Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:17:37 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 21 6 948 633 106 Max 30 22 7 951 660 113 Sum 1015 779 237 34189 23235 3925 bravais-lattice index = 14 lattice parameter (alat) = 6.3994 a.u. unit-cell volume = 550.9791 (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)= 6.399368 celldm(2)= 1.312485 celldm(3)= 1.601878 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 1.312485 0.000000 ) a(3) = ( 0.000000 0.000000 1.601878 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.761913 -0.000000 ) b(3) = ( 0.000000 0.000000 0.624267 ) PseudoPot. # 1 for S read from file: /users/gautes/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: /users/gautes/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 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E 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 0.0105821 -0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 0.0211643 -0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 0.0317464 -0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0423285 -0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0529106 -0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0634928 -0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.0740749 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.0846570 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0952392 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.1058213 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.1164034 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.1269856 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.1375677 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1481498 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.1587319 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.1693141 -0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.1798962 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.1904783 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.2010605 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2116426 -0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2222247 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.2328069 -0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.2433890 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.2539711 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.2645532 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.2751354 -0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.2857175 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.2962996 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.3068818 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.3174639 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.3280460 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.3386281 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.3492103 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.3597924 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.3703745 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.3809567 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.3809567 -0.0000000), wk = 0.0021739 k( 87) = ( 0.4893617 0.3809567 -0.0000000), wk = 0.0021739 k( 88) = ( 0.4787234 0.3809567 -0.0000000), wk = 0.0021739 k( 89) = ( 0.4680851 0.3809567 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4574468 0.3809567 -0.0000000), wk = 0.0021739 k( 91) = ( 0.4468085 0.3809567 -0.0000000), wk = 0.0021739 k( 92) = ( 0.4361702 0.3809567 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4255319 0.3809567 -0.0000000), wk = 0.0021739 k( 94) = ( 0.4148936 0.3809567 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4042553 0.3809567 -0.0000000), wk = 0.0021739 k( 96) = ( 0.3936170 0.3809567 -0.0000000), wk = 0.0021739 k( 97) = ( 0.3829787 0.3809567 -0.0000000), wk = 0.0021739 k( 98) = ( 0.3723404 0.3809567 -0.0000000), wk = 0.0021739 k( 99) = ( 0.3617021 0.3809567 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3510638 0.3809567 -0.0000000), wk = 0.0021739 k( 101) = ( 0.3404255 0.3809567 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3297872 0.3809567 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3191489 0.3809567 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3085106 0.3809567 -0.0000000), wk = 0.0021739 k( 105) = ( 0.2978723 0.3809567 -0.0000000), wk = 0.0021739 k( 106) = ( 0.2872340 0.3809567 -0.0000000), wk = 0.0021739 k( 107) = ( 0.2765957 0.3809567 -0.0000000), wk = 0.0021739 k( 108) = ( 0.2659574 0.3809567 -0.0000000), wk = 0.0021739 k( 109) = ( 0.2553191 0.3809567 -0.0000000), wk = 0.0021739 k( 110) = ( 0.2446809 0.3809567 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2340425 0.3809567 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2234043 0.3809567 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2127660 0.3809567 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2021277 0.3809567 -0.0000000), wk = 0.0021739 k( 115) = ( 0.1914894 0.3809567 -0.0000000), wk = 0.0021739 k( 116) = ( 0.1808511 0.3809567 -0.0000000), wk = 0.0021739 k( 117) = ( 0.1702128 0.3809567 -0.0000000), wk = 0.0021739 k( 118) = ( 0.1595745 0.3809567 -0.0000000), wk = 0.0021739 k( 119) = ( 0.1489362 0.3809567 -0.0000000), wk = 0.0021739 k( 120) = ( 0.1382979 0.3809567 -0.0000000), wk = 0.0021739 k( 121) = ( 0.1276596 0.3809567 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1170213 0.3809567 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1063830 0.3809567 -0.0000000), wk = 0.0021739 k( 124) = ( 0.0957447 0.3809567 -0.0000000), wk = 0.0021739 k( 125) = ( 0.0851064 0.3809567 -0.0000000), wk = 0.0021739 k( 126) = ( 0.0744681 0.3809567 -0.0000000), wk = 0.0021739 k( 127) = ( 0.0638298 0.3809567 -0.0000000), wk = 0.0021739 k( 128) = ( 0.0531915 0.3809567 -0.0000000), wk = 0.0021739 k( 129) = ( 0.0425532 0.3809567 -0.0000000), wk = 0.0021739 k( 130) = ( 0.0319149 0.3809567 -0.0000000), wk = 0.0021739 k( 131) = ( 0.0212766 0.3809567 -0.0000000), wk = 0.0021739 k( 132) = ( 0.0106383 0.3809567 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0000000 0.3809567 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0000000 0.3809567 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0000000 0.3703745 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0000000 0.3597924 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0000000 0.3492103 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0000000 0.3386281 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0000000 0.3280460 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0000000 0.3174639 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0000000 0.3068818 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.2962996 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.2857175 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.2751354 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.2645532 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.2539711 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.2433890 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.2328069 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2222247 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2116426 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2010605 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.1904783 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.1798962 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.1693141 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.1587319 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1481498 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1375677 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1269856 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1164034 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1058213 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.0952392 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.0846570 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0740749 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0634928 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0529106 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0423285 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0317464 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0211643 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0105821 -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 0.0107632), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.0215265), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0322897), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0430529), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0538161), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0645794), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0753426), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0861058), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0968691), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.1076323), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.1183955), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.1291587), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.1399220), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.1506852), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.1614484), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.1722116), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1829749), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1937381), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.2045013), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.2152646), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.2260278), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.2367910), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.2475542), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.2583175), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.2690807), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.2798439), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.2906072), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3013704), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3121336), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3121336), wk = 0.0021739 k( 202) = ( 0.0106383 -0.0000000 0.3121336), wk = 0.0021739 k( 203) = ( 0.0212766 -0.0000000 0.3121336), wk = 0.0021739 k( 204) = ( 0.0319149 -0.0000000 0.3121336), wk = 0.0021739 k( 205) = ( 0.0425532 -0.0000000 0.3121336), wk = 0.0021739 k( 206) = ( 0.0531915 -0.0000000 0.3121336), wk = 0.0021739 k( 207) = ( 0.0638298 -0.0000000 0.3121336), wk = 0.0021739 k( 208) = ( 0.0744681 -0.0000000 0.3121336), wk = 0.0021739 k( 209) = ( 0.0851064 -0.0000000 0.3121336), wk = 0.0021739 k( 210) = ( 0.0957447 -0.0000000 0.3121336), wk = 0.0021739 k( 211) = ( 0.1063830 -0.0000000 0.3121336), wk = 0.0021739 k( 212) = ( 0.1170213 -0.0000000 0.3121336), wk = 0.0021739 k( 213) = ( 0.1276596 -0.0000000 0.3121336), wk = 0.0021739 k( 214) = ( 0.1382979 -0.0000000 0.3121336), wk = 0.0021739 k( 215) = ( 0.1489362 -0.0000000 0.3121336), wk = 0.0021739 k( 216) = ( 0.1595745 -0.0000000 0.3121336), wk = 0.0021739 k( 217) = ( 0.1702128 -0.0000000 0.3121336), wk = 0.0021739 k( 218) = ( 0.1808511 -0.0000000 0.3121336), wk = 0.0021739 k( 219) = ( 0.1914894 -0.0000000 0.3121336), wk = 0.0021739 k( 220) = ( 0.2021277 -0.0000000 0.3121336), wk = 0.0021739 k( 221) = ( 0.2127660 -0.0000000 0.3121336), wk = 0.0021739 k( 222) = ( 0.2234043 -0.0000000 0.3121336), wk = 0.0021739 k( 223) = ( 0.2340425 -0.0000000 0.3121336), wk = 0.0021739 k( 224) = ( 0.2446809 -0.0000000 0.3121336), wk = 0.0021739 k( 225) = ( 0.2553191 -0.0000000 0.3121336), wk = 0.0021739 k( 226) = ( 0.2659574 -0.0000000 0.3121336), wk = 0.0021739 k( 227) = ( 0.2765957 -0.0000000 0.3121336), wk = 0.0021739 k( 228) = ( 0.2872340 -0.0000000 0.3121336), wk = 0.0021739 k( 229) = ( 0.2978723 -0.0000000 0.3121336), wk = 0.0021739 k( 230) = ( 0.3085106 -0.0000000 0.3121336), wk = 0.0021739 k( 231) = ( 0.3191489 -0.0000000 0.3121336), wk = 0.0021739 k( 232) = ( 0.3297872 -0.0000000 0.3121336), wk = 0.0021739 k( 233) = ( 0.3404255 -0.0000000 0.3121336), wk = 0.0021739 k( 234) = ( 0.3510638 -0.0000000 0.3121336), wk = 0.0021739 k( 235) = ( 0.3617021 -0.0000000 0.3121336), wk = 0.0021739 k( 236) = ( 0.3723404 -0.0000000 0.3121336), wk = 0.0021739 k( 237) = ( 0.3829787 -0.0000000 0.3121336), wk = 0.0021739 k( 238) = ( 0.3936170 -0.0000000 0.3121336), wk = 0.0021739 k( 239) = ( 0.4042553 -0.0000000 0.3121336), wk = 0.0021739 k( 240) = ( 0.4148936 -0.0000000 0.3121336), wk = 0.0021739 k( 241) = ( 0.4255319 -0.0000000 0.3121336), wk = 0.0021739 k( 242) = ( 0.4361702 -0.0000000 0.3121336), wk = 0.0021739 k( 243) = ( 0.4468085 -0.0000000 0.3121336), wk = 0.0021739 k( 244) = ( 0.4574468 -0.0000000 0.3121336), wk = 0.0021739 k( 245) = ( 0.4680851 -0.0000000 0.3121336), wk = 0.0021739 k( 246) = ( 0.4787234 -0.0000000 0.3121336), wk = 0.0021739 k( 247) = ( 0.4893617 -0.0000000 0.3121336), wk = 0.0021739 k( 248) = ( 0.5000000 -0.0000000 0.3121336), wk = 0.0021739 k( 249) = ( 0.5000000 -0.0000000 0.3121336), wk = 0.0021739 k( 250) = ( 0.5000000 0.0105821 0.3121336), wk = 0.0021739 k( 251) = ( 0.5000000 0.0211643 0.3121336), wk = 0.0021739 k( 252) = ( 0.5000000 0.0317464 0.3121336), wk = 0.0021739 k( 253) = ( 0.5000000 0.0423285 0.3121336), wk = 0.0021739 k( 254) = ( 0.5000000 0.0529106 0.3121336), wk = 0.0021739 k( 255) = ( 0.5000000 0.0634928 0.3121336), wk = 0.0021739 k( 256) = ( 0.5000000 0.0740749 0.3121336), wk = 0.0021739 k( 257) = ( 0.5000000 0.0846570 0.3121336), wk = 0.0021739 k( 258) = ( 0.5000000 0.0952392 0.3121336), wk = 0.0021739 k( 259) = ( 0.5000000 0.1058213 0.3121336), wk = 0.0021739 k( 260) = ( 0.5000000 0.1164034 0.3121336), wk = 0.0021739 k( 261) = ( 0.5000000 0.1269856 0.3121336), wk = 0.0021739 k( 262) = ( 0.5000000 0.1375677 0.3121336), wk = 0.0021739 k( 263) = ( 0.5000000 0.1481498 0.3121336), wk = 0.0021739 k( 264) = ( 0.5000000 0.1587319 0.3121336), wk = 0.0021739 k( 265) = ( 0.5000000 0.1693141 0.3121336), wk = 0.0021739 k( 266) = ( 0.5000000 0.1798962 0.3121336), wk = 0.0021739 k( 267) = ( 0.5000000 0.1904783 0.3121336), wk = 0.0021739 k( 268) = ( 0.5000000 0.2010605 0.3121336), wk = 0.0021739 k( 269) = ( 0.5000000 0.2116426 0.3121336), wk = 0.0021739 k( 270) = ( 0.5000000 0.2222247 0.3121336), wk = 0.0021739 k( 271) = ( 0.5000000 0.2328069 0.3121336), wk = 0.0021739 k( 272) = ( 0.5000000 0.2433890 0.3121336), wk = 0.0021739 k( 273) = ( 0.5000000 0.2539711 0.3121336), wk = 0.0021739 k( 274) = ( 0.5000000 0.2645532 0.3121336), wk = 0.0021739 k( 275) = ( 0.5000000 0.2751354 0.3121336), wk = 0.0021739 k( 276) = ( 0.5000000 0.2857175 0.3121336), wk = 0.0021739 k( 277) = ( 0.5000000 0.2962996 0.3121336), wk = 0.0021739 k( 278) = ( 0.5000000 0.3068818 0.3121336), wk = 0.0021739 k( 279) = ( 0.5000000 0.3174639 0.3121336), wk = 0.0021739 k( 280) = ( 0.5000000 0.3280460 0.3121336), wk = 0.0021739 k( 281) = ( 0.5000000 0.3386281 0.3121336), wk = 0.0021739 k( 282) = ( 0.5000000 0.3492103 0.3121336), wk = 0.0021739 k( 283) = ( 0.5000000 0.3597924 0.3121336), wk = 0.0021739 k( 284) = ( 0.5000000 0.3703745 0.3121336), wk = 0.0021739 k( 285) = ( 0.5000000 0.3809567 0.3121336), wk = 0.0021739 k( 286) = ( 0.5000000 0.3809567 0.3121336), wk = 0.0021739 k( 287) = ( 0.4893617 0.3809567 0.3121336), wk = 0.0021739 k( 288) = ( 0.4787234 0.3809567 0.3121336), wk = 0.0021739 k( 289) = ( 0.4680851 0.3809567 0.3121336), wk = 0.0021739 k( 290) = ( 0.4574468 0.3809567 0.3121336), wk = 0.0021739 k( 291) = ( 0.4468085 0.3809567 0.3121336), wk = 0.0021739 k( 292) = ( 0.4361702 0.3809567 0.3121336), wk = 0.0021739 k( 293) = ( 0.4255319 0.3809567 0.3121336), wk = 0.0021739 k( 294) = ( 0.4148936 0.3809567 0.3121336), wk = 0.0021739 k( 295) = ( 0.4042553 0.3809567 0.3121336), wk = 0.0021739 k( 296) = ( 0.3936170 0.3809567 0.3121336), wk = 0.0021739 k( 297) = ( 0.3829787 0.3809567 0.3121336), wk = 0.0021739 k( 298) = ( 0.3723404 0.3809567 0.3121336), wk = 0.0021739 k( 299) = ( 0.3617021 0.3809567 0.3121336), wk = 0.0021739 k( 300) = ( 0.3510638 0.3809567 0.3121336), wk = 0.0021739 k( 301) = ( 0.3404255 0.3809567 0.3121336), wk = 0.0021739 k( 302) = ( 0.3297872 0.3809567 0.3121336), wk = 0.0021739 k( 303) = ( 0.3191489 0.3809567 0.3121336), wk = 0.0021739 k( 304) = ( 0.3085106 0.3809567 0.3121336), wk = 0.0021739 k( 305) = ( 0.2978723 0.3809567 0.3121336), wk = 0.0021739 k( 306) = ( 0.2872340 0.3809567 0.3121336), wk = 0.0021739 k( 307) = ( 0.2765957 0.3809567 0.3121336), wk = 0.0021739 k( 308) = ( 0.2659574 0.3809567 0.3121336), wk = 0.0021739 k( 309) = ( 0.2553191 0.3809567 0.3121336), wk = 0.0021739 k( 310) = ( 0.2446809 0.3809567 0.3121336), wk = 0.0021739 k( 311) = ( 0.2340425 0.3809567 0.3121336), wk = 0.0021739 k( 312) = ( 0.2234043 0.3809567 0.3121336), wk = 0.0021739 k( 313) = ( 0.2127660 0.3809567 0.3121336), wk = 0.0021739 k( 314) = ( 0.2021277 0.3809567 0.3121336), wk = 0.0021739 k( 315) = ( 0.1914894 0.3809567 0.3121336), wk = 0.0021739 k( 316) = ( 0.1808511 0.3809567 0.3121336), wk = 0.0021739 k( 317) = ( 0.1702128 0.3809567 0.3121336), wk = 0.0021739 k( 318) = ( 0.1595745 0.3809567 0.3121336), wk = 0.0021739 k( 319) = ( 0.1489362 0.3809567 0.3121336), wk = 0.0021739 k( 320) = ( 0.1382979 0.3809567 0.3121336), wk = 0.0021739 k( 321) = ( 0.1276596 0.3809567 0.3121336), wk = 0.0021739 k( 322) = ( 0.1170213 0.3809567 0.3121336), wk = 0.0021739 k( 323) = ( 0.1063830 0.3809567 0.3121336), wk = 0.0021739 k( 324) = ( 0.0957447 0.3809567 0.3121336), wk = 0.0021739 k( 325) = ( 0.0851064 0.3809567 0.3121336), wk = 0.0021739 k( 326) = ( 0.0744681 0.3809567 0.3121336), wk = 0.0021739 k( 327) = ( 0.0638298 0.3809567 0.3121336), wk = 0.0021739 k( 328) = ( 0.0531915 0.3809567 0.3121336), wk = 0.0021739 k( 329) = ( 0.0425532 0.3809567 0.3121336), wk = 0.0021739 k( 330) = ( 0.0319149 0.3809567 0.3121336), wk = 0.0021739 k( 331) = ( 0.0212766 0.3809567 0.3121336), wk = 0.0021739 k( 332) = ( 0.0106383 0.3809567 0.3121336), wk = 0.0021739 k( 333) = ( 0.0000000 0.3809567 0.3121336), wk = 0.0021739 k( 334) = ( 0.0000000 0.3809567 0.3121336), wk = 0.0021739 k( 335) = ( 0.0000000 0.3703745 0.3121336), wk = 0.0021739 k( 336) = ( 0.0000000 0.3597924 0.3121336), wk = 0.0021739 k( 337) = ( 0.0000000 0.3492103 0.3121336), wk = 0.0021739 k( 338) = ( 0.0000000 0.3386281 0.3121336), wk = 0.0021739 k( 339) = ( 0.0000000 0.3280460 0.3121336), wk = 0.0021739 k( 340) = ( 0.0000000 0.3174639 0.3121336), wk = 0.0021739 k( 341) = ( 0.0000000 0.3068818 0.3121336), wk = 0.0021739 k( 342) = ( 0.0000000 0.2962996 0.3121336), wk = 0.0021739 k( 343) = ( 0.0000000 0.2857175 0.3121336), wk = 0.0021739 k( 344) = ( 0.0000000 0.2751354 0.3121336), wk = 0.0021739 k( 345) = ( 0.0000000 0.2645532 0.3121336), wk = 0.0021739 k( 346) = ( 0.0000000 0.2539711 0.3121336), wk = 0.0021739 k( 347) = ( 0.0000000 0.2433890 0.3121336), wk = 0.0021739 k( 348) = ( 0.0000000 0.2328069 0.3121336), wk = 0.0021739 k( 349) = ( 0.0000000 0.2222247 0.3121336), wk = 0.0021739 k( 350) = ( 0.0000000 0.2116426 0.3121336), wk = 0.0021739 k( 351) = ( 0.0000000 0.2010605 0.3121336), wk = 0.0021739 k( 352) = ( 0.0000000 0.1904783 0.3121336), wk = 0.0021739 k( 353) = ( 0.0000000 0.1798962 0.3121336), wk = 0.0021739 k( 354) = ( 0.0000000 0.1693141 0.3121336), wk = 0.0021739 k( 355) = ( 0.0000000 0.1587319 0.3121336), wk = 0.0021739 k( 356) = ( 0.0000000 0.1481498 0.3121336), wk = 0.0021739 k( 357) = ( 0.0000000 0.1375677 0.3121336), wk = 0.0021739 k( 358) = ( 0.0000000 0.1269856 0.3121336), wk = 0.0021739 k( 359) = ( 0.0000000 0.1164034 0.3121336), wk = 0.0021739 k( 360) = ( 0.0000000 0.1058213 0.3121336), wk = 0.0021739 k( 361) = ( 0.0000000 0.0952392 0.3121336), wk = 0.0021739 k( 362) = ( 0.0000000 0.0846570 0.3121336), wk = 0.0021739 k( 363) = ( 0.0000000 0.0740749 0.3121336), wk = 0.0021739 k( 364) = ( 0.0000000 0.0634928 0.3121336), wk = 0.0021739 k( 365) = ( 0.0000000 0.0529106 0.3121336), wk = 0.0021739 k( 366) = ( 0.0000000 0.0423285 0.3121336), wk = 0.0021739 k( 367) = ( 0.0000000 0.0317464 0.3121336), wk = 0.0021739 k( 368) = ( 0.0000000 0.0211643 0.3121336), wk = 0.0021739 k( 369) = ( 0.0000000 0.0105821 0.3121336), wk = 0.0021739 k( 370) = ( 0.0000000 0.0000000 0.3121336), wk = 0.0021739 k( 371) = ( 0.0000000 0.3809567 -0.0000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.3809567 0.0107632), wk = 0.0021739 k( 373) = ( 0.0000000 0.3809567 0.0215265), wk = 0.0021739 k( 374) = ( 0.0000000 0.3809567 0.0322897), wk = 0.0021739 k( 375) = ( 0.0000000 0.3809567 0.0430529), wk = 0.0021739 k( 376) = ( 0.0000000 0.3809567 0.0538161), wk = 0.0021739 k( 377) = ( 0.0000000 0.3809567 0.0645794), wk = 0.0021739 k( 378) = ( 0.0000000 0.3809567 0.0753426), wk = 0.0021739 k( 379) = ( 0.0000000 0.3809567 0.0861058), wk = 0.0021739 k( 380) = ( 0.0000000 0.3809567 0.0968691), wk = 0.0021739 k( 381) = ( 0.0000000 0.3809567 0.1076323), wk = 0.0021739 k( 382) = ( 0.0000000 0.3809567 0.1183955), wk = 0.0021739 k( 383) = ( 0.0000000 0.3809567 0.1291587), wk = 0.0021739 k( 384) = ( 0.0000000 0.3809567 0.1399220), wk = 0.0021739 k( 385) = ( 0.0000000 0.3809567 0.1506852), wk = 0.0021739 k( 386) = ( 0.0000000 0.3809567 0.1614484), wk = 0.0021739 k( 387) = ( 0.0000000 0.3809567 0.1722116), wk = 0.0021739 k( 388) = ( 0.0000000 0.3809567 0.1829749), wk = 0.0021739 k( 389) = ( 0.0000000 0.3809567 0.1937381), wk = 0.0021739 k( 390) = ( 0.0000000 0.3809567 0.2045013), wk = 0.0021739 k( 391) = ( 0.0000000 0.3809567 0.2152646), wk = 0.0021739 k( 392) = ( 0.0000000 0.3809567 0.2260278), wk = 0.0021739 k( 393) = ( 0.0000000 0.3809567 0.2367910), wk = 0.0021739 k( 394) = ( 0.0000000 0.3809567 0.2475542), wk = 0.0021739 k( 395) = ( 0.0000000 0.3809567 0.2583175), wk = 0.0021739 k( 396) = ( 0.0000000 0.3809567 0.2690807), wk = 0.0021739 k( 397) = ( 0.0000000 0.3809567 0.2798439), wk = 0.0021739 k( 398) = ( 0.0000000 0.3809567 0.2906072), wk = 0.0021739 k( 399) = ( 0.0000000 0.3809567 0.3013704), wk = 0.0021739 k( 400) = ( 0.0000000 0.3809567 0.3121336), wk = 0.0021739 k( 401) = ( 0.5000000 -0.0000000 0.3121336), wk = 0.0021739 k( 402) = ( 0.5000000 -0.0000000 0.3013704), wk = 0.0021739 k( 403) = ( 0.5000000 -0.0000000 0.2906072), wk = 0.0021739 k( 404) = ( 0.5000000 -0.0000000 0.2798439), wk = 0.0021739 k( 405) = ( 0.5000000 -0.0000000 0.2690807), wk = 0.0021739 k( 406) = ( 0.5000000 -0.0000000 0.2583175), wk = 0.0021739 k( 407) = ( 0.5000000 -0.0000000 0.2475542), wk = 0.0021739 k( 408) = ( 0.5000000 -0.0000000 0.2367910), wk = 0.0021739 k( 409) = ( 0.5000000 -0.0000000 0.2260278), wk = 0.0021739 k( 410) = ( 0.5000000 -0.0000000 0.2152646), wk = 0.0021739 k( 411) = ( 0.5000000 -0.0000000 0.2045013), wk = 0.0021739 k( 412) = ( 0.5000000 -0.0000000 0.1937381), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.1829749), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.1722116), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.1614484), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.1506852), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.1399220), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.1291587), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.1183955), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.1076323), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.0968691), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.0861058), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.0753426), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.0645794), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.0538161), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.0430529), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0322897), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0215265), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0107632), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 431) = ( 0.5000000 0.3809567 -0.0000000), wk = 0.0021739 k( 432) = ( 0.5000000 0.3809567 0.0107632), wk = 0.0021739 k( 433) = ( 0.5000000 0.3809567 0.0215265), wk = 0.0021739 k( 434) = ( 0.5000000 0.3809567 0.0322897), wk = 0.0021739 k( 435) = ( 0.5000000 0.3809567 0.0430529), wk = 0.0021739 k( 436) = ( 0.5000000 0.3809567 0.0538161), wk = 0.0021739 k( 437) = ( 0.5000000 0.3809567 0.0645794), wk = 0.0021739 k( 438) = ( 0.5000000 0.3809567 0.0753426), wk = 0.0021739 k( 439) = ( 0.5000000 0.3809567 0.0861058), wk = 0.0021739 k( 440) = ( 0.5000000 0.3809567 0.0968691), wk = 0.0021739 k( 441) = ( 0.5000000 0.3809567 0.1076323), wk = 0.0021739 k( 442) = ( 0.5000000 0.3809567 0.1183955), wk = 0.0021739 k( 443) = ( 0.5000000 0.3809567 0.1291587), wk = 0.0021739 k( 444) = ( 0.5000000 0.3809567 0.1399220), wk = 0.0021739 k( 445) = ( 0.5000000 0.3809567 0.1506852), wk = 0.0021739 k( 446) = ( 0.5000000 0.3809567 0.1614484), wk = 0.0021739 k( 447) = ( 0.5000000 0.3809567 0.1722116), wk = 0.0021739 k( 448) = ( 0.5000000 0.3809567 0.1829749), wk = 0.0021739 k( 449) = ( 0.5000000 0.3809567 0.1937381), wk = 0.0021739 k( 450) = ( 0.5000000 0.3809567 0.2045013), wk = 0.0021739 k( 451) = ( 0.5000000 0.3809567 0.2152646), wk = 0.0021739 k( 452) = ( 0.5000000 0.3809567 0.2260278), wk = 0.0021739 k( 453) = ( 0.5000000 0.3809567 0.2367910), wk = 0.0021739 k( 454) = ( 0.5000000 0.3809567 0.2475542), wk = 0.0021739 k( 455) = ( 0.5000000 0.3809567 0.2583175), wk = 0.0021739 k( 456) = ( 0.5000000 0.3809567 0.2690807), wk = 0.0021739 k( 457) = ( 0.5000000 0.3809567 0.2798439), wk = 0.0021739 k( 458) = ( 0.5000000 0.3809567 0.2906072), wk = 0.0021739 k( 459) = ( 0.5000000 0.3809567 0.3013704), wk = 0.0021739 k( 460) = ( 0.5000000 0.3809567 0.3121336), 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 0.2068966), 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 0.2931035), 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 0.2068966), 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 0.2931035), 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 0.2931035), 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 0.2068966), 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 0.2068966), 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: 34189 G-vectors FFT dimensions: ( 32, 45, 54) Smooth grid: 23235 G-vectors FFT dimensions: ( 27, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 176, 48) NL pseudopotentials 0.27 Mb ( 88, 204) Each V/rho on FFT grid 0.04 Mb ( 2880) Each G-vector array 0.01 Mb ( 950) G-vector shells 0.00 Mb ( 489) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 176, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) 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 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.7 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.5 secs Computing kpt #: 20 total cpu time spent up to now is 9.9 secs Computing kpt #: 21 total cpu time spent up to now is 10.3 secs Computing kpt #: 22 total cpu time spent up to now is 10.6 secs Computing kpt #: 23 total cpu time spent up to now is 11.0 secs Computing kpt #: 24 total cpu time spent up to now is 11.4 secs Computing kpt #: 25 total cpu time spent up to now is 11.8 secs Computing kpt #: 26 total cpu time spent up to now is 12.2 secs Computing kpt #: 27 total cpu time spent up to now is 12.6 secs Computing kpt #: 28 total cpu time spent up to now is 13.0 secs Computing kpt #: 29 total cpu time spent up to now is 13.4 secs Computing kpt #: 30 total cpu time spent up to now is 13.8 secs Computing kpt #: 31 total cpu time spent up to now is 14.3 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 15.2 secs Computing kpt #: 34 total cpu time spent up to now is 15.7 secs Computing kpt #: 35 total cpu time spent up to now is 16.2 secs Computing kpt #: 36 total cpu time spent up to now is 16.8 secs Computing kpt #: 37 total cpu time spent up to now is 17.2 secs Computing kpt #: 38 total cpu time spent up to now is 17.7 secs Computing kpt #: 39 total cpu time spent up to now is 18.2 secs Computing kpt #: 40 total cpu time spent up to now is 18.5 secs Computing kpt #: 41 total cpu time spent up to now is 18.9 secs Computing kpt #: 42 total cpu time spent up to now is 19.3 secs Computing kpt #: 43 total cpu time spent up to now is 19.7 secs Computing kpt #: 44 total cpu time spent up to now is 20.0 secs Computing kpt #: 45 total cpu time spent up to now is 20.4 secs Computing kpt #: 46 total cpu time spent up to now is 20.7 secs Computing kpt #: 47 total cpu time spent up to now is 21.1 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 21.8 secs Computing kpt #: 50 total cpu time spent up to now is 22.2 secs Computing kpt #: 51 total cpu time spent up to now is 22.5 secs Computing kpt #: 52 total cpu time spent up to now is 22.9 secs Computing kpt #: 53 total cpu time spent up to now is 23.3 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 24.0 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.1 secs Computing kpt #: 59 total cpu time spent up to now is 25.4 secs Computing kpt #: 60 total cpu time spent up to now is 25.8 secs Computing kpt #: 61 total cpu time spent up to now is 26.2 secs Computing kpt #: 62 total cpu time spent up to now is 26.5 secs Computing kpt #: 63 total cpu time spent up to now is 26.9 secs Computing kpt #: 64 total cpu time spent up to now is 27.3 secs Computing kpt #: 65 total cpu time spent up to now is 27.7 secs Computing kpt #: 66 total cpu time spent up to now is 28.0 secs Computing kpt #: 67 total cpu time spent up to now is 28.4 secs Computing kpt #: 68 total cpu time spent up to now is 28.8 secs Computing kpt #: 69 total cpu time spent up to now is 29.1 secs Computing kpt #: 70 total cpu time spent up to now is 29.5 secs Computing kpt #: 71 total cpu time spent up to now is 29.8 secs Computing kpt #: 72 total cpu time spent up to now is 30.2 secs Computing kpt #: 73 total cpu time spent up to now is 30.5 secs Computing kpt #: 74 total cpu time spent up to now is 30.8 secs Computing kpt #: 75 total cpu time spent up to now is 31.1 secs Computing kpt #: 76 total cpu time spent up to now is 31.5 secs Computing kpt #: 77 total cpu time spent up to now is 31.8 secs Computing kpt #: 78 total cpu time spent up to now is 32.1 secs Computing kpt #: 79 total cpu time spent up to now is 32.4 secs Computing kpt #: 80 total cpu time spent up to now is 32.8 secs Computing kpt #: 81 total cpu time spent up to now is 33.1 secs Computing kpt #: 82 total cpu time spent up to now is 33.4 secs Computing kpt #: 83 total cpu time spent up to now is 33.7 secs Computing kpt #: 84 total cpu time spent up to now is 34.0 secs Computing kpt #: 85 total cpu time spent up to now is 34.4 secs Computing kpt #: 86 total cpu time spent up to now is 34.7 secs Computing kpt #: 87 total cpu time spent up to now is 35.0 secs Computing kpt #: 88 total cpu time spent up to now is 35.3 secs Computing kpt #: 89 total cpu time spent up to now is 35.6 secs Computing kpt #: 90 total cpu time spent up to now is 36.0 secs Computing kpt #: 91 total cpu time spent up to now is 36.3 secs Computing kpt #: 92 total cpu time spent up to now is 36.7 secs Computing kpt #: 93 total cpu time spent up to now is 37.0 secs Computing kpt #: 94 total cpu time spent up to now is 37.4 secs Computing kpt #: 95 total cpu time spent up to now is 37.7 secs Computing kpt #: 96 total cpu time spent up to now is 38.1 secs Computing kpt #: 97 total cpu time spent up to now is 38.5 secs Computing kpt #: 98 total cpu time spent up to now is 38.8 secs Computing kpt #: 99 total cpu time spent up to now is 39.2 secs Computing kpt #: 100 total cpu time spent up to now is 39.5 secs Computing kpt #: 101 total cpu time spent up to now is 39.9 secs Computing kpt #: 102 total cpu time spent up to now is 40.3 secs Computing kpt #: 103 total cpu time spent up to now is 40.7 secs Computing kpt #: 104 total cpu time spent up to now is 41.0 secs Computing kpt #: 105 total cpu time spent up to now is 41.4 secs Computing kpt #: 106 total cpu time spent up to now is 41.8 secs Computing kpt #: 107 total cpu time spent up to now is 42.1 secs Computing kpt #: 108 total cpu time spent up to now is 42.5 secs Computing kpt #: 109 total cpu time spent up to now is 42.9 secs Computing kpt #: 110 total cpu time spent up to now is 43.2 secs Computing kpt #: 111 total cpu time spent up to now is 43.6 secs Computing kpt #: 112 total cpu time spent up to now is 44.0 secs Computing kpt #: 113 total cpu time spent up to now is 44.3 secs Computing kpt #: 114 total cpu time spent up to now is 44.7 secs Computing kpt #: 115 total cpu time spent up to now is 45.1 secs Computing kpt #: 116 total cpu time spent up to now is 45.4 secs Computing kpt #: 117 total cpu time spent up to now is 45.8 secs Computing kpt #: 118 total cpu time spent up to now is 46.2 secs Computing kpt #: 119 total cpu time spent up to now is 46.6 secs Computing kpt #: 120 total cpu time spent up to now is 47.0 secs Computing kpt #: 121 total cpu time spent up to now is 47.3 secs Computing kpt #: 122 total cpu time spent up to now is 47.7 secs Computing kpt #: 123 total cpu time spent up to now is 48.1 secs Computing kpt #: 124 total cpu time spent up to now is 48.5 secs Computing kpt #: 125 total cpu time spent up to now is 48.9 secs Computing kpt #: 126 total cpu time spent up to now is 49.3 secs Computing kpt #: 127 total cpu time spent up to now is 49.7 secs Computing kpt #: 128 total cpu time spent up to now is 50.2 secs Computing kpt #: 129 total cpu time spent up to now is 50.6 secs Computing kpt #: 130 total cpu time spent up to now is 51.1 secs Computing kpt #: 131 total cpu time spent up to now is 51.5 secs Computing kpt #: 132 total cpu time spent up to now is 51.9 secs Computing kpt #: 133 total cpu time spent up to now is 52.4 secs Computing kpt #: 134 total cpu time spent up to now is 52.8 secs Computing kpt #: 135 total cpu time spent up to now is 53.1 secs Computing kpt #: 136 total cpu time spent up to now is 53.7 secs Computing kpt #: 137 total cpu time spent up to now is 54.1 secs Computing kpt #: 138 total cpu time spent up to now is 54.6 secs Computing kpt #: 139 total cpu time spent up to now is 55.1 secs Computing kpt #: 140 total cpu time spent up to now is 55.7 secs Computing kpt #: 141 total cpu time spent up to now is 56.3 secs Computing kpt #: 142 total cpu time spent up to now is 56.8 secs Computing kpt #: 143 total cpu time spent up to now is 57.3 secs Computing kpt #: 144 total cpu time spent up to now is 57.9 secs Computing kpt #: 145 total cpu time spent up to now is 58.3 secs Computing kpt #: 146 total cpu time spent up to now is 58.6 secs Computing kpt #: 147 total cpu time spent up to now is 59.0 secs Computing kpt #: 148 total cpu time spent up to now is 59.4 secs Computing kpt #: 149 total cpu time spent up to now is 59.8 secs Computing kpt #: 150 total cpu time spent up to now is 60.2 secs Computing kpt #: 151 total cpu time spent up to now is 60.5 secs Computing kpt #: 152 total cpu time spent up to now is 60.9 secs Computing kpt #: 153 total cpu time spent up to now is 61.3 secs Computing kpt #: 154 total cpu time spent up to now is 61.7 secs Computing kpt #: 155 total cpu time spent up to now is 62.0 secs Computing kpt #: 156 total cpu time spent up to now is 62.4 secs Computing kpt #: 157 total cpu time spent up to now is 62.8 secs Computing kpt #: 158 total cpu time spent up to now is 63.2 secs Computing kpt #: 159 total cpu time spent up to now is 63.6 secs Computing kpt #: 160 total cpu time spent up to now is 64.1 secs Computing kpt #: 161 total cpu time spent up to now is 64.6 secs Computing kpt #: 162 total cpu time spent up to now is 65.0 secs Computing kpt #: 163 total cpu time spent up to now is 65.4 secs Computing kpt #: 164 total cpu time spent up to now is 65.8 secs Computing kpt #: 165 total cpu time spent up to now is 66.1 secs Computing kpt #: 166 total cpu time spent up to now is 66.5 secs Computing kpt #: 167 total cpu time spent up to now is 66.9 secs Computing kpt #: 168 total cpu time spent up to now is 67.3 secs Computing kpt #: 169 total cpu time spent up to now is 67.7 secs Computing kpt #: 170 total cpu time spent up to now is 68.1 secs Computing kpt #: 171 total cpu time spent up to now is 68.4 secs Computing kpt #: 172 total cpu time spent up to now is 68.8 secs Computing kpt #: 173 total cpu time spent up to now is 69.2 secs Computing kpt #: 174 total cpu time spent up to now is 69.5 secs Computing kpt #: 175 total cpu time spent up to now is 69.9 secs Computing kpt #: 176 total cpu time spent up to now is 70.3 secs Computing kpt #: 177 total cpu time spent up to now is 70.7 secs Computing kpt #: 178 total cpu time spent up to now is 71.2 secs Computing kpt #: 179 total cpu time spent up to now is 71.6 secs Computing kpt #: 180 total cpu time spent up to now is 72.0 secs Computing kpt #: 181 total cpu time spent up to now is 72.4 secs Computing kpt #: 182 total cpu time spent up to now is 72.8 secs Computing kpt #: 183 total cpu time spent up to now is 73.2 secs Computing kpt #: 184 total cpu time spent up to now is 73.7 secs Computing kpt #: 185 total cpu time spent up to now is 74.2 secs Computing kpt #: 186 total cpu time spent up to now is 74.7 secs Computing kpt #: 187 total cpu time spent up to now is 75.1 secs Computing kpt #: 188 total cpu time spent up to now is 75.5 secs Computing kpt #: 189 total cpu time spent up to now is 75.9 secs Computing kpt #: 190 total cpu time spent up to now is 76.4 secs Computing kpt #: 191 total cpu time spent up to now is 76.8 secs Computing kpt #: 192 total cpu time spent up to now is 77.2 secs Computing kpt #: 193 total cpu time spent up to now is 77.6 secs Computing kpt #: 194 total cpu time spent up to now is 78.0 secs Computing kpt #: 195 total cpu time spent up to now is 78.3 secs Computing kpt #: 196 total cpu time spent up to now is 78.7 secs Computing kpt #: 197 total cpu time spent up to now is 79.1 secs Computing kpt #: 198 total cpu time spent up to now is 79.5 secs Computing kpt #: 199 total cpu time spent up to now is 79.8 secs Computing kpt #: 200 total cpu time spent up to now is 80.2 secs Computing kpt #: 201 total cpu time spent up to now is 80.6 secs Computing kpt #: 202 total cpu time spent up to now is 81.0 secs Computing kpt #: 203 total cpu time spent up to now is 81.3 secs Computing kpt #: 204 total cpu time spent up to now is 81.7 secs Computing kpt #: 205 total cpu time spent up to now is 82.1 secs Computing kpt #: 206 total cpu time spent up to now is 82.5 secs Computing kpt #: 207 total cpu time spent up to now is 82.9 secs Computing kpt #: 208 total cpu time spent up to now is 83.3 secs Computing kpt #: 209 total cpu time spent up to now is 83.7 secs Computing kpt #: 210 total cpu time spent up to now is 84.1 secs Computing kpt #: 211 total cpu time spent up to now is 84.6 secs Computing kpt #: 212 total cpu time spent up to now is 85.0 secs Computing kpt #: 213 total cpu time spent up to now is 85.4 secs Computing kpt #: 214 total cpu time spent up to now is 85.8 secs Computing kpt #: 215 total cpu time spent up to now is 86.2 secs Computing kpt #: 216 total cpu time spent up to now is 86.6 secs Computing kpt #: 217 total cpu time spent up to now is 87.0 secs Computing kpt #: 218 total cpu time spent up to now is 87.4 secs Computing kpt #: 219 total cpu time spent up to now is 87.7 secs Computing kpt #: 220 total cpu time spent up to now is 88.1 secs Computing kpt #: 221 total cpu time spent up to now is 88.4 secs Computing kpt #: 222 total cpu time spent up to now is 88.8 secs Computing kpt #: 223 total cpu time spent up to now is 89.1 secs Computing kpt #: 224 total cpu time spent up to now is 89.5 secs Computing kpt #: 225 total cpu time spent up to now is 89.9 secs Computing kpt #: 226 total cpu time spent up to now is 90.2 secs Computing kpt #: 227 total cpu time spent up to now is 90.6 secs Computing kpt #: 228 total cpu time spent up to now is 91.0 secs Computing kpt #: 229 total cpu time spent up to now is 91.3 secs Computing kpt #: 230 total cpu time spent up to now is 91.7 secs Computing kpt #: 231 total cpu time spent up to now is 92.1 secs Computing kpt #: 232 total cpu time spent up to now is 92.4 secs Computing kpt #: 233 total cpu time spent up to now is 92.8 secs Computing kpt #: 234 total cpu time spent up to now is 93.2 secs Computing kpt #: 235 total cpu time spent up to now is 93.6 secs Computing kpt #: 236 total cpu time spent up to now is 93.9 secs Computing kpt #: 237 total cpu time spent up to now is 94.3 secs Computing kpt #: 238 total cpu time spent up to now is 94.7 secs Computing kpt #: 239 total cpu time spent up to now is 95.1 secs Computing kpt #: 240 total cpu time spent up to now is 95.5 secs Computing kpt #: 241 total cpu time spent up to now is 95.8 secs Computing kpt #: 242 total cpu time spent up to now is 96.2 secs Computing kpt #: 243 total cpu time spent up to now is 96.6 secs Computing kpt #: 244 total cpu time spent up to now is 97.0 secs Computing kpt #: 245 total cpu time spent up to now is 97.3 secs Computing kpt #: 246 total cpu time spent up to now is 97.7 secs Computing kpt #: 247 total cpu time spent up to now is 98.1 secs Computing kpt #: 248 total cpu time spent up to now is 98.5 secs Computing kpt #: 249 total cpu time spent up to now is 98.8 secs Computing kpt #: 250 total cpu time spent up to now is 99.2 secs Computing kpt #: 251 total cpu time spent up to now is 99.6 secs Computing kpt #: 252 total cpu time spent up to now is 99.9 secs Computing kpt #: 253 total cpu time spent up to now is 100.3 secs Computing kpt #: 254 total cpu time spent up to now is 100.7 secs Computing kpt #: 255 total cpu time spent up to now is 101.1 secs Computing kpt #: 256 total cpu time spent up to now is 101.4 secs Computing kpt #: 257 total cpu time spent up to now is 101.8 secs Computing kpt #: 258 total cpu time spent up to now is 102.2 secs Computing kpt #: 259 total cpu time spent up to now is 102.6 secs Computing kpt #: 260 total cpu time spent up to now is 102.9 secs Computing kpt #: 261 total cpu time spent up to now is 103.3 secs Computing kpt #: 262 total cpu time spent up to now is 103.7 secs Computing kpt #: 263 total cpu time spent up to now is 104.1 secs Computing kpt #: 264 total cpu time spent up to now is 104.5 secs Computing kpt #: 265 total cpu time spent up to now is 104.8 secs Computing kpt #: 266 total cpu time spent up to now is 105.2 secs Computing kpt #: 267 total cpu time spent up to now is 105.6 secs Computing kpt #: 268 total cpu time spent up to now is 105.9 secs Computing kpt #: 269 total cpu time spent up to now is 106.3 secs Computing kpt #: 270 total cpu time spent up to now is 106.7 secs Computing kpt #: 271 total cpu time spent up to now is 107.1 secs Computing kpt #: 272 total cpu time spent up to now is 107.4 secs Computing kpt #: 273 total cpu time spent up to now is 107.8 secs Computing kpt #: 274 total cpu time spent up to now is 108.2 secs Computing kpt #: 275 total cpu time spent up to now is 108.6 secs Computing kpt #: 276 total cpu time spent up to now is 108.9 secs Computing kpt #: 277 total cpu time spent up to now is 109.3 secs Computing kpt #: 278 total cpu time spent up to now is 109.7 secs Computing kpt #: 279 total cpu time spent up to now is 110.1 secs Computing kpt #: 280 total cpu time spent up to now is 110.5 secs Computing kpt #: 281 total cpu time spent up to now is 110.9 secs Computing kpt #: 282 total cpu time spent up to now is 111.2 secs Computing kpt #: 283 total cpu time spent up to now is 111.6 secs Computing kpt #: 284 total cpu time spent up to now is 112.0 secs Computing kpt #: 285 total cpu time spent up to now is 112.3 secs Computing kpt #: 286 total cpu time spent up to now is 112.7 secs Computing kpt #: 287 total cpu time spent up to now is 113.0 secs Computing kpt #: 288 total cpu time spent up to now is 113.4 secs Computing kpt #: 289 total cpu time spent up to now is 113.8 secs Computing kpt #: 290 total cpu time spent up to now is 114.1 secs Computing kpt #: 291 total cpu time spent up to now is 114.5 secs Computing kpt #: 292 total cpu time spent up to now is 114.9 secs Computing kpt #: 293 total cpu time spent up to now is 115.3 secs Computing kpt #: 294 total cpu time spent up to now is 115.7 secs Computing kpt #: 295 total cpu time spent up to now is 116.3 secs Computing kpt #: 296 total cpu time spent up to now is 116.9 secs Computing kpt #: 297 total cpu time spent up to now is 117.5 secs Computing kpt #: 298 total cpu time spent up to now is 118.1 secs Computing kpt #: 299 total cpu time spent up to now is 118.5 secs Computing kpt #: 300 total cpu time spent up to now is 119.0 secs Computing kpt #: 301 total cpu time spent up to now is 119.4 secs Computing kpt #: 302 total cpu time spent up to now is 119.8 secs Computing kpt #: 303 total cpu time spent up to now is 120.2 secs Computing kpt #: 304 total cpu time spent up to now is 120.6 secs Computing kpt #: 305 total cpu time spent up to now is 120.9 secs Computing kpt #: 306 total cpu time spent up to now is 121.3 secs Computing kpt #: 307 total cpu time spent up to now is 121.7 secs Computing kpt #: 308 total cpu time spent up to now is 122.1 secs Computing kpt #: 309 total cpu time spent up to now is 122.4 secs Computing kpt #: 310 total cpu time spent up to now is 122.8 secs Computing kpt #: 311 total cpu time spent up to now is 123.2 secs Computing kpt #: 312 total cpu time spent up to now is 123.6 secs Computing kpt #: 313 total cpu time spent up to now is 124.1 secs Computing kpt #: 314 total cpu time spent up to now is 124.6 secs Computing kpt #: 315 total cpu time spent up to now is 125.1 secs Computing kpt #: 316 total cpu time spent up to now is 125.6 secs Computing kpt #: 317 total cpu time spent up to now is 125.9 secs Computing kpt #: 318 total cpu time spent up to now is 126.3 secs Computing kpt #: 319 total cpu time spent up to now is 126.7 secs Computing kpt #: 320 total cpu time spent up to now is 127.0 secs Computing kpt #: 321 total cpu time spent up to now is 127.4 secs Computing kpt #: 322 total cpu time spent up to now is 127.7 secs Computing kpt #: 323 total cpu time spent up to now is 128.1 secs Computing kpt #: 324 total cpu time spent up to now is 128.4 secs Computing kpt #: 325 total cpu time spent up to now is 128.8 secs Computing kpt #: 326 total cpu time spent up to now is 129.1 secs Computing kpt #: 327 total cpu time spent up to now is 129.5 secs Computing kpt #: 328 total cpu time spent up to now is 129.8 secs Computing kpt #: 329 total cpu time spent up to now is 130.2 secs Computing kpt #: 330 total cpu time spent up to now is 130.5 secs Computing kpt #: 331 total cpu time spent up to now is 130.9 secs Computing kpt #: 332 total cpu time spent up to now is 131.2 secs Computing kpt #: 333 total cpu time spent up to now is 131.5 secs Computing kpt #: 334 total cpu time spent up to now is 131.9 secs Computing kpt #: 335 total cpu time spent up to now is 132.2 secs Computing kpt #: 336 total cpu time spent up to now is 132.5 secs Computing kpt #: 337 total cpu time spent up to now is 132.9 secs Computing kpt #: 338 total cpu time spent up to now is 133.2 secs Computing kpt #: 339 total cpu time spent up to now is 133.6 secs Computing kpt #: 340 total cpu time spent up to now is 133.9 secs Computing kpt #: 341 total cpu time spent up to now is 134.3 secs Computing kpt #: 342 total cpu time spent up to now is 134.6 secs Computing kpt #: 343 total cpu time spent up to now is 135.0 secs Computing kpt #: 344 total cpu time spent up to now is 135.4 secs Computing kpt #: 345 total cpu time spent up to now is 135.7 secs Computing kpt #: 346 total cpu time spent up to now is 136.1 secs Computing kpt #: 347 total cpu time spent up to now is 136.5 secs Computing kpt #: 348 total cpu time spent up to now is 136.9 secs Computing kpt #: 349 total cpu time spent up to now is 137.3 secs Computing kpt #: 350 total cpu time spent up to now is 137.6 secs Computing kpt #: 351 total cpu time spent up to now is 138.0 secs Computing kpt #: 352 total cpu time spent up to now is 138.4 secs Computing kpt #: 353 total cpu time spent up to now is 138.7 secs Computing kpt #: 354 total cpu time spent up to now is 139.2 secs Computing kpt #: 355 total cpu time spent up to now is 139.7 secs Computing kpt #: 356 total cpu time spent up to now is 140.3 secs Computing kpt #: 357 total cpu time spent up to now is 140.9 secs Computing kpt #: 358 total cpu time spent up to now is 141.4 secs Computing kpt #: 359 total cpu time spent up to now is 142.0 secs Computing kpt #: 360 total cpu time spent up to now is 142.5 secs Computing kpt #: 361 total cpu time spent up to now is 142.9 secs Computing kpt #: 362 total cpu time spent up to now is 143.3 secs Computing kpt #: 363 total cpu time spent up to now is 143.7 secs Computing kpt #: 364 total cpu time spent up to now is 144.1 secs Computing kpt #: 365 total cpu time spent up to now is 144.4 secs Computing kpt #: 366 total cpu time spent up to now is 144.8 secs Computing kpt #: 367 total cpu time spent up to now is 145.2 secs Computing kpt #: 368 total cpu time spent up to now is 145.6 secs Computing kpt #: 369 total cpu time spent up to now is 145.9 secs Computing kpt #: 370 total cpu time spent up to now is 146.3 secs Computing kpt #: 371 total cpu time spent up to now is 146.7 secs Computing kpt #: 372 total cpu time spent up to now is 147.1 secs Computing kpt #: 373 total cpu time spent up to now is 147.5 secs Computing kpt #: 374 total cpu time spent up to now is 147.9 secs Computing kpt #: 375 total cpu time spent up to now is 148.3 secs Computing kpt #: 376 total cpu time spent up to now is 148.7 secs Computing kpt #: 377 total cpu time spent up to now is 149.1 secs Computing kpt #: 378 total cpu time spent up to now is 149.4 secs Computing kpt #: 379 total cpu time spent up to now is 149.8 secs Computing kpt #: 380 total cpu time spent up to now is 150.2 secs Computing kpt #: 381 total cpu time spent up to now is 150.6 secs Computing kpt #: 382 total cpu time spent up to now is 151.0 secs Computing kpt #: 383 total cpu time spent up to now is 151.3 secs Computing kpt #: 384 total cpu time spent up to now is 151.7 secs Computing kpt #: 385 total cpu time spent up to now is 152.1 secs Computing kpt #: 386 total cpu time spent up to now is 152.5 secs Computing kpt #: 387 total cpu time spent up to now is 152.8 secs Computing kpt #: 388 total cpu time spent up to now is 153.2 secs Computing kpt #: 389 total cpu time spent up to now is 153.6 secs Computing kpt #: 390 total cpu time spent up to now is 153.9 secs Computing kpt #: 391 total cpu time spent up to now is 154.3 secs Computing kpt #: 392 total cpu time spent up to now is 154.6 secs Computing kpt #: 393 total cpu time spent up to now is 155.0 secs Computing kpt #: 394 total cpu time spent up to now is 155.3 secs Computing kpt #: 395 total cpu time spent up to now is 155.7 secs Computing kpt #: 396 total cpu time spent up to now is 156.0 secs Computing kpt #: 397 total cpu time spent up to now is 156.3 secs Computing kpt #: 398 total cpu time spent up to now is 156.7 secs Computing kpt #: 399 total cpu time spent up to now is 157.0 secs Computing kpt #: 400 total cpu time spent up to now is 157.3 secs Computing kpt #: 401 total cpu time spent up to now is 157.7 secs Computing kpt #: 402 total cpu time spent up to now is 158.1 secs Computing kpt #: 403 total cpu time spent up to now is 158.4 secs Computing kpt #: 404 total cpu time spent up to now is 158.8 secs Computing kpt #: 405 total cpu time spent up to now is 159.2 secs Computing kpt #: 406 total cpu time spent up to now is 159.6 secs Computing kpt #: 407 total cpu time spent up to now is 159.9 secs Computing kpt #: 408 total cpu time spent up to now is 160.3 secs Computing kpt #: 409 total cpu time spent up to now is 160.7 secs Computing kpt #: 410 total cpu time spent up to now is 161.1 secs Computing kpt #: 411 total cpu time spent up to now is 161.4 secs Computing kpt #: 412 total cpu time spent up to now is 161.8 secs Computing kpt #: 413 total cpu time spent up to now is 162.2 secs Computing kpt #: 414 total cpu time spent up to now is 162.6 secs Computing kpt #: 415 total cpu time spent up to now is 163.0 secs Computing kpt #: 416 total cpu time spent up to now is 163.4 secs Computing kpt #: 417 total cpu time spent up to now is 163.8 secs Computing kpt #: 418 total cpu time spent up to now is 164.1 secs Computing kpt #: 419 total cpu time spent up to now is 164.5 secs Computing kpt #: 420 total cpu time spent up to now is 164.9 secs Computing kpt #: 421 total cpu time spent up to now is 165.3 secs Computing kpt #: 422 total cpu time spent up to now is 165.7 secs Computing kpt #: 423 total cpu time spent up to now is 166.1 secs Computing kpt #: 424 total cpu time spent up to now is 166.4 secs Computing kpt #: 425 total cpu time spent up to now is 166.8 secs Computing kpt #: 426 total cpu time spent up to now is 167.2 secs Computing kpt #: 427 total cpu time spent up to now is 167.5 secs Computing kpt #: 428 total cpu time spent up to now is 167.9 secs Computing kpt #: 429 total cpu time spent up to now is 168.2 secs Computing kpt #: 430 total cpu time spent up to now is 168.6 secs Computing kpt #: 431 total cpu time spent up to now is 168.9 secs Computing kpt #: 432 total cpu time spent up to now is 169.2 secs Computing kpt #: 433 total cpu time spent up to now is 169.5 secs Computing kpt #: 434 total cpu time spent up to now is 169.9 secs Computing kpt #: 435 total cpu time spent up to now is 170.2 secs Computing kpt #: 436 total cpu time spent up to now is 170.5 secs Computing kpt #: 437 total cpu time spent up to now is 170.9 secs Computing kpt #: 438 total cpu time spent up to now is 171.2 secs Computing kpt #: 439 total cpu time spent up to now is 171.6 secs Computing kpt #: 440 total cpu time spent up to now is 171.9 secs Computing kpt #: 441 total cpu time spent up to now is 172.3 secs Computing kpt #: 442 total cpu time spent up to now is 172.6 secs Computing kpt #: 443 total cpu time spent up to now is 173.0 secs Computing kpt #: 444 total cpu time spent up to now is 173.3 secs Computing kpt #: 445 total cpu time spent up to now is 173.7 secs Computing kpt #: 446 total cpu time spent up to now is 174.1 secs Computing kpt #: 447 total cpu time spent up to now is 174.4 secs Computing kpt #: 448 total cpu time spent up to now is 174.8 secs Computing kpt #: 449 total cpu time spent up to now is 175.2 secs Computing kpt #: 450 total cpu time spent up to now is 175.6 secs Computing kpt #: 451 total cpu time spent up to now is 175.9 secs Computing kpt #: 452 total cpu time spent up to now is 176.3 secs Computing kpt #: 453 total cpu time spent up to now is 176.7 secs Computing kpt #: 454 total cpu time spent up to now is 177.0 secs Computing kpt #: 455 total cpu time spent up to now is 177.4 secs Computing kpt #: 456 total cpu time spent up to now is 177.8 secs Computing kpt #: 457 total cpu time spent up to now is 178.1 secs Computing kpt #: 458 total cpu time spent up to now is 178.5 secs Computing kpt #: 459 total cpu time spent up to now is 178.8 secs Computing kpt #: 460 total cpu time spent up to now is 179.2 secs ethr = 2.50E-08, avg # of iterations = 17.6 total cpu time spent up to now is 179.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2885 PWs) bands (ev): -5.8104 -5.8104 -3.5607 -3.5607 -1.4650 -1.4650 -0.7685 -0.7685 3.3812 3.3812 4.9861 4.9861 5.3089 5.3089 5.9646 5.9646 6.8411 6.8411 6.9031 6.9031 7.3664 7.3664 7.4969 7.4969 7.6148 7.6148 9.4240 9.4240 9.6232 9.6232 9.9262 9.9262 10.0542 10.0542 10.2567 10.2567 10.3352 10.3352 10.5217 10.5217 12.2646 12.2646 12.4430 12.4430 13.8270 13.8270 14.0912 14.0912 k = 0.0106-0.0000-0.0000 ( 2881 PWs) bands (ev): -5.8095 -5.8095 -3.5606 -3.5606 -1.4645 -1.4645 -0.7684 -0.7684 3.3823 3.3823 4.9864 4.9864 5.3092 5.3092 5.9626 5.9626 6.8410 6.8410 6.8972 6.8972 7.3657 7.3657 7.4997 7.4997 7.6146 7.6146 9.4088 9.4088 9.6267 9.6267 9.9240 9.9240 10.0658 10.0658 10.2566 10.2566 10.3344 10.3344 10.5229 10.5229 12.2667 12.2667 12.4434 12.4434 13.8265 13.8265 14.0893 14.0893 k = 0.0213-0.0000-0.0000 ( 2879 PWs) bands (ev): -5.8065 -5.8065 -3.5601 -3.5601 -1.4630 -1.4630 -0.7680 -0.7680 3.3857 3.3857 4.9873 4.9873 5.3100 5.3100 5.9567 5.9567 6.8407 6.8407 6.8796 6.8796 7.3636 7.3636 7.5080 7.5080 7.6139 7.6139 9.3666 9.3666 9.6367 9.6367 9.9172 9.9172 10.0975 10.0975 10.2562 10.2562 10.3323 10.3323 10.5262 10.5262 12.2729 12.2729 12.4445 12.4445 13.8250 13.8250 14.0836 14.0836 k = 0.0319-0.0000-0.0000 ( 2879 PWs) bands (ev): -5.8017 -5.8017 -3.5593 -3.5593 -1.4606 -1.4606 -0.7673 -0.7673 3.3915 3.3915 4.9887 4.9887 5.3114 5.3114 5.9471 5.9471 6.8403 6.8403 6.8510 6.8510 7.3602 7.3602 7.5215 7.5215 7.6127 7.6127 9.3038 9.3038 9.6528 9.6528 9.9062 9.9062 10.1419 10.1419 10.2561 10.2561 10.3288 10.3288 10.5317 10.5317 12.2831 12.2831 12.4463 12.4463 13.8221 13.8221 14.0742 14.0742 k = 0.0426-0.0000-0.0000 ( 2879 PWs) bands (ev): -5.7949 -5.7949 -3.5583 -3.5583 -1.4571 -1.4571 -0.7664 -0.7664 3.3994 3.3994 4.9907 4.9907 5.3134 5.3134 5.9339 5.9339 6.8121 6.8121 6.8397 6.8397 7.3555 7.3555 7.5403 7.5403 7.6108 7.6108 9.2270 9.2270 9.6740 9.6740 9.8911 9.8911 10.1897 10.1897 10.2587 10.2587 10.3248 10.3248 10.5396 10.5396 12.2969 12.2969 12.4488 12.4488 13.8173 13.8173 14.0613 14.0613 k = 0.0532-0.0000-0.0000 ( 2881 PWs) bands (ev): -5.7861 -5.7861 -3.5570 -3.5570 -1.4527 -1.4527 -0.7653 -0.7653 3.4097 3.4097 4.9929 4.9929 5.3158 5.3158 5.9175 5.9175 6.7643 6.7643 6.8388 6.8388 7.3497 7.3497 7.5638 7.5638 7.6080 7.6080 9.1404 9.1404 9.6991 9.6991 9.8727 9.8727 10.2228 10.2228 10.2739 10.2739 10.3241 10.3241 10.5497 10.5497 12.3139 12.3139 12.4520 12.4520 13.8098 13.8098 14.0451 14.0451 k = 0.0638-0.0000-0.0000 ( 2889 PWs) bands (ev): -5.7754 -5.7754 -3.5554 -3.5554 -1.4473 -1.4473 -0.7639 -0.7639 3.4221 3.4221 4.9954 4.9954 5.3185 5.3185 5.8982 5.8982 6.7087 6.7087 6.8376 6.8376 7.3426 7.3426 7.5915 7.5915 7.6043 7.6043 9.0472 9.0472 9.7267 9.7267 9.8517 9.8517 10.2296 10.2296 10.2901 10.2901 10.3469 10.3469 10.5623 10.5623 12.3337 12.3337 12.4560 12.4560 13.7984 13.7984 14.0257 14.0257 k = 0.0745-0.0000-0.0000 ( 2885 PWs) bands (ev): -5.7629 -5.7629 -3.5537 -3.5537 -1.4410 -1.4410 -0.7623 -0.7623 3.4368 3.4368 4.9980 4.9980 5.3216 5.3216 5.8766 5.8766 6.6469 6.6469 6.8362 6.8362 7.3347 7.3347 7.5986 7.5986 7.6240 7.6240 8.9493 8.9493 9.7547 9.7547 9.8300 9.8300 10.2270 10.2270 10.2863 10.2863 10.3960 10.3960 10.5773 10.5773 12.3559 12.3559 12.4607 12.4607 13.7811 13.7811 14.0037 14.0037 k = 0.0851-0.0000-0.0000 ( 2881 PWs) bands (ev): -5.7484 -5.7484 -3.5518 -3.5518 -1.4338 -1.4338 -0.7605 -0.7605 3.4536 3.4536 5.0003 5.0003 5.3248 5.3248 5.8528 5.8528 6.5802 6.5802 6.8344 6.8344 7.3257 7.3257 7.5920 7.5920 7.6595 7.6595 8.8480 8.8480 9.7751 9.7751 9.8147 9.8147 10.2212 10.2212 10.2766 10.2766 10.4498 10.4498 10.5948 10.5948 12.3797 12.3797 12.4662 12.4662 13.7555 13.7555 13.9792 13.9792 k = 0.0957-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.7320 -5.7320 -3.5498 -3.5498 -1.4257 -1.4257 -0.7585 -0.7585 3.4725 3.4725 5.0021 5.0021 5.3281 5.3281 5.8273 5.8273 6.5102 6.5102 6.8322 6.8322 7.3158 7.3158 7.5838 7.5838 7.6983 7.6983 8.7443 8.7443 9.7654 9.7654 9.8283 9.8283 10.2130 10.2130 10.2649 10.2649 10.5023 10.5023 10.6148 10.6148 12.4047 12.4047 12.4724 12.4724 13.7195 13.7195 13.9529 13.9529 k = 0.1064-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.7138 -5.7138 -3.5478 -3.5478 -1.4166 -1.4166 -0.7563 -0.7563 3.4935 3.4935 5.0031 5.0031 5.3313 5.3313 5.8005 5.8005 6.4383 6.4383 6.8295 6.8295 7.3048 7.3048 7.5738 7.5738 7.7398 7.7398 8.6392 8.6392 9.7417 9.7417 9.8545 9.8545 10.2024 10.2024 10.2524 10.2524 10.5518 10.5518 10.6374 10.6374 12.4300 12.4300 12.4798 12.4798 13.6718 13.6718 13.9249 13.9249 k = 0.1170-0.0000-0.0000 ( 2882 PWs) bands (ev): -5.6937 -5.6937 -3.5457 -3.5457 -1.4067 -1.4067 -0.7539 -0.7539 3.5165 3.5165 5.0028 5.0028 5.3342 5.3342 5.7727 5.7727 6.3660 6.3660 6.8262 6.8262 7.2926 7.2926 7.5623 7.5623 7.7838 7.7838 8.5333 8.5333 9.7162 9.7162 9.8812 9.8812 10.1894 10.1894 10.2397 10.2397 10.5970 10.5970 10.6629 10.6629 12.4543 12.4543 12.4891 12.4891 13.6132 13.6132 13.8958 13.8958 k = 0.1277-0.0000-0.0000 ( 2892 PWs) bands (ev): -5.6719 -5.6719 -3.5438 -3.5438 -1.3960 -1.3960 -0.7514 -0.7514 3.5414 3.5414 5.0007 5.0007 5.3366 5.3366 5.7443 5.7443 6.2947 6.2947 6.8222 6.8222 7.2788 7.2788 7.5493 7.5493 7.8297 7.8297 8.4273 8.4273 9.6911 9.6911 9.9063 9.9063 10.1736 10.1736 10.2272 10.2272 10.6366 10.6366 10.6917 10.6917 12.4749 12.4749 12.5025 12.5025 13.5458 13.5458 13.8656 13.8656 k = 0.1383-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.6482 -5.6482 -3.5420 -3.5420 -1.3844 -1.3844 -0.7488 -0.7488 3.5681 3.5681 4.9962 4.9962 5.3384 5.3384 5.7155 5.7155 6.2259 6.2259 6.8174 6.8174 7.2633 7.2633 7.5353 7.5353 7.8774 7.8774 8.3217 8.3217 9.6672 9.6672 9.9290 9.9290 10.1555 10.1555 10.2151 10.2151 10.6701 10.6701 10.7237 10.7237 12.4894 12.4894 12.5221 12.5221 13.4723 13.4723 13.8346 13.8346 k = 0.1489-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.6227 -5.6227 -3.5404 -3.5404 -1.3720 -1.3720 -0.7461 -0.7461 3.5965 3.5965 4.9887 4.9887 5.3392 5.3392 5.6866 5.6866 6.1611 6.1611 6.8117 6.8117 7.2453 7.2453 7.5206 7.5206 7.9264 7.9264 8.2172 8.2172 9.6450 9.6450 9.9490 9.9490 10.1354 10.1354 10.2032 10.2032 10.6989 10.6989 10.7570 10.7570 12.5001 12.5001 12.5452 12.5452 13.3948 13.3948 13.8028 13.8028 k = 0.1596-0.0000-0.0000 ( 2890 PWs) bands (ev): -5.5956 -5.5956 -3.5391 -3.5391 -1.3589 -1.3589 -0.7433 -0.7433 3.6265 3.6265 4.9775 4.9775 5.3388 5.3388 5.6578 5.6578 6.1015 6.1015 6.8049 6.8049 7.2243 7.2243 7.5060 7.5060 7.9759 7.9759 8.1147 8.1147 9.6250 9.6250 9.9654 9.9654 10.1142 10.1142 10.1913 10.1913 10.7242 10.7242 10.7897 10.7897 12.5094 12.5094 12.5688 12.5688 13.3150 13.3150 13.7705 13.7705 k = 0.1702-0.0000-0.0000 ( 2894 PWs) bands (ev): -5.5667 -5.5667 -3.5382 -3.5382 -1.3451 -1.3451 -0.7405 -0.7405 3.6579 3.6579 4.9622 4.9622 5.3368 5.3368 5.6294 5.6294 6.0484 6.0484 6.7969 6.7969 7.1997 7.1997 7.4922 7.4922 8.0058 8.0058 8.0349 8.0349 9.6074 9.6074 9.9772 9.9772 10.0936 10.0936 10.1793 10.1793 10.7469 10.7469 10.8204 10.8204 12.5184 12.5184 12.5919 12.5919 13.2345 13.2345 13.7379 13.7379 k = 0.1809-0.0000-0.0000 ( 2896 PWs) bands (ev): -5.5361 -5.5361 -3.5378 -3.5378 -1.3306 -1.3306 -0.7377 -0.7377 3.6904 3.6904 4.9424 4.9424 5.3331 5.3331 5.6015 5.6015 6.0029 6.0029 6.7876 6.7876 7.1710 7.1710 7.4799 7.4799 7.9136 7.9136 8.0802 8.0802 9.5925 9.5925 9.9814 9.9814 10.0769 10.0769 10.1672 10.1672 10.7673 10.7673 10.8485 10.8485 12.5271 12.5271 12.6139 12.6139 13.1541 13.1541 13.7051 13.7051 k = 0.1915-0.0000-0.0000 ( 2888 PWs) bands (ev): -5.5040 -5.5040 -3.5379 -3.5379 -1.3154 -1.3154 -0.7349 -0.7349 3.7240 3.7240 4.9181 4.9181 5.3272 5.3272 5.5744 5.5744 5.9656 5.9656 6.7766 6.7766 7.1379 7.1379 7.4696 7.4696 7.8193 7.8193 8.1313 8.1313 9.5803 9.5803 9.9743 9.9743 10.0683 10.0683 10.1550 10.1550 10.7853 10.7853 10.8738 10.8738 12.5356 12.5356 12.6347 12.6347 13.0751 13.0751 13.6721 13.6721 k = 0.2021-0.0000-0.0000 ( 2884 PWs) bands (ev): -5.4702 -5.4702 -3.5388 -3.5388 -1.2996 -1.2996 -0.7322 -0.7322 3.7581 3.7581 4.8896 4.8896 5.3188 5.3188 5.5482 5.5482 5.9369 5.9369 6.7639 6.7639 7.1001 7.1001 7.4618 7.4618 7.7286 7.7286 8.1826 8.1826 9.5708 9.5708 9.9554 9.9554 10.0682 10.0682 10.1426 10.1426 10.8009 10.8009 10.8959 10.8959 12.5440 12.5440 12.6539 12.6539 12.9980 12.9980 13.6391 13.6391 k = 0.2128-0.0000-0.0000 ( 2882 PWs) bands (ev): -5.4349 -5.4349 -3.5404 -3.5404 -1.2833 -1.2833 -0.7295 -0.7295 3.7925 3.7925 4.8576 4.8576 5.3075 5.3075 5.5231 5.5231 5.9167 5.9167 6.7491 6.7491 7.0579 7.0579 7.4566 7.4566 7.6425 7.6425 8.2333 8.2333 9.5641 9.5641 9.9289 9.9289 10.0731 10.0731 10.1302 10.1302 10.8139 10.8139 10.9150 10.9150 12.5521 12.5521 12.6716 12.6716 12.9235 12.9235 13.6060 13.6060 k = 0.2234-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.3982 -5.3982 -3.5430 -3.5430 -1.2664 -1.2664 -0.7270 -0.7270 3.8265 3.8265 4.8235 4.8235 5.2930 5.2930 5.4991 5.4991 5.9047 5.9047 6.7321 6.7321 7.0115 7.0115 7.4538 7.4538 7.5615 7.5615 8.2833 8.2833 9.5597 9.5597 9.8982 9.8982 10.0798 10.0798 10.1180 10.1180 10.8242 10.8242 10.9309 10.9309 12.5599 12.5599 12.6874 12.6874 12.8524 12.8524 13.5728 13.5728 k = 0.2340-0.0000-0.0000 ( 2888 PWs) bands (ev): -5.3600 -5.3600 -3.5465 -3.5465 -1.2491 -1.2491 -0.7246 -0.7246 3.8595 3.8595 4.7888 4.7888 5.2749 5.2749 5.4765 5.4765 5.9000 5.9000 6.7126 6.7126 6.9614 6.9614 7.4523 7.4523 7.4875 7.4875 8.3321 8.3321 9.5578 9.5578 9.8650 9.8650 10.0862 10.0862 10.1066 10.1066 10.8318 10.8318 10.9437 10.9437 12.5672 12.5672 12.6999 12.6999 12.7869 12.7869 13.5395 13.5395 k = 0.2447-0.0000-0.0000 ( 2890 PWs) bands (ev): -5.3204 -5.3204 -3.5511 -3.5511 -1.2313 -1.2313 -0.7224 -0.7224 3.8908 3.8908 4.7552 4.7552 5.2530 5.2530 5.4553 5.4553 5.9021 5.9021 6.6907 6.6907 6.9081 6.9081 7.4131 7.4131 7.4595 7.4595 8.3794 8.3794 9.5579 9.5579 9.8305 9.8305 10.0869 10.0869 10.1010 10.1010 10.8367 10.8367 10.9534 10.9534 12.5739 12.5739 12.6958 12.6958 12.7407 12.7407 13.5061 13.5061 k = 0.2553-0.0000-0.0000 ( 2898 PWs) bands (ev): -5.2795 -5.2795 -3.5569 -3.5569 -1.2132 -1.2132 -0.7205 -0.7205 3.9192 3.9192 4.7249 4.7249 5.2269 5.2269 5.4356 5.4356 5.9100 5.9100 6.6662 6.6662 6.8521 6.8521 7.3503 7.3503 7.4636 7.4636 8.4245 8.4245 9.5600 9.5600 9.7952 9.7952 10.0778 10.0778 10.1054 10.1054 10.8390 10.8390 10.9600 10.9600 12.5789 12.5789 12.6506 12.6506 12.7398 12.7398 13.4724 13.4724 k = 0.2660-0.0000-0.0000 ( 2896 PWs) bands (ev): -5.2373 -5.2373 -3.5641 -3.5641 -1.1947 -1.1947 -0.7188 -0.7188 3.9436 3.9436 4.6999 4.6999 5.1966 5.1966 5.4176 5.4176 5.9229 5.9229 6.6392 6.6392 6.7939 6.7939 7.2927 7.2927 7.4710 7.4710 8.4671 8.4671 9.5638 9.5638 9.7599 9.7599 10.0667 10.0667 10.1118 10.1118 10.8385 10.8385 10.9637 10.9637 12.5743 12.5743 12.6072 12.6072 12.7498 12.7498 13.4384 13.4384 k = 0.2766-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.1939 -5.1939 -3.5726 -3.5726 -1.1760 -1.1760 -0.7174 -0.7174 3.9628 3.9628 4.6822 4.6822 5.1619 5.1619 5.4013 5.4013 5.9402 5.9402 6.6098 6.6098 6.7340 6.7340 7.2410 7.2410 7.4807 7.4807 8.5066 8.5066 9.5689 9.5689 9.7251 9.7251 10.0558 10.0558 10.1184 10.1184 10.8356 10.8356 10.9643 10.9643 12.5358 12.5358 12.6000 12.6000 12.7606 12.7606 13.4004 13.4004 k = 0.2872-0.0000-0.0000 ( 2904 PWs) bands (ev): -5.1494 -5.1494 -3.5826 -3.5826 -1.1570 -1.1570 -0.7163 -0.7163 3.9759 3.9759 4.6736 4.6736 5.1229 5.1229 5.3869 5.3869 5.9611 5.9611 6.5782 6.5782 6.6728 6.6728 7.1946 7.1946 7.4926 7.4926 8.5423 8.5423 9.5750 9.5750 9.6916 9.6916 10.0455 10.0455 10.1248 10.1248 10.8303 10.8303 10.9622 10.9622 12.4901 12.4901 12.6036 12.6036 12.7714 12.7714 13.3359 13.3359 k = 0.2979-0.0000-0.0000 ( 2904 PWs) bands (ev): -5.1039 -5.1039 -3.5943 -3.5943 -1.1379 -1.1379 -0.7157 -0.7157 3.9823 3.9823 4.6751 4.6751 5.0798 5.0798 5.3745 5.3745 5.9853 5.9853 6.5445 6.5445 6.6111 6.6111 7.1532 7.1532 7.5067 7.5067 8.5735 8.5735 9.5817 9.5817 9.6606 9.6606 10.0359 10.0359 10.1309 10.1309 10.8229 10.8229 10.9572 10.9572 12.4476 12.4476 12.6080 12.6080 12.7818 12.7818 13.2733 13.2733 k = 0.3085-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.0574 -5.0574 -3.6076 -3.6076 -1.1187 -1.1187 -0.7154 -0.7154 3.9823 3.9823 4.6869 4.6869 5.0327 5.0327 5.3640 5.3640 6.0120 6.0120 6.5084 6.5084 6.5498 6.5498 7.1162 7.1162 7.5230 7.5230 8.5995 8.5995 9.5878 9.5878 9.6334 9.6334 10.0274 10.0274 10.1368 10.1368 10.8133 10.8133 10.9496 10.9496 12.4095 12.4095 12.6124 12.6124 12.7920 12.7920 13.2135 13.2135 k = 0.3191-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.0100 -5.0100 -3.6227 -3.6227 -1.0994 -1.0994 -0.7156 -0.7156 3.9769 3.9769 4.7085 4.7085 4.9822 4.9822 5.3557 5.3557 6.0410 6.0410 6.4668 6.4668 6.4924 6.4924 7.0828 7.0828 7.5412 7.5412 8.6195 8.6195 9.5886 9.5886 9.6154 9.6154 10.0200 10.0200 10.1424 10.1424 10.8018 10.8018 10.9395 10.9395 12.3761 12.3761 12.6166 12.6166 12.8020 12.8020 13.1568 13.1568 k = 0.3298-0.0000-0.0000 ( 2908 PWs) bands (ev): -4.9618 -4.9618 -3.6396 -3.6396 -1.0802 -1.0802 -0.7163 -0.7163 3.9675 3.9675 4.7386 4.7386 4.9288 4.9288 5.3495 5.3495 6.0719 6.0719 6.4132 6.4132 6.4460 6.4460 7.0523 7.0523 7.5615 7.5615 8.6327 8.6327 9.5761 9.5761 9.6150 9.6150 10.0139 10.0139 10.1477 10.1477 10.7887 10.7887 10.9270 10.9270 12.3473 12.3473 12.6203 12.6203 12.8114 12.8114 13.1033 13.1033 k = 0.3404-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.9128 -4.9128 -3.6583 -3.6583 -1.0610 -1.0610 -0.7175 -0.7175 3.9557 3.9557 4.7757 4.7757 4.8731 4.8731 5.3456 5.3456 6.1043 6.1043 6.3529 6.3529 6.4056 6.4056 7.0243 7.0243 7.5838 7.5838 8.6387 8.6387 9.5613 9.5613 9.6217 9.6217 10.0092 10.0092 10.1527 10.1527 10.7742 10.7742 10.9124 10.9124 12.3235 12.3235 12.6238 12.6238 12.8201 12.8201 13.0532 13.0532 k = 0.3511-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.8633 -4.8633 -3.6790 -3.6790 -1.0419 -1.0419 -0.7192 -0.7192 3.9430 3.9430 4.8058 4.8058 4.8284 4.8284 5.3439 5.3439 6.1378 6.1378 6.2916 6.2916 6.3658 6.3658 6.9981 6.9981 7.6081 7.6081 8.6371 8.6371 9.5502 9.5502 9.6297 9.6297 10.0060 10.0060 10.1573 10.1573 10.7586 10.7586 10.8958 10.8958 12.3045 12.3045 12.6269 12.6269 12.8275 12.8275 13.0066 13.0066 k = 0.3617-0.0000-0.0000 ( 2900 PWs) bands (ev): -4.8132 -4.8132 -3.7016 -3.7016 -1.0230 -1.0230 -0.7216 -0.7216 3.9307 3.9307 4.7529 4.7529 4.8701 4.8701 5.3447 5.3447 6.1721 6.1721 6.2308 6.2308 6.3255 6.3255 6.9731 6.9731 7.6343 7.6343 8.6279 8.6279 9.5438 9.5438 9.6377 9.6377 10.0045 10.0045 10.1616 10.1616 10.7421 10.7421 10.8776 10.8776 12.2903 12.2903 12.6298 12.6298 12.8325 12.8325 12.9636 12.9636 k = 0.3723-0.0000-0.0000 ( 2896 PWs) bands (ev): -4.7627 -4.7627 -3.7263 -3.7263 -1.0043 -1.0043 -0.7245 -0.7245 3.9199 3.9199 4.6928 4.6928 4.9219 4.9219 5.3478 5.3478 6.1696 6.1696 6.2075 6.2075 6.2851 6.2851 6.9491 6.9491 7.6624 7.6624 8.6115 8.6115 9.5420 9.5420 9.6454 9.6454 10.0047 10.0047 10.1654 10.1654 10.7252 10.7252 10.8580 10.8580 12.2808 12.2808 12.6325 12.6325 12.8337 12.8337 12.9240 12.9240 k = 0.3830-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.7119 -4.7119 -3.7529 -3.7529 -0.9859 -0.9859 -0.7281 -0.7281 3.9113 3.9113 4.6319 4.6319 4.9771 4.9771 5.3534 5.3534 6.1110 6.1110 6.2281 6.2281 6.2572 6.2572 6.9256 6.9256 7.6923 7.6923 8.5885 8.5885 9.5445 9.5445 9.6524 9.6524 10.0066 10.0066 10.1684 10.1684 10.7080 10.7080 10.8373 10.8373 12.2759 12.2759 12.6350 12.6350 12.8292 12.8292 12.8879 12.8879 k = 0.3936-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.6609 -4.6609 -3.7814 -3.7814 -0.9678 -0.9678 -0.7324 -0.7324 3.9056 3.9056 4.5712 4.5712 5.0347 5.0347 5.3615 5.3615 6.0534 6.0534 6.1924 6.1924 6.2849 6.2849 6.9023 6.9023 7.7241 7.7241 8.5598 8.5598 9.5504 9.5504 9.6587 9.6587 10.0102 10.0102 10.1708 10.1708 10.6913 10.6913 10.8158 10.8158 12.2755 12.2755 12.6375 12.6375 12.8171 12.8171 12.8554 12.8554 k = 0.4043-0.0000-0.0000 ( 2902 PWs) bands (ev): -4.6097 -4.6097 -3.8120 -3.8120 -0.9501 -0.9501 -0.7374 -0.7374 3.9033 3.9033 4.5110 4.5110 5.0941 5.0941 5.3722 5.3722 5.9973 5.9973 6.1472 6.1472 6.3207 6.3207 6.8789 6.8789 7.7577 7.7577 8.5262 8.5262 9.5591 9.5591 9.6641 9.6641 10.0156 10.0156 10.1723 10.1723 10.6754 10.6754 10.7938 10.7938 12.2794 12.2794 12.6399 12.6399 12.7965 12.7965 12.8269 12.8269 k = 0.4149-0.0000-0.0000 ( 2902 PWs) bands (ev): -4.5586 -4.5586 -3.8445 -3.8445 -0.9329 -0.9329 -0.7430 -0.7430 3.9047 3.9047 4.4520 4.4520 5.1550 5.1550 5.3855 5.3855 5.9429 5.9429 6.0997 6.0997 6.3573 6.3573 6.8552 6.8552 7.7931 7.7931 8.4886 8.4886 9.5697 9.5697 9.6685 9.6685 10.0227 10.0227 10.1726 10.1726 10.6606 10.6606 10.7718 10.7718 12.2876 12.2876 12.6423 12.6423 12.7687 12.7687 12.8021 12.8021 k = 0.4255-0.0000-0.0000 ( 2902 PWs) bands (ev): -4.5077 -4.5077 -3.8788 -3.8788 -0.9161 -0.9161 -0.7494 -0.7494 3.9099 3.9099 4.3944 4.3944 5.2169 5.2169 5.4014 5.4014 5.8904 5.8904 6.0502 6.0502 6.3939 6.3939 6.8309 6.8309 7.8300 7.8300 8.4480 8.4480 9.5814 9.5814 9.6717 9.6717 10.0313 10.0313 10.1715 10.1715 10.6476 10.6476 10.7501 10.7501 12.2997 12.2997 12.6447 12.6447 12.7365 12.7365 12.7798 12.7798 k = 0.4362-0.0000-0.0000 ( 2902 PWs) bands (ev): -4.4570 -4.4570 -3.9150 -3.9150 -0.8998 -0.8998 -0.7566 -0.7566 3.9193 3.9193 4.3388 4.3388 5.2793 5.2793 5.4200 5.4200 5.8399 5.8399 5.9989 5.9989 6.4304 6.4304 6.8060 6.8060 7.8686 7.8686 8.4049 8.4049 9.5937 9.5937 9.6737 9.6737 10.0413 10.0413 10.1689 10.1689 10.6367 10.6367 10.7289 10.7289 12.3157 12.3157 12.6469 12.6469 12.7020 12.7020 12.7597 12.7597 k = 0.4468-0.0000-0.0000 ( 2900 PWs) bands (ev): -4.4067 -4.4067 -3.9529 -3.9529 -0.8842 -0.8842 -0.7645 -0.7645 3.9328 3.9328 4.2854 4.2854 5.3419 5.3419 5.4414 5.4414 5.7915 5.7915 5.9458 5.9458 6.4664 6.4664 6.7802 6.7802 7.9087 7.9087 8.3602 8.3602 9.6060 9.6060 9.6744 9.6744 10.0526 10.0526 10.1646 10.1646 10.6284 10.6284 10.7087 10.7087 12.3353 12.3353 12.6457 12.6457 12.6697 12.6697 12.7418 12.7418 k = 0.4574-0.0000-0.0000 ( 2900 PWs) bands (ev): -4.3569 -4.3569 -3.9925 -3.9925 -0.8691 -0.8691 -0.7731 -0.7731 3.9505 3.9505 4.2346 4.2346 5.4041 5.4041 5.4659 5.4659 5.7454 5.7454 5.8911 5.8911 6.5018 6.5018 6.7534 6.7534 7.9502 7.9502 8.3143 8.3143 9.6180 9.6180 9.6737 9.6737 10.0648 10.0648 10.1584 10.1584 10.6230 10.6230 10.6898 10.6898 12.3582 12.3582 12.6216 12.6216 12.6600 12.6600 12.7260 12.7260 k = 0.4681-0.0000-0.0000 ( 2908 PWs) bands (ev): -4.3078 -4.3078 -4.0336 -4.0336 -0.8546 -0.8546 -0.7826 -0.7826 3.9725 3.9725 4.1867 4.1867 5.4641 5.4641 5.4950 5.4950 5.7015 5.7015 5.8349 5.8349 6.5366 6.5366 6.7256 6.7256 7.9930 7.9930 8.2677 8.2677 9.6292 9.6292 9.6715 9.6715 10.0778 10.0778 10.1504 10.1504 10.6209 10.6209 10.6725 10.6725 12.3842 12.3842 12.5854 12.5854 12.6629 12.6629 12.7123 12.7123 k = 0.4787-0.0000-0.0000 ( 2908 PWs) bands (ev): -4.2595 -4.2595 -4.0763 -4.0763 -0.8408 -0.8408 -0.7927 -0.7927 3.9985 3.9985 4.1419 4.1419 5.5118 5.5118 5.5383 5.5383 5.6604 5.6604 5.7773 5.7773 6.5706 6.5706 6.6967 6.6967 8.0369 8.0369 8.2208 8.2208 9.6394 9.6394 9.6679 9.6679 10.0911 10.0911 10.1407 10.1407 10.6221 10.6221 10.6572 10.6572 12.4129 12.4129 12.5485 12.5485 12.6678 12.6678 12.7004 12.7004 k = 0.4894-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.2120 -4.2120 -4.1203 -4.1203 -0.8277 -0.8277 -0.8036 -0.8036 4.0287 4.0287 4.1005 4.1005 5.5469 5.5469 5.5925 5.5925 5.6250 5.6250 5.7187 5.7187 6.6036 6.6036 6.6667 6.6667 8.0819 8.0819 8.1741 8.1741 9.6486 9.6486 9.6629 9.6629 10.1044 10.1044 10.1296 10.1296 10.6264 10.6264 10.6443 10.6443 12.4440 12.4440 12.5123 12.5123 12.6740 12.6740 12.6902 12.6902 k = 0.5000-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.1657 -4.1657 -4.1655 -4.1655 -0.8154 -0.8154 -0.8152 -0.8152 4.0626 4.0626 4.0628 4.0628 5.5809 5.5809 5.5811 5.5811 5.6597 5.6597 5.6598 5.6598 6.6355 6.6355 6.6359 6.6359 8.1276 8.1276 8.1277 8.1277 9.6562 9.6562 9.6566 9.6566 10.1169 10.1169 10.1179 10.1179 10.6334 10.6334 10.6345 10.6345 12.4768 12.4768 12.4778 12.4778 12.6810 12.6810 12.6818 12.6818 k = 0.5000-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.1657 -4.1657 -4.1655 -4.1655 -0.8154 -0.8154 -0.8152 -0.8152 4.0626 4.0626 4.0628 4.0628 5.5809 5.5809 5.5811 5.5811 5.6597 5.6597 5.6598 5.6598 6.6355 6.6355 6.6359 6.6359 8.1276 8.1276 8.1277 8.1277 9.6562 9.6562 9.6566 9.6566 10.1169 10.1169 10.1179 10.1179 10.6334 10.6334 10.6345 10.6345 12.4768 12.4768 12.4778 12.4778 12.6810 12.6810 12.6818 12.6818 k = 0.5000 0.0106-0.0000 ( 2906 PWs) bands (ev): -4.1651 -4.1651 -4.1649 -4.1649 -0.8167 -0.8167 -0.8162 -0.8162 4.0631 4.0631 4.0634 4.0634 5.5417 5.5417 5.5624 5.5624 5.6804 5.6804 5.7010 5.7010 6.6338 6.6338 6.6342 6.6342 8.1265 8.1265 8.1271 8.1271 9.6524 9.6524 9.6567 9.6567 10.1169 10.1169 10.1187 10.1187 10.6330 10.6330 10.6354 10.6354 12.4719 12.4719 12.4793 12.4793 12.6784 12.6784 12.6881 12.6881 k = 0.5000 0.0212-0.0000 ( 2906 PWs) bands (ev): -4.1634 -4.1634 -4.1632 -4.1632 -0.8204 -0.8204 -0.8193 -0.8193 4.0647 4.0647 4.0652 4.0652 5.4911 5.4911 5.5146 5.5146 5.7341 5.7341 5.7574 5.7574 6.6287 6.6287 6.6293 6.6293 8.1238 8.1238 8.1249 8.1249 9.6449 9.6449 9.6533 9.6533 10.1175 10.1175 10.1206 10.1206 10.6328 10.6328 10.6372 10.6372 12.4638 12.4638 12.4775 12.4775 12.6793 12.6793 12.6976 12.6976 k = 0.5000 0.0317-0.0000 ( 2906 PWs) bands (ev): -4.1605 -4.1605 -4.1604 -4.1604 -0.8263 -0.8263 -0.8246 -0.8246 4.0673 4.0673 4.0682 4.0682 5.4409 5.4409 5.4650 5.4650 5.7932 5.7932 5.8170 5.8170 6.6206 6.6206 6.6213 6.6213 8.1192 8.1192 8.1208 8.1208 9.6340 9.6340 9.6466 9.6466 10.1187 10.1187 10.1233 10.1233 10.6332 10.6332 10.6394 10.6394 12.4536 12.4536 12.4724 12.4724 12.6837 12.6837 12.7092 12.7092 k = 0.5000 0.0423-0.0000 ( 2908 PWs) bands (ev): -4.1565 -4.1565 -4.1564 -4.1564 -0.8343 -0.8343 -0.8322 -0.8322 4.0711 4.0711 4.0721 4.0721 5.3930 5.3930 5.4174 5.4174 5.8536 5.8536 5.8776 5.8776 6.6098 6.6098 6.6108 6.6108 8.1127 8.1127 8.1147 8.1147 9.6204 9.6204 9.6371 9.6371 10.1207 10.1207 10.1267 10.1267 10.6339 10.6339 10.6420 10.6420 12.4421 12.4421 12.4647 12.4647 12.6910 12.6910 12.7218 12.7218 k = 0.5000 0.0529-0.0000 ( 2902 PWs) bands (ev): -4.1515 -4.1515 -4.1513 -4.1513 -0.8446 -0.8446 -0.8419 -0.8419 4.0759 4.0759 4.0772 4.0772 5.3483 5.3483 5.3727 5.3727 5.9137 5.9137 5.9376 5.9376 6.5971 6.5971 6.5984 6.5984 8.1040 8.1040 8.1062 8.1062 9.6046 9.6046 9.6253 9.6253 10.1232 10.1232 10.1308 10.1308 10.6352 10.6352 10.6450 10.6450 12.4299 12.4299 12.4551 12.4551 12.7003 12.7003 12.7350 12.7350 k = 0.5000 0.0635-0.0000 ( 2894 PWs) bands (ev): -4.1453 -4.1453 -4.1451 -4.1451 -0.8569 -0.8569 -0.8537 -0.8537 4.0818 4.0818 4.0832 4.0832 5.3072 5.3072 5.3314 5.3314 5.9718 5.9718 5.9956 5.9956 6.5835 6.5835 6.5853 6.5853 8.0928 8.0928 8.0951 8.0951 9.5874 9.5874 9.6122 9.6122 10.1264 10.1264 10.1356 10.1356 10.6368 10.6368 10.6481 10.6481 12.4174 12.4174 12.4443 12.4443 12.7108 12.7108 12.7481 12.7481 k = 0.5000 0.0741-0.0000 ( 2886 PWs) bands (ev): -4.1381 -4.1381 -4.1379 -4.1379 -0.8713 -0.8713 -0.8676 -0.8676 4.0886 4.0886 4.0902 4.0902 5.2698 5.2698 5.2939 5.2939 6.0260 6.0260 6.0496 6.0496 6.5709 6.5709 6.5731 6.5731 8.0786 8.0786 8.0810 8.0810 9.5697 9.5697 9.5984 9.5984 10.1300 10.1300 10.1409 10.1409 10.6388 10.6388 10.6514 10.6514 12.4050 12.4050 12.4331 12.4331 12.7218 12.7218 12.7607 12.7607 k = 0.5000 0.0847-0.0000 ( 2894 PWs) bands (ev): -4.1298 -4.1298 -4.1296 -4.1296 -0.8876 -0.8876 -0.8834 -0.8834 4.0964 4.0964 4.0980 4.0980 5.2365 5.2365 5.2602 5.2602 6.0740 6.0740 6.0971 6.0971 6.5616 6.5616 6.5640 6.5640 8.0611 8.0611 8.0634 8.0634 9.5524 9.5524 9.5848 9.5848 10.1339 10.1339 10.1464 10.1464 10.6409 10.6409 10.6546 10.6546 12.3930 12.3930 12.4217 12.4217 12.7329 12.7329 12.7726 12.7726 k = 0.5000 0.0952-0.0000 ( 2896 PWs) bands (ev): -4.1206 -4.1206 -4.1204 -4.1204 -0.9058 -0.9058 -0.9011 -0.9011 4.1052 4.1052 4.1068 4.1068 5.2075 5.2075 5.2307 5.2307 6.1123 6.1123 6.1345 6.1345 6.5590 6.5590 6.5613 6.5613 8.0399 8.0399 8.0421 8.0421 9.5363 9.5363 9.5723 9.5723 10.1383 10.1383 10.1524 10.1524 10.6432 10.6432 10.6580 10.6580 12.3816 12.3816 12.4106 12.4106 12.7440 12.7440 12.7839 12.7839 k = 0.5000 0.1058-0.0000 ( 2896 PWs) bands (ev): -4.1104 -4.1104 -4.1102 -4.1102 -0.9257 -0.9257 -0.9206 -0.9206 4.1148 4.1148 4.1163 4.1163 5.1827 5.1827 5.2055 5.2055 6.1375 6.1375 6.1580 6.1580 6.5668 6.5668 6.5682 6.5682 8.0146 8.0146 8.0166 8.0166 9.5224 9.5224 9.5618 9.5618 10.1430 10.1430 10.1588 10.1588 10.6456 10.6456 10.6613 10.6613 12.3711 12.3711 12.4002 12.4002 12.7548 12.7548 12.7945 12.7945 k = 0.5000 0.1164-0.0000 ( 2898 PWs) bands (ev): -4.0993 -4.0993 -4.0991 -4.0991 -0.9472 -0.9472 -0.9417 -0.9417 4.1253 4.1253 4.1267 4.1267 5.1624 5.1624 5.1846 5.1846 6.1473 6.1473 6.1655 6.1655 6.5870 6.5870 6.5870 6.5870 7.9849 7.9849 7.9868 7.9868 9.5113 9.5113 9.5540 9.5540 10.1479 10.1479 10.1653 10.1653 10.6481 10.6481 10.6645 10.6645 12.3617 12.3617 12.3907 12.3907 12.7654 12.7654 12.8046 12.8046 k = 0.5000 0.1270-0.0000 ( 2906 PWs) bands (ev): -4.0873 -4.0873 -4.0872 -4.0872 -0.9702 -0.9702 -0.9643 -0.9643 4.1366 4.1366 4.1378 4.1378 5.1466 5.1466 5.1680 5.1680 6.1422 6.1422 6.1578 6.1578 6.6172 6.6172 6.6187 6.6187 7.9507 7.9507 7.9523 7.9523 9.5038 9.5038 9.5496 9.5496 10.1530 10.1530 10.1720 10.1720 10.6505 10.6505 10.6676 10.6676 12.3535 12.3535 12.3823 12.3823 12.7757 12.7757 12.8142 12.8142 k = 0.5000 0.1376-0.0000 ( 2914 PWs) bands (ev): -4.0746 -4.0746 -4.0744 -4.0744 -0.9946 -0.9946 -0.9883 -0.9883 4.1488 4.1488 4.1497 4.1497 5.1351 5.1351 5.1556 5.1556 6.1248 6.1248 6.1379 6.1379 6.6561 6.6561 6.6590 6.6590 7.9117 7.9117 7.9133 7.9133 9.5003 9.5003 9.5489 9.5489 10.1584 10.1584 10.1788 10.1788 10.6529 10.6529 10.6707 10.6707 12.3468 12.3468 12.3751 12.3751 12.7858 12.7858 12.8234 12.8234 k = 0.5000 0.1481-0.0000 ( 2924 PWs) bands (ev): -4.0611 -4.0611 -4.0610 -4.0610 -1.0202 -1.0202 -1.0135 -1.0135 4.1618 4.1618 4.1623 4.1623 5.1279 5.1279 5.1475 5.1475 6.0982 6.0982 6.1092 6.1092 6.7005 6.7005 6.7043 6.7043 7.8681 7.8681 7.8696 7.8696 9.5011 9.5011 9.5524 9.5524 10.1637 10.1637 10.1857 10.1857 10.6553 10.6553 10.6736 10.6736 12.3418 12.3418 12.3695 12.3695 12.7958 12.7958 12.8325 12.8325 k = 0.5000 0.1587-0.0000 ( 2924 PWs) bands (ev): -4.0470 -4.0470 -4.0469 -4.0469 -1.0468 -1.0468 -1.0397 -1.0397 4.1757 4.1757 4.1758 4.1758 5.1248 5.1248 5.1433 5.1433 6.0653 6.0653 6.0745 6.0745 6.7477 6.7477 6.7521 6.7521 7.8201 7.8201 7.8217 7.8217 9.5065 9.5065 9.5602 9.5602 10.1693 10.1693 10.1927 10.1927 10.6577 10.6577 10.6764 10.6764 12.3385 12.3385 12.3655 12.3655 12.8057 12.8057 12.8416 12.8416 k = 0.5000 0.1693-0.0000 ( 2924 PWs) bands (ev): -4.0324 -4.0324 -4.0322 -4.0322 -1.0742 -1.0742 -1.0669 -1.0669 4.1902 4.1902 4.1905 4.1905 5.1255 5.1255 5.1428 5.1428 6.0283 6.0283 6.0360 6.0360 6.7955 6.7955 6.8001 6.8001 7.7679 7.7679 7.7697 7.7697 9.5163 9.5163 9.5723 9.5723 10.1749 10.1749 10.1996 10.1996 10.6601 10.6601 10.6792 10.6792 12.3372 12.3372 12.3634 12.3634 12.8156 12.8156 12.8507 12.8507 k = 0.5000 0.1799-0.0000 ( 2916 PWs) bands (ev): -4.0172 -4.0172 -4.0171 -4.0171 -1.1024 -1.1024 -1.0947 -1.0947 4.2055 4.2055 4.2063 4.2063 5.1295 5.1295 5.1456 5.1456 5.9887 5.9887 5.9953 5.9953 6.8425 6.8425 6.8470 6.8470 7.7121 7.7121 7.7142 7.7142 9.5305 9.5305 9.5884 9.5884 10.1806 10.1806 10.2066 10.2066 10.6624 10.6624 10.6818 10.6818 12.3378 12.3378 12.3631 12.3631 12.8257 12.8257 12.8599 12.8599 k = 0.5000 0.1905-0.0000 ( 2916 PWs) bands (ev): -4.0017 -4.0017 -4.0015 -4.0015 -1.1310 -1.1310 -1.1230 -1.1230 4.2218 4.2218 4.2232 4.2232 5.1364 5.1364 5.1512 5.1512 5.9481 5.9481 5.9535 5.9535 6.8873 6.8873 6.8916 6.8916 7.6533 7.6533 7.6559 7.6559 9.5485 9.5485 9.6084 9.6084 10.1862 10.1862 10.2134 10.2134 10.6645 10.6645 10.6843 10.6843 12.3406 12.3406 12.3648 12.3648 12.8359 12.8359 12.8693 12.8693 k = 0.5000 0.2011-0.0000 ( 2916 PWs) bands (ev): -3.9859 -3.9859 -3.9857 -3.9857 -1.1598 -1.1598 -1.1516 -1.1516 4.2392 4.2392 4.2412 4.2412 5.1455 5.1455 5.1588 5.1588 5.9077 5.9077 5.9121 5.9121 6.9290 6.9290 6.9329 6.9329 7.5923 7.5923 7.5956 7.5956 9.5700 9.5700 9.6316 9.6316 10.1917 10.1917 10.2200 10.2200 10.6665 10.6665 10.6867 10.6867 12.3454 12.3454 12.3685 12.3685 12.8464 12.8464 12.8790 12.8790 k = 0.5000 0.2116-0.0000 ( 2920 PWs) bands (ev): -3.9699 -3.9699 -3.9698 -3.9698 -1.1887 -1.1887 -1.1802 -1.1802 4.2579 4.2579 4.2604 4.2604 5.1558 5.1558 5.1676 5.1676 5.8687 5.8687 5.8723 5.8723 6.9663 6.9663 6.9698 6.9698 7.5304 7.5304 7.5343 7.5343 9.5945 9.5945 9.6578 9.6578 10.1971 10.1971 10.2265 10.2265 10.6685 10.6685 10.6890 10.6890 12.3523 12.3523 12.3741 12.3741 12.8572 12.8572 12.8891 12.8891 k = 0.5000 0.2222-0.0000 ( 2916 PWs) bands (ev): -3.9539 -3.9539 -3.9537 -3.9537 -1.2175 -1.2175 -1.2088 -1.2088 4.2778 4.2778 4.2808 4.2808 5.1662 5.1662 5.1763 5.1763 5.8326 5.8326 5.8354 5.8354 6.9977 6.9977 7.0007 7.0007 7.4692 7.4692 7.4740 7.4740 9.6214 9.6214 9.6862 9.6862 10.2025 10.2025 10.2329 10.2329 10.6704 10.6704 10.6911 10.6911 12.3612 12.3612 12.3817 12.3817 12.8683 12.8683 12.8996 12.8996 k = 0.5000 0.2328-0.0000 ( 2924 PWs) bands (ev): -3.9380 -3.9380 -3.9378 -3.9378 -1.2459 -1.2459 -1.2370 -1.2370 4.2991 4.2991 4.3027 4.3027 5.1750 5.1750 5.1836 5.1836 5.8011 5.8011 5.8031 5.8031 7.0208 7.0208 7.0233 7.0233 7.4114 7.4114 7.4171 7.4171 9.6500 9.6500 9.7163 9.7163 10.2077 10.2077 10.2389 10.2389 10.6721 10.6721 10.6931 10.6931 12.3720 12.3720 12.3910 12.3910 12.8800 12.8800 12.9106 12.9106 k = 0.5000 0.2434-0.0000 ( 2920 PWs) bands (ev): -3.9222 -3.9222 -3.9220 -3.9220 -1.2737 -1.2737 -1.2645 -1.2645 4.3218 4.3218 4.3260 4.3260 5.1807 5.1807 5.1876 5.1876 5.7760 5.7760 5.7774 5.7774 7.0318 7.0318 7.0334 7.0334 7.3615 7.3615 7.3678 7.3678 9.6798 9.6798 9.7475 9.7475 10.2127 10.2127 10.2448 10.2448 10.6738 10.6738 10.6951 10.6951 12.3846 12.3846 12.4021 12.4021 12.8921 12.8921 12.9223 12.9223 k = 0.5000 0.2540-0.0000 ( 2924 PWs) bands (ev): -3.9068 -3.9068 -3.9066 -3.9066 -1.3007 -1.3007 -1.2913 -1.2913 4.3461 4.3461 4.3507 4.3507 5.1812 5.1812 5.1865 5.1865 5.7591 5.7591 5.7600 5.7600 7.0256 7.0256 7.0257 7.0257 7.3251 7.3251 7.3317 7.3317 9.7100 9.7100 9.7790 9.7790 10.2175 10.2175 10.2504 10.2504 10.6754 10.6754 10.6969 10.6969 12.3985 12.3985 12.4145 12.4145 12.9049 12.9049 12.9345 12.9345 k = 0.5000 0.2646-0.0000 ( 2920 PWs) bands (ev): -3.8919 -3.8919 -3.8917 -3.8917 -1.3266 -1.3266 -1.3170 -1.3170 4.3719 4.3719 4.3770 4.3770 5.1751 5.1751 5.1790 5.1790 5.7520 5.7520 5.7528 5.7528 6.9970 6.9970 6.9990 6.9990 7.3059 7.3059 7.3123 7.3123 9.7400 9.7400 9.8103 9.8103 10.2222 10.2222 10.2558 10.2558 10.6769 10.6769 10.6987 10.6987 12.4136 12.4136 12.4280 12.4280 12.9182 12.9182 12.9473 12.9473 k = 0.5000 0.2751-0.0000 ( 2924 PWs) bands (ev): -3.8777 -3.8777 -3.8774 -3.8774 -1.3512 -1.3512 -1.3415 -1.3415 4.3992 4.3992 4.4048 4.4048 5.1614 5.1614 5.1641 5.1641 5.7554 5.7554 5.7564 5.7564 6.9500 6.9500 6.9543 6.9543 7.3017 7.3017 7.3076 7.3076 9.7693 9.7693 9.8408 9.8408 10.2267 10.2267 10.2608 10.2608 10.6783 10.6783 10.7003 10.7003 12.4294 12.4294 12.4422 12.4422 12.9321 12.9321 12.9607 12.9607 k = 0.5000 0.2857-0.0000 ( 2924 PWs) bands (ev): -3.8642 -3.8642 -3.8639 -3.8639 -1.3742 -1.3742 -1.3644 -1.3644 4.4280 4.4280 4.4342 4.4342 5.1404 5.1404 5.1420 5.1420 5.7691 5.7691 5.7709 5.7709 6.8909 6.8909 6.8977 6.8977 7.3064 7.3064 7.3121 7.3121 9.7973 9.7973 9.8700 9.8700 10.2309 10.2309 10.2655 10.2655 10.6796 10.6796 10.7018 10.7018 12.4455 12.4455 12.4567 12.4567 12.9464 12.9464 12.9747 12.9747 k = 0.5000 0.2963-0.0000 ( 2924 PWs) bands (ev): -3.8516 -3.8516 -3.8513 -3.8513 -1.3956 -1.3956 -1.3857 -1.3857 4.4583 4.4583 4.4650 4.4650 5.1128 5.1128 5.1137 5.1137 5.7921 5.7921 5.7951 5.7951 6.8252 6.8252 6.8343 6.8343 7.3155 7.3155 7.3211 7.3211 9.8235 9.8235 9.8972 9.8972 10.2348 10.2348 10.2699 10.2699 10.6807 10.6807 10.7032 10.7032 12.4614 12.4614 12.4712 12.4712 12.9611 12.9611 12.9890 12.9890 k = 0.5000 0.3069-0.0000 ( 2916 PWs) bands (ev): -3.8402 -3.8402 -3.8398 -3.8398 -1.4150 -1.4150 -1.4050 -1.4050 4.4900 4.4900 4.4973 4.4973 5.0803 5.0803 5.0806 5.0806 5.8229 5.8229 5.8277 5.8277 6.7560 6.7560 6.7677 6.7677 7.3259 7.3259 7.3316 7.3316 9.8476 9.8476 9.9222 9.9222 10.2385 10.2385 10.2739 10.2739 10.6818 10.6818 10.7044 10.7044 12.4767 12.4767 12.4851 12.4851 12.9758 12.9758 13.0034 13.0034 k = 0.5000 0.3175-0.0000 ( 2924 PWs) bands (ev): -3.8299 -3.8299 -3.8295 -3.8295 -1.4322 -1.4322 -1.4221 -1.4221 4.5229 4.5229 4.5308 4.5308 5.0438 5.0438 5.0442 5.0442 5.8600 5.8600 5.8670 5.8670 6.6855 6.6855 6.7000 6.7000 7.3363 7.3363 7.3420 7.3420 9.8690 9.8690 9.9443 9.9443 10.2418 10.2418 10.2774 10.2774 10.6827 10.6827 10.7055 10.7055 12.4909 12.4909 12.4979 12.4979 12.9902 12.9902 13.0175 13.0175 k = 0.5000 0.3280-0.0000 ( 2908 PWs) bands (ev): -3.8209 -3.8209 -3.8206 -3.8206 -1.4472 -1.4472 -1.4370 -1.4370 4.5568 4.5568 4.5654 4.5654 5.0050 5.0050 5.0060 5.0060 5.9014 5.9014 5.9115 5.9115 6.6152 6.6152 6.6330 6.6330 7.3458 7.3458 7.3517 7.3517 9.8876 9.8876 9.9636 9.9636 10.2448 10.2448 10.2806 10.2806 10.6836 10.6836 10.7065 10.7065 12.5036 12.5036 12.5095 12.5095 13.0038 13.0038 13.0310 13.0310 k = 0.5000 0.3386-0.0000 ( 2904 PWs) bands (ev): -3.8134 -3.8134 -3.8131 -3.8131 -1.4596 -1.4596 -1.4494 -1.4494 4.5911 4.5911 4.6007 4.6007 4.9652 4.9652 4.9671 4.9671 5.9455 5.9455 5.9596 5.9596 6.5464 6.5464 6.5683 6.5683 7.3538 7.3538 7.3599 7.3599 9.9031 9.9031 9.9796 9.9796 10.2474 10.2474 10.2832 10.2832 10.6843 10.6843 10.7073 10.7073 12.5144 12.5144 12.5194 12.5194 13.0161 13.0161 13.0431 13.0431 k = 0.5000 0.3492-0.0000 ( 2902 PWs) bands (ev): -3.8075 -3.8075 -3.8071 -3.8071 -1.4695 -1.4695 -1.4591 -1.4591 4.6249 4.6249 4.6359 4.6359 4.9260 4.9260 4.9291 4.9291 5.9898 5.9898 6.0093 6.0093 6.4809 6.4809 6.5083 6.5083 7.3602 7.3602 7.3664 7.3664 9.9154 9.9154 9.9922 9.9922 10.2494 10.2494 10.2853 10.2853 10.6848 10.6848 10.7079 10.7079 12.5231 12.5231 12.5273 12.5273 13.0264 13.0264 13.0533 13.0533 k = 0.5000 0.3598-0.0000 ( 2902 PWs) bands (ev): -3.8032 -3.8032 -3.8028 -3.8028 -1.4766 -1.4766 -1.4662 -1.4662 4.6562 4.6562 4.6693 4.6693 4.8893 4.8893 4.8944 4.8944 6.0304 6.0304 6.0571 6.0571 6.4219 6.4219 6.4566 6.4566 7.3648 7.3648 7.3712 7.3712 9.9242 9.9242 10.0012 10.0012 10.2510 10.2510 10.2868 10.2868 10.6852 10.6852 10.7084 10.7084 12.5295 12.5295 12.5330 12.5330 13.0343 13.0343 13.0611 13.0611 k = 0.5000 0.3704-0.0000 ( 2904 PWs) bands (ev): -3.8006 -3.8006 -3.8002 -3.8002 -1.4809 -1.4809 -1.4705 -1.4705 4.6809 4.6809 4.6967 4.6967 4.8598 4.8598 4.8676 4.8676 6.0610 6.0610 6.0960 6.0960 6.3763 6.3763 6.4194 6.4194 7.3676 7.3676 7.3740 7.3740 9.9295 9.9295 10.0067 10.0067 10.2519 10.2519 10.2878 10.2878 10.6854 10.6854 10.7087 10.7087 12.5333 12.5333 12.5365 12.5365 13.0392 13.0392 13.0660 13.0660 k = 0.5000 0.3810-0.0000 ( 2908 PWs) bands (ev): -3.7997 -3.7997 -3.7993 -3.7993 -1.4823 -1.4823 -1.4719 -1.4719 4.6910 4.6910 4.7085 4.7085 4.8474 4.8474 4.8568 4.8568 6.0729 6.0729 6.1123 6.1123 6.3578 6.3578 6.4053 6.4053 7.3685 7.3685 7.3750 7.3750 9.9312 9.9312 10.0085 10.0085 10.2522 10.2522 10.2880 10.2880 10.6855 10.6855 10.7087 10.7087 12.5346 12.5346 12.5377 12.5377 13.0409 13.0409 13.0677 13.0677 k = 0.5000 0.3810-0.0000 ( 2908 PWs) bands (ev): -3.7997 -3.7997 -3.7993 -3.7993 -1.4823 -1.4823 -1.4719 -1.4719 4.6910 4.6910 4.7085 4.7085 4.8474 4.8474 4.8568 4.8568 6.0729 6.0729 6.1123 6.1123 6.3578 6.3578 6.4053 6.4053 7.3685 7.3685 7.3750 7.3750 9.9312 9.9312 10.0085 10.0085 10.2522 10.2522 10.2880 10.2880 10.6855 10.6855 10.7087 10.7087 12.5346 12.5346 12.5377 12.5377 13.0409 13.0409 13.0677 13.0677 k = 0.4894 0.3810-0.0000 ( 2906 PWs) bands (ev): -3.8006 -3.8006 -3.8002 -3.8002 -1.4827 -1.4827 -1.4723 -1.4723 4.6815 4.6815 4.6983 4.6983 4.8578 4.8578 4.8678 4.8678 6.0664 6.0664 6.1059 6.1059 6.3669 6.3669 6.4143 6.4143 7.3704 7.3704 7.3768 7.3768 9.9316 9.9316 10.0088 10.0088 10.2517 10.2517 10.2875 10.2875 10.6853 10.6853 10.7085 10.7085 12.5332 12.5332 12.5364 12.5364 13.0421 13.0421 13.0688 13.0688 k = 0.4787 0.3810-0.0000 ( 2906 PWs) bands (ev): -3.8032 -3.8032 -3.8028 -3.8028 -1.4840 -1.4840 -1.4736 -1.4736 4.6580 4.6580 4.6736 4.6736 4.8839 4.8839 4.8950 4.8950 6.0494 6.0494 6.0888 6.0888 6.3916 6.3916 6.4388 6.4388 7.3760 7.3760 7.3823 7.3823 9.9326 9.9326 10.0098 10.0098 10.2501 10.2501 10.2857 10.2857 10.6845 10.6845 10.7079 10.7079 12.5291 12.5291 12.5323 12.5323 13.0455 13.0455 13.0720 13.0720 k = 0.4681 0.3810-0.0000 ( 2902 PWs) bands (ev): -3.8075 -3.8075 -3.8071 -3.8071 -1.4860 -1.4860 -1.4757 -1.4757 4.6278 4.6278 4.6423 4.6423 4.9185 4.9185 4.9304 4.9304 6.0267 6.0267 6.0659 6.0659 6.4273 6.4273 6.4741 6.4741 7.3853 7.3853 7.3915 7.3915 9.9342 9.9342 10.0114 10.0114 10.2474 10.2474 10.2828 10.2828 10.6835 10.6835 10.7069 10.7069 12.5224 12.5224 12.5257 12.5257 13.0510 13.0510 13.0773 13.0773 k = 0.4574 0.3810-0.0000 ( 2898 PWs) bands (ev): -3.8135 -3.8135 -3.8131 -3.8131 -1.4889 -1.4889 -1.4786 -1.4786 4.5947 4.5947 4.6081 4.6081 4.9575 4.9575 4.9700 4.9700 6.0025 6.0025 6.0412 6.0412 6.4698 6.4698 6.5163 6.5163 7.3985 7.3985 7.4044 7.4044 9.9366 9.9366 10.0137 10.0137 10.2437 10.2437 10.2787 10.2787 10.6821 10.6821 10.7057 10.7057 12.5133 12.5133 12.5166 12.5166 13.0584 13.0584 13.0844 13.0844 k = 0.4468 0.3810-0.0000 ( 2902 PWs) bands (ev): -3.8211 -3.8211 -3.8207 -3.8207 -1.4926 -1.4926 -1.4823 -1.4823 4.5601 4.5601 4.5726 4.5726 4.9991 4.9991 5.0120 5.0120 5.9795 5.9795 6.0176 6.0176 6.5163 6.5163 6.5625 6.5625 7.4155 7.4155 7.4210 7.4210 9.9395 9.9395 10.0167 10.0167 10.2387 10.2387 10.2733 10.2733 10.6806 10.6806 10.7043 10.7043 12.5018 12.5018 12.5052 12.5052 13.0676 13.0676 13.0931 13.0931 k = 0.4362 0.3810-0.0000 ( 2902 PWs) bands (ev): -3.8303 -3.8303 -3.8299 -3.8299 -1.4971 -1.4971 -1.4869 -1.4869 4.5246 4.5246 4.5363 4.5363 5.0425 5.0425 5.0555 5.0555 5.9598 5.9598 5.9970 5.9970 6.5651 6.5651 6.6108 6.6108 7.4364 7.4364 7.4415 7.4415 9.9432 9.9432 10.0203 10.0203 10.2325 10.2325 10.2666 10.2666 10.6791 10.6791 10.7030 10.7030 12.4883 12.4883 12.4918 12.4918 13.0781 13.0781 13.1032 13.1032 k = 0.4255 0.3810-0.0000 ( 2906 PWs) bands (ev): -3.8410 -3.8410 -3.8406 -3.8406 -1.5024 -1.5024 -1.4922 -1.4922 4.4885 4.4885 4.4993 4.4993 5.0870 5.0870 5.1000 5.1000 5.9445 5.9445 5.9806 5.9806 6.6149 6.6149 6.6601 6.6601 7.4614 7.4614 7.4659 7.4659 9.9474 9.9474 10.0245 10.0245 10.2251 10.2251 10.2587 10.2587 10.6777 10.6777 10.7018 10.7018 12.4728 12.4728 12.4764 12.4764 13.0899 13.0899 13.1144 13.1144 k = 0.4149 0.3810-0.0000 ( 2906 PWs) bands (ev): -3.8531 -3.8531 -3.8528 -3.8528 -1.5085 -1.5085 -1.4984 -1.4984 4.4519 4.4519 4.4618 4.4618 5.1323 5.1323 5.1450 5.1450 5.9348 5.9348 5.9695 5.9695 6.6649 6.6649 6.7093 6.7093 7.4905 7.4905 7.4943 7.4943 9.9524 9.9524 10.0294 10.0294 10.2163 10.2163 10.2494 10.2494 10.6767 10.6767 10.7009 10.7009 12.4556 12.4556 12.4593 12.4593 13.1026 13.1026 13.1264 13.1264 k = 0.4043 0.3810-0.0000 ( 2906 PWs) bands (ev): -3.8667 -3.8667 -3.8663 -3.8663 -1.5153 -1.5153 -1.5053 -1.5053 4.4146 4.4146 4.4236 4.4236 5.1779 5.1779 5.1901 5.1901 5.9313 5.9313 5.9645 5.9645 6.7144 6.7144 6.7580 6.7580 7.5236 7.5236 7.5265 7.5265 9.9580 9.9580 10.0350 10.0350 10.2063 10.2063 10.2390 10.2390 10.6763 10.6763 10.7006 10.7006 12.4368 12.4368 12.4406 12.4406 13.1159 13.1159 13.1391 13.1391 k = 0.3936 0.3810-0.0000 ( 2912 PWs) bands (ev): -3.8814 -3.8814 -3.8811 -3.8811 -1.5229 -1.5229 -1.5129 -1.5129 4.3767 4.3767 4.3848 4.3848 5.2234 5.2234 5.2350 5.2350 5.9347 5.9347 5.9661 5.9661 6.7629 6.7629 6.8054 6.8054 7.5607 7.5607 7.5626 7.5626 9.9642 9.9642 10.0411 10.0411 10.1949 10.1949 10.2273 10.2273 10.6765 10.6765 10.7008 10.7008 12.4166 12.4166 12.4205 12.4205 13.1297 13.1297 13.1522 13.1522 k = 0.3830 0.3810-0.0000 ( 2908 PWs) bands (ev): -3.8974 -3.8974 -3.8971 -3.8971 -1.5312 -1.5312 -1.5213 -1.5213 4.3382 4.3382 4.3454 4.3454 5.2685 5.2685 5.2792 5.2792 5.9454 5.9454 5.9747 5.9747 6.8100 6.8100 6.8514 6.8514 7.6017 7.6017 7.6026 7.6026 9.9710 9.9710 10.0479 10.0479 10.1823 10.1823 10.2146 10.2146 10.6777 10.6777 10.7019 10.7019 12.3952 12.3952 12.3992 12.3992 13.1438 13.1438 13.1654 13.1654 k = 0.3723 0.3810-0.0000 ( 2912 PWs) bands (ev): -3.9144 -3.9144 -3.9142 -3.9142 -1.5401 -1.5401 -1.5304 -1.5304 4.2990 4.2990 4.3054 4.3054 5.3129 5.3129 5.3226 5.3226 5.9638 5.9638 5.9908 5.9908 6.8556 6.8556 6.8957 6.8957 7.6460 7.6460 7.6462 7.6462 9.9783 9.9783 10.0553 10.0553 10.1687 10.1687 10.2010 10.2010 10.6798 10.6798 10.7036 10.7036 12.3726 12.3726 12.3768 12.3768 13.1578 13.1578 13.1787 13.1787 k = 0.3617 0.3810-0.0000 ( 2906 PWs) bands (ev): -3.9324 -3.9324 -3.9322 -3.9322 -1.5497 -1.5497 -1.5401 -1.5401 4.2592 4.2592 4.2647 4.2647 5.3566 5.3566 5.3649 5.3649 5.9897 5.9897 6.0144 6.0144 6.8995 6.8995 6.9382 6.9382 7.6926 7.6926 7.6941 7.6941 9.9861 9.9861 10.0633 10.0633 10.1541 10.1541 10.1869 10.1869 10.6828 10.6828 10.7063 10.7063 12.3493 12.3493 12.3536 12.3536 13.1718 13.1718 13.1919 13.1919 k = 0.3511 0.3810-0.0000 ( 2900 PWs) bands (ev): -3.9513 -3.9513 -3.9511 -3.9511 -1.5599 -1.5599 -1.5505 -1.5505 4.2189 4.2189 4.2236 4.2236 5.3993 5.3993 5.4063 5.4063 6.0231 6.0231 6.0453 6.0453 6.9416 6.9416 6.9789 6.9789 7.7422 7.7422 7.7448 7.7448 9.9941 9.9941 10.0715 10.0715 10.1390 10.1390 10.1725 10.1725 10.6870 10.6870 10.7099 10.7099 12.3251 12.3251 12.3297 12.3297 13.1856 13.1856 13.2048 13.2048 k = 0.3404 0.3810-0.0000 ( 2904 PWs) bands (ev): -3.9709 -3.9709 -3.9707 -3.9707 -1.5707 -1.5707 -1.5614 -1.5614 4.1781 4.1781 4.1820 4.1820 5.4412 5.4412 5.4468 5.4468 6.0635 6.0635 6.0832 6.0832 6.9821 6.9821 7.0179 7.0179 7.7943 7.7943 7.7979 7.7979 10.0020 10.0020 10.0795 10.0795 10.1240 10.1240 10.1583 10.1583 10.6921 10.6921 10.7142 10.7142 12.3003 12.3003 12.3052 12.3052 13.1990 13.1990 13.2173 13.2173 k = 0.3298 0.3810-0.0000 ( 2908 PWs) bands (ev): -3.9912 -3.9912 -3.9910 -3.9910 -1.5820 -1.5820 -1.5729 -1.5729 4.1369 4.1369 4.1401 4.1401 5.4825 5.4825 5.4867 5.4867 6.1104 6.1104 6.1277 6.1277 7.0210 7.0210 7.0553 7.0553 7.8483 7.8483 7.8529 7.8529 10.0094 10.0094 10.0848 10.0848 10.1118 10.1118 10.1450 10.1450 10.6982 10.6982 10.7194 10.7194 12.2752 12.2752 12.2803 12.2803 13.2120 13.2120 13.2293 13.2293 k = 0.3191 0.3810-0.0000 ( 2916 PWs) bands (ev): -4.0120 -4.0120 -4.0118 -4.0118 -1.5938 -1.5938 -1.5848 -1.5848 4.0956 4.0956 4.0981 4.0981 5.5234 5.5234 5.5263 5.5263 6.1629 6.1629 6.1780 6.1780 7.0584 7.0584 7.0912 7.0912 7.9039 7.9039 7.9092 7.9092 10.0156 10.0156 10.0796 10.0796 10.1104 10.1104 10.1336 10.1336 10.7054 10.7054 10.7254 10.7254 12.2499 12.2499 12.2553 12.2553 13.2244 13.2244 13.2409 13.2409 k = 0.3085 0.3810-0.0000 ( 2908 PWs) bands (ev): -4.0332 -4.0332 -4.0331 -4.0331 -1.6060 -1.6060 -1.5972 -1.5972 4.0542 4.0542 4.0560 4.0560 5.5641 5.5641 5.5660 5.5660 6.2204 6.2204 6.2335 6.2335 7.0947 7.0947 7.1261 7.1261 7.9604 7.9604 7.9664 7.9664 10.0195 10.0195 10.0659 10.0659 10.1181 10.1181 10.1254 10.1254 10.7135 10.7135 10.7321 10.7321 12.2248 12.2248 12.2306 12.2306 13.2364 13.2364 13.2519 13.2519 k = 0.2979 0.3810-0.0000 ( 2904 PWs) bands (ev): -4.0548 -4.0548 -4.0546 -4.0546 -1.6185 -1.6185 -1.6099 -1.6099 4.0128 4.0128 4.0141 4.0141 5.6051 5.6051 5.6060 5.6060 6.2819 6.2819 6.2933 6.2933 7.1300 7.1300 7.1599 7.1599 8.0174 8.0174 8.0239 8.0239 10.0199 10.0199 10.0503 10.0503 10.1216 10.1216 10.1283 10.1283 10.7225 10.7225 10.7396 10.7396 12.2000 12.2000 12.2062 12.2062 13.2478 13.2478 13.2623 13.2623 k = 0.2872 0.3810-0.0000 ( 2904 PWs) bands (ev): -4.0765 -4.0765 -4.0764 -4.0764 -1.6314 -1.6314 -1.6230 -1.6230 3.9717 3.9717 3.9725 3.9725 5.6463 5.6463 5.6466 5.6466 6.3468 6.3468 6.3567 6.3567 7.1645 7.1645 7.1931 7.1931 8.0743 8.0743 8.0810 8.0810 10.0165 10.0165 10.0347 10.0347 10.1229 10.1229 10.1394 10.1394 10.7321 10.7321 10.7476 10.7476 12.1760 12.1760 12.1826 12.1826 13.2586 13.2586 13.2722 13.2722 k = 0.2766 0.3810-0.0000 ( 2912 PWs) bands (ev): -4.0984 -4.0984 -4.0983 -4.0983 -1.6445 -1.6445 -1.6363 -1.6363 3.9310 3.9310 3.9313 3.9313 5.6878 5.6878 5.6883 5.6883 6.4140 6.4140 6.4227 6.4227 7.1986 7.1986 7.2258 7.2258 8.1305 8.1305 8.1373 8.1373 10.0099 10.0099 10.0198 10.0198 10.1288 10.1288 10.1508 10.1508 10.7424 10.7424 10.7559 10.7559 12.1529 12.1529 12.1601 12.1601 13.2687 13.2687 13.2814 13.2814 k = 0.2660 0.3810-0.0000 ( 2908 PWs) bands (ev): -4.1203 -4.1203 -4.1202 -4.1202 -1.6577 -1.6577 -1.6497 -1.6497 3.8907 3.8907 3.8908 3.8908 5.7299 5.7299 5.7308 5.7308 6.4829 6.4829 6.4906 6.4906 7.2326 7.2326 7.2585 7.2585 8.1857 8.1857 8.1923 8.1923 10.0017 10.0017 10.0059 10.0059 10.1379 10.1379 10.1625 10.1625 10.7533 10.7533 10.7648 10.7648 12.1313 12.1313 12.1390 12.1390 13.2783 13.2783 13.2901 13.2901 k = 0.2553 0.3810-0.0000 ( 2912 PWs) bands (ev): -4.1421 -4.1421 -4.1420 -4.1420 -1.6711 -1.6711 -1.6633 -1.6633 3.8508 3.8508 3.8513 3.8513 5.7728 5.7728 5.7740 5.7740 6.5525 6.5525 6.5595 6.5595 7.2669 7.2669 7.2914 7.2914 8.2392 8.2392 8.2454 8.2454 9.9928 9.9928 9.9935 9.9935 10.1492 10.1492 10.1743 10.1743 10.7646 10.7646 10.7738 10.7738 12.1114 12.1114 12.1197 12.1197 13.2872 13.2872 13.2982 13.2982 k = 0.2447 0.3810-0.0000 ( 2916 PWs) bands (ev): -4.1637 -4.1637 -4.1636 -4.1636 -1.6845 -1.6845 -1.6770 -1.6770 3.8118 3.8118 3.8125 3.8125 5.8165 5.8165 5.8179 5.8179 6.6220 6.6220 6.6285 6.6285 7.3020 7.3020 7.3250 7.3250 8.2907 8.2907 8.2964 8.2964 9.9821 9.9821 9.9848 9.9848 10.1619 10.1619 10.1860 10.1860 10.7762 10.7762 10.7831 10.7831 12.0938 12.0938 12.1026 12.1026 13.2954 13.2954 13.3058 13.3058 k = 0.2340 0.3810-0.0000 ( 2912 PWs) bands (ev): -4.1851 -4.1851 -4.1850 -4.1850 -1.6979 -1.6979 -1.6907 -1.6907 3.7737 3.7737 3.7747 3.7747 5.8609 5.8609 5.8625 5.8625 6.6903 6.6903 6.6966 6.6966 7.3383 7.3383 7.3599 7.3599 8.3398 8.3398 8.3448 8.3448 9.9727 9.9727 9.9774 9.9774 10.1755 10.1755 10.1976 10.1976 10.7880 10.7880 10.7924 10.7924 12.0789 12.0789 12.0882 12.0882 13.3030 13.3030 13.3128 13.3128 k = 0.2234 0.3810-0.0000 ( 2912 PWs) bands (ev): -4.2060 -4.2060 -4.2059 -4.2059 -1.7112 -1.7112 -1.7042 -1.7042 3.7367 3.7367 3.7379 3.7379 5.9060 5.9060 5.9077 5.9077 6.7565 6.7565 6.7627 6.7627 7.3765 7.3765 7.3965 7.3965 8.3861 8.3861 8.3903 8.3903 9.9650 9.9650 9.9712 9.9712 10.1896 10.1896 10.2089 10.2089 10.7998 10.7998 10.8017 10.8017 12.0671 12.0671 12.0769 12.0769 13.3099 13.3099 13.3191 13.3191 k = 0.2128 0.3810-0.0000 ( 2904 PWs) bands (ev): -4.2266 -4.2266 -4.2265 -4.2265 -1.7243 -1.7243 -1.7176 -1.7176 3.7008 3.7008 3.7022 3.7022 5.9516 5.9516 5.9532 5.9532 6.8194 6.8194 6.8258 6.8258 7.4170 7.4170 7.4354 7.4354 8.4295 8.4295 8.4327 8.4327 9.9591 9.9591 9.9664 9.9664 10.2038 10.2038 10.2198 10.2198 10.8107 10.8107 10.8121 10.8121 12.0590 12.0590 12.0692 12.0692 13.3160 13.3160 13.3249 13.3249 k = 0.2021 0.3810-0.0000 ( 2900 PWs) bands (ev): -4.2466 -4.2466 -4.2465 -4.2465 -1.7373 -1.7373 -1.7309 -1.7309 3.6663 3.6663 3.6678 3.6678 5.9975 5.9975 5.9991 5.9991 6.8782 6.8782 6.8849 6.8849 7.4605 7.4605 7.4772 7.4772 8.4698 8.4698 8.4721 8.4721 9.9549 9.9549 9.9630 9.9630 10.2181 10.2181 10.2303 10.2303 10.8197 10.8197 10.8237 10.8237 12.0549 12.0549 12.0654 12.0654 13.3213 13.3213 13.3299 13.3299 k = 0.1915 0.3810-0.0000 ( 2900 PWs) bands (ev): -4.2660 -4.2660 -4.2659 -4.2659 -1.7499 -1.7499 -1.7438 -1.7438 3.6330 3.6330 3.6347 3.6347 6.0436 6.0436 6.0451 6.0451 6.9318 6.9318 6.9391 6.9391 7.5072 7.5072 7.5220 7.5220 8.5072 8.5072 8.5084 8.5084 9.9521 9.9521 9.9607 9.9607 10.2321 10.2321 10.2403 10.2403 10.8282 10.8282 10.8351 10.8351 12.0553 12.0553 12.0660 12.0660 13.3257 13.3257 13.3342 13.3342 k = 0.1809 0.3810-0.0000 ( 2896 PWs) bands (ev): -4.2848 -4.2848 -4.2847 -4.2847 -1.7623 -1.7623 -1.7565 -1.7565 3.6013 3.6013 3.6029 3.6029 6.0897 6.0897 6.0911 6.0911 6.9798 6.9798 6.9876 6.9876 7.5571 7.5571 7.5701 7.5701 8.5416 8.5416 8.5419 8.5419 9.9505 9.9505 9.9593 9.9593 10.2458 10.2458 10.2497 10.2497 10.8365 10.8365 10.8463 10.8463 12.0607 12.0607 12.0714 12.0714 13.3290 13.3290 13.3375 13.3375 k = 0.1702 0.3810-0.0000 ( 2896 PWs) bands (ev): -4.3028 -4.3028 -4.3027 -4.3027 -1.7742 -1.7742 -1.7687 -1.7687 3.5710 3.5710 3.5727 3.5727 6.1356 6.1356 6.1369 6.1369 7.0219 7.0219 7.0301 7.0301 7.6097 7.6097 7.6210 7.6210 8.5729 8.5729 8.5738 8.5738 9.9495 9.9495 9.9585 9.9585 10.2586 10.2586 10.2590 10.2590 10.8443 10.8443 10.8569 10.8569 12.0713 12.0713 12.0818 12.0818 13.3310 13.3310 13.3398 13.3398 k = 0.1596 0.3810-0.0000 ( 2896 PWs) bands (ev): -4.3201 -4.3201 -4.3200 -4.3200 -1.7857 -1.7857 -1.7805 -1.7805 3.5422 3.5422 3.5440 3.5440 6.1811 6.1811 6.1822 6.1822 7.0580 7.0580 7.0667 7.0667 7.6644 7.6644 7.6740 7.6740 8.6021 8.6021 8.6039 8.6039 9.9488 9.9488 9.9577 9.9577 10.2671 10.2671 10.2716 10.2716 10.8517 10.8517 10.8671 10.8671 12.0874 12.0874 12.0975 12.0975 13.3316 13.3316 13.3408 13.3408 k = 0.1489 0.3810-0.0000 ( 2908 PWs) bands (ev): -4.3365 -4.3365 -4.3364 -4.3364 -1.7967 -1.7967 -1.7919 -1.7919 3.5151 3.5151 3.5168 3.5168 6.2258 6.2258 6.2268 6.2268 7.0887 7.0887 7.0977 7.0977 7.7198 7.7198 7.7280 7.7280 8.6300 8.6300 8.6328 8.6328 9.9476 9.9476 9.9564 9.9564 10.2751 10.2751 10.2835 10.2835 10.8587 10.8587 10.8766 10.8766 12.1090 12.1090 12.1186 12.1186 13.3304 13.3304 13.3403 13.3403 k = 0.1383 0.3810-0.0000 ( 2900 PWs) bands (ev): -4.3520 -4.3520 -4.3519 -4.3519 -1.8072 -1.8072 -1.8026 -1.8026 3.4897 3.4897 3.4914 3.4914 6.2697 6.2697 6.2705 6.2705 7.1144 7.1144 7.1235 7.1235 7.7748 7.7748 7.7817 7.7817 8.6575 8.6575 8.6611 8.6611 9.9456 9.9456 9.9542 9.9542 10.2830 10.2830 10.2949 10.2949 10.8654 10.8654 10.8856 10.8856 12.1364 12.1364 12.1452 12.1452 13.3273 13.3273 13.3380 13.3380 k = 0.1277 0.3810-0.0000 ( 2888 PWs) bands (ev): -4.3665 -4.3665 -4.3664 -4.3664 -1.8170 -1.8170 -1.8128 -1.8128 3.4660 3.4660 3.4676 3.4676 6.3124 6.3124 6.3131 6.3131 7.1358 7.1358 7.1448 7.1448 7.8279 7.8279 7.8336 7.8336 8.6854 8.6854 8.6896 8.6896 9.9422 9.9422 9.9506 9.9506 10.2908 10.2908 10.3056 10.3056 10.8719 10.8719 10.8940 10.8940 12.1694 12.1694 12.1772 12.1772 13.3216 13.3216 13.3333 13.3333 k = 0.1170 0.3810-0.0000 ( 2894 PWs) bands (ev): -4.3800 -4.3800 -4.3800 -4.3800 -1.8263 -1.8263 -1.8224 -1.8224 3.4441 3.4441 3.4456 3.4456 6.3537 6.3537 6.3542 6.3542 7.1532 7.1532 7.1620 7.1620 7.8776 7.8776 7.8824 7.8824 8.7143 8.7143 8.7191 8.7191 9.9369 9.9369 9.9451 9.9451 10.2984 10.2984 10.3154 10.3154 10.8781 10.8781 10.9015 10.9015 12.2077 12.2077 12.2143 12.2143 13.3131 13.3131 13.3259 13.3259 k = 0.1064 0.3810-0.0000 ( 2894 PWs) bands (ev): -4.3925 -4.3925 -4.3925 -4.3925 -1.8348 -1.8348 -1.8313 -1.8313 3.4239 3.4239 3.4253 3.4253 6.3932 6.3932 6.3937 6.3937 7.1674 7.1674 7.1758 7.1758 7.9231 7.9231 7.9270 7.9270 8.7448 8.7448 8.7501 8.7501 9.9295 9.9295 9.9376 9.9376 10.3060 10.3060 10.3245 10.3245 10.8841 10.8841 10.9084 10.9084 12.2510 12.2510 12.2564 12.2564 13.3011 13.3011 13.3150 13.3150 k = 0.0957 0.3810-0.0000 ( 2896 PWs) bands (ev): -4.4040 -4.4040 -4.4039 -4.4039 -1.8426 -1.8426 -1.8394 -1.8394 3.4056 3.4056 3.4069 3.4069 6.4306 6.4306 6.4310 6.4310 7.1786 7.1786 7.1866 7.1866 7.9632 7.9632 7.9664 7.9664 8.7773 8.7773 8.7829 8.7829 9.9199 9.9199 9.9280 9.9280 10.3136 10.3136 10.3329 10.3329 10.8899 10.8899 10.9145 10.9145 12.2990 12.2990 12.3029 12.3029 13.2850 13.2850 13.3000 13.3000 k = 0.0851 0.3810-0.0000 ( 2900 PWs) bands (ev): -4.4143 -4.4143 -4.4142 -4.4142 -1.8497 -1.8497 -1.8468 -1.8468 3.3892 3.3892 3.3904 3.3904 6.4655 6.4655 6.4659 6.4659 7.1874 7.1874 7.1948 7.1948 7.9977 7.9977 8.0003 8.0003 8.8116 8.8116 8.8173 8.8173 9.9082 9.9082 9.9163 9.9163 10.3211 10.3211 10.3404 10.3404 10.8955 10.8955 10.9197 10.9197 12.3510 12.3510 12.3535 12.3535 13.2643 13.2643 13.2802 13.2802 k = 0.0745 0.3810-0.0000 ( 2900 PWs) bands (ev): -4.4234 -4.4234 -4.4234 -4.4234 -1.8560 -1.8560 -1.8535 -1.8535 3.3746 3.3746 3.3757 3.3757 6.4977 6.4977 6.4981 6.4981 7.1942 7.1942 7.2009 7.2009 8.0264 8.0264 8.0284 8.0284 8.8471 8.8471 8.8529 8.8529 9.8949 9.8949 9.9027 9.9027 10.3285 10.3285 10.3470 10.3470 10.9010 10.9010 10.9241 10.9241 12.4064 12.4064 12.4074 12.4074 13.2385 13.2385 13.2549 13.2549 k = 0.0638 0.3810-0.0000 ( 2896 PWs) bands (ev): -4.4314 -4.4314 -4.4314 -4.4314 -1.8615 -1.8615 -1.8593 -1.8593 3.3619 3.3619 3.3629 3.3629 6.5267 6.5267 6.5272 6.5272 7.1992 7.1992 7.2052 7.2052 8.0496 8.0496 8.0512 8.0512 8.8829 8.8829 8.8885 8.8885 9.8803 9.8803 9.8879 9.8879 10.3355 10.3355 10.3527 10.3527 10.9063 10.9063 10.9277 10.9277 12.4639 12.4639 12.4646 12.4646 13.2074 13.2074 13.2240 13.2240 k = 0.0532 0.3810-0.0000 ( 2904 PWs) bands (ev): -4.4382 -4.4382 -4.4382 -4.4382 -1.8661 -1.8661 -1.8643 -1.8643 3.3512 3.3512 3.3520 3.3520 6.5521 6.5521 6.5526 6.5526 7.2029 7.2029 7.2080 7.2080 8.0677 8.0677 8.0689 8.0689 8.9176 8.9176 8.9229 8.9229 9.8653 9.8653 9.8724 9.8724 10.3421 10.3421 10.3572 10.3572 10.9113 10.9113 10.9303 10.9303 12.5221 12.5221 12.5242 12.5242 13.1712 13.1712 13.1873 13.1873 k = 0.0426 0.3810-0.0000 ( 2904 PWs) bands (ev): -4.4438 -4.4438 -4.4438 -4.4438 -1.8699 -1.8699 -1.8685 -1.8685 3.3424 3.3424 3.3431 3.3431 6.5736 6.5736 6.5741 6.5741 7.2055 7.2055 7.2096 7.2096 8.0814 8.0814 8.0822 8.0822 8.9497 8.9497 8.9544 8.9544 9.8510 9.8510 9.8572 9.8572 10.3480 10.3480 10.3608 10.3608 10.9160 10.9160 10.9320 10.9320 12.5808 12.5808 12.5842 12.5842 13.1308 13.1308 13.1460 13.1460 k = 0.0319 0.3810-0.0000 ( 2896 PWs) bands (ev): -4.4482 -4.4482 -4.4481 -4.4481 -1.8728 -1.8728 -1.8717 -1.8717 3.3356 3.3356 3.3361 3.3361 6.5909 6.5909 6.5914 6.5914 7.2073 7.2073 7.2105 7.2105 8.0913 8.0913 8.0919 8.0919 8.9774 8.9774 8.9813 8.9813 9.8383 9.8383 9.8434 9.8434 10.3533 10.3533 10.3632 10.3632 10.9204 10.9204 10.9328 10.9328 12.6380 12.6380 12.6424 12.6424 13.0882 13.0882 13.1017 13.1017 k = 0.0213 0.3810-0.0000 ( 2900 PWs) bands (ev): -4.4513 -4.4513 -4.4513 -4.4513 -1.8749 -1.8749 -1.8742 -1.8742 3.3308 3.3308 3.3311 3.3311 6.6034 6.6034 6.6039 6.6039 7.2085 7.2085 7.2107 7.2107 8.0979 8.0979 8.0983 8.0983 8.9990 8.9990 9.0017 9.0017 9.8284 9.8284 9.8321 9.8321 10.3576 10.3576 10.3644 10.3644 10.9241 10.9241 10.9327 10.9327 12.6903 12.6903 12.6950 12.6950 13.0470 13.0470 13.0579 13.0579 k = 0.0106 0.3810-0.0000 ( 2908 PWs) bands (ev): -4.4532 -4.4532 -4.4531 -4.4531 -1.8761 -1.8761 -1.8757 -1.8757 3.3279 3.3279 3.3280 3.3280 6.6111 6.6111 6.6115 6.6115 7.2093 7.2093 7.2105 7.2105 8.1017 8.1017 8.1020 8.1020 9.0129 9.0129 9.0144 9.0144 9.8224 9.8224 9.8244 9.8244 10.3608 10.3608 10.3643 10.3643 10.9273 10.9273 10.9317 10.9317 12.7313 12.7313 12.7348 12.7348 13.0147 13.0147 13.0212 13.0212 k = 0.0000 0.3810-0.0000 ( 2910 PWs) bands (ev): -4.4538 -4.4538 -4.4538 -4.4538 -1.8764 -1.8764 -1.8762 -1.8762 3.3269 3.3269 3.3270 3.3270 6.6136 6.6136 6.6141 6.6141 7.2098 7.2098 7.2102 7.2102 8.1029 8.1029 8.1031 8.1031 9.0180 9.0180 9.0184 9.0184 9.8206 9.8206 9.8213 9.8213 10.3626 10.3626 10.3636 10.3636 10.9295 10.9295 10.9302 10.9302 12.7489 12.7489 12.7496 12.7496 13.0036 13.0036 13.0039 13.0039 k = 0.0000 0.3810-0.0000 ( 2910 PWs) bands (ev): -4.4538 -4.4538 -4.4538 -4.4538 -1.8764 -1.8764 -1.8762 -1.8762 3.3269 3.3269 3.3270 3.3270 6.6136 6.6136 6.6141 6.6141 7.2098 7.2098 7.2102 7.2102 8.1029 8.1029 8.1031 8.1031 9.0180 9.0180 9.0184 9.0184 9.8206 9.8206 9.8213 9.8213 10.3626 10.3626 10.3636 10.3636 10.9295 10.9295 10.9302 10.9302 12.7489 12.7489 12.7496 12.7496 13.0036 13.0036 13.0039 13.0039 k = 0.0000 0.3704-0.0000 ( 2900 PWs) bands (ev): -4.5181 -4.5181 -4.3895 -4.3895 -1.8941 -1.8941 -1.8573 -1.8573 3.3113 3.3113 3.3467 3.3467 6.6007 6.6007 6.6285 6.6285 7.1648 7.1648 7.2396 7.2396 8.0401 8.0401 8.1770 8.1770 8.9695 8.9695 9.0657 9.0657 9.7835 9.7835 9.8558 9.8558 10.3597 10.3597 10.3659 10.3659 10.8914 10.8914 10.9650 10.9650 12.7068 12.7068 12.7964 12.7964 12.9953 12.9953 13.0112 13.0112 k = 0.0000 0.3598-0.0000 ( 2892 PWs) bands (ev): -4.5820 -4.5820 -4.3254 -4.3254 -1.9102 -1.9102 -1.8374 -1.8374 3.2999 3.2999 3.3702 3.3702 6.5890 6.5890 6.6446 6.6446 7.1024 7.1024 7.2561 7.2561 7.9902 7.9902 8.2586 8.2586 8.9198 8.9198 9.1120 9.1120 9.7436 9.7436 9.8879 9.8879 10.3553 10.3553 10.3676 10.3676 10.8504 10.8504 10.9958 10.9958 12.6703 12.6703 12.8472 12.8472 12.9862 12.9862 13.0171 13.0171 k = 0.0000 0.3492-0.0000 ( 2892 PWs) bands (ev): -4.6455 -4.6455 -4.2618 -4.2618 -1.9245 -1.9245 -1.8167 -1.8167 3.2927 3.2927 3.3976 3.3976 6.5787 6.5787 6.6621 6.6621 7.0229 7.0229 7.2623 7.2623 7.9536 7.9536 8.3442 8.3442 8.8691 8.8691 9.1570 9.1570 9.7018 9.7018 9.9169 9.9169 10.3499 10.3499 10.3685 10.3685 10.8077 10.8077 11.0213 11.0213 12.6407 12.6407 12.9009 12.9009 12.9769 12.9769 13.0211 13.0211 k = 0.0000 0.3386-0.0000 ( 2894 PWs) bands (ev): -4.7082 -4.7082 -4.1990 -4.1990 -1.9364 -1.9364 -1.7957 -1.7957 3.2900 3.2900 3.4284 3.4284 6.5699 6.5699 6.6809 6.6809 6.9281 6.9281 7.2607 7.2607 7.9290 7.9290 8.4300 8.4300 8.8174 8.8174 9.2006 9.2006 9.6589 9.6589 9.9430 9.9430 10.3435 10.3435 10.3686 10.3686 10.7638 10.7638 11.0404 11.0404 12.6193 12.6193 12.9550 12.9550 12.9694 12.9694 13.0227 13.0227 k = 0.0000 0.3280-0.0000 ( 2894 PWs) bands (ev): -4.7701 -4.7701 -4.1374 -4.1374 -1.9456 -1.9456 -1.7745 -1.7745 3.2919 3.2919 3.4627 3.4627 6.5626 6.5626 6.7010 6.7010 6.8206 6.8206 7.2534 7.2534 7.9140 7.9140 8.5124 8.5124 8.7650 8.7650 9.2426 9.2426 9.6164 9.6164 9.9661 9.9661 10.3363 10.3363 10.3680 10.3680 10.7193 10.7193 11.0523 11.0523 12.6071 12.6071 12.9584 12.9584 13.0141 13.0141 13.0221 13.0221 k = 0.0000 0.3175-0.0000 ( 2894 PWs) bands (ev): -4.8310 -4.8310 -4.0774 -4.0774 -1.9517 -1.9517 -1.7533 -1.7533 3.2984 3.2984 3.5002 3.5002 6.5567 6.5567 6.7020 6.7020 6.7234 6.7234 7.2418 7.2418 7.9062 7.9062 8.5873 8.5873 8.7119 8.7119 9.2831 9.2831 9.5762 9.5762 9.9864 9.9864 10.3283 10.3283 10.3668 10.3668 10.6747 10.6747 11.0562 11.0562 12.6047 12.6047 12.9514 12.9514 13.0162 13.0162 13.0728 13.0728 k = 0.0000 0.3069-0.0000 ( 2898 PWs) bands (ev): -4.8907 -4.8907 -4.0193 -4.0193 -1.9543 -1.9543 -1.7324 -1.7324 3.3097 3.3097 3.5407 3.5407 6.5524 6.5524 6.5773 6.5773 6.7455 6.7455 7.2270 7.2270 7.9034 7.9034 8.6491 8.6491 8.6594 8.6594 9.3217 9.3217 9.5415 9.5415 10.0037 10.0037 10.3195 10.3195 10.3650 10.3650 10.6302 10.6302 11.0519 11.0519 12.6128 12.6128 12.9460 12.9460 13.0061 13.0061 13.1311 13.1311 k = 0.0000 0.2963-0.0000 ( 2900 PWs) bands (ev): -4.9491 -4.9491 -3.9636 -3.9636 -1.9528 -1.9528 -1.7118 -1.7118 3.3257 3.3257 3.5840 3.5840 6.4462 6.4462 6.5496 6.5496 6.7695 6.7695 7.2101 7.2101 7.9039 7.9039 8.6037 8.6037 8.6965 8.6965 9.3585 9.3585 9.5163 9.5163 10.0180 10.0180 10.3103 10.3103 10.3627 10.3627 10.5863 10.5863 11.0395 11.0395 12.6313 12.6313 12.9424 12.9424 12.9889 12.9889 13.1285 13.1285 k = 0.0000 0.2857-0.0000 ( 2898 PWs) bands (ev): -5.0061 -5.0061 -3.9107 -3.9107 -1.9470 -1.9470 -1.6917 -1.6917 3.3467 3.3467 3.6299 3.6299 6.3108 6.3108 6.5482 6.5482 6.7947 6.7947 7.1915 7.1915 7.9065 7.9065 8.5491 8.5491 8.7204 8.7204 9.3931 9.3931 9.5049 9.5049 10.0292 10.0292 10.3008 10.3008 10.3600 10.3600 10.5432 10.5432 11.0193 11.0193 12.6599 12.6599 12.9387 12.9387 12.9642 12.9642 13.0850 13.0850 k = 0.0000 0.2751-0.0000 ( 2890 PWs) bands (ev): -5.0616 -5.0616 -3.8610 -3.8610 -1.9363 -1.9363 -1.6723 -1.6723 3.3725 3.3725 3.6782 3.6782 6.1724 6.1724 6.5484 6.5484 6.8210 6.8210 7.1718 7.1718 7.9099 7.9099 8.4942 8.4942 8.7190 8.7190 9.4251 9.4251 9.5102 9.5102 10.0372 10.0372 10.2915 10.2915 10.3572 10.3572 10.5012 10.5012 10.9921 10.9921 12.6980 12.6980 12.9149 12.9149 12.9523 12.9523 13.0521 13.0521 k = 0.0000 0.2646-0.0000 ( 2886 PWs) bands (ev): -5.1155 -5.1155 -3.8147 -3.8147 -1.9206 -1.9206 -1.6536 -1.6536 3.4033 3.4033 3.7286 3.7286 6.0319 6.0319 6.5501 6.5501 6.8485 6.8485 7.1514 7.1514 7.9133 7.9133 8.4390 8.4390 8.6921 8.6921 9.4548 9.4548 9.5317 9.5317 10.0414 10.0414 10.2828 10.2828 10.3541 10.3541 10.4603 10.4603 10.9590 10.9590 12.7445 12.7445 12.8715 12.8715 12.9572 12.9572 13.0262 13.0262 k = 0.0000 0.2540-0.0000 ( 2882 PWs) bands (ev): -5.1678 -5.1678 -3.7723 -3.7723 -1.8995 -1.8995 -1.6358 -1.6358 3.4391 3.4391 3.7808 3.7808 5.8903 5.8903 6.5532 6.5532 6.8770 6.8770 7.1306 7.1306 7.9163 7.9163 8.3837 8.3837 8.6428 8.6428 9.4827 9.4827 9.5650 9.5650 10.0417 10.0417 10.2751 10.2751 10.3511 10.3511 10.4209 10.4209 10.9209 10.9209 12.7971 12.7971 12.8261 12.8261 12.9668 12.9668 13.0040 13.0040 k = 0.0000 0.2434-0.0000 ( 2888 PWs) bands (ev): -5.2183 -5.2183 -3.7340 -3.7340 -1.8728 -1.8728 -1.6189 -1.6189 3.4798 3.4798 3.8346 3.8346 5.7482 5.7482 6.5578 6.5578 6.9063 6.9063 7.1095 7.1095 7.9182 7.9182 8.3284 8.3284 8.5754 8.5754 9.5088 9.5088 9.6056 9.6056 10.0378 10.0378 10.2686 10.2686 10.3479 10.3479 10.3832 10.3832 10.8790 10.8790 12.7757 12.7757 12.8613 12.8613 12.9692 12.9692 12.9939 12.9939 k = 0.0000 0.2328-0.0000 ( 2884 PWs) bands (ev): -5.2671 -5.2671 -3.6998 -3.6998 -1.8406 -1.8406 -1.6029 -1.6029 3.5254 3.5254 3.8896 3.8896 5.6064 5.6064 6.5639 6.5639 6.9367 6.9367 7.0885 7.0885 7.9187 7.9187 8.2731 8.2731 8.4940 8.4940 9.5327 9.5327 9.6500 9.6500 10.0296 10.0296 10.2634 10.2634 10.3425 10.3425 10.3505 10.3505 10.8344 10.8344 12.7307 12.7307 12.9264 12.9264 12.9502 12.9502 13.0102 13.0102 k = 0.0000 0.2222-0.0000 ( 2884 PWs) bands (ev): -5.3140 -5.3140 -3.6699 -3.6699 -1.8029 -1.8029 -1.5879 -1.5879 3.5758 3.5758 3.9453 3.9453 5.4657 5.4657 6.5714 6.5714 6.9678 6.9678 7.0676 7.0676 7.9175 7.9175 8.2181 8.2181 8.4016 8.4016 9.5539 9.5539 9.6951 9.6951 10.0171 10.0171 10.2579 10.2579 10.3143 10.3143 10.3446 10.3446 10.7882 10.7882 12.6877 12.6877 12.9216 12.9216 13.0004 13.0004 13.0354 13.0354 k = 0.0000 0.2116-0.0000 ( 2884 PWs) bands (ev): -5.3590 -5.3590 -3.6441 -3.6441 -1.7598 -1.7598 -1.5740 -1.5740 3.6311 3.6311 4.0011 4.0011 5.3269 5.3269 6.5804 6.5804 6.9996 6.9996 7.0470 7.0470 7.9142 7.9142 8.1633 8.1633 8.3006 8.3006 9.5722 9.5722 9.7392 9.7392 10.0010 10.0010 10.2475 10.2475 10.2904 10.2904 10.3435 10.3435 10.7412 10.7412 12.6476 12.6476 12.8934 12.8934 13.0651 13.0651 13.0768 13.0768 k = 0.0000 0.2011-0.0000 ( 2880 PWs) bands (ev): -5.4020 -5.4020 -3.6223 -3.6223 -1.7118 -1.7118 -1.5610 -1.5610 3.6911 3.6911 4.0562 4.0562 5.1909 5.1909 6.5907 6.5907 7.0262 7.0262 7.0326 7.0326 7.9086 7.9086 8.1090 8.1090 8.1928 8.1928 9.5874 9.5874 9.7808 9.7808 9.9817 9.9817 10.2265 10.2265 10.2796 10.2796 10.3439 10.3439 10.6946 10.6946 12.6103 12.6103 12.8629 12.8629 13.1007 13.1007 13.1555 13.1555 k = 0.0000 0.1905-0.0000 ( 2884 PWs) bands (ev): -5.4430 -5.4430 -3.6042 -3.6042 -1.6592 -1.6592 -1.5490 -1.5490 3.7558 3.7558 4.1093 4.1093 5.0593 5.0593 6.6024 6.6024 7.0068 7.0068 7.0651 7.0651 7.9006 7.9006 8.0551 8.0551 8.0797 8.0797 9.5992 9.5992 9.8189 9.8189 9.9600 9.9600 10.1996 10.1996 10.2768 10.2768 10.3460 10.3460 10.6490 10.6490 12.5760 12.5760 12.8308 12.8308 13.1401 13.1401 13.2373 13.2373 k = 0.0000 0.1799-0.0000 ( 2876 PWs) bands (ev): -5.4820 -5.4820 -3.5895 -3.5895 -1.6026 -1.6026 -1.5380 -1.5380 3.8250 3.8250 4.1584 4.1584 4.9343 4.9343 6.6155 6.6155 6.9876 6.9876 7.0984 7.0984 7.8890 7.8890 7.9626 7.9626 8.0023 8.0023 9.6074 9.6074 9.8524 9.8524 9.9376 9.9376 10.1718 10.1718 10.2762 10.2762 10.3501 10.3501 10.6054 10.6054 12.5446 12.5446 12.7974 12.7974 13.1832 13.1832 13.3212 13.3212 k = 0.0000 0.1693-0.0000 ( 2876 PWs) bands (ev): -5.5190 -5.5190 -3.5779 -3.5779 -1.5433 -1.5433 -1.5273 -1.5273 3.8985 3.8985 4.1993 4.1993 4.8201 4.8201 6.6298 6.6298 6.9688 6.9688 7.1318 7.1318 7.8347 7.8347 7.8823 7.8823 7.9502 7.9502 9.6118 9.6118 9.8766 9.8766 9.9193 9.9193 10.1447 10.1447 10.2761 10.2761 10.3564 10.3564 10.5643 10.5643 12.5159 12.5159 12.7630 12.7630 13.2295 13.2295 13.4063 13.4063 k = 0.0000 0.1587-0.0000 ( 2872 PWs) bands (ev): -5.5538 -5.5538 -3.5690 -3.5690 -1.5195 -1.5195 -1.4792 -1.4792 3.9764 3.9764 4.2247 4.2247 4.7244 4.7244 6.6454 6.6454 6.9506 6.9506 7.1653 7.1653 7.7127 7.7127 7.8634 7.8634 7.9001 7.9001 9.6124 9.6124 9.8721 9.8721 9.9252 9.9252 10.1188 10.1188 10.2757 10.2757 10.3646 10.3646 10.5265 10.5265 12.4897 12.4897 12.7282 12.7282 13.2784 13.2784 13.4921 13.4921 k = 0.0000 0.1481-0.0000 ( 2880 PWs) bands (ev): -5.5865 -5.5865 -3.5624 -3.5624 -1.5111 -1.5111 -1.4146 -1.4146 4.0583 4.0583 4.2223 4.2223 4.6595 4.6595 6.6621 6.6621 6.9327 6.9327 7.1985 7.1985 7.5863 7.5863 7.8364 7.8364 7.8590 7.8590 9.6090 9.6090 9.8493 9.8493 9.9453 9.9453 10.0943 10.0943 10.2749 10.2749 10.3743 10.3743 10.4927 10.4927 12.4658 12.4658 12.6934 12.6934 13.3292 13.3292 13.5779 13.5779 k = 0.0000 0.1376-0.0000 ( 2880 PWs) bands (ev): -5.6171 -5.6171 -3.5578 -3.5578 -1.5038 -1.5038 -1.3486 -1.3486 4.1440 4.1440 4.1827 4.1827 4.6352 4.6352 6.6800 6.6800 6.9149 6.9149 7.2313 7.2313 7.4584 7.4584 7.7923 7.7923 7.8346 7.8346 9.6019 9.6019 9.8238 9.8238 9.9650 9.9650 10.0715 10.0715 10.2736 10.2736 10.3849 10.3849 10.4636 10.4636 12.4438 12.4438 12.6592 12.6592 13.3812 13.3812 13.6631 13.6631 k = 0.0000 0.1270-0.0000 ( 2876 PWs) bands (ev): -5.6455 -5.6455 -3.5549 -3.5549 -1.4972 -1.4972 -1.2821 -1.2821 4.1115 4.1115 4.2339 4.2339 4.6452 4.6452 6.6989 6.6989 6.8966 6.8966 7.2635 7.2635 7.3306 7.3306 7.7448 7.7448 7.8132 7.8132 9.5913 9.5913 9.7980 9.7980 9.9825 9.9825 10.0503 10.0503 10.2721 10.2721 10.3944 10.3944 10.4407 10.4407 12.4235 12.4235 12.6261 12.6261 13.4335 13.4335 13.7469 13.7469 k = 0.0000 0.1164-0.0000 ( 2874 PWs) bands (ev): -5.6716 -5.6716 -3.5532 -3.5532 -1.4914 -1.4914 -1.2160 -1.2160 4.0247 4.0247 4.3269 4.3269 4.6748 4.6748 6.7186 6.7186 6.8765 6.8765 7.2044 7.2044 7.2951 7.2951 7.6978 7.6978 7.7913 7.7913 9.5776 9.5776 9.7729 9.7729 9.9970 9.9970 10.0310 10.0310 10.2704 10.2704 10.3963 10.3963 10.4303 10.4303 12.4044 12.4044 12.5947 12.5947 13.4854 13.4854 13.8285 13.8285 k = 0.0000 0.1058-0.0000 ( 2878 PWs) bands (ev): -5.6956 -5.6956 -3.5526 -3.5526 -1.4864 -1.4864 -1.1511 -1.1511 3.9326 3.9326 4.4231 4.4231 4.7134 4.7134 6.7389 6.7389 6.8503 6.8503 7.0852 7.0852 7.3253 7.3253 7.6521 7.6521 7.7688 7.7688 9.5613 9.5613 9.7489 9.7489 10.0066 10.0066 10.0159 10.0159 10.2684 10.2684 10.3863 10.3863 10.4360 10.4360 12.3861 12.3861 12.5656 12.5656 13.5362 13.5362 13.9064 13.9064 k = 0.0000 0.0952-0.0000 ( 2874 PWs) bands (ev): -5.7173 -5.7173 -3.5528 -3.5528 -1.4819 -1.4819 -1.0884 -1.0884 3.8412 3.8412 4.5221 4.5221 4.7554 4.7554 6.7591 6.7591 6.8067 6.8067 6.9854 6.9854 7.3541 7.3541 7.6081 7.6081 7.7460 7.7460 9.5433 9.5433 9.7264 9.7264 9.9953 9.9953 10.0211 10.0211 10.2665 10.2665 10.3742 10.3742 10.4476 10.4476 12.3685 12.3685 12.5395 12.5395 13.5850 13.5850 13.9747 13.9747 k = 0.0000 0.0847-0.0000 ( 2876 PWs) bands (ev): -5.7368 -5.7368 -3.5535 -3.5535 -1.4781 -1.4781 -1.0288 -1.0288 3.7539 3.7539 4.6234 4.6234 4.7976 4.7976 6.7230 6.7230 6.7836 6.7836 6.9235 6.9235 7.3811 7.3811 7.5660 7.5660 7.7234 7.7234 9.5241 9.5241 9.7056 9.7056 9.9811 9.9811 10.0292 10.0292 10.2645 10.2645 10.3637 10.3637 10.4602 10.4602 12.3512 12.3512 12.5167 12.5167 13.6311 13.6311 14.0113 14.0113 k = 0.0000 0.0741-0.0000 ( 2876 PWs) bands (ev): -5.7540 -5.7540 -3.5545 -3.5545 -1.4749 -1.4749 -0.9732 -0.9732 3.6728 3.6728 4.7263 4.7263 4.8383 4.8383 6.6149 6.6149 6.8041 6.8041 6.8926 6.8926 7.4060 7.4060 7.5263 7.5263 7.7015 7.7015 9.5048 9.5048 9.6869 9.6869 9.9684 9.9684 10.0360 10.0360 10.2628 10.2628 10.3553 10.3553 10.4728 10.4728 12.3344 12.3344 12.4973 12.4973 13.6738 13.6738 14.0317 14.0317 k = 0.0000 0.0635-0.0000 ( 2878 PWs) bands (ev): -5.7690 -5.7690 -3.5558 -3.5558 -1.4721 -1.4721 -0.9225 -0.9225 3.5995 3.5995 4.8282 4.8282 4.8781 4.8781 6.4961 6.4961 6.8248 6.8248 6.8751 6.8751 7.4282 7.4282 7.4897 7.4897 7.6809 7.6809 9.4861 9.4861 9.6703 9.6703 9.9573 9.9573 10.0414 10.0414 10.2612 10.2612 10.3489 10.3489 10.4845 10.4845 12.3184 12.3184 12.4813 12.4813 13.7123 13.7123 14.0479 14.0479 k = 0.0000 0.0529-0.0000 ( 2880 PWs) bands (ev): -5.7816 -5.7816 -3.5571 -3.5571 -1.4699 -1.4699 -0.8777 -0.8777 3.5352 3.5352 4.9006 4.9006 4.9431 4.9431 6.3761 6.3761 6.8444 6.8444 6.8638 6.8638 7.4449 7.4449 7.4592 7.4592 7.6622 7.6622 9.4688 9.4688 9.6561 9.6561 9.9479 9.9479 10.0456 10.0456 10.2598 10.2598 10.3440 10.3440 10.4952 10.4952 12.3035 12.3035 12.4687 12.4687 13.7461 13.7461 14.0613 14.0613 k = 0.0000 0.0423-0.0000 ( 2881 PWs) bands (ev): -5.7920 -5.7920 -3.5583 -3.5583 -1.4681 -1.4681 -0.8396 -0.8396 3.4811 3.4811 4.9324 4.9324 5.0419 5.0419 6.2596 6.2596 6.8532 6.8532 6.8651 6.8651 7.4248 7.4248 7.4665 7.4665 7.6459 7.6459 9.4535 9.4535 9.6444 9.6444 9.9401 9.9401 10.0489 10.0489 10.2587 10.2587 10.3405 10.3405 10.5044 10.5044 12.2903 12.2903 12.4589 12.4589 13.7745 13.7745 14.0721 14.0721 k = 0.0000 0.0317-0.0000 ( 2881 PWs) bands (ev): -5.8001 -5.8001 -3.5593 -3.5593 -1.4667 -1.4667 -0.8090 -0.8090 3.4380 3.4380 4.9557 4.9557 5.1381 5.1381 6.1511 6.1511 6.8481 6.8481 6.8801 6.8801 7.4006 7.4006 7.4794 7.4794 7.6327 7.6327 9.4410 9.4410 9.6352 9.6352 9.9341 9.9341 10.0513 10.0513 10.2578 10.2578 10.3380 10.3380 10.5118 10.5118 12.2795 12.2795 12.4517 12.4517 13.7972 13.7972 14.0805 14.0805 k = 0.0000 0.0212-0.0000 ( 2885 PWs) bands (ev): -5.8058 -5.8058 -3.5601 -3.5601 -1.4657 -1.4657 -0.7867 -0.7867 3.4066 3.4066 4.9725 4.9725 5.2231 5.2231 6.0574 6.0574 6.8442 6.8442 6.8924 6.8924 7.3820 7.3820 7.4890 7.4890 7.6229 7.6229 9.4317 9.4317 9.6285 9.6285 9.9297 9.9297 10.0528 10.0528 10.2572 10.2572 10.3364 10.3364 10.5173 10.5173 12.2714 12.2714 12.4468 12.4468 13.8136 13.8136 14.0864 14.0864 k = 0.0000 0.0106-0.0000 ( 2881 PWs) bands (ev): -5.8093 -5.8093 -3.5606 -3.5606 -1.4652 -1.4652 -0.7731 -0.7731 3.3875 3.3875 4.9827 4.9827 5.2853 5.2853 5.9900 5.9900 6.8418 6.8418 6.9004 6.9004 7.3704 7.3704 7.4949 7.4949 7.6168 7.6168 9.4259 9.4259 9.6246 9.6246 9.9272 9.9272 10.0538 10.0538 10.2569 10.2569 10.3355 10.3355 10.5206 10.5206 12.2663 12.2663 12.4440 12.4440 13.8237 13.8237 14.0900 14.0900 k = 0.0000 0.0000 0.0000 ( 2885 PWs) bands (ev): -5.8104 -5.8104 -3.5607 -3.5607 -1.4650 -1.4650 -0.7685 -0.7685 3.3812 3.3812 4.9861 4.9861 5.3089 5.3089 5.9646 5.9646 6.8411 6.8411 6.9031 6.9031 7.3664 7.3664 7.4969 7.4969 7.6148 7.6148 9.4240 9.4240 9.6232 9.6232 9.9262 9.9262 10.0542 10.0542 10.2567 10.2567 10.3352 10.3352 10.5217 10.5217 12.2646 12.2646 12.4430 12.4430 13.8270 13.8270 14.0912 14.0912 k = 0.0000 0.0000 0.0000 ( 2885 PWs) bands (ev): -5.8104 -5.8104 -3.5607 -3.5607 -1.4650 -1.4650 -0.7685 -0.7685 3.3812 3.3812 4.9861 4.9861 5.3089 5.3089 5.9646 5.9646 6.8411 6.8411 6.9031 6.9031 7.3664 7.3664 7.4969 7.4969 7.6148 7.6148 9.4240 9.4240 9.6232 9.6232 9.9262 9.9262 10.0542 10.0542 10.2567 10.2567 10.3352 10.3352 10.5217 10.5217 12.2646 12.2646 12.4430 12.4430 13.8270 13.8270 14.0912 14.0912 k = 0.0000 0.0000 0.0108 ( 2883 PWs) bands (ev): -5.8093 -5.8093 -3.5637 -3.5637 -1.4632 -1.4632 -0.7685 -0.7685 3.3815 3.3815 4.9882 4.9882 5.3058 5.3058 5.9662 5.9662 6.8322 6.8322 6.9035 6.9035 7.3660 7.3660 7.4976 7.4976 7.6257 7.6257 9.4165 9.4165 9.6249 9.6249 9.9334 9.9334 10.0540 10.0540 10.2559 10.2559 10.3354 10.3354 10.5206 10.5206 12.2639 12.2639 12.4421 12.4421 13.8266 13.8266 14.0899 14.0899 k = 0.0000 0.0000 0.0215 ( 2881 PWs) bands (ev): -5.8059 -5.8059 -3.5726 -3.5726 -1.4579 -1.4579 -0.7685 -0.7685 3.3825 3.3825 4.9946 4.9946 5.2968 5.2968 5.9711 5.9711 6.8075 6.8075 6.9044 6.9044 7.3646 7.3646 7.4999 7.4999 7.6568 7.6568 9.3954 9.3954 9.6297 9.6297 9.9533 9.9533 10.0535 10.0535 10.2531 10.2531 10.3364 10.3364 10.5170 10.5170 12.2618 12.2618 12.4392 12.4392 13.8254 13.8254 14.0860 14.0860 k = 0.0000 0.0000 0.0323 ( 2887 PWs) bands (ev): -5.8003 -5.8003 -3.5873 -3.5873 -1.4492 -1.4492 -0.7685 -0.7685 3.3841 3.3841 5.0052 5.0052 5.2817 5.2817 5.9792 5.9792 6.7708 6.7708 6.9057 6.9057 7.3624 7.3624 7.5037 7.5037 7.7041 7.7041 9.3635 9.3635 9.6376 9.6376 9.9834 9.9834 10.0527 10.0527 10.2482 10.2482 10.3382 10.3382 10.5111 10.5111 12.2582 12.2582 12.4343 12.4343 13.8234 13.8234 14.0795 14.0795 k = 0.0000 0.0000 0.0431 ( 2894 PWs) bands (ev): -5.7925 -5.7925 -3.6075 -3.6075 -1.4373 -1.4373 -0.7685 -0.7685 3.3864 3.3864 5.0198 5.0198 5.2606 5.2606 5.9905 5.9905 6.7266 6.7266 6.9074 6.9074 7.3593 7.3593 7.5090 7.5090 7.7630 7.7630 9.3238 9.3238 9.6484 9.6484 10.0204 10.0204 10.0519 10.0519 10.2407 10.2407 10.3411 10.3411 10.5029 10.5029 12.2535 12.2535 12.4277 12.4277 13.8206 13.8206 14.0707 14.0707 k = 0.0000 0.0000 0.0538 ( 2892 PWs) bands (ev): -5.7824 -5.7824 -3.6330 -3.6330 -1.4224 -1.4224 -0.7685 -0.7685 3.3894 3.3894 5.0384 5.0384 5.2338 5.2338 6.0053 6.0053 6.6784 6.6784 6.9095 6.9095 7.3554 7.3554 7.5158 7.5158 7.8296 7.8296 9.2788 9.2788 9.6621 9.6621 10.0485 10.0485 10.0644 10.0644 10.2306 10.2306 10.3455 10.3455 10.4927 10.4927 12.2477 12.2477 12.4193 12.4193 13.8169 13.8169 14.0597 14.0597 k = 0.0000 0.0000 0.0646 ( 2896 PWs) bands (ev): -5.7700 -5.7700 -3.6634 -3.6634 -1.4049 -1.4049 -0.7685 -0.7685 3.3931 3.3931 5.0605 5.0605 5.2014 5.2014 6.0234 6.0234 6.6290 6.6290 6.9121 6.9121 7.3507 7.3507 7.5241 7.5241 7.9006 7.9006 9.2303 9.2303 9.6785 9.6785 10.0480 10.0480 10.1080 10.1080 10.2177 10.2177 10.3513 10.3513 10.4805 10.4805 12.2412 12.2412 12.4092 12.4092 13.8122 13.8122 14.0467 14.0467 k = 0.0000 0.0000 0.0753 ( 2904 PWs) bands (ev): -5.7555 -5.7555 -3.6984 -3.6984 -1.3850 -1.3850 -0.7687 -0.7687 3.3975 3.3975 5.0850 5.0850 5.1649 5.1649 6.0451 6.0451 6.5801 6.5801 6.9151 6.9151 7.3452 7.3452 7.5339 7.5339 7.9736 7.9736 9.1794 9.1794 9.6974 9.6974 10.0465 10.0465 10.1533 10.1533 10.2024 10.2024 10.3583 10.3583 10.4665 10.4665 12.2340 12.2340 12.3976 12.3976 13.8067 13.8067 14.0320 14.0320 k = 0.0000 0.0000 0.0861 ( 2904 PWs) bands (ev): -5.7387 -5.7387 -3.7375 -3.7375 -1.3632 -1.3632 -0.7689 -0.7689 3.4026 3.4026 5.0992 5.0992 5.1369 5.1369 6.0703 6.0703 6.5330 6.5330 6.9186 6.9186 7.3389 7.3389 7.5453 7.5453 8.0465 8.0465 9.1270 9.1270 9.7188 9.7188 10.0449 10.0449 10.1792 10.1792 10.2045 10.2045 10.3663 10.3663 10.4514 10.4514 12.2267 12.2267 12.3847 12.3847 13.8001 13.8001 14.0158 14.0158 k = 0.0000 0.0000 0.0969 ( 2904 PWs) bands (ev): -5.7198 -5.7198 -3.7804 -3.7804 -1.3397 -1.3397 -0.7692 -0.7692 3.4086 3.4086 5.0635 5.0635 5.1570 5.1570 6.0993 6.0993 6.4884 6.4884 6.9225 6.9225 7.3318 7.3318 7.5581 7.5581 8.1175 8.1175 9.0737 9.0737 9.7424 9.7424 10.0432 10.0432 10.1600 10.1600 10.2488 10.2488 10.3741 10.3741 10.4364 10.4364 12.2194 12.2194 12.3705 12.3705 13.7925 13.7925 13.9983 13.9983 k = 0.0000 0.0000 0.1076 ( 2900 PWs) bands (ev): -5.6987 -5.6987 -3.8266 -3.8266 -1.3149 -1.3149 -0.7697 -0.7697 3.4154 3.4154 5.0122 5.0122 5.1913 5.1913 6.1323 6.1323 6.4466 6.4466 6.9270 6.9270 7.3241 7.3241 7.5724 7.5724 8.1851 8.1851 9.0200 9.0200 9.7680 9.7680 10.0413 10.0413 10.1372 10.1372 10.2942 10.2942 10.3784 10.3784 10.4249 10.4249 12.2124 12.2124 12.3554 12.3554 13.7838 13.7838 13.9792 13.9792 k = 0.0000 0.0000 0.1184 ( 2900 PWs) bands (ev): -5.6755 -5.6755 -3.8757 -3.8757 -1.2890 -1.2890 -0.7705 -0.7705 3.4231 3.4231 4.9558 4.9558 5.2293 5.2293 6.1694 6.1694 6.4077 6.4077 6.9319 6.9319 7.3157 7.3157 7.5881 7.5881 8.2476 8.2476 8.9660 8.9660 9.7953 9.7953 10.0386 10.0386 10.1135 10.1135 10.3380 10.3380 10.3726 10.3726 10.4239 10.4239 12.2061 12.2061 12.3395 12.3395 13.7740 13.7740 13.9542 13.9542 k = 0.0000 0.0000 0.1292 ( 2902 PWs) bands (ev): -5.6501 -5.6501 -3.9274 -3.9274 -1.2625 -1.2625 -0.7714 -0.7714 3.4319 3.4319 4.8958 4.8958 5.2697 5.2697 6.2107 6.2107 6.3716 6.3716 6.9373 6.9373 7.3066 7.3066 7.6053 7.6053 8.3036 8.3036 8.9121 8.9121 9.8240 9.8240 10.0334 10.0334 10.0914 10.0914 10.3548 10.3548 10.3818 10.3818 10.4335 10.4335 12.2006 12.2006 12.3229 12.3229 13.7630 13.7630 13.9003 13.9003 k = 0.0000 0.0000 0.1399 ( 2904 PWs) bands (ev): -5.6226 -5.6226 -3.9813 -3.9813 -1.2355 -1.2355 -0.7727 -0.7727 3.4418 3.4418 4.8330 4.8330 5.3119 5.3119 6.2566 6.2566 6.3382 6.3382 6.9432 6.9432 7.2970 7.2970 7.6239 7.6239 8.3515 8.3515 8.8585 8.8585 9.8539 9.8539 10.0223 10.0223 10.0757 10.0757 10.3349 10.3349 10.4195 10.4195 10.4494 10.4494 12.1963 12.1963 12.3061 12.3061 13.7507 13.7507 13.8295 13.8295 k = 0.0000 0.0000 0.1507 ( 2902 PWs) bands (ev): -5.5931 -5.5931 -4.0371 -4.0371 -1.2083 -1.2083 -0.7743 -0.7743 3.4530 3.4530 4.7682 4.7682 5.3552 5.3552 6.3036 6.3036 6.3105 6.3105 6.9497 6.9497 7.2868 7.2868 7.6438 7.6438 8.3898 8.3898 8.8053 8.8053 9.8845 9.8845 10.0036 10.0036 10.0691 10.0691 10.3125 10.3125 10.4493 10.4493 10.4739 10.4739 12.1930 12.1930 12.2891 12.2891 13.7371 13.7371 13.7604 13.7604 k = 0.0000 0.0000 0.1614 ( 2898 PWs) bands (ev): -5.5615 -5.5615 -4.0944 -4.0944 -1.1811 -1.1811 -0.7763 -0.7763 3.4655 3.4655 4.7019 4.7019 5.3992 5.3992 6.2773 6.2773 6.3632 6.3632 6.9566 6.9566 7.2761 7.2761 7.6651 7.6651 8.4170 8.4170 8.7527 8.7527 9.9151 9.9151 9.9816 9.9816 10.0689 10.0689 10.2892 10.2892 10.4704 10.4704 10.5059 10.5059 12.1910 12.1910 12.2723 12.2723 13.6953 13.6953 13.7226 13.7226 k = 0.0000 0.0000 0.1722 ( 2886 PWs) bands (ev): -5.5279 -5.5279 -4.1530 -4.1530 -1.1542 -1.1542 -0.7787 -0.7787 3.4796 3.4796 4.6347 4.6347 5.4434 5.4434 6.2498 6.2498 6.4238 6.4238 6.9640 6.9640 7.2649 7.2649 7.6879 7.6879 8.4317 8.4317 8.7007 8.7007 9.9417 9.9417 9.9641 9.9641 10.0723 10.0723 10.2655 10.2655 10.4893 10.4893 10.5384 10.5384 12.1900 12.1900 12.2560 12.2560 13.6358 13.6358 13.7065 13.7065 k = 0.0000 0.0000 0.1830 ( 2886 PWs) bands (ev): -5.4923 -5.4923 -4.2126 -4.2126 -1.1277 -1.1277 -0.7817 -0.7817 3.4954 3.4954 4.5672 4.5672 5.4874 5.4874 6.2235 6.2235 6.4896 6.4896 6.9719 6.9719 7.2533 7.2533 7.7119 7.7119 8.4330 8.4330 8.6495 8.6495 9.9349 9.9349 9.9817 9.9817 10.0778 10.0778 10.2418 10.2418 10.5077 10.5077 10.5689 10.5689 12.1898 12.1898 12.2403 12.2403 13.5820 13.5820 13.6891 13.6891 k = 0.0000 0.0000 0.1937 ( 2888 PWs) bands (ev): -5.4548 -5.4548 -4.2729 -4.2729 -1.1017 -1.1017 -0.7852 -0.7852 3.5130 3.5130 4.4998 4.4998 5.5307 5.5307 6.1982 6.1982 6.5606 6.5606 6.9803 6.9803 7.2413 7.2413 7.7372 7.7372 8.4204 8.4204 8.5989 8.5989 9.9194 9.9194 10.0110 10.0110 10.0847 10.0847 10.2187 10.2187 10.5262 10.5262 10.5966 10.5966 12.1900 12.1900 12.2258 12.2258 13.5344 13.5344 13.6706 13.6706 k = 0.0000 0.0000 0.2045 ( 2892 PWs) bands (ev): -5.4154 -5.4154 -4.3337 -4.3337 -1.0764 -1.0764 -0.7894 -0.7894 3.5325 3.5325 4.4330 4.4330 5.5731 5.5731 6.1735 6.1735 6.6366 6.6366 6.9892 6.9892 7.2290 7.2290 7.7639 7.7639 8.3937 8.3937 8.5491 8.5491 9.9071 9.9071 10.0399 10.0399 10.0920 10.0920 10.1972 10.1972 10.5446 10.5446 10.6213 10.6213 12.1902 12.1902 12.2127 12.2127 13.4933 13.4933 13.6508 13.6508 k = 0.0000 0.0000 0.2153 ( 2898 PWs) bands (ev): -5.3742 -5.3742 -4.3948 -4.3948 -1.0519 -1.0519 -0.7943 -0.7943 3.5540 3.5540 4.3671 4.3671 5.6142 5.6142 6.1494 6.1494 6.7176 6.7176 6.9985 6.9985 7.2165 7.2165 7.7919 7.7919 8.3538 8.3538 8.4999 8.4999 9.8991 9.8991 10.0674 10.0674 10.0975 10.0975 10.1792 10.1792 10.5630 10.5630 10.6428 10.6428 12.1891 12.1891 12.2023 12.2023 13.4588 13.4588 13.6299 13.6299 k = 0.0000 0.0000 0.2260 ( 2902 PWs) bands (ev): -5.3311 -5.3311 -4.4560 -4.4560 -1.0283 -1.0283 -0.7999 -0.7999 3.5778 3.5778 4.3025 4.3025 5.6541 5.6541 6.1255 6.1255 6.8031 6.8031 7.0083 7.0083 7.2037 7.2037 7.8211 7.8211 8.3014 8.3014 8.4515 8.4515 9.8951 9.8951 10.0926 10.0926 10.0977 10.0977 10.1686 10.1686 10.5812 10.5812 10.6609 10.6609 12.1842 12.1842 12.1967 12.1967 13.4311 13.4311 13.6080 13.6080 k = 0.0000 0.0000 0.2368 ( 2904 PWs) bands (ev): -5.2863 -5.2863 -4.5171 -4.5171 -1.0056 -1.0056 -0.8063 -0.8063 3.6039 3.6039 4.2394 4.2394 5.6925 5.6925 6.1017 6.1017 6.8928 6.8928 7.0186 7.0186 7.1908 7.1908 7.8515 7.8515 8.2378 8.2378 8.4038 8.4038 9.8948 9.8948 10.0878 10.0878 10.1169 10.1169 10.1680 10.1680 10.5989 10.5989 10.6758 10.6758 12.1771 12.1771 12.1945 12.1945 13.4103 13.4103 13.5852 13.5852 k = 0.0000 0.0000 0.2476 ( 2904 PWs) bands (ev): -5.2398 -5.2398 -4.5779 -4.5779 -0.9840 -0.9840 -0.8136 -0.8136 3.6324 3.6324 4.1781 4.1781 5.7295 5.7295 6.0777 6.0777 6.9859 6.9859 7.0298 7.0298 7.1778 7.1778 7.8832 7.8832 8.1645 8.1645 8.3571 8.3571 9.8978 9.8978 10.0720 10.0720 10.1379 10.1379 10.1745 10.1745 10.6159 10.6159 10.6873 10.6873 12.1708 12.1708 12.1926 12.1926 13.3962 13.3962 13.5619 13.5619 k = 0.0000 0.0000 0.2583 ( 2910 PWs) bands (ev): -5.1917 -5.1917 -4.6383 -4.6383 -0.9635 -0.9635 -0.8218 -0.8218 3.6634 3.6634 4.1188 4.1188 5.7649 5.7649 6.0534 6.0534 7.0390 7.0390 7.0846 7.0846 7.1646 7.1646 7.9160 7.9160 8.0830 8.0830 8.3114 8.3114 9.9036 9.9036 10.0535 10.0535 10.1564 10.1564 10.1837 10.1837 10.6321 10.6321 10.6955 10.6955 12.1661 12.1661 12.1899 12.1899 13.3885 13.3885 13.5381 13.5381 k = 0.0000 0.0000 0.2691 ( 2910 PWs) bands (ev): -5.1421 -5.1421 -4.6981 -4.6981 -0.9442 -0.9442 -0.8310 -0.8310 3.6970 3.6970 4.0618 4.0618 5.7990 5.7990 6.0286 6.0286 7.0509 7.0509 7.1514 7.1514 7.1840 7.1840 7.9488 7.9488 7.9959 7.9959 8.2668 8.2668 9.9118 9.9118 10.0342 10.0342 10.1723 10.1723 10.1928 10.1928 10.6472 10.6472 10.7005 10.7005 12.1633 12.1633 12.1864 12.1864 13.3869 13.3869 13.5144 13.5144 k = 0.0000 0.0000 0.2798 ( 2908 PWs) bands (ev): -5.0909 -5.0909 -4.7573 -4.7573 -0.9260 -0.9260 -0.8412 -0.8412 3.7333 3.7333 4.0071 4.0071 5.8317 5.8317 6.0032 6.0032 7.0628 7.0628 7.1384 7.1384 7.2857 7.2857 7.8989 7.8989 7.9872 7.9872 8.2234 8.2234 9.9220 9.9220 10.0151 10.0151 10.1854 10.1854 10.2004 10.2004 10.6609 10.6609 10.7025 10.7025 12.1624 12.1624 12.1822 12.1822 13.3907 13.3907 13.4911 13.4911 k = 0.0000 0.0000 0.2906 ( 2912 PWs) bands (ev): -5.0383 -5.0383 -4.8156 -4.8156 -0.9089 -0.9089 -0.8525 -0.8525 3.7722 3.7722 3.9548 3.9548 5.8630 5.8630 5.9770 5.9770 7.0748 7.0748 7.1253 7.1253 7.3890 7.3890 7.8012 7.8012 8.0232 8.0232 8.1810 8.1810 9.9341 9.9341 9.9966 9.9966 10.1956 10.1956 10.2056 10.2056 10.6731 10.6731 10.7016 10.7016 12.1631 12.1631 12.1777 12.1777 13.3994 13.3994 13.4686 13.4686 k = 0.0000 0.0000 0.3014 ( 2916 PWs) bands (ev): -4.9844 -4.9844 -4.8730 -4.8730 -0.8931 -0.8931 -0.8649 -0.8649 3.8138 3.8138 3.9052 3.9052 5.8931 5.8931 5.9500 5.9500 7.0871 7.0871 7.1125 7.1125 7.4931 7.4931 7.7002 7.7002 8.0608 8.0608 8.1398 8.1398 9.9477 9.9477 9.9791 9.9791 10.2028 10.2028 10.2079 10.2079 10.6835 10.6835 10.6980 10.6980 12.1654 12.1654 12.1731 12.1731 13.4122 13.4122 13.4475 13.4475 k = 0.0000 0.0000 0.3121 ( 2910 PWs) bands (ev): -4.9294 -4.9294 -4.9292 -4.9292 -0.8785 -0.8785 -0.8784 -0.8784 3.8580 3.8580 3.8583 3.8583 5.9220 5.9220 5.9222 5.9222 7.0996 7.0996 7.0999 7.0999 7.5971 7.5971 7.5972 7.5972 8.0995 8.0995 8.0999 8.0999 9.9624 9.9624 9.9631 9.9631 10.2066 10.2066 10.2074 10.2074 10.6914 10.6914 10.6924 10.6924 12.1685 12.1685 12.1691 12.1691 13.4282 13.4282 13.4288 13.4288 k = 0.0000 0.0000 0.3121 ( 2910 PWs) bands (ev): -4.9294 -4.9294 -4.9292 -4.9292 -0.8785 -0.8785 -0.8784 -0.8784 3.8580 3.8580 3.8583 3.8583 5.9220 5.9220 5.9222 5.9222 7.0996 7.0996 7.0999 7.0999 7.5971 7.5971 7.5972 7.5972 8.0995 8.0995 8.0999 8.0999 9.9624 9.9624 9.9631 9.9631 10.2066 10.2066 10.2074 10.2074 10.6914 10.6914 10.6924 10.6924 12.1685 12.1685 12.1691 12.1691 13.4282 13.4282 13.4288 13.4288 k = 0.0106-0.0000 0.3121 ( 2916 PWs) bands (ev): -4.9286 -4.9286 -4.9284 -4.9284 -0.8786 -0.8786 -0.8784 -0.8784 3.8589 3.8589 3.8591 3.8591 5.9217 5.9217 5.9225 5.9225 7.0967 7.0967 7.0974 7.0974 7.5920 7.5920 7.5947 7.5947 8.0973 8.0973 8.1030 8.1030 9.9636 9.9636 9.9661 9.9661 10.2064 10.2064 10.2072 10.2072 10.6922 10.6922 10.6937 10.6937 12.1693 12.1693 12.1715 12.1715 13.4266 13.4266 13.4282 13.4282 k = 0.0213-0.0000 0.3121 ( 2916 PWs) bands (ev): -4.9262 -4.9262 -4.9260 -4.9260 -0.8789 -0.8789 -0.8786 -0.8786 3.8615 3.8615 3.8617 3.8617 5.9213 5.9213 5.9228 5.9228 7.0885 7.0885 7.0897 7.0897 7.5795 7.5795 7.5845 7.5845 8.0962 8.0962 8.1072 8.1072 9.9685 9.9685 9.9730 9.9730 10.2060 10.2060 10.2069 10.2069 10.6951 10.6951 10.6976 10.6976 12.1731 12.1731 12.1772 12.1772 13.4225 13.4225 13.4256 13.4256 k = 0.0319-0.0000 0.3121 ( 2908 PWs) bands (ev): -4.9221 -4.9221 -4.9220 -4.9220 -0.8794 -0.8794 -0.8789 -0.8789 3.8657 3.8657 3.8660 3.8660 5.9208 5.9208 5.9231 5.9231 7.0751 7.0751 7.0767 7.0767 7.5600 7.5600 7.5669 7.5669 8.0968 8.0968 8.1124 8.1124 9.9766 9.9766 9.9825 9.9825 10.2055 10.2055 10.2071 10.2071 10.7004 10.7004 10.7037 10.7037 12.1801 12.1801 12.1862 12.1862 13.4159 13.4159 13.4206 13.4206 k = 0.0426-0.0000 0.3121 ( 2904 PWs) bands (ev): -4.9165 -4.9165 -4.9164 -4.9164 -0.8800 -0.8800 -0.8794 -0.8794 3.8716 3.8716 3.8719 3.8719 5.9201 5.9201 5.9230 5.9230 7.0565 7.0565 7.0584 7.0584 7.5343 7.5343 7.5424 7.5424 8.0996 8.0996 8.1189 8.1189 9.9865 9.9865 9.9928 9.9928 10.2051 10.2051 10.2086 10.2086 10.7082 10.7082 10.7120 10.7120 12.1902 12.1902 12.1983 12.1983 13.4064 13.4064 13.4128 13.4128 k = 0.0532-0.0000 0.3121 ( 2904 PWs) bands (ev): -4.9094 -4.9094 -4.9092 -4.9092 -0.8809 -0.8809 -0.8801 -0.8801 3.8792 3.8792 3.8795 3.8795 5.9187 5.9187 5.9225 5.9225 7.0328 7.0328 7.0349 7.0349 7.5032 7.5032 7.5120 7.5120 8.1049 8.1049 8.1270 8.1270 9.9964 9.9964 10.0019 10.0019 10.2054 10.2054 10.2122 10.2122 10.7184 10.7184 10.7225 10.7225 12.2036 12.2036 12.2135 12.2135 13.3934 13.3934 13.4015 13.4015 k = 0.0638-0.0000 0.3121 ( 2908 PWs) bands (ev): -4.9007 -4.9007 -4.9005 -4.9005 -0.8819 -0.8819 -0.8810 -0.8810 3.8885 3.8885 3.8887 3.8887 5.9166 5.9166 5.9211 5.9211 7.0041 7.0041 7.0062 7.0062 7.4681 7.4681 7.4771 7.4771 8.1128 8.1128 8.1368 8.1368 10.0046 10.0046 10.0080 10.0080 10.2069 10.2069 10.2182 10.2182 10.7312 10.7312 10.7352 10.7352 12.2203 12.2203 12.2319 12.2319 13.3762 13.3762 13.3860 13.3860 k = 0.0745-0.0000 0.3121 ( 2908 PWs) bands (ev): -4.8904 -4.8904 -4.8902 -4.8902 -0.8831 -0.8831 -0.8820 -0.8820 3.8993 3.8993 3.8996 3.8996 5.9132 5.9132 5.9186 5.9186 6.9707 6.9707 6.9725 6.9725 7.4305 7.4305 7.4393 7.4393 8.1231 8.1231 8.1482 8.1482 10.0093 10.0093 10.0100 10.0100 10.2100 10.2100 10.2268 10.2268 10.7465 10.7465 10.7502 10.7502 12.2401 12.2401 12.2533 12.2533 13.3539 13.3539 13.3653 13.3653 k = 0.0851-0.0000 0.3121 ( 2906 PWs) bands (ev): -4.8786 -4.8786 -4.8784 -4.8784 -0.8846 -0.8846 -0.8834 -0.8834 3.9117 3.9117 3.9119 3.9119 5.9080 5.9080 5.9142 5.9142 6.9331 6.9331 6.9342 6.9342 7.3918 7.3918 7.4004 7.4004 8.1354 8.1354 8.1611 8.1611 10.0069 10.0069 10.0103 10.0103 10.2145 10.2145 10.2372 10.2372 10.7642 10.7642 10.7674 10.7674 12.2632 12.2632 12.2778 12.2778 13.3255 13.3255 13.3380 13.3380 k = 0.0957-0.0000 0.3121 ( 2898 PWs) bands (ev): -4.8653 -4.8653 -4.8651 -4.8651 -0.8863 -0.8863 -0.8849 -0.8849 3.9256 3.9256 3.9258 3.9258 5.9003 5.9003 5.9074 5.9074 6.8918 6.8918 6.8920 6.8920 7.3533 7.3533 7.3618 7.3618 8.1493 8.1493 8.1753 8.1753 9.9998 9.9998 10.0066 10.0066 10.2196 10.2196 10.2479 10.2479 10.7839 10.7839 10.7865 10.7865 12.2894 12.2894 12.3053 12.3053 13.2903 13.2903 13.3034 13.3034 k = 0.1064-0.0000 0.3121 ( 2892 PWs) bands (ev): -4.8506 -4.8506 -4.8503 -4.8503 -0.8882 -0.8882 -0.8867 -0.8867 3.9409 3.9409 3.9412 3.9412 5.8894 5.8894 5.8973 5.8973 6.8472 6.8472 6.8481 6.8481 7.3162 7.3162 7.3246 7.3246 8.1645 8.1645 8.1903 8.1903 9.9891 9.9891 9.9989 9.9989 10.2246 10.2246 10.2577 10.2577 10.8054 10.8054 10.8072 10.8072 12.3186 12.3186 12.3356 12.3356 13.2479 13.2479 13.2610 13.2610 k = 0.1170-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.8344 -4.8344 -4.8341 -4.8341 -0.8905 -0.8905 -0.8888 -0.8888 3.9576 3.9576 3.9579 3.9579 5.8743 5.8743 5.8831 5.8831 6.8011 6.8011 6.8033 6.8033 7.2812 7.2812 7.2896 7.2896 8.1803 8.1803 8.2059 8.2059 9.9754 9.9754 9.9877 9.9877 10.2283 10.2283 10.2657 10.2657 10.8279 10.8279 10.8291 10.8291 12.3506 12.3506 12.3685 12.3685 13.1987 13.1987 13.2111 13.2111 k = 0.1277-0.0000 0.3121 ( 2892 PWs) bands (ev): -4.8168 -4.8168 -4.8166 -4.8166 -0.8930 -0.8930 -0.8912 -0.8912 3.9755 3.9755 3.9759 3.9759 5.8541 5.8541 5.8635 5.8635 6.7556 6.7556 6.7592 6.7592 7.2487 7.2487 7.2571 7.2571 8.1964 8.1964 8.2216 8.2216 9.9594 9.9594 9.9737 9.9737 10.2301 10.2301 10.2708 10.2708 10.8510 10.8510 10.8515 10.8515 12.3851 12.3851 12.4038 12.4038 13.1433 13.1433 13.1548 13.1548 k = 0.1383-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.7979 -4.7979 -4.7976 -4.7976 -0.8959 -0.8959 -0.8940 -0.8940 3.9946 3.9946 3.9952 3.9952 5.8278 5.8278 5.8378 5.8378 6.7127 6.7127 6.7176 6.7176 7.2189 7.2189 7.2275 7.2275 8.2124 8.2124 8.2371 8.2371 9.9415 9.9415 9.9574 9.9574 10.2296 10.2296 10.2730 10.2730 10.8738 10.8738 10.8740 10.8740 12.4221 12.4221 12.4413 12.4413 13.0831 13.0831 13.0934 13.0934 k = 0.1489-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.7777 -4.7777 -4.7774 -4.7774 -0.8991 -0.8991 -0.8971 -0.8971 4.0148 4.0148 4.0155 4.0155 5.7947 5.7947 5.8049 5.8049 6.6739 6.6739 6.6800 6.6800 7.1918 7.1918 7.2008 7.2008 8.2281 8.2281 8.2522 8.2522 9.9220 9.9220 9.9394 9.9394 10.2265 10.2265 10.2720 10.2720 10.8957 10.8957 10.8961 10.8961 12.4610 12.4610 12.4807 12.4807 13.0192 13.0192 13.0285 13.0285 k = 0.1596-0.0000 0.3121 ( 2894 PWs) bands (ev): -4.7562 -4.7562 -4.7559 -4.7559 -0.9027 -0.9027 -0.9006 -0.9006 4.0358 4.0358 4.0368 4.0368 5.7545 5.7545 5.7646 5.7646 6.6408 6.6408 6.6477 6.6477 7.1675 7.1675 7.1768 7.1768 8.2430 8.2430 8.2664 8.2664 9.9013 9.9013 9.9199 9.9199 10.2207 10.2207 10.2678 10.2678 10.9163 10.9163 10.9168 10.9168 12.5015 12.5015 12.5213 12.5213 12.9529 12.9529 12.9613 12.9613 k = 0.1702-0.0000 0.3121 ( 2886 PWs) bands (ev): -4.7336 -4.7336 -4.7333 -4.7333 -0.9066 -0.9066 -0.9044 -0.9044 4.0575 4.0575 4.0588 4.0588 5.7073 5.7073 5.7170 5.7170 6.6139 6.6139 6.6215 6.6215 7.1460 7.1460 7.1556 7.1556 8.2570 8.2570 8.2797 8.2797 9.8796 9.8796 9.8992 9.8992 10.2124 10.2124 10.2607 10.2607 10.9352 10.9352 10.9357 10.9357 12.5430 12.5430 12.5629 12.5629 12.8855 12.8855 12.8932 12.8932 k = 0.1809-0.0000 0.3121 ( 2884 PWs) bands (ev): -4.7098 -4.7098 -4.7095 -4.7095 -0.9110 -0.9110 -0.9088 -0.9088 4.0798 4.0798 4.0815 4.0815 5.6537 5.6537 5.6627 5.6627 6.5934 6.5934 6.6013 6.6013 7.1272 7.1272 7.1371 7.1371 8.2698 8.2698 8.2918 8.2918 9.8570 9.8570 9.8775 9.8775 10.2017 10.2017 10.2508 10.2508 10.9519 10.9519 10.9524 10.9524 12.5845 12.5845 12.6043 12.6043 12.8183 12.8183 12.8255 12.8255 k = 0.1915-0.0000 0.3121 ( 2880 PWs) bands (ev): -4.6850 -4.6850 -4.6846 -4.6846 -0.9159 -0.9159 -0.9135 -0.9135 4.1023 4.1023 4.1044 4.1044 5.5948 5.5948 5.6029 5.6029 6.5788 6.5788 6.5868 6.5868 7.1112 7.1112 7.1213 7.1213 8.2812 8.2812 8.3024 8.3024 9.8336 9.8336 9.8550 9.8550 10.1886 10.1886 10.2383 10.2383 10.9660 10.9660 10.9666 10.9666 12.6238 12.6238 12.6432 12.6432 12.7541 12.7541 12.7612 12.7612 k = 0.2021-0.0000 0.3121 ( 2892 PWs) bands (ev): -4.6592 -4.6592 -4.6588 -4.6588 -0.9212 -0.9212 -0.9188 -0.9188 4.1247 4.1247 4.1274 4.1274 5.5320 5.5320 5.5388 5.5388 6.5693 6.5693 6.5772 6.5772 7.0980 7.0980 7.1083 7.1083 8.2910 8.2910 8.3114 8.3114 9.8096 9.8096 9.8317 9.8317 10.1734 10.1734 10.2234 10.2234 10.9772 10.9772 10.9781 10.9781 12.6435 12.6435 12.6587 12.6587 12.7103 12.7103 12.7210 12.7210 k = 0.2128-0.0000 0.3121 ( 2892 PWs) bands (ev): -4.6325 -4.6325 -4.6320 -4.6320 -0.9269 -0.9269 -0.9245 -0.9245 4.1467 4.1467 4.1501 4.1501 5.4668 5.4668 5.4721 5.4721 6.5639 6.5639 6.5717 6.5717 7.0876 7.0876 7.0981 7.0981 8.2992 8.2992 8.3187 8.3187 9.7852 9.7852 9.8080 9.8080 10.1564 10.1564 10.2065 10.2065 10.9855 10.9855 10.9868 10.9868 12.6016 12.6016 12.6117 12.6117 12.7290 12.7290 12.7445 12.7445 k = 0.2234-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.6049 -4.6049 -4.6045 -4.6045 -0.9332 -0.9332 -0.9307 -0.9307 4.1678 4.1678 4.1720 4.1720 5.4007 5.4007 5.4043 5.4043 6.5618 6.5618 6.5693 6.5693 7.0802 7.0802 7.0909 7.0909 8.3056 8.3056 8.3242 8.3242 9.7603 9.7603 9.7838 9.7838 10.1375 10.1375 10.1876 10.1876 10.9907 10.9907 10.9927 10.9927 12.5418 12.5418 12.5516 12.5516 12.7667 12.7667 12.7821 12.7821 k = 0.2340-0.0000 0.3121 ( 2892 PWs) bands (ev): -4.5766 -4.5766 -4.5761 -4.5761 -0.9400 -0.9400 -0.9375 -0.9375 4.1874 4.1874 4.1925 4.1925 5.3352 5.3352 5.3371 5.3371 6.5619 6.5619 6.5692 6.5692 7.0758 7.0758 7.0866 7.0866 8.3101 8.3101 8.3277 8.3277 9.7351 9.7351 9.7592 9.7592 10.1170 10.1170 10.1669 10.1669 10.9928 10.9928 10.9955 10.9955 12.4816 12.4816 12.4919 12.4919 12.8057 12.8057 12.8201 12.8201 k = 0.2447-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.5477 -4.5477 -4.5472 -4.5472 -0.9472 -0.9472 -0.9447 -0.9447 4.2048 4.2048 4.2110 4.2110 5.2718 5.2718 5.2720 5.2720 6.5635 6.5635 6.5705 6.5705 7.0745 7.0745 7.0854 7.0854 8.3129 8.3129 8.3294 8.3294 9.7097 9.7097 9.7344 9.7344 10.0951 10.0951 10.1447 10.1447 10.9918 10.9918 10.9955 10.9955 12.4233 12.4233 12.4346 12.4346 12.8436 12.8436 12.8567 12.8567 k = 0.2553-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.5183 -4.5183 -4.5177 -4.5177 -0.9550 -0.9550 -0.9525 -0.9525 4.2191 4.2191 4.2265 4.2265 5.2104 5.2104 5.2124 5.2124 6.5658 6.5658 6.5726 6.5726 7.0762 7.0762 7.0872 7.0872 8.3137 8.3137 8.3291 8.3291 9.6840 9.6840 9.7093 9.7093 10.0720 10.0720 10.1212 10.1212 10.9878 10.9878 10.9926 10.9926 12.3677 12.3677 12.3802 12.3802 12.8797 12.8797 12.8910 12.8910 k = 0.2660-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.4884 -4.4884 -4.4878 -4.4878 -0.9632 -0.9632 -0.9607 -0.9607 4.2294 4.2294 4.2382 4.2382 5.1541 5.1541 5.1581 5.1581 6.5684 6.5684 6.5750 6.5750 7.0810 7.0810 7.0920 7.0920 8.3128 8.3128 8.3271 8.3271 9.6583 9.6583 9.6841 9.6841 10.0478 10.0478 10.0965 10.0965 10.9809 10.9809 10.9869 10.9869 12.3151 12.3151 12.3290 12.3290 12.9133 12.9133 12.9227 12.9227 k = 0.2766-0.0000 0.3121 ( 2894 PWs) bands (ev): -4.4583 -4.4583 -4.4576 -4.4576 -0.9720 -0.9720 -0.9695 -0.9695 4.2347 4.2347 4.2449 4.2449 5.1046 5.1046 5.1107 5.1107 6.5708 6.5708 6.5771 6.5771 7.0887 7.0887 7.0996 7.0996 8.3103 8.3103 8.3233 8.3233 9.6325 9.6325 9.6588 9.6588 10.0227 10.0227 10.0708 10.0708 10.9712 10.9712 10.9784 10.9784 12.2657 12.2657 12.2812 12.2812 12.9443 12.9443 12.9516 12.9516 k = 0.2872-0.0000 0.3121 ( 2894 PWs) bands (ev): -4.4279 -4.4279 -4.4272 -4.4272 -0.9812 -0.9812 -0.9787 -0.9787 4.2340 4.2340 4.2456 4.2456 5.0632 5.0632 5.0713 5.0713 6.5726 6.5726 6.5789 6.5789 7.0990 7.0990 7.1099 7.1099 8.3063 8.3063 8.3180 8.3180 9.6067 9.6067 9.6335 9.6335 9.9969 9.9969 10.0443 10.0443 10.9590 10.9590 10.9675 10.9675 12.2197 12.2197 12.2369 12.2369 12.9725 12.9725 12.9775 12.9775 k = 0.2979-0.0000 0.3121 ( 2894 PWs) bands (ev): -4.3976 -4.3976 -4.3968 -4.3968 -0.9908 -0.9908 -0.9883 -0.9883 4.2266 4.2266 4.2394 4.2394 5.0311 5.0311 5.0410 5.0410 6.5738 6.5738 6.5800 6.5800 7.1118 7.1118 7.1225 7.1225 8.3010 8.3010 8.3113 8.3113 9.5810 9.5810 9.6082 9.6082 9.9705 9.9705 10.0172 10.0172 10.9446 10.9446 10.9544 10.9544 12.1771 12.1771 12.1961 12.1961 12.9978 12.9978 13.0005 13.0005 k = 0.3085-0.0000 0.3121 ( 2898 PWs) bands (ev): -4.3673 -4.3673 -4.3665 -4.3665 -1.0007 -1.0007 -0.9984 -0.9984 4.2124 4.2124 4.2261 4.2261 5.0089 5.0089 5.0202 5.0202 6.5741 6.5741 6.5804 6.5804 7.1265 7.1265 7.1371 7.1371 8.2946 8.2946 8.3035 8.3035 9.5555 9.5555 9.5831 9.5831 9.9437 9.9437 9.9896 9.9896 10.9281 10.9281 10.9392 10.9392 12.1379 12.1379 12.1587 12.1587 13.0203 13.0203 13.0208 13.0208 k = 0.3191-0.0000 0.3121 ( 2908 PWs) bands (ev): -4.3372 -4.3372 -4.3364 -4.3364 -1.0110 -1.0110 -1.0087 -1.0087 4.1915 4.1915 4.2059 4.2059 4.9963 4.9963 5.0088 5.0088 6.5736 6.5736 6.5800 6.5800 7.1429 7.1429 7.1534 7.1534 8.2875 8.2875 8.2950 8.2950 9.5301 9.5301 9.5580 9.5580 9.9166 9.9166 9.9618 9.9618 10.9099 10.9099 10.9223 10.9223 12.1020 12.1020 12.1246 12.1246 13.0383 13.0383 13.0402 13.0402 k = 0.3298-0.0000 0.3121 ( 2912 PWs) bands (ev): -4.3076 -4.3076 -4.3067 -4.3067 -1.0216 -1.0216 -1.0193 -1.0193 4.1650 4.1650 4.1797 4.1797 4.9927 4.9927 5.0059 5.0059 6.5723 6.5723 6.5788 6.5788 7.1605 7.1605 7.1708 7.1708 8.2800 8.2800 8.2859 8.2859 9.5050 9.5050 9.5333 9.5333 9.8895 9.8895 9.9339 9.9339 10.8903 10.8903 10.9039 10.9039 12.0694 12.0694 12.0938 12.0938 13.0536 13.0536 13.0577 13.0577 k = 0.3404-0.0000 0.3121 ( 2908 PWs) bands (ev): -4.2785 -4.2785 -4.2776 -4.2776 -1.0323 -1.0323 -1.0301 -1.0301 4.1342 4.1342 4.1489 4.1489 4.9967 4.9967 5.0103 5.0103 6.5703 6.5703 6.5771 6.5771 7.1787 7.1787 7.1889 7.1889 8.2724 8.2724 8.2767 8.2767 9.4803 9.4803 9.5088 9.5088 9.8626 9.8626 9.9062 9.9062 10.8698 10.8698 10.8844 10.8844 12.0400 12.0400 12.0661 12.0661 13.0669 13.0669 13.0730 13.0730 k = 0.3511-0.0000 0.3121 ( 2904 PWs) bands (ev): -4.2502 -4.2502 -4.2492 -4.2492 -1.0431 -1.0431 -1.0410 -1.0410 4.1003 4.1003 4.1147 4.1147 5.0070 5.0070 5.0206 5.0206 6.5675 6.5675 6.5747 6.5747 7.1972 7.1972 7.2074 7.2074 8.2649 8.2649 8.2678 8.2678 9.4559 9.4559 9.4847 9.4847 9.8360 9.8360 9.8788 9.8788 10.8485 10.8485 10.8641 10.8641 12.0136 12.0136 12.0413 12.0413 13.0783 13.0783 13.0864 13.0864 k = 0.3617-0.0000 0.3121 ( 2896 PWs) bands (ev): -4.2228 -4.2228 -4.2217 -4.2217 -1.0539 -1.0539 -1.0518 -1.0518 4.0647 4.0647 4.0788 4.0788 5.0220 5.0220 5.0355 5.0355 6.5641 6.5641 6.5717 6.5717 7.2156 7.2156 7.2256 7.2256 8.2581 8.2581 8.2593 8.2593 9.4321 9.4321 9.4611 9.4611 9.8100 9.8100 9.8520 9.8520 10.8269 10.8269 10.8434 10.8434 11.9900 11.9900 12.0192 12.0192 13.0882 13.0882 13.0981 13.0981 k = 0.3723-0.0000 0.3121 ( 2904 PWs) bands (ev): -4.1964 -4.1964 -4.1952 -4.1952 -1.0646 -1.0646 -1.0626 -1.0626 4.0286 4.0286 4.0423 4.0423 5.0405 5.0405 5.0538 5.0538 6.5601 6.5601 6.5682 6.5682 7.2332 7.2332 7.2432 7.2432 8.2518 8.2518 8.2520 8.2520 9.4088 9.4088 9.4380 9.4380 9.7846 9.7846 9.8259 9.8259 10.8053 10.8053 10.8225 10.8225 11.9690 11.9690 11.9996 11.9996 13.0967 13.0967 13.1082 13.1082 k = 0.3830-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.1713 -4.1713 -4.1701 -4.1701 -1.0750 -1.0750 -1.0732 -1.0732 3.9930 3.9930 4.0062 4.0062 5.0612 5.0612 5.0742 5.0742 6.5557 6.5557 6.5644 6.5644 7.2500 7.2500 7.2600 7.2600 8.2453 8.2453 8.2471 8.2471 9.3863 9.3863 9.4157 9.4157 9.7603 9.7603 9.8008 9.8008 10.7841 10.7841 10.8019 10.8019 11.9505 11.9505 11.9824 11.9824 13.1042 13.1042 13.1172 13.1172 k = 0.3936-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.1476 -4.1476 -4.1463 -4.1463 -1.0852 -1.0852 -1.0834 -1.0834 3.9587 3.9587 3.9713 3.9713 5.0833 5.0833 5.0959 5.0959 6.5509 6.5509 6.5603 6.5603 7.2654 7.2654 7.2755 7.2755 8.2402 8.2402 8.2434 8.2434 9.3647 9.3647 9.3941 9.3941 9.7370 9.7370 9.7768 9.7768 10.7636 10.7636 10.7819 10.7819 11.9343 11.9343 11.9673 11.9673 13.1106 13.1106 13.1250 13.1250 k = 0.4043-0.0000 0.3121 ( 2888 PWs) bands (ev): -4.1255 -4.1255 -4.1242 -4.1242 -1.0949 -1.0949 -1.0932 -1.0932 3.9262 3.9262 3.9384 3.9384 5.1058 5.1058 5.1180 5.1180 6.5458 6.5458 6.5559 6.5559 7.2794 7.2794 7.2895 7.2895 8.2365 8.2365 8.2411 8.2411 9.3440 9.3440 9.3735 9.3735 9.7151 9.7151 9.7542 9.7542 10.7440 10.7440 10.7628 10.7628 11.9201 11.9201 11.9542 11.9542 13.1162 13.1162 13.1318 13.1318 k = 0.4149-0.0000 0.3121 ( 2886 PWs) bands (ev): -4.1052 -4.1052 -4.1038 -4.1038 -1.1039 -1.1039 -1.1024 -1.1024 3.8962 3.8962 3.9080 3.9080 5.1279 5.1279 5.1398 5.1398 6.5407 6.5407 6.5515 6.5515 7.2916 7.2916 7.3019 7.3019 8.2342 8.2342 8.2401 8.2401 9.3245 9.3245 9.3541 9.3541 9.6948 9.6948 9.7332 9.7332 10.7258 10.7258 10.7448 10.7448 11.9080 11.9080 11.9430 11.9430 13.1211 13.1211 13.1376 13.1376 k = 0.4255-0.0000 0.3121 ( 2884 PWs) bands (ev): -4.0868 -4.0868 -4.0854 -4.0854 -1.1123 -1.1123 -1.1108 -1.1108 3.8690 3.8690 3.8804 3.8804 5.1491 5.1491 5.1606 5.1606 6.5355 6.5355 6.5470 6.5470 7.3022 7.3022 7.3126 7.3126 8.2333 8.2333 8.2403 8.2403 9.3064 9.3064 9.3361 9.3361 9.6763 9.6763 9.7141 9.7141 10.7090 10.7090 10.7283 10.7283 11.8976 11.8976 11.9334 11.9334 13.1252 13.1252 13.1427 13.1427 k = 0.4362-0.0000 0.3121 ( 2884 PWs) bands (ev): -4.0706 -4.0706 -4.0691 -4.0691 -1.1199 -1.1199 -1.1184 -1.1184 3.8449 3.8449 3.8559 3.8559 5.1688 5.1688 5.1799 5.1799 6.5306 6.5306 6.5428 6.5428 7.3110 7.3110 7.3216 7.3216 8.2335 8.2335 8.2416 8.2416 9.2900 9.2900 9.3197 9.3197 9.6598 9.6598 9.6971 9.6971 10.6940 10.6940 10.7135 10.7135 11.8889 11.8889 11.9254 11.9254 13.1287 13.1287 13.1470 13.1470 k = 0.4468-0.0000 0.3121 ( 2892 PWs) bands (ev): -4.0565 -4.0565 -4.0550 -4.0550 -1.1265 -1.1265 -1.1251 -1.1251 3.8241 3.8241 3.8349 3.8349 5.1864 5.1864 5.1972 5.1972 6.5260 6.5260 6.5388 6.5388 7.3182 7.3182 7.3289 7.3289 8.2345 8.2345 8.2435 8.2435 9.2754 9.2754 9.3051 9.3051 9.6454 9.6454 9.6822 9.6822 10.6809 10.6809 10.7005 10.7005 11.8817 11.8817 11.9187 11.9187 13.1316 13.1316 13.1506 13.1506 k = 0.4574-0.0000 0.3121 ( 2894 PWs) bands (ev): -4.0449 -4.0449 -4.0433 -4.0433 -1.1320 -1.1320 -1.1307 -1.1307 3.8069 3.8069 3.8174 3.8174 5.2014 5.2014 5.2120 5.2120 6.5219 6.5219 6.5353 6.5353 7.3238 7.3238 7.3347 7.3347 8.2360 8.2360 8.2458 8.2458 9.2631 9.2631 9.2928 9.2928 9.6334 9.6334 9.6698 9.6698 10.6700 10.6700 10.6897 10.6897 11.8760 11.8760 11.9134 11.9134 13.1340 13.1340 13.1535 13.1535 k = 0.4681-0.0000 0.3121 ( 2904 PWs) bands (ev): -4.0357 -4.0357 -4.0341 -4.0341 -1.1364 -1.1364 -1.1352 -1.1352 3.7934 3.7934 3.8037 3.8037 5.2135 5.2135 5.2239 5.2239 6.5185 6.5185 6.5324 6.5324 7.3279 7.3279 7.3390 7.3390 8.2377 8.2377 8.2481 8.2481 9.2530 9.2530 9.2827 9.2827 9.6240 9.6240 9.6600 9.6600 10.6613 10.6613 10.6810 10.6810 11.8716 11.8716 11.9094 11.9094 13.1358 13.1358 13.1557 13.1557 k = 0.4787-0.0000 0.3121 ( 2908 PWs) bands (ev): -4.0291 -4.0291 -4.0275 -4.0275 -1.1397 -1.1397 -1.1384 -1.1384 3.7836 3.7836 3.7938 3.7938 5.2225 5.2225 5.2327 5.2327 6.5160 6.5160 6.5302 6.5302 7.3308 7.3308 7.3420 7.3420 8.2392 8.2392 8.2500 8.2500 9.2457 9.2457 9.2754 9.2754 9.6171 9.6171 9.6529 9.6529 10.6550 10.6550 10.6748 10.6748 11.8685 11.8685 11.9066 11.9066 13.1371 13.1371 13.1573 13.1573 k = 0.4894-0.0000 0.3121 ( 2912 PWs) bands (ev): -4.0250 -4.0250 -4.0234 -4.0234 -1.1416 -1.1416 -1.1404 -1.1404 3.7777 3.7777 3.7879 3.7879 5.2279 5.2279 5.2380 5.2380 6.5145 6.5145 6.5289 6.5289 7.3325 7.3325 7.3438 7.3438 8.2402 8.2402 8.2512 8.2512 9.2412 9.2412 9.2709 9.2709 9.6130 9.6130 9.6486 9.6486 10.6512 10.6512 10.6710 10.6710 11.8667 11.8667 11.9049 11.9049 13.1378 13.1378 13.1582 13.1582 k = 0.5000-0.0000 0.3121 ( 2916 PWs) bands (ev): -4.0237 -4.0237 -4.0221 -4.0221 -1.1423 -1.1423 -1.1410 -1.1410 3.7758 3.7758 3.7859 3.7859 5.2297 5.2297 5.2398 5.2398 6.5139 6.5139 6.5284 6.5284 7.3330 7.3330 7.3444 7.3444 8.2405 8.2405 8.2517 8.2517 9.2397 9.2397 9.2694 9.2694 9.6116 9.6116 9.6472 9.6472 10.6499 10.6499 10.6697 10.6697 11.8660 11.8660 11.9043 11.9043 13.1381 13.1381 13.1585 13.1585 k = 0.5000-0.0000 0.3121 ( 2916 PWs) bands (ev): -4.0237 -4.0237 -4.0221 -4.0221 -1.1423 -1.1423 -1.1410 -1.1410 3.7758 3.7758 3.7859 3.7859 5.2297 5.2297 5.2398 5.2398 6.5139 6.5139 6.5284 6.5284 7.3330 7.3330 7.3444 7.3444 8.2405 8.2405 8.2517 8.2517 9.2397 9.2397 9.2694 9.2694 9.6116 9.6116 9.6472 9.6472 10.6499 10.6499 10.6697 10.6697 11.8660 11.8660 11.9043 11.9043 13.1381 13.1381 13.1585 13.1585 k = 0.5000 0.0106 0.3121 ( 2916 PWs) bands (ev): -4.0232 -4.0232 -4.0216 -4.0216 -1.1429 -1.1429 -1.1416 -1.1416 3.7725 3.7725 3.7825 3.7825 5.2351 5.2351 5.2450 5.2450 6.5085 6.5085 6.5228 6.5228 7.3346 7.3346 7.3457 7.3457 8.2397 8.2397 8.2508 8.2508 9.2434 9.2434 9.2730 9.2730 9.6123 9.6123 9.6480 9.6480 10.6499 10.6499 10.6697 10.6697 11.8672 11.8672 11.9054 11.9054 13.1394 13.1394 13.1597 13.1597 k = 0.5000 0.0212 0.3121 ( 2916 PWs) bands (ev): -4.0215 -4.0215 -4.0199 -4.0199 -1.1446 -1.1446 -1.1434 -1.1434 3.7628 3.7628 3.7725 3.7725 5.2511 5.2511 5.2605 5.2605 6.4924 6.4924 6.5062 6.5062 7.3393 7.3393 7.3495 7.3495 8.2374 8.2374 8.2484 8.2484 9.2543 9.2543 9.2838 9.2838 9.6146 9.6146 9.6503 9.6503 10.6500 10.6500 10.6697 10.6697 11.8706 11.8706 11.9087 11.9087 13.1431 13.1431 13.1634 13.1634 k = 0.5000 0.0317 0.3121 ( 2912 PWs) bands (ev): -4.0189 -4.0189 -4.0173 -4.0173 -1.1476 -1.1476 -1.1464 -1.1464 3.7473 3.7473 3.7564 3.7564 5.2769 5.2769 5.2855 5.2855 6.4663 6.4663 6.4794 6.4794 7.3465 7.3465 7.3553 7.3553 8.2338 8.2338 8.2447 8.2447 9.2719 9.2719 9.3011 9.3011 9.6183 9.6183 9.6543 9.6543 10.6503 10.6503 10.6698 10.6698 11.8762 11.8762 11.9141 11.9141 13.1494 13.1494 13.1695 13.1695 k = 0.5000 0.0423 0.3121 ( 2912 PWs) bands (ev): -4.0151 -4.0151 -4.0135 -4.0135 -1.1517 -1.1517 -1.1506 -1.1506 3.7268 3.7268 3.7352 3.7352 5.3116 5.3116 5.3192 5.3192 6.4311 6.4311 6.4433 6.4433 7.3557 7.3557 7.3628 7.3628 8.2293 8.2293 8.2401 8.2401 9.2953 9.2953 9.3244 9.3244 9.6236 9.6236 9.6598 9.6598 10.6507 10.6507 10.6699 10.6699 11.8841 11.8841 11.9217 11.9217 13.1579 13.1579 13.1777 13.1777 k = 0.5000 0.0529 0.3121 ( 2904 PWs) bands (ev): -4.0103 -4.0103 -4.0087 -4.0087 -1.1570 -1.1570 -1.1559 -1.1559 3.7022 3.7022 3.7098 3.7098 5.3540 5.3540 5.3602 5.3602 6.3880 6.3880 6.3994 6.3994 7.3662 7.3662 7.3714 7.3714 8.2244 8.2244 8.2351 8.2351 9.3238 9.3238 9.3526 9.3526 9.6305 9.6305 9.6671 9.6671 10.6511 10.6511 10.6701 10.6701 11.8943 11.8943 11.9316 11.9316 13.1685 13.1685 13.1879 13.1879 k = 0.5000 0.0635 0.3121 ( 2900 PWs) bands (ev): -4.0045 -4.0045 -4.0029 -4.0029 -1.1635 -1.1635 -1.1625 -1.1625 3.6747 3.6747 3.6814 3.6814 5.4025 5.4025 5.4071 5.4071 6.3382 6.3382 6.3490 6.3490 7.3773 7.3773 7.3805 7.3805 8.2194 8.2194 8.2300 8.2300 9.3560 9.3560 9.3847 9.3847 9.6390 9.6390 9.6761 9.6761 10.6516 10.6516 10.6703 10.6703 11.9068 11.9068 11.9436 11.9436 13.1809 13.1809 13.1998 13.1998 k = 0.5000 0.0741 0.3121 ( 2888 PWs) bands (ev): -3.9976 -3.9976 -3.9961 -3.9961 -1.1711 -1.1711 -1.1702 -1.1702 3.6452 3.6452 3.6511 3.6511 5.4554 5.4554 5.4582 5.4582 6.2834 6.2834 6.2938 6.2938 7.3885 7.3885 7.3897 7.3897 8.2148 8.2148 8.2253 8.2253 9.3910 9.3910 9.4195 9.4195 9.6494 9.6494 9.6870 9.6870 10.6523 10.6523 10.6705 10.6705 11.9216 11.9216 11.9579 11.9579 13.1949 13.1949 13.2131 13.2131 k = 0.5000 0.0847 0.3121 ( 2892 PWs) bands (ev): -3.9898 -3.9898 -3.9883 -3.9883 -1.1799 -1.1799 -1.1791 -1.1791 3.6146 3.6146 3.6196 3.6196 5.5108 5.5108 5.5113 5.5113 6.2254 6.2254 6.2359 6.2359 7.3985 7.3985 7.3994 7.3994 8.2108 8.2108 8.2214 8.2214 9.4274 9.4274 9.4558 9.4558 9.6617 9.6617 9.6998 9.6998 10.6529 10.6529 10.6707 10.6707 11.9387 11.9387 11.9744 11.9744 13.2097 13.2097 13.2271 13.2271 k = 0.5000 0.0952 0.3121 ( 2892 PWs) bands (ev): -3.9811 -3.9811 -3.9796 -3.9796 -1.1899 -1.1899 -1.1891 -1.1891 3.5839 3.5839 3.5881 3.5881 5.5635 5.5635 5.5658 5.5658 6.1670 6.1670 6.1783 6.1783 7.4068 7.4068 7.4096 7.4096 8.2078 8.2078 8.2184 8.2184 9.4641 9.4641 9.4922 9.4922 9.6764 9.6764 9.7150 9.7150 10.6537 10.6537 10.6710 10.6710 11.9581 11.9581 11.9931 11.9931 13.2249 13.2249 13.2412 13.2412 k = 0.5000 0.1058 0.3121 ( 2892 PWs) bands (ev): -3.9715 -3.9715 -3.9699 -3.9699 -1.2009 -1.2009 -1.2002 -1.2002 3.5538 3.5538 3.5571 3.5571 5.6100 5.6100 5.6158 5.6158 6.1128 6.1128 6.1256 6.1256 7.4144 7.4144 7.4191 7.4191 8.2059 8.2059 8.2165 8.2165 9.4999 9.4999 9.5275 9.5275 9.6941 9.6941 9.7327 9.7327 10.6545 10.6545 10.6713 10.6713 11.9798 11.9798 12.0140 12.0140 13.2398 13.2398 13.2548 13.2548 k = 0.5000 0.1164 0.3121 ( 2888 PWs) bands (ev): -3.9610 -3.9610 -3.9595 -3.9595 -1.2130 -1.2130 -1.2124 -1.2124 3.5248 3.5248 3.5273 3.5273 5.6432 5.6432 5.6530 5.6530 6.0705 6.0705 6.0856 6.0856 7.4212 7.4212 7.4276 7.4276 8.2052 8.2052 8.2159 8.2159 9.5338 9.5338 9.5602 9.5602 9.7154 9.7154 9.7533 9.7533 10.6555 10.6555 10.6716 10.6716 12.0038 12.0038 12.0373 12.0373 13.2534 13.2534 13.2669 13.2669 k = 0.5000 0.1270 0.3121 ( 2896 PWs) bands (ev): -3.9498 -3.9498 -3.9482 -3.9482 -1.2262 -1.2262 -1.2257 -1.2257 3.4976 3.4976 3.4993 3.4993 5.6523 5.6523 5.6654 5.6654 6.0521 6.0521 6.0687 6.0687 7.4271 7.4271 7.4350 7.4350 8.2058 8.2058 8.2165 8.2165 9.5648 9.5648 9.5891 9.5891 9.7406 9.7406 9.7769 9.7769 10.6564 10.6564 10.6720 10.6720 12.0302 12.0302 12.0627 12.0627 13.2648 13.2648 13.2765 13.2765 k = 0.5000 0.1376 0.3121 ( 2900 PWs) bands (ev): -3.9378 -3.9378 -3.9363 -3.9363 -1.2404 -1.2404 -1.2399 -1.2399 3.4726 3.4726 3.4736 3.4736 5.6308 5.6308 5.6450 5.6450 6.0655 6.0655 6.0815 6.0815 7.4320 7.4320 7.4415 7.4415 8.2077 8.2077 8.2184 8.2184 9.5923 9.5923 9.6137 9.6137 9.7698 9.7698 9.8038 9.8038 10.6575 10.6575 10.6724 10.6724 12.0588 12.0588 12.0905 12.0905 13.2729 13.2729 13.2825 13.2825 k = 0.5000 0.1481 0.3121 ( 2916 PWs) bands (ev): -3.9251 -3.9251 -3.9236 -3.9236 -1.2555 -1.2555 -1.2551 -1.2551 3.4501 3.4501 3.4504 3.4504 5.5832 5.5832 5.5967 5.5967 6.1058 6.1058 6.1196 6.1196 7.4360 7.4360 7.4468 7.4468 8.2107 8.2107 8.2214 8.2214 9.6160 9.6160 9.6342 9.6342 9.8023 9.8023 9.8334 9.8334 10.6586 10.6586 10.6728 10.6728 12.0897 12.0897 12.1204 12.1204 13.2765 13.2765 13.2838 13.2838 k = 0.5000 0.1587 0.3121 ( 2912 PWs) bands (ev): -3.9118 -3.9118 -3.9103 -3.9103 -1.2714 -1.2714 -1.2711 -1.2711 3.4302 3.4302 3.4306 3.4306 5.5187 5.5187 5.5311 5.5311 6.1624 6.1624 6.1736 6.1736 7.4392 7.4392 7.4512 7.4512 8.2149 8.2149 8.2255 8.2255 9.6362 9.6362 9.6513 9.6513 9.8371 9.8371 9.8656 9.8656 10.6599 10.6599 10.6733 10.6733 12.1229 12.1229 12.1526 12.1526 13.2749 13.2749 13.2798 13.2798 k = 0.5000 0.1693 0.3121 ( 2916 PWs) bands (ev): -3.8980 -3.8980 -3.8966 -3.8966 -1.2881 -1.2881 -1.2879 -1.2879 3.4132 3.4132 3.4142 3.4142 5.4444 5.4444 5.4559 5.4559 6.2276 6.2276 6.2365 6.2365 7.4415 7.4415 7.4545 7.4545 8.2200 8.2200 8.2305 8.2305 9.6530 9.6530 9.6653 9.6653 9.8734 9.8734 9.8994 9.8994 10.6612 10.6612 10.6738 10.6738 12.1582 12.1582 12.1869 12.1869 13.2673 13.2673 13.2699 13.2699 k = 0.5000 0.1799 0.3121 ( 2928 PWs) bands (ev): -3.8838 -3.8838 -3.8824 -3.8824 -1.3056 -1.3056 -1.3054 -1.3054 3.3995 3.3995 3.4011 3.4011 5.3644 5.3644 5.3752 5.3752 6.2972 6.2972 6.3040 6.3040 7.4429 7.4429 7.4570 7.4570 8.2260 8.2260 8.2363 8.2363 9.6668 9.6668 9.6769 9.6769 9.9103 9.9103 9.9344 9.9344 10.6626 10.6626 10.6744 10.6744 12.1957 12.1957 12.2233 12.2233 13.2537 13.2537 13.2540 13.2540 k = 0.5000 0.1905 0.3121 ( 2928 PWs) bands (ev): -3.8692 -3.8692 -3.8678 -3.8678 -1.3235 -1.3235 -1.3234 -1.3234 3.3894 3.3894 3.3916 3.3916 5.2812 5.2812 5.2915 5.2915 6.3687 6.3687 6.3737 6.3737 7.4436 7.4436 7.4585 7.4585 8.2328 8.2328 8.2429 8.2429 9.6780 9.6780 9.6863 9.6863 9.9474 9.9474 9.9701 9.9701 10.6640 10.6640 10.6750 10.6750 12.2353 12.2353 12.2618 12.2618 13.2326 13.2326 13.2343 13.2343 k = 0.5000 0.2011 0.3121 ( 2920 PWs) bands (ev): -3.8543 -3.8543 -3.8530 -3.8530 -1.3420 -1.3420 -1.3418 -1.3418 3.3831 3.3831 3.3858 3.3858 5.1961 5.1961 5.2061 5.2061 6.4408 6.4408 6.4442 6.4442 7.4436 7.4436 7.4593 7.4593 8.2402 8.2402 8.2500 8.2500 9.6868 9.6868 9.6938 9.6938 9.9845 9.9845 10.0061 10.0061 10.6655 10.6655 10.6758 10.6758 12.2768 12.2768 12.3022 12.3022 13.2063 13.2063 13.2096 13.2096 k = 0.5000 0.2116 0.3121 ( 2916 PWs) bands (ev): -3.8393 -3.8393 -3.8380 -3.8380 -1.3607 -1.3607 -1.3605 -1.3605 3.3805 3.3805 3.3837 3.3837 5.1101 5.1101 5.1199 5.1199 6.5126 6.5126 6.5145 6.5145 7.4428 7.4428 7.4593 7.4593 8.2480 8.2480 8.2575 8.2575 9.6934 9.6934 9.6993 9.6993 10.0212 10.0212 10.0420 10.0420 10.6671 10.6671 10.6765 10.6765 12.3202 12.3202 12.3445 12.3445 13.1761 13.1761 13.1807 13.1807 k = 0.5000 0.2222 0.3121 ( 2924 PWs) bands (ev): -3.8243 -3.8243 -3.8230 -3.8230 -1.3797 -1.3797 -1.3794 -1.3794 3.3818 3.3818 3.3854 3.3854 5.0238 5.0238 5.0334 5.0334 6.5833 6.5833 6.5837 6.5837 7.4414 7.4414 7.4585 7.4585 8.2562 8.2562 8.2652 8.2652 9.6978 9.6978 9.7029 9.7029 10.0574 10.0574 10.0775 10.0775 10.6687 10.6687 10.6772 10.6772 12.3651 12.3651 12.3883 12.3883 13.1427 13.1427 13.1484 13.1484 k = 0.5000 0.2328 0.3121 ( 2920 PWs) bands (ev): -3.8093 -3.8093 -3.8081 -3.8081 -1.3986 -1.3986 -1.3983 -1.3983 3.3869 3.3869 3.3910 3.3910 4.9378 4.9378 4.9472 4.9472 6.6515 6.6515 6.6525 6.6525 7.4394 7.4394 7.4569 7.4569 8.2645 8.2645 8.2731 8.2731 9.7004 9.7004 9.7049 9.7049 10.0931 10.0931 10.1126 10.1126 10.6702 10.6702 10.6779 10.6779 12.4116 12.4116 12.4336 12.4336 13.1074 13.1074 13.1139 13.1139 k = 0.5000 0.2434 0.3121 ( 2912 PWs) bands (ev): -3.7946 -3.7946 -3.7934 -3.7934 -1.4173 -1.4173 -1.4170 -1.4170 3.3960 3.3960 3.4005 3.4005 4.8523 4.8523 4.8616 4.8616 6.7173 6.7173 6.7198 6.7198 7.4366 7.4366 7.4547 7.4547 8.2728 8.2728 8.2810 8.2810 9.7013 9.7013 9.7053 9.7053 10.1281 10.1281 10.1470 10.1470 10.6718 10.6718 10.6787 10.6787 12.4592 12.4592 12.4801 12.4801 13.0711 13.0711 13.0780 13.0780 k = 0.5000 0.2540 0.3121 ( 2916 PWs) bands (ev): -3.7802 -3.7802 -3.7791 -3.7791 -1.4357 -1.4357 -1.4353 -1.4353 3.4089 3.4089 3.4138 3.4138 4.7679 4.7679 4.7771 4.7771 6.7808 6.7808 6.7846 6.7846 7.4332 7.4332 7.4517 7.4517 8.2811 8.2811 8.2887 8.2887 9.7006 9.7006 9.7042 9.7042 10.1621 10.1621 10.1805 10.1805 10.6733 10.6733 10.6794 10.6794 12.5075 12.5075 12.5274 12.5274 13.0348 13.0348 13.0420 13.0420 k = 0.5000 0.2646 0.3121 ( 2912 PWs) bands (ev): -3.7662 -3.7662 -3.7652 -3.7652 -1.4535 -1.4535 -1.4531 -1.4531 3.4257 3.4257 3.4309 3.4309 4.6847 4.6847 4.6937 4.6937 6.8416 6.8416 6.8469 6.8469 7.4291 7.4291 7.4480 7.4480 8.2891 8.2891 8.2962 8.2962 9.6985 9.6985 9.7018 9.7018 10.1951 10.1951 10.2129 10.2129 10.6748 10.6748 10.6800 10.6800 12.5562 12.5562 12.5749 12.5749 12.9995 12.9995 13.0068 13.0068 k = 0.5000 0.2751 0.3121 ( 2908 PWs) bands (ev): -3.7529 -3.7529 -3.7519 -3.7519 -1.4706 -1.4706 -1.4702 -1.4702 3.4463 3.4463 3.4518 3.4518 4.6030 4.6030 4.6119 4.6119 6.8995 6.8995 6.9061 6.9061 7.4243 7.4243 7.4435 7.4435 8.2969 8.2969 8.3034 8.3034 9.6954 9.6954 9.6983 9.6983 10.2268 10.2268 10.2439 10.2439 10.6762 10.6762 10.6807 10.6807 12.6041 12.6041 12.6216 12.6216 12.9667 12.9667 12.9739 12.9739 k = 0.5000 0.2857 0.3121 ( 2900 PWs) bands (ev): -3.7402 -3.7402 -3.7393 -3.7393 -1.4868 -1.4868 -1.4864 -1.4864 3.4705 3.4705 3.4763 3.4763 4.5231 4.5231 4.5319 4.5319 6.9543 6.9543 6.9622 6.9622 7.4187 7.4187 7.4381 7.4381 8.3042 8.3042 8.3102 8.3102 9.6915 9.6915 9.6941 9.6941 10.2570 10.2570 10.2732 10.2732 10.6776 10.6776 10.6813 10.6813 12.6498 12.6498 12.6661 12.6661 12.9380 12.9380 12.9452 12.9452 k = 0.5000 0.2963 0.3121 ( 2900 PWs) bands (ev): -3.7285 -3.7285 -3.7277 -3.7277 -1.5019 -1.5019 -1.5015 -1.5015 3.4982 3.4982 3.5043 3.5043 4.4452 4.4452 4.4540 4.4540 7.0056 7.0056 7.0149 7.0149 7.4121 7.4121 7.4318 7.4318 8.3111 8.3111 8.3164 8.3164 9.6869 9.6869 9.6892 9.6892 10.2854 10.2854 10.3005 10.3005 10.6788 10.6788 10.6818 10.6818 12.6904 12.6904 12.7052 12.7052 12.9167 12.9167 12.9238 12.9238 k = 0.5000 0.3069 0.3121 ( 2912 PWs) bands (ev): -3.7177 -3.7177 -3.7170 -3.7170 -1.5157 -1.5157 -1.5153 -1.5153 3.5293 3.5293 3.5356 3.5356 4.3698 4.3698 4.3783 4.3783 7.0534 7.0534 7.0639 7.0639 7.4046 7.4046 7.4243 7.4243 8.3173 8.3173 8.3220 8.3220 9.6820 9.6820 9.6840 9.6840 10.3116 10.3116 10.3255 10.3255 10.6798 10.6798 10.6823 10.6823 12.7208 12.7208 12.7335 12.7335 12.9079 12.9079 12.9153 12.9153 k = 0.5000 0.3175 0.3121 ( 2912 PWs) bands (ev): -3.7081 -3.7081 -3.7075 -3.7075 -1.5281 -1.5281 -1.5277 -1.5277 3.5635 3.5635 3.5699 3.5699 4.2970 4.2970 4.3054 4.3054 7.0975 7.0975 7.1092 7.1092 7.3961 7.3961 7.4157 7.4157 8.3229 8.3229 8.3269 8.3269 9.6771 9.6771 9.6789 9.6789 10.3353 10.3353 10.3478 10.3478 10.6808 10.6808 10.6828 10.6828 12.7354 12.7354 12.7456 12.7456 12.9169 12.9169 12.9249 12.9249 k = 0.5000 0.3280 0.3121 ( 2916 PWs) bands (ev): -3.6998 -3.6998 -3.6992 -3.6992 -1.5388 -1.5388 -1.5385 -1.5385 3.6004 3.6004 3.6069 3.6069 4.2275 4.2275 4.2356 4.2356 7.1377 7.1377 7.1504 7.1504 7.3864 7.3864 7.4058 7.4058 8.3278 8.3278 8.3312 8.3312 9.6724 9.6724 9.6740 9.6740 10.3563 10.3563 10.3672 10.3672 10.6816 10.6816 10.6832 10.6832 12.7355 12.7355 12.7433 12.7433 12.9420 12.9420 12.9502 12.9502 k = 0.5000 0.3386 0.3121 ( 2920 PWs) bands (ev): -3.6927 -3.6927 -3.6923 -3.6923 -1.5478 -1.5478 -1.5475 -1.5475 3.6392 3.6392 3.6457 3.6457 4.1620 4.1620 4.1697 4.1697 7.1740 7.1740 7.1874 7.1874 7.3758 7.3758 7.3946 7.3946 8.3319 8.3319 8.3347 8.3347 9.6682 9.6682 9.6696 9.6696 10.3742 10.3742 10.3833 10.3833 10.6822 10.6822 10.6836 10.6836 12.7281 12.7281 12.7340 12.7340 12.9754 12.9754 12.9831 12.9831 k = 0.5000 0.3492 0.3121 ( 2928 PWs) bands (ev): -3.6872 -3.6872 -3.6868 -3.6868 -1.5549 -1.5549 -1.5547 -1.5547 3.6789 3.6789 3.6850 3.6850 4.1019 4.1019 4.1090 4.1090 7.2061 7.2061 7.2197 7.2197 7.3643 7.3643 7.3820 7.3820 8.3352 8.3352 8.3373 8.3373 9.6647 9.6647 9.6659 9.6659 10.3887 10.3887 10.3957 10.3957 10.6827 10.6827 10.6840 10.6840 12.7191 12.7191 12.7234 12.7234 13.0096 13.0096 13.0161 13.0161 k = 0.5000 0.3598 0.3121 ( 2920 PWs) bands (ev): -3.6831 -3.6831 -3.6829 -3.6829 -1.5601 -1.5601 -1.5599 -1.5599 3.7168 3.7168 3.7221 3.7221 4.0500 4.0500 4.0560 4.0560 7.2336 7.2336 7.2462 7.2462 7.3531 7.3531 7.3684 7.3684 8.3378 8.3378 8.3391 8.3391 9.6621 9.6621 9.6631 9.6631 10.3997 10.3997 10.4045 10.4045 10.6831 10.6831 10.6843 10.6843 12.7115 12.7115 12.7143 12.7143 13.0395 13.0395 13.0443 13.0443 k = 0.5000 0.3704 0.3121 ( 2920 PWs) bands (ev): -3.6807 -3.6807 -3.6805 -3.6805 -1.5632 -1.5632 -1.5630 -1.5630 3.7475 3.7475 3.7509 3.7509 4.0124 4.0124 4.0161 4.0161 7.2550 7.2550 7.2637 7.2637 7.3450 7.3450 7.3551 7.3551 8.3394 8.3394 8.3401 8.3401 9.6605 9.6605 9.6614 9.6614 10.4068 10.4068 10.4094 10.4094 10.6833 10.6833 10.6844 10.6844 12.7067 12.7067 12.7082 12.7082 13.0604 13.0604 13.0631 13.0631 k = 0.5000 0.3810 0.3121 ( 2920 PWs) bands (ev): -3.6798 -3.6798 -3.6797 -3.6797 -1.5643 -1.5643 -1.5641 -1.5641 3.7613 3.7613 3.7614 3.7614 3.9990 3.9990 3.9991 3.9991 7.2666 7.2666 7.2671 7.2671 7.3453 7.3453 7.3456 7.3456 8.3401 8.3401 8.3403 8.3403 9.6599 9.6599 9.6608 9.6608 10.4096 10.4096 10.4106 10.4106 10.6833 10.6833 10.6845 10.6845 12.7055 12.7055 12.7056 12.7056 13.0685 13.0685 13.0692 13.0692 k = 0.5000 0.3810 0.3121 ( 2920 PWs) bands (ev): -3.6798 -3.6798 -3.6797 -3.6797 -1.5643 -1.5643 -1.5641 -1.5641 3.7613 3.7613 3.7614 3.7614 3.9990 3.9990 3.9991 3.9991 7.2666 7.2666 7.2671 7.2671 7.3453 7.3453 7.3456 7.3456 8.3401 8.3401 8.3403 8.3403 9.6599 9.6599 9.6608 9.6608 10.4096 10.4096 10.4106 10.4106 10.6833 10.6833 10.6845 10.6845 12.7055 12.7055 12.7056 12.7056 13.0685 13.0685 13.0692 13.0692 k = 0.4894 0.3810 0.3121 ( 2920 PWs) bands (ev): -3.6804 -3.6804 -3.6803 -3.6803 -1.5657 -1.5657 -1.5655 -1.5655 3.7630 3.7630 3.7631 3.7631 4.0010 4.0010 4.0010 4.0010 7.2667 7.2667 7.2672 7.2672 7.3456 7.3456 7.3458 7.3458 8.3404 8.3404 8.3406 8.3406 9.6599 9.6599 9.6608 9.6608 10.4097 10.4097 10.4106 10.4106 10.6827 10.6827 10.6839 10.6839 12.7058 12.7058 12.7059 12.7059 13.0701 13.0701 13.0707 13.0707 k = 0.4787 0.3810 0.3121 ( 2924 PWs) bands (ev): -3.6821 -3.6821 -3.6820 -3.6820 -1.5699 -1.5699 -1.5697 -1.5697 3.7681 3.7681 3.7682 3.7682 4.0067 4.0067 4.0068 4.0068 7.2670 7.2670 7.2675 7.2675 7.3463 7.3463 7.3465 7.3465 8.3414 8.3414 8.3416 8.3416 9.6597 9.6597 9.6605 9.6605 10.4097 10.4097 10.4107 10.4107 10.6808 10.6808 10.6819 10.6819 12.7066 12.7066 12.7068 12.7068 13.0747 13.0747 13.0754 13.0754 k = 0.4681 0.3810 0.3121 ( 2920 PWs) bands (ev): -3.6850 -3.6850 -3.6848 -3.6848 -1.5769 -1.5769 -1.5768 -1.5768 3.7766 3.7766 3.7766 3.7766 4.0162 4.0162 4.0163 4.0163 7.2676 7.2676 7.2681 7.2681 7.3474 7.3474 7.3476 7.3476 8.3431 8.3431 8.3433 8.3433 9.6593 9.6593 9.6602 9.6602 10.4099 10.4099 10.4108 10.4108 10.6776 10.6776 10.6788 10.6788 12.7080 12.7080 12.7081 12.7081 13.0826 13.0826 13.0832 13.0832 k = 0.4574 0.3810 0.3121 ( 2916 PWs) bands (ev): -3.6889 -3.6889 -3.6888 -3.6888 -1.5867 -1.5867 -1.5865 -1.5865 3.7884 3.7884 3.7885 3.7885 4.0293 4.0293 4.0294 4.0294 7.2686 7.2686 7.2691 7.2691 7.3488 7.3488 7.3491 7.3491 8.3456 8.3456 8.3458 8.3458 9.6587 9.6587 9.6595 9.6595 10.4100 10.4100 10.4110 10.4110 10.6734 10.6734 10.6746 10.6746 12.7097 12.7097 12.7098 12.7098 13.0935 13.0935 13.0941 13.0941 k = 0.4468 0.3810 0.3121 ( 2924 PWs) bands (ev): -3.6939 -3.6939 -3.6938 -3.6938 -1.5991 -1.5991 -1.5989 -1.5989 3.8035 3.8035 3.8036 3.8036 4.0459 4.0459 4.0460 4.0460 7.2700 7.2700 7.2705 7.2705 7.3506 7.3506 7.3508 7.3508 8.3489 8.3489 8.3491 8.3491 9.6577 9.6577 9.6586 9.6586 10.4102 10.4102 10.4111 10.4111 10.6680 10.6680 10.6691 10.6691 12.7118 12.7118 12.7119 12.7119 13.1075 13.1075 13.1081 13.1081 k = 0.4362 0.3810 0.3121 ( 2916 PWs) bands (ev): -3.7000 -3.7000 -3.6999 -3.6999 -1.6140 -1.6140 -1.6138 -1.6138 3.8219 3.8219 3.8220 3.8220 4.0657 4.0657 4.0658 4.0658 7.2723 7.2723 7.2727 7.2727 7.3525 7.3525 7.3527 7.3527 8.3533 8.3533 8.3535 8.3535 9.6564 9.6564 9.6573 9.6573 10.4104 10.4104 10.4114 10.4114 10.6617 10.6617 10.6628 10.6628 12.7141 12.7141 12.7142 12.7142 13.1246 13.1246 13.1252 13.1252 k = 0.4255 0.3810 0.3121 ( 2912 PWs) bands (ev): -3.7071 -3.7071 -3.7070 -3.7070 -1.6313 -1.6313 -1.6311 -1.6311 3.8435 3.8435 3.8435 3.8435 4.0885 4.0885 4.0886 4.0886 7.2754 7.2754 7.2758 7.2758 7.3543 7.3543 7.3546 7.3546 8.3587 8.3587 8.3589 8.3589 9.6545 9.6545 9.6554 9.6554 10.4107 10.4107 10.4117 10.4117 10.6547 10.6547 10.6558 10.6558 12.7164 12.7164 12.7165 12.7165 13.1447 13.1447 13.1452 13.1452 k = 0.4149 0.3810 0.3121 ( 2908 PWs) bands (ev): -3.7152 -3.7152 -3.7150 -3.7150 -1.6508 -1.6508 -1.6506 -1.6506 3.8682 3.8682 3.8683 3.8683 4.1140 4.1140 4.1141 4.1141 7.2797 7.2797 7.2801 7.2801 7.3561 7.3561 7.3563 7.3563 8.3655 8.3655 8.3657 8.3657 9.6521 9.6521 9.6529 9.6529 10.4111 10.4111 10.4120 10.4120 10.6470 10.6470 10.6481 10.6481 12.7187 12.7187 12.7188 12.7188 13.1676 13.1676 13.1681 13.1681 k = 0.4043 0.3810 0.3121 ( 2916 PWs) bands (ev): -3.7242 -3.7242 -3.7240 -3.7240 -1.6725 -1.6725 -1.6723 -1.6723 3.8959 3.8959 3.8960 3.8960 4.1419 4.1419 4.1420 4.1420 7.2854 7.2854 7.2859 7.2859 7.3574 7.3574 7.3576 7.3576 8.3736 8.3736 8.3738 8.3738 9.6488 9.6488 9.6497 9.6497 10.4114 10.4114 10.4124 10.4124 10.6387 10.6387 10.6399 10.6399 12.7208 12.7208 12.7209 12.7209 13.1932 13.1932 13.1936 13.1936 k = 0.3936 0.3810 0.3121 ( 2916 PWs) bands (ev): -3.7341 -3.7341 -3.7339 -3.7339 -1.6961 -1.6961 -1.6959 -1.6959 3.9266 3.9266 3.9267 3.9267 4.1717 4.1717 4.1718 4.1718 7.2929 7.2929 7.2934 7.2934 7.3583 7.3583 7.3585 7.3585 8.3834 8.3834 8.3836 8.3836 9.6448 9.6448 9.6457 9.6457 10.4118 10.4118 10.4127 10.4127 10.6301 10.6301 10.6312 10.6312 12.7226 12.7226 12.7228 12.7228 13.2212 13.2212 13.2216 13.2216 k = 0.3830 0.3810 0.3121 ( 2916 PWs) bands (ev): -3.7448 -3.7448 -3.7446 -3.7446 -1.7214 -1.7214 -1.7212 -1.7212 3.9602 3.9602 3.9602 3.9602 4.2032 4.2032 4.2033 4.2033 7.3024 7.3024 7.3028 7.3028 7.3585 7.3585 7.3587 7.3587 8.3951 8.3951 8.3953 8.3953 9.6398 9.6398 9.6407 9.6407 10.4122 10.4122 10.4131 10.4131 10.6213 10.6213 10.6223 10.6223 12.7241 12.7241 12.7243 12.7243 13.2506 13.2506 13.2510 13.2510 k = 0.3723 0.3810 0.3121 ( 2924 PWs) bands (ev): -3.7562 -3.7562 -3.7560 -3.7560 -1.7483 -1.7483 -1.7481 -1.7481 3.9965 3.9965 3.9965 3.9965 4.2359 4.2359 4.2360 4.2360 7.3140 7.3140 7.3145 7.3145 7.3581 7.3581 7.3582 7.3582 8.4087 8.4087 8.4089 8.4089 9.6338 9.6338 9.6347 9.6347 10.4126 10.4126 10.4135 10.4135 10.6123 10.6123 10.6133 10.6133 12.7252 12.7252 12.7254 12.7254 13.2649 13.2649 13.2655 13.2655 k = 0.3617 0.3810 0.3121 ( 2924 PWs) bands (ev): -3.7683 -3.7683 -3.7682 -3.7682 -1.7766 -1.7766 -1.7764 -1.7764 4.0354 4.0354 4.0355 4.0355 4.2694 4.2694 4.2695 4.2695 7.3277 7.3277 7.3281 7.3281 7.3572 7.3572 7.3574 7.3574 8.4244 8.4244 8.4247 8.4247 9.6268 9.6268 9.6276 9.6276 10.4129 10.4129 10.4139 10.4139 10.6033 10.6033 10.6044 10.6044 12.7257 12.7257 12.7259 12.7259 13.2334 13.2334 13.2342 13.2342 k = 0.3511 0.3810 0.3121 ( 2928 PWs) bands (ev): -3.7811 -3.7811 -3.7809 -3.7809 -1.8061 -1.8061 -1.8059 -1.8059 4.0769 4.0769 4.0769 4.0769 4.3033 4.3033 4.3034 4.3034 7.3404 7.3404 7.3406 7.3406 7.3593 7.3593 7.3595 7.3595 8.4425 8.4425 8.4428 8.4428 9.6186 9.6186 9.6195 9.6195 10.4133 10.4133 10.4142 10.4142 10.5944 10.5944 10.5954 10.5954 12.7256 12.7256 12.7259 12.7259 13.1956 13.1956 13.1964 13.1964 k = 0.3404 0.3810 0.3121 ( 2928 PWs) bands (ev): -3.7944 -3.7944 -3.7942 -3.7942 -1.8367 -1.8367 -1.8365 -1.8365 4.1207 4.1207 4.1208 4.1208 4.3372 4.3372 4.3373 4.3373 7.3423 7.3423 7.3424 7.3424 7.3739 7.3739 7.3743 7.3743 8.4631 8.4631 8.4633 8.4633 9.6093 9.6093 9.6102 9.6102 10.4136 10.4136 10.4145 10.4145 10.5855 10.5855 10.5865 10.5865 12.7249 12.7249 12.7252 12.7252 13.1562 13.1562 13.1570 13.1570 k = 0.3298 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.8082 -3.8082 -3.8080 -3.8080 -1.8680 -1.8680 -1.8678 -1.8678 4.1669 4.1669 4.1669 4.1669 4.3707 4.3707 4.3708 4.3708 7.3373 7.3373 7.3374 7.3374 7.3976 7.3976 7.3980 7.3980 8.4862 8.4862 8.4864 8.4864 9.5989 9.5989 9.5998 9.5998 10.4137 10.4137 10.4147 10.4147 10.5768 10.5768 10.5778 10.5778 12.7235 12.7235 12.7239 12.7239 13.1160 13.1160 13.1168 13.1168 k = 0.3191 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.8224 -3.8224 -3.8222 -3.8222 -1.9001 -1.9001 -1.8999 -1.8999 4.2151 4.2151 4.2152 4.2152 4.4034 4.4034 4.4035 4.4035 7.3295 7.3295 7.3296 7.3296 7.4264 7.4264 7.4269 7.4269 8.5118 8.5118 8.5121 8.5121 9.5875 9.5875 9.5883 9.5883 10.4137 10.4137 10.4147 10.4147 10.5682 10.5682 10.5692 10.5692 12.7214 12.7214 12.7217 12.7217 13.0754 13.0754 13.0762 13.0762 k = 0.3085 0.3810 0.3121 ( 2928 PWs) bands (ev): -3.8369 -3.8369 -3.8368 -3.8368 -1.9326 -1.9326 -1.9324 -1.9324 4.2653 4.2653 4.2654 4.2654 4.4349 4.4349 4.4350 4.4350 7.3195 7.3195 7.3197 7.3197 7.4598 7.4598 7.4603 7.4603 8.5401 8.5401 8.5403 8.5403 9.5750 9.5750 9.5758 9.5758 10.4136 10.4136 10.4145 10.4145 10.5598 10.5598 10.5608 10.5608 12.7184 12.7184 12.7188 12.7188 13.0350 13.0350 13.0357 13.0357 k = 0.2979 0.3810 0.3121 ( 2936 PWs) bands (ev): -3.8517 -3.8517 -3.8516 -3.8516 -1.9654 -1.9654 -1.9652 -1.9652 4.3174 4.3174 4.3175 4.3175 4.4650 4.4650 4.4652 4.4652 7.3076 7.3076 7.3077 7.3077 7.4979 7.4979 7.4983 7.4983 8.5709 8.5709 8.5711 8.5711 9.5615 9.5615 9.5624 9.5624 10.4131 10.4131 10.4140 10.4140 10.5514 10.5514 10.5523 10.5523 12.7145 12.7145 12.7149 12.7149 12.9949 12.9949 12.9957 12.9957 k = 0.2872 0.3810 0.3121 ( 2936 PWs) bands (ev): -3.8667 -3.8667 -3.8666 -3.8666 -1.9984 -1.9984 -1.9982 -1.9982 4.3712 4.3712 4.3713 4.3713 4.4935 4.4935 4.4936 4.4936 7.2936 7.2936 7.2938 7.2938 7.5406 7.5406 7.5410 7.5410 8.6042 8.6042 8.6045 8.6045 9.5472 9.5472 9.5481 9.5481 10.4123 10.4123 10.4132 10.4132 10.5431 10.5431 10.5440 10.5440 12.7097 12.7097 12.7101 12.7101 12.9558 12.9558 12.9565 12.9565 k = 0.2766 0.3810 0.3121 ( 2928 PWs) bands (ev): -3.8818 -3.8818 -3.8817 -3.8817 -2.0314 -2.0314 -2.0311 -2.0311 4.4266 4.4266 4.4266 4.4266 4.5200 4.5200 4.5201 4.5201 7.2778 7.2778 7.2779 7.2779 7.5881 7.5881 7.5885 7.5885 8.6400 8.6400 8.6402 8.6402 9.5322 9.5322 9.5330 9.5330 10.4111 10.4111 10.4120 10.4120 10.5348 10.5348 10.5357 10.5357 12.7039 12.7039 12.7043 12.7043 12.9179 12.9179 12.9187 12.9187 k = 0.2660 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.8970 -3.8970 -3.8969 -3.8969 -2.0642 -2.0642 -2.0640 -2.0640 4.4832 4.4832 4.4833 4.4833 4.5445 4.5445 4.5446 4.5446 7.2600 7.2600 7.2601 7.2601 7.6403 7.6403 7.6407 7.6407 8.6781 8.6781 8.6783 8.6783 9.5165 9.5165 9.5173 9.5173 10.4093 10.4093 10.4102 10.4102 10.5263 10.5263 10.5271 10.5271 12.6971 12.6971 12.6975 12.6975 12.8818 12.8818 12.8825 12.8825 k = 0.2553 0.3810 0.3121 ( 2940 PWs) bands (ev): -3.9122 -3.9122 -3.9120 -3.9120 -2.0967 -2.0967 -2.0965 -2.0965 4.5409 4.5409 4.5410 4.5410 4.5670 4.5670 4.5672 4.5672 7.2402 7.2402 7.2404 7.2404 7.6973 7.6973 7.6977 7.6977 8.7182 8.7182 8.7184 8.7184 9.5003 9.5003 9.5011 9.5011 10.4069 10.4069 10.4078 10.4078 10.5176 10.5176 10.5183 10.5183 12.6891 12.6891 12.6896 12.6896 12.8476 12.8476 12.8483 12.8483 k = 0.2447 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.9272 -3.9272 -3.9271 -3.9271 -2.1288 -2.1288 -2.1286 -2.1286 4.5855 4.5855 4.5856 4.5856 4.6016 4.6016 4.6017 4.6017 7.2187 7.2187 7.2189 7.2189 7.7589 7.7589 7.7593 7.7593 8.7603 8.7603 8.7605 8.7605 9.4837 9.4837 9.4845 9.4845 10.4038 10.4038 10.4047 10.4047 10.5086 10.5086 10.5093 10.5093 12.6800 12.6800 12.6805 12.6805 12.8161 12.8161 12.8168 12.8168 k = 0.2340 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.9422 -3.9422 -3.9420 -3.9420 -2.1604 -2.1604 -2.1602 -2.1602 4.6039 4.6039 4.6041 4.6041 4.6610 4.6610 4.6611 4.6611 7.1954 7.1954 7.1956 7.1956 7.8250 7.8250 7.8254 7.8254 8.8041 8.8041 8.8043 8.8043 9.4669 9.4669 9.4677 9.4677 10.3999 10.3999 10.4007 10.4007 10.4991 10.4991 10.4998 10.4998 12.6698 12.6698 12.6703 12.6703 12.7873 12.7873 12.7880 12.7880 k = 0.2234 0.3810 0.3121 ( 2928 PWs) bands (ev): -3.9569 -3.9569 -3.9567 -3.9567 -2.1913 -2.1913 -2.1911 -2.1911 4.6195 4.6195 4.6197 4.6197 4.7218 4.7218 4.7219 4.7219 7.1705 7.1705 7.1707 7.1707 7.8953 7.8953 7.8957 7.8957 8.8494 8.8494 8.8497 8.8497 9.4500 9.4500 9.4508 9.4508 10.3950 10.3950 10.3958 10.3958 10.4890 10.4890 10.4897 10.4897 12.6585 12.6585 12.6589 12.6589 12.7618 12.7618 12.7625 12.7625 k = 0.2128 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.9713 -3.9713 -3.9712 -3.9712 -2.2214 -2.2214 -2.2212 -2.2212 4.6330 4.6330 4.6331 4.6331 4.7832 4.7832 4.7833 4.7833 7.1439 7.1439 7.1441 7.1441 7.9696 7.9696 7.9700 7.9700 8.8960 8.8960 8.8962 8.8962 9.4331 9.4331 9.4339 9.4339 10.3891 10.3891 10.3899 10.3899 10.4781 10.4781 10.4788 10.4788 12.6460 12.6460 12.6465 12.6465 12.7398 12.7398 12.7404 12.7404 k = 0.2021 0.3810 0.3121 ( 2932 PWs) bands (ev): -3.9855 -3.9855 -3.9853 -3.9853 -2.2507 -2.2507 -2.2504 -2.2504 4.6444 4.6444 4.6445 4.6445 4.8452 4.8452 4.8453 4.8453 7.1158 7.1158 7.1161 7.1161 8.0475 8.0475 8.0479 8.0479 8.9435 8.9435 8.9437 8.9437 9.4163 9.4163 9.4171 9.4171 10.3820 10.3820 10.3828 10.3828 10.4665 10.4665 10.4671 10.4671 12.6327 12.6327 12.6331 12.6331 12.7214 12.7214 12.7220 12.7220 k = 0.1915 0.3810 0.3121 ( 2924 PWs) bands (ev): -3.9992 -3.9992 -3.9990 -3.9990 -2.2789 -2.2789 -2.2787 -2.2787 4.6539 4.6539 4.6540 4.6540 4.9075 4.9075 4.9075 4.9075 7.0864 7.0864 7.0866 7.0866 8.1287 8.1287 8.1291 8.1291 8.9918 8.9918 8.9920 8.9920 9.3999 9.3999 9.4007 9.4007 10.3736 10.3736 10.3744 10.3744 10.4539 10.4539 10.4545 10.4545 12.6185 12.6185 12.6190 12.6190 12.7068 12.7068 12.7074 12.7074 k = 0.1809 0.3810 0.3121 ( 2920 PWs) bands (ev): -4.0125 -4.0125 -4.0123 -4.0123 -2.3061 -2.3061 -2.3059 -2.3059 4.6616 4.6616 4.6618 4.6618 4.9698 4.9698 4.9699 4.9699 7.0556 7.0556 7.0558 7.0558 8.2128 8.2128 8.2132 8.2132 9.0405 9.0405 9.0407 9.0407 9.3840 9.3840 9.3848 9.3848 10.3639 10.3639 10.3646 10.3646 10.4402 10.4402 10.4408 10.4408 12.6036 12.6036 12.6041 12.6041 12.6962 12.6962 12.6968 12.6968 k = 0.1702 0.3810 0.3121 ( 2920 PWs) bands (ev): -4.0253 -4.0253 -4.0251 -4.0251 -2.3322 -2.3322 -2.3320 -2.3320 4.6678 4.6678 4.6680 4.6680 5.0322 5.0322 5.0323 5.0323 7.0235 7.0235 7.0238 7.0238 8.2993 8.2993 8.2997 8.2997 9.0894 9.0894 9.0895 9.0895 9.3686 9.3686 9.3694 9.3694 10.3527 10.3527 10.3534 10.3534 10.4252 10.4252 10.4258 10.4258 12.5880 12.5880 12.5886 12.5886 12.6897 12.6897 12.6903 12.6903 k = 0.1596 0.3810 0.3121 ( 2916 PWs) bands (ev): -4.0376 -4.0376 -4.0374 -4.0374 -2.3571 -2.3571 -2.3568 -2.3568 4.6726 4.6726 4.6728 4.6728 5.0942 5.0942 5.0943 5.0943 6.9904 6.9904 6.9906 6.9906 8.3877 8.3877 8.3881 8.3881 9.1380 9.1380 9.1382 9.1382 9.3540 9.3540 9.3548 9.3548 10.3399 10.3399 10.3406 10.3406 10.4090 10.4090 10.4095 10.4095 12.5718 12.5718 12.5723 12.5723 12.6876 12.6876 12.6882 12.6882 k = 0.1489 0.3810 0.3121 ( 2916 PWs) bands (ev): -4.0492 -4.0492 -4.0491 -4.0491 -2.3806 -2.3806 -2.3804 -2.3804 4.6761 4.6761 4.6763 4.6763 5.1559 5.1559 5.1560 5.1560 6.9563 6.9563 6.9565 6.9565 8.4776 8.4776 8.4779 8.4779 9.1861 9.1861 9.1862 9.1862 9.3405 9.3405 9.3413 9.3413 10.3254 10.3254 10.3260 10.3260 10.3913 10.3913 10.3919 10.3919 12.5549 12.5549 12.5555 12.5555 12.6898 12.6898 12.6904 12.6904 k = 0.1383 0.3810 0.3121 ( 2916 PWs) bands (ev): -4.0603 -4.0603 -4.0602 -4.0602 -2.4028 -2.4028 -2.4026 -2.4026 4.6786 4.6786 4.6788 4.6788 5.2168 5.2168 5.2169 5.2169 6.9213 6.9213 6.9216 6.9216 8.5683 8.5683 8.5687 8.5687 9.2329 9.2329 9.2330 9.2330 9.3285 9.3285 9.3293 9.3293 10.3091 10.3091 10.3096 10.3096 10.3724 10.3724 10.3729 10.3729 12.5375 12.5375 12.5381 12.5381 12.6964 12.6964 12.6970 12.6970 k = 0.1277 0.3810 0.3121 ( 2908 PWs) bands (ev): -4.0707 -4.0707 -4.0705 -4.0705 -2.4236 -2.4236 -2.4234 -2.4234 4.6803 4.6803 4.6805 4.6805 5.2768 5.2768 5.2769 5.2769 6.8858 6.8858 6.8860 6.8860 8.6593 8.6593 8.6596 8.6596 9.2758 9.2758 9.2760 9.2760 9.3208 9.3208 9.3215 9.3215 10.2907 10.2907 10.2912 10.2912 10.3522 10.3522 10.3527 10.3527 12.5196 12.5196 12.5203 12.5203 12.7071 12.7071 12.7077 12.7077 k = 0.1170 0.3810 0.3121 ( 2912 PWs) bands (ev): -4.0804 -4.0804 -4.0802 -4.0802 -2.4429 -2.4429 -2.4427 -2.4427 4.6812 4.6812 4.6814 4.6814 5.3356 5.3356 5.3357 5.3357 6.8497 6.8497 6.8500 6.8500 8.7497 8.7497 8.7500 8.7500 9.2955 9.2955 9.2961 9.2961 9.3365 9.3365 9.3367 9.3367 10.2699 10.2699 10.2704 10.2704 10.3310 10.3310 10.3315 10.3315 12.5016 12.5016 12.5023 12.5023 12.7216 12.7216 12.7221 12.7221 k = 0.1064 0.3810 0.3121 ( 2900 PWs) bands (ev): -4.0894 -4.0894 -4.0892 -4.0892 -2.4607 -2.4607 -2.4604 -2.4604 4.6815 4.6815 4.6817 4.6817 5.3929 5.3929 5.3930 5.3930 6.8135 6.8135 6.8139 6.8139 8.8386 8.8386 8.8390 8.8390 9.2919 9.2919 9.2926 9.2926 9.3761 9.3761 9.3762 9.3762 10.2465 10.2465 10.2470 10.2470 10.3093 10.3093 10.3098 10.3098 12.4837 12.4837 12.4843 12.4843 12.7393 12.7393 12.7399 12.7399 k = 0.0957 0.3810 0.3121 ( 2900 PWs) bands (ev): -4.0976 -4.0976 -4.0974 -4.0974 -2.4769 -2.4769 -2.4767 -2.4767 4.6814 4.6814 4.6816 4.6816 5.4482 5.4482 5.4483 5.4483 6.7775 6.7775 6.7778 6.7778 8.9247 8.9247 8.9250 8.9250 9.2876 9.2876 9.2883 9.2883 9.4174 9.4174 9.4175 9.4175 10.2201 10.2201 10.2205 10.2205 10.2873 10.2873 10.2879 10.2879 12.4661 12.4661 12.4668 12.4668 12.7597 12.7597 12.7602 12.7602 k = 0.0851 0.3810 0.3121 ( 2892 PWs) bands (ev): -4.1050 -4.1050 -4.1048 -4.1048 -2.4915 -2.4915 -2.4913 -2.4913 4.6809 4.6809 4.6811 4.6811 5.5012 5.5012 5.5012 5.5012 6.7420 6.7420 6.7423 6.7423 9.0056 9.0056 9.0059 9.0059 9.2872 9.2872 9.2878 9.2878 9.4573 9.4573 9.4574 9.4574 10.1903 10.1903 10.1908 10.1908 10.2657 10.2657 10.2663 10.2663 12.4492 12.4492 12.4499 12.4499 12.7819 12.7819 12.7825 12.7825 k = 0.0745 0.3810 0.3121 ( 2884 PWs) bands (ev): -4.1116 -4.1116 -4.1114 -4.1114 -2.5045 -2.5045 -2.5042 -2.5042 4.6803 4.6803 4.6805 4.6805 5.5512 5.5512 5.5513 5.5513 6.7075 6.7075 6.7078 6.7078 9.0770 9.0770 9.0773 9.0773 9.2948 9.2948 9.2953 9.2953 9.4950 9.4950 9.4951 9.4951 10.1572 10.1572 10.1577 10.1577 10.2447 10.2447 10.2454 10.2454 12.4332 12.4332 12.4339 12.4339 12.8052 12.8052 12.8058 12.8058 k = 0.0638 0.3810 0.3121 ( 2888 PWs) bands (ev): -4.1173 -4.1173 -4.1172 -4.1172 -2.5158 -2.5158 -2.5156 -2.5156 4.6795 4.6795 4.6797 4.6797 5.5977 5.5977 5.5977 5.5977 6.6746 6.6746 6.6749 6.6749 9.1315 9.1315 9.1320 9.1320 9.3169 9.3169 9.3173 9.3173 9.5300 9.5300 9.5301 9.5301 10.1208 10.1208 10.1214 10.1214 10.2248 10.2248 10.2255 10.2255 12.4186 12.4186 12.4193 12.4193 12.8285 12.8285 12.8291 12.8291 k = 0.0532 0.3810 0.3121 ( 2892 PWs) bands (ev): -4.1222 -4.1222 -4.1221 -4.1221 -2.5254 -2.5254 -2.5252 -2.5252 4.6787 4.6787 4.6789 4.6789 5.6397 5.6397 5.6398 5.6398 6.6441 6.6441 6.6445 6.6445 9.1639 9.1639 9.1645 9.1645 9.3580 9.3580 9.3583 9.3583 9.5619 9.5619 9.5620 9.5620 10.0818 10.0818 10.0824 10.0824 10.2063 10.2063 10.2070 10.2070 12.4055 12.4055 12.4062 12.4062 12.8508 12.8508 12.8513 12.8513 k = 0.0426 0.3810 0.3121 ( 2888 PWs) bands (ev): -4.1263 -4.1263 -4.1261 -4.1261 -2.5333 -2.5333 -2.5331 -2.5331 4.6779 4.6779 4.6782 4.6782 5.6764 5.6764 5.6765 5.6765 6.6169 6.6169 6.6173 6.6173 9.1789 9.1789 9.1797 9.1797 9.4116 9.4116 9.4119 9.4119 9.5903 9.5903 9.5904 9.5904 10.0411 10.0411 10.0417 10.0417 10.1900 10.1900 10.1907 10.1907 12.3943 12.3943 12.3951 12.3951 12.8710 12.8710 12.8715 12.8715 k = 0.0319 0.3810 0.3121 ( 2892 PWs) bands (ev): -4.1294 -4.1294 -4.1293 -4.1293 -2.5395 -2.5395 -2.5392 -2.5392 4.6773 4.6773 4.6775 4.6775 5.7067 5.7067 5.7068 5.7068 6.5940 6.5940 6.5944 6.5944 9.1852 9.1852 9.1860 9.1860 9.4668 9.4668 9.4671 9.4671 9.6149 9.6149 9.6151 9.6151 10.0002 10.0002 10.0009 10.0009 10.1761 10.1761 10.1769 10.1769 12.3854 12.3854 12.3861 12.3861 12.8879 12.8879 12.8885 12.8885 k = 0.0213 0.3810 0.3121 ( 2892 PWs) bands (ev): -4.1317 -4.1317 -4.1315 -4.1315 -2.5439 -2.5439 -2.5436 -2.5436 4.6768 4.6768 4.6770 4.6770 5.7294 5.7294 5.7295 5.7295 6.5766 6.5766 6.5770 6.5770 9.1877 9.1877 9.1885 9.1885 9.5145 9.5145 9.5148 9.5148 9.6357 9.6357 9.6358 9.6358 9.9626 9.9626 9.9633 9.9633 10.1656 10.1656 10.1664 10.1664 12.3788 12.3788 12.3795 12.3795 12.9008 12.9008 12.9014 12.9014 k = 0.0106 0.3810 0.3121 ( 2880 PWs) bands (ev): -4.1330 -4.1330 -4.1329 -4.1329 -2.5465 -2.5465 -2.5463 -2.5463 4.6765 4.6765 4.6767 4.6767 5.7436 5.7436 5.7437 5.7437 6.5657 6.5657 6.5661 6.5661 9.1886 9.1886 9.1895 9.1895 9.5469 9.5469 9.5471 9.5471 9.6514 9.6514 9.6515 9.6515 9.9340 9.9340 9.9348 9.9348 10.1590 10.1590 10.1598 10.1598 12.3748 12.3748 12.3756 12.3756 12.9089 12.9089 12.9095 12.9095 k = 0.0000 0.3810 0.3121 ( 2880 PWs) bands (ev): -4.1335 -4.1335 -4.1333 -4.1333 -2.5474 -2.5474 -2.5472 -2.5472 4.6764 4.6764 4.6766 4.6766 5.7484 5.7484 5.7485 5.7485 6.5619 6.5619 6.5624 6.5624 9.1888 9.1888 9.1897 9.1897 9.5583 9.5583 9.5585 9.5585 9.6577 9.6577 9.6579 9.6579 9.9228 9.9228 9.9236 9.9236 10.1568 10.1568 10.1576 10.1576 12.3735 12.3735 12.3742 12.3742 12.9117 12.9117 12.9122 12.9122 k = 0.0000 0.3810 0.3121 ( 2880 PWs) bands (ev): -4.1335 -4.1335 -4.1333 -4.1333 -2.5474 -2.5474 -2.5472 -2.5472 4.6764 4.6764 4.6766 4.6766 5.7484 5.7484 5.7485 5.7485 6.5619 6.5619 6.5624 6.5624 9.1888 9.1888 9.1897 9.1897 9.5583 9.5583 9.5585 9.5585 9.6577 9.6577 9.6579 9.6579 9.9228 9.9228 9.9236 9.9236 10.1568 10.1568 10.1576 10.1576 12.3735 12.3735 12.3742 12.3742 12.9117 12.9117 12.9122 12.9122 k = 0.0000 0.3704 0.3121 ( 2876 PWs) bands (ev): -4.1362 -4.1362 -4.1361 -4.1361 -2.5433 -2.5433 -2.5430 -2.5430 4.6735 4.6735 4.6737 4.6737 5.7519 5.7519 5.7521 5.7521 6.5626 6.5626 6.5630 6.5630 9.1775 9.1775 9.1784 9.1784 9.5551 9.5551 9.5553 9.5553 9.6575 9.6575 9.6576 9.6576 9.9276 9.9276 9.9283 9.9283 10.1609 10.1609 10.1617 10.1617 12.3745 12.3745 12.3753 12.3753 12.9134 12.9134 12.9139 12.9139 k = 0.0000 0.3598 0.3121 ( 2884 PWs) bands (ev): -4.1444 -4.1444 -4.1442 -4.1442 -2.5311 -2.5311 -2.5308 -2.5308 4.6647 4.6647 4.6649 4.6649 5.7624 5.7624 5.7626 5.7626 6.5646 6.5646 6.5650 6.5650 9.1451 9.1451 9.1459 9.1459 9.5440 9.5440 9.5442 9.5442 9.6578 9.6578 9.6581 9.6581 9.9408 9.9408 9.9416 9.9416 10.1727 10.1727 10.1734 10.1734 12.3775 12.3775 12.3783 12.3783 12.9184 12.9184 12.9189 12.9189 k = 0.0000 0.3492 0.3121 ( 2892 PWs) bands (ev): -4.1576 -4.1576 -4.1575 -4.1575 -2.5111 -2.5111 -2.5108 -2.5108 4.6504 4.6504 4.6506 4.6506 5.7795 5.7795 5.7796 5.7796 6.5679 6.5679 6.5683 6.5683 9.0951 9.0951 9.0958 9.0958 9.5231 9.5231 9.5233 9.5233 9.6607 9.6607 9.6610 9.6610 9.9607 9.9607 9.9614 9.9614 10.1909 10.1909 10.1916 10.1916 12.3824 12.3824 12.3832 12.3832 12.9268 12.9268 12.9273 12.9273 k = 0.0000 0.3386 0.3121 ( 2888 PWs) bands (ev): -4.1755 -4.1755 -4.1754 -4.1754 -2.4837 -2.4837 -2.4835 -2.4835 4.6314 4.6314 4.6316 4.6316 5.8024 5.8024 5.8025 5.8025 6.5725 6.5725 6.5729 6.5729 9.0316 9.0316 9.0322 9.0322 9.4928 9.4928 9.4930 9.4930 9.6660 9.6660 9.6663 9.6663 9.9848 9.9848 9.9855 9.9855 10.2140 10.2140 10.2148 10.2148 12.3891 12.3891 12.3898 12.3898 12.9385 12.9385 12.9390 12.9390 k = 0.0000 0.3280 0.3121 ( 2884 PWs) bands (ev): -4.1976 -4.1976 -4.1974 -4.1974 -2.4496 -2.4496 -2.4493 -2.4493 4.6082 4.6082 4.6084 4.6084 5.8304 5.8304 5.8305 5.8305 6.5785 6.5785 6.5789 6.5789 8.9576 8.9576 8.9581 8.9581 9.4551 9.4551 9.4553 9.4553 9.6727 9.6727 9.6731 9.6731 10.0110 10.0110 10.0117 10.0117 10.2406 10.2406 10.2414 10.2414 12.3971 12.3971 12.3979 12.3979 12.9534 12.9534 12.9540 12.9540 k = 0.0000 0.3175 0.3121 ( 2884 PWs) bands (ev): -4.2232 -4.2232 -4.2230 -4.2230 -2.4093 -2.4093 -2.4091 -2.4091 4.5816 4.5816 4.5817 4.5817 5.8627 5.8627 5.8627 5.8627 6.5857 6.5857 6.5861 6.5861 8.8758 8.8758 8.8763 8.8763 9.4119 9.4119 9.4121 9.4121 9.6801 9.6801 9.6806 9.6806 10.0376 10.0376 10.0383 10.0383 10.2692 10.2692 10.2700 10.2700 12.4063 12.4063 12.4070 12.4070 12.9715 12.9715 12.9721 12.9721 k = 0.0000 0.3069 0.3121 ( 2888 PWs) bands (ev): -4.2517 -4.2517 -4.2516 -4.2516 -2.3636 -2.3636 -2.3634 -2.3634 4.5522 4.5522 4.5523 4.5523 5.8983 5.8983 5.8984 5.8984 6.5942 6.5942 6.5947 6.5947 8.7881 8.7881 8.7885 8.7885 9.3647 9.3647 9.3649 9.3649 9.6879 9.6879 9.6884 9.6884 10.0634 10.0634 10.0640 10.0640 10.2988 10.2988 10.2995 10.2995 12.4161 12.4161 12.4168 12.4168 12.9927 12.9927 12.9933 12.9933 k = 0.0000 0.2963 0.3121 ( 2886 PWs) bands (ev): -4.2826 -4.2826 -4.2824 -4.2824 -2.3131 -2.3131 -2.3129 -2.3129 4.5206 4.5206 4.5208 4.5208 5.9365 5.9365 5.9366 5.9366 6.6040 6.6040 6.6044 6.6044 8.6961 8.6961 8.6965 8.6965 9.3146 9.3146 9.3148 9.3148 9.6960 9.6960 9.6965 9.6965 10.0874 10.0874 10.0880 10.0880 10.3286 10.3286 10.3294 10.3294 12.4263 12.4263 12.4270 12.4270 13.0169 13.0169 13.0174 13.0174 k = 0.0000 0.2857 0.3121 ( 2894 PWs) bands (ev): -4.3153 -4.3153 -4.3151 -4.3151 -2.2584 -2.2584 -2.2582 -2.2582 4.4875 4.4875 4.4876 4.4876 5.9765 5.9765 5.9765 5.9765 6.6150 6.6150 6.6154 6.6154 8.6010 8.6010 8.6013 8.6013 9.2622 9.2622 9.2624 9.2624 9.7044 9.7044 9.7050 9.7050 10.1091 10.1091 10.1097 10.1097 10.3581 10.3581 10.3589 10.3589 12.4363 12.4363 12.4371 12.4371 13.0438 13.0438 13.0443 13.0443 k = 0.0000 0.2751 0.3121 ( 2894 PWs) bands (ev): -4.3492 -4.3492 -4.3491 -4.3491 -2.2002 -2.2002 -2.2000 -2.2000 4.4534 4.4534 4.4535 4.4535 6.0174 6.0174 6.0174 6.0174 6.6273 6.6273 6.6277 6.6277 8.5040 8.5040 8.5043 8.5043 9.2083 9.2083 9.2085 9.2085 9.7133 9.7133 9.7138 9.7138 10.1283 10.1283 10.1290 10.1290 10.3868 10.3868 10.3876 10.3876 12.4459 12.4459 12.4466 12.4466 13.0734 13.0734 13.0740 13.0740 k = 0.0000 0.2646 0.3121 ( 2888 PWs) bands (ev): -4.3840 -4.3840 -4.3839 -4.3839 -2.1390 -2.1390 -2.1388 -2.1388 4.4185 4.4185 4.4186 4.4186 6.0585 6.0585 6.0585 6.0585 6.6408 6.6408 6.6412 6.6412 8.4063 8.4063 8.4066 8.4066 9.1531 9.1531 9.1533 9.1533 9.7226 9.7226 9.7232 9.7232 10.1449 10.1449 10.1456 10.1456 10.4145 10.4145 10.4153 10.4153 12.4546 12.4546 12.4553 12.4553 13.1056 13.1056 13.1062 13.1062 k = 0.0000 0.2540 0.3121 ( 2888 PWs) bands (ev): -4.4193 -4.4193 -4.4191 -4.4191 -2.0753 -2.0753 -2.0751 -2.0751 4.3834 4.3834 4.3835 4.3835 6.0989 6.0989 6.0989 6.0989 6.6554 6.6554 6.6558 6.6558 8.3089 8.3089 8.3092 8.3092 9.0971 9.0971 9.0974 9.0974 9.7324 9.7324 9.7330 9.7330 10.1589 10.1589 10.1596 10.1596 10.4408 10.4408 10.4416 10.4416 12.4621 12.4621 12.4627 12.4627 13.1401 13.1401 13.1407 13.1407 k = 0.0000 0.2434 0.3121 ( 2888 PWs) bands (ev): -4.4547 -4.4547 -4.4545 -4.4545 -2.0096 -2.0096 -2.0094 -2.0094 4.3482 4.3482 4.3483 4.3483 6.1379 6.1379 6.1380 6.1380 6.6712 6.6712 6.6716 6.6716 8.2129 8.2129 8.2131 8.2131 9.0406 9.0406 9.0408 9.0408 9.7427 9.7427 9.7433 9.7433 10.1705 10.1705 10.1712 10.1712 10.4658 10.4658 10.4666 10.4666 12.4678 12.4678 12.4685 12.4685 13.1766 13.1766 13.1772 13.1772 k = 0.0000 0.2328 0.3121 ( 2888 PWs) bands (ev): -4.4899 -4.4899 -4.4897 -4.4897 -1.9424 -1.9424 -1.9422 -1.9422 4.3133 4.3133 4.3134 4.3134 6.1746 6.1746 6.1747 6.1747 6.6880 6.6880 6.6885 6.6885 8.1193 8.1193 8.1195 8.1195 8.9838 8.9838 8.9841 8.9841 9.7536 9.7536 9.7542 9.7542 10.1797 10.1797 10.1804 10.1804 10.4893 10.4893 10.4901 10.4901 12.4717 12.4717 12.4723 12.4723 13.2150 13.2150 13.2156 13.2156 k = 0.0000 0.2222 0.3121 ( 2888 PWs) bands (ev): -4.5246 -4.5246 -4.5244 -4.5244 -1.8741 -1.8741 -1.8739 -1.8739 4.2788 4.2788 4.2789 4.2789 6.2082 6.2082 6.2082 6.2082 6.7060 6.7060 6.7064 6.7064 8.0293 8.0293 8.0295 8.0295 8.9270 8.9270 8.9272 8.9272 9.7649 9.7649 9.7655 9.7655 10.1868 10.1868 10.1875 10.1875 10.5112 10.5112 10.5121 10.5121 12.4733 12.4733 12.4739 12.4739 13.2550 13.2550 13.2556 13.2556 k = 0.0000 0.2116 0.3121 ( 2902 PWs) bands (ev): -4.5587 -4.5587 -4.5585 -4.5585 -1.8051 -1.8051 -1.8049 -1.8049 4.2449 4.2449 4.2450 4.2450 6.2376 6.2376 6.2376 6.2376 6.7249 6.7249 6.7253 6.7253 7.9442 7.9442 7.9443 7.9443 8.8702 8.8702 8.8705 8.8705 9.7767 9.7767 9.7773 9.7773 10.1920 10.1920 10.1927 10.1927 10.5315 10.5315 10.5324 10.5324 12.4724 12.4724 12.4730 12.4730 13.2963 13.2963 13.2969 13.2969 k = 0.0000 0.2011 0.3121 ( 2902 PWs) bands (ev): -4.5919 -4.5919 -4.5917 -4.5917 -1.7358 -1.7358 -1.7356 -1.7356 4.2118 4.2118 4.2119 4.2119 6.2618 6.2618 6.2619 6.2619 6.7448 6.7448 6.7452 6.7452 7.8650 7.8650 7.8652 7.8652 8.8138 8.8138 8.8141 8.8141 9.7891 9.7891 9.7897 9.7897 10.1956 10.1956 10.1964 10.1964 10.5504 10.5504 10.5512 10.5512 12.4689 12.4689 12.4694 12.4694 13.3386 13.3386 13.3392 13.3392 k = 0.0000 0.1905 0.3121 ( 2902 PWs) bands (ev): -4.6241 -4.6241 -4.6239 -4.6239 -1.6666 -1.6666 -1.6664 -1.6664 4.1796 4.1796 4.1797 4.1797 6.2799 6.2799 6.2800 6.2800 6.7656 6.7656 6.7660 6.7660 7.7932 7.7932 7.7933 7.7933 8.7579 8.7579 8.7582 8.7582 9.8018 9.8018 9.8024 9.8024 10.1978 10.1978 10.1986 10.1986 10.5677 10.5677 10.5686 10.5686 12.4627 12.4627 12.4632 12.4632 13.3816 13.3816 13.3822 13.3822 k = 0.0000 0.1799 0.3121 ( 2902 PWs) bands (ev): -4.6551 -4.6551 -4.6550 -4.6550 -1.5979 -1.5979 -1.5977 -1.5977 4.1484 4.1484 4.1485 4.1485 6.2909 6.2909 6.2910 6.2910 6.7871 6.7871 6.7875 6.7875 7.7297 7.7297 7.7299 7.7299 8.7027 8.7027 8.7030 8.7030 9.8149 9.8149 9.8155 9.8155 10.1990 10.1990 10.1998 10.1998 10.5836 10.5836 10.5845 10.5845 12.4537 12.4537 12.4541 12.4541 13.4249 13.4249 13.4255 13.4255 k = 0.0000 0.1693 0.3121 ( 2902 PWs) bands (ev): -4.6849 -4.6849 -4.6847 -4.6847 -1.5300 -1.5300 -1.5299 -1.5299 4.1184 4.1184 4.1185 4.1185 6.2942 6.2942 6.2943 6.2943 6.8094 6.8094 6.8098 6.8098 7.6756 7.6756 7.6757 7.6757 8.6484 8.6484 8.6487 8.6487 9.8282 9.8282 9.8288 9.8288 10.1991 10.1991 10.2000 10.2000 10.5981 10.5981 10.5990 10.5990 12.4420 12.4420 12.4423 12.4423 13.4681 13.4681 13.4687 13.4687 k = 0.0000 0.1587 0.3121 ( 2906 PWs) bands (ev): -4.7132 -4.7132 -4.7131 -4.7131 -1.4634 -1.4634 -1.4633 -1.4633 4.0896 4.0896 4.0896 4.0896 6.2893 6.2893 6.2894 6.2894 6.8323 6.8323 6.8327 6.8327 7.6313 7.6313 7.6314 7.6314 8.5951 8.5951 8.5954 8.5954 9.8416 9.8416 9.8422 9.8422 10.1987 10.1987 10.1995 10.1995 10.6112 10.6112 10.6121 10.6121 12.4275 12.4275 12.4279 12.4279 13.5107 13.5107 13.5112 13.5112 k = 0.0000 0.1481 0.3121 ( 2904 PWs) bands (ev): -4.7401 -4.7401 -4.7399 -4.7399 -1.3985 -1.3985 -1.3983 -1.3983 4.0620 4.0620 4.0621 4.0621 6.2764 6.2764 6.2766 6.2766 6.8557 6.8557 6.8561 6.8561 7.5969 7.5969 7.5970 7.5970 8.5430 8.5430 8.5433 8.5433 9.8551 9.8551 9.8557 9.8557 10.1978 10.1978 10.1987 10.1987 10.6231 10.6231 10.6240 10.6240 12.4107 12.4107 12.4110 12.4110 13.5507 13.5507 13.5513 13.5513 k = 0.0000 0.1376 0.3121 ( 2904 PWs) bands (ev): -4.7654 -4.7654 -4.7652 -4.7652 -1.3356 -1.3356 -1.3355 -1.3355 4.0359 4.0359 4.0360 4.0360 6.2561 6.2561 6.2563 6.2563 6.8795 6.8795 6.8798 6.8798 7.5722 7.5722 7.5723 7.5723 8.4924 8.4924 8.4927 8.4927 9.8684 9.8684 9.8691 9.8691 10.1968 10.1968 10.1976 10.1976 10.6337 10.6337 10.6347 10.6347 12.3916 12.3916 12.3918 12.3918 13.5721 13.5721 13.5723 13.5723 k = 0.0000 0.1270 0.3121 ( 2914 PWs) bands (ev): -4.7891 -4.7891 -4.7889 -4.7889 -1.2752 -1.2752 -1.2750 -1.2750 4.0112 4.0112 4.0113 4.0113 6.2296 6.2296 6.2297 6.2297 6.9033 6.9033 6.9037 6.9037 7.5560 7.5560 7.5561 7.5561 8.4434 8.4434 8.4437 8.4437 9.8814 9.8814 9.8820 9.8820 10.1957 10.1957 10.1966 10.1966 10.6432 10.6432 10.6441 10.6441 12.3706 12.3706 12.3709 12.3709 13.5555 13.5555 13.5557 13.5557 k = 0.0000 0.1164 0.3121 ( 2914 PWs) bands (ev): -4.8110 -4.8110 -4.8109 -4.8109 -1.2176 -1.2176 -1.2174 -1.2174 3.9881 3.9881 3.9882 3.9882 6.1981 6.1981 6.1983 6.1983 6.9272 6.9272 6.9276 6.9276 7.5473 7.5473 7.5474 7.5474 8.3962 8.3962 8.3965 8.3965 9.8939 9.8939 9.8945 9.8945 10.1949 10.1949 10.1958 10.1958 10.6517 10.6517 10.6527 10.6527 12.3483 12.3483 12.3485 12.3485 13.5346 13.5346 13.5349 13.5349 k = 0.0000 0.1058 0.3121 ( 2900 PWs) bands (ev): -4.8312 -4.8312 -4.8311 -4.8311 -1.1632 -1.1632 -1.1631 -1.1631 3.9666 3.9666 3.9667 3.9667 6.1635 6.1635 6.1637 6.1637 6.9509 6.9509 6.9513 6.9513 7.5446 7.5446 7.5447 7.5447 8.3513 8.3513 8.3516 8.3516 9.9058 9.9058 9.9064 9.9064 10.1946 10.1946 10.1955 10.1955 10.6592 10.6592 10.6602 10.6602 12.3251 12.3251 12.3254 12.3254 13.5152 13.5152 13.5155 13.5155 k = 0.0000 0.0952 0.3121 ( 2914 PWs) bands (ev): -4.8496 -4.8496 -4.8495 -4.8495 -1.1126 -1.1126 -1.1124 -1.1124 3.9468 3.9468 3.9469 3.9469 6.1272 6.1272 6.1274 6.1274 6.9740 6.9740 6.9743 6.9743 7.5464 7.5464 7.5465 7.5465 8.3087 8.3087 8.3090 8.3090 9.9167 9.9167 9.9173 9.9173 10.1947 10.1947 10.1955 10.1955 10.6657 10.6657 10.6667 10.6667 12.3014 12.3014 12.3017 12.3017 13.4977 13.4977 13.4981 13.4981 k = 0.0000 0.0847 0.3121 ( 2910 PWs) bands (ev): -4.8662 -4.8662 -4.8660 -4.8660 -1.0659 -1.0659 -1.0658 -1.0658 3.9288 3.9288 3.9290 3.9290 6.0908 6.0908 6.0910 6.0910 6.9964 6.9964 6.9967 6.9967 7.5514 7.5514 7.5515 7.5515 8.2689 8.2689 8.2693 8.2693 9.9266 9.9266 9.9273 9.9273 10.1953 10.1953 10.1962 10.1962 10.6714 10.6714 10.6724 10.6724 12.2781 12.2781 12.2785 12.2785 13.4824 13.4824 13.4828 13.4828 k = 0.0000 0.0741 0.3121 ( 2918 PWs) bands (ev): -4.8809 -4.8809 -4.8807 -4.8807 -1.0237 -1.0237 -1.0236 -1.0236 3.9126 3.9126 3.9128 3.9128 6.0556 6.0556 6.0558 6.0558 7.0175 7.0175 7.0178 7.0178 7.5584 7.5584 7.5585 7.5585 8.2322 8.2322 8.2326 8.2326 9.9353 9.9353 9.9360 9.9360 10.1964 10.1964 10.1973 10.1973 10.6763 10.6763 10.6773 10.6773 12.2557 12.2557 12.2561 12.2561 13.4692 13.4692 13.4696 13.4696 k = 0.0000 0.0635 0.3121 ( 2910 PWs) bands (ev): -4.8937 -4.8937 -4.8935 -4.8935 -0.9863 -0.9863 -0.9862 -0.9862 3.8984 3.8984 3.8986 3.8986 6.0229 6.0229 6.0231 6.0231 7.0372 7.0372 7.0375 7.0375 7.5664 7.5664 7.5665 7.5665 8.1992 8.1992 8.1996 8.1996 9.9428 9.9428 9.9435 9.9435 10.1980 10.1980 10.1989 10.1989 10.6805 10.6805 10.6814 10.6814 12.2347 12.2347 12.2352 12.2352 13.4580 13.4580 13.4584 13.4584 k = 0.0000 0.0529 0.3121 ( 2914 PWs) bands (ev): -4.9045 -4.9045 -4.9044 -4.9044 -0.9541 -0.9541 -0.9540 -0.9540 3.8863 3.8863 3.8865 3.8865 5.9937 5.9937 5.9939 5.9939 7.0549 7.0549 7.0552 7.0552 7.5744 7.5744 7.5746 7.5746 8.1701 8.1701 8.1705 8.1705 9.9489 9.9489 9.9497 9.9497 10.1999 10.1999 10.2008 10.2008 10.6839 10.6839 10.6849 10.6849 12.2158 12.2158 12.2163 12.2163 13.4487 13.4487 13.4491 13.4491 k = 0.0000 0.0423 0.3121 ( 2916 PWs) bands (ev): -4.9135 -4.9135 -4.9133 -4.9133 -0.9272 -0.9272 -0.9271 -0.9271 3.8762 3.8762 3.8764 3.8764 5.9687 5.9687 5.9689 5.9689 7.0702 7.0702 7.0705 7.0705 7.5819 7.5819 7.5820 7.5820 8.1455 8.1455 8.1459 8.1459 9.9539 9.9539 9.9546 9.9546 10.2019 10.2019 10.2027 10.2027 10.6866 10.6866 10.6876 10.6876 12.1995 12.1995 12.2000 12.2000 13.4412 13.4412 13.4417 13.4417 k = 0.0000 0.0317 0.3121 ( 2920 PWs) bands (ev): -4.9204 -4.9204 -4.9202 -4.9202 -0.9061 -0.9061 -0.9060 -0.9060 3.8683 3.8683 3.8685 3.8685 5.9486 5.9486 5.9488 5.9488 7.0827 7.0827 7.0830 7.0830 7.5882 7.5882 7.5884 7.5884 8.1257 8.1257 8.1261 8.1261 9.9576 9.9576 9.9584 9.9584 10.2037 10.2037 10.2045 10.2045 10.6887 10.6887 10.6897 10.6897 12.1862 12.1862 12.1868 12.1868 13.4355 13.4355 13.4360 13.4360 k = 0.0000 0.0212 0.3121 ( 2916 PWs) bands (ev): -4.9254 -4.9254 -4.9252 -4.9252 -0.8908 -0.8908 -0.8907 -0.8907 3.8626 3.8626 3.8629 3.8629 5.9339 5.9339 5.9342 5.9342 7.0919 7.0919 7.0922 7.0922 7.5930 7.5930 7.5932 7.5932 8.1113 8.1113 8.1117 8.1117 9.9603 9.9603 9.9610 9.9610 10.2052 10.2052 10.2061 10.2061 10.6902 10.6902 10.6912 10.6912 12.1765 12.1765 12.1771 12.1771 13.4314 13.4314 13.4319 13.4319 k = 0.0000 0.0106 0.3121 ( 2914 PWs) bands (ev): -4.9284 -4.9284 -4.9282 -4.9282 -0.8815 -0.8815 -0.8815 -0.8815 3.8592 3.8592 3.8594 3.8594 5.9250 5.9250 5.9252 5.9252 7.0976 7.0976 7.0979 7.0979 7.5960 7.5960 7.5962 7.5962 8.1025 8.1025 8.1029 8.1029 9.9619 9.9619 9.9626 9.9626 10.2062 10.2062 10.2071 10.2071 10.6911 10.6911 10.6921 10.6921 12.1705 12.1705 12.1711 12.1711 13.4290 13.4290 13.4295 13.4295 k = 0.0000 0.0000 0.3121 ( 2910 PWs) bands (ev): -4.9294 -4.9294 -4.9292 -4.9292 -0.8785 -0.8785 -0.8784 -0.8784 3.8580 3.8580 3.8583 3.8583 5.9220 5.9220 5.9222 5.9222 7.0996 7.0996 7.0999 7.0999 7.5971 7.5971 7.5972 7.5972 8.0995 8.0995 8.0999 8.0999 9.9624 9.9624 9.9631 9.9631 10.2066 10.2066 10.2074 10.2074 10.6914 10.6914 10.6924 10.6924 12.1685 12.1685 12.1691 12.1691 13.4282 13.4282 13.4288 13.4288 k = 0.0000 0.3810-0.0000 ( 2910 PWs) bands (ev): -4.4538 -4.4538 -4.4538 -4.4538 -1.8764 -1.8764 -1.8762 -1.8762 3.3269 3.3269 3.3270 3.3270 6.6136 6.6136 6.6141 6.6141 7.2098 7.2098 7.2102 7.2102 8.1029 8.1029 8.1031 8.1031 9.0180 9.0180 9.0184 9.0184 9.8206 9.8206 9.8213 9.8213 10.3626 10.3626 10.3636 10.3636 10.9295 10.9295 10.9302 10.9302 12.7489 12.7489 12.7496 12.7496 13.0036 13.0036 13.0039 13.0039 k = 0.0000 0.3810 0.0108 ( 2902 PWs) bands (ev): -4.4531 -4.4531 -4.4530 -4.4530 -1.8783 -1.8783 -1.8781 -1.8781 3.3299 3.3299 3.3300 3.3300 6.6135 6.6135 6.6140 6.6140 7.2042 7.2042 7.2046 7.2046 8.1087 8.1087 8.1090 8.1090 9.0191 9.0191 9.0194 9.0194 9.8189 9.8189 9.8196 9.8196 10.3618 10.3618 10.3629 10.3629 10.9277 10.9277 10.9284 10.9284 12.7495 12.7495 12.7502 12.7502 13.0033 13.0033 13.0036 13.0036 k = 0.0000 0.3810 0.0215 ( 2890 PWs) bands (ev): -4.4509 -4.4509 -4.4508 -4.4508 -1.8840 -1.8840 -1.8838 -1.8838 3.3388 3.3388 3.3388 3.3388 6.6130 6.6130 6.6135 6.6135 7.1878 7.1878 7.1882 7.1882 8.1258 8.1258 8.1260 8.1260 9.0223 9.0223 9.0227 9.0227 9.8136 9.8136 9.8143 9.8143 10.3594 10.3594 10.3604 10.3604 10.9223 10.9223 10.9230 10.9230 12.7513 12.7513 12.7520 12.7520 13.0022 13.0022 13.0025 13.0025 k = 0.0000 0.3810 0.0323 ( 2892 PWs) bands (ev): -4.4472 -4.4472 -4.4471 -4.4471 -1.8934 -1.8934 -1.8932 -1.8932 3.3535 3.3535 3.3535 3.3535 6.6122 6.6122 6.6127 6.6127 7.1616 7.1616 7.1620 7.1620 8.1528 8.1528 8.1530 8.1530 9.0276 9.0276 9.0279 9.0279 9.8048 9.8048 9.8055 9.8055 10.3553 10.3553 10.3564 10.3564 10.9133 10.9133 10.9139 10.9139 12.7542 12.7542 12.7549 12.7549 13.0000 13.0000 13.0003 13.0003 k = 0.0000 0.3810 0.0431 ( 2900 PWs) bands (ev): -4.4421 -4.4421 -4.4420 -4.4420 -1.9065 -1.9065 -1.9063 -1.9063 3.3738 3.3738 3.3739 3.3739 6.6111 6.6111 6.6116 6.6116 7.1271 7.1271 7.1274 7.1274 8.1885 8.1885 8.1887 8.1887 9.0349 9.0349 9.0353 9.0353 9.7926 9.7926 9.7933 9.7933 10.3498 10.3498 10.3508 10.3508 10.9008 10.9008 10.9014 10.9014 12.7581 12.7581 12.7588 12.7588 12.9962 12.9962 12.9965 12.9965 k = 0.0000 0.3810 0.0538 ( 2896 PWs) bands (ev): -4.4355 -4.4355 -4.4355 -4.4355 -1.9229 -1.9229 -1.9227 -1.9227 3.3998 3.3998 3.3998 3.3998 6.6097 6.6097 6.6102 6.6102 7.0858 7.0858 7.0861 7.0861 8.2313 8.2313 8.2315 8.2315 9.0444 9.0444 9.0447 9.0447 9.7771 9.7771 9.7778 9.7778 10.3430 10.3430 10.3440 10.3440 10.8849 10.8849 10.8856 10.8856 12.7631 12.7631 12.7638 12.7638 12.9903 12.9903 12.9906 12.9906 k = 0.0000 0.3810 0.0646 ( 2898 PWs) bands (ev): -4.4276 -4.4276 -4.4275 -4.4275 -1.9426 -1.9426 -1.9425 -1.9425 3.4311 3.4311 3.4311 3.4311 6.6081 6.6081 6.6086 6.6086 7.0390 7.0390 7.0393 7.0393 8.2798 8.2798 8.2800 8.2800 9.0558 9.0558 9.0562 9.0562 9.7586 9.7586 9.7593 9.7593 10.3351 10.3351 10.3361 10.3361 10.8659 10.8659 10.8665 10.8665 12.7689 12.7689 12.7696 12.7696 12.9817 12.9817 12.9820 12.9820 k = 0.0000 0.3810 0.0753 ( 2898 PWs) bands (ev): -4.4184 -4.4184 -4.4183 -4.4183 -1.9654 -1.9654 -1.9652 -1.9652 3.4675 3.4675 3.4675 3.4675 6.6062 6.6062 6.6067 6.6067 6.9878 6.9878 6.9881 6.9881 8.3328 8.3328 8.3330 8.3330 9.0693 9.0693 9.0696 9.0696 9.7372 9.7372 9.7379 9.7379 10.3262 10.3262 10.3272 10.3272 10.8439 10.8439 10.8445 10.8445 12.7755 12.7755 12.7762 12.7762 12.9697 12.9697 12.9701 12.9701 k = 0.0000 0.3810 0.0861 ( 2894 PWs) bands (ev): -4.4078 -4.4078 -4.4078 -4.4078 -1.9909 -1.9909 -1.9907 -1.9907 3.5087 3.5087 3.5088 3.5088 6.6041 6.6041 6.6046 6.6046 6.9330 6.9330 6.9333 6.9333 8.3894 8.3894 8.3896 8.3896 9.0847 9.0847 9.0850 9.0850 9.7133 9.7133 9.7140 9.7140 10.3165 10.3165 10.3175 10.3175 10.8190 10.8190 10.8196 10.8196 12.7828 12.7828 12.7834 12.7834 12.9542 12.9542 12.9546 12.9546 k = 0.0000 0.3810 0.0969 ( 2892 PWs) bands (ev): -4.3961 -4.3961 -4.3960 -4.3960 -2.0188 -2.0188 -2.0187 -2.0187 3.5545 3.5545 3.5546 3.5546 6.6018 6.6018 6.6022 6.6022 6.8754 6.8754 6.8757 6.8757 8.4488 8.4488 8.4489 8.4489 9.1019 9.1019 9.1023 9.1023 9.6872 9.6872 9.6879 9.6879 10.3060 10.3060 10.3070 10.3070 10.7915 10.7915 10.7921 10.7921 12.7904 12.7904 12.7911 12.7911 12.9349 12.9349 12.9353 12.9353 k = 0.0000 0.3810 0.1076 ( 2888 PWs) bands (ev): -4.3832 -4.3832 -4.3832 -4.3832 -2.0490 -2.0490 -2.0488 -2.0488 3.6046 3.6046 3.6046 3.6046 6.5993 6.5993 6.5998 6.5998 6.8155 6.8155 6.8157 6.8157 8.5103 8.5103 8.5104 8.5104 9.1210 9.1210 9.1213 9.1213 9.6593 9.6593 9.6600 9.6600 10.2949 10.2949 10.2959 10.2959 10.7617 10.7617 10.7622 10.7622 12.7984 12.7984 12.7990 12.7990 12.9119 12.9119 12.9123 12.9123 k = 0.0000 0.3810 0.1184 ( 2888 PWs) bands (ev): -4.3693 -4.3693 -4.3693 -4.3693 -2.0809 -2.0809 -2.0807 -2.0807 3.6585 3.6585 3.6586 3.6586 6.5967 6.5967 6.5971 6.5971 6.7536 6.7536 6.7538 6.7538 8.5735 8.5735 8.5735 8.5735 9.1418 9.1418 9.1421 9.1421 9.6300 9.6300 9.6307 9.6307 10.2831 10.2831 10.2841 10.2841 10.7296 10.7296 10.7302 10.7302 12.8062 12.8062 12.8068 12.8068 12.8856 12.8856 12.8861 12.8861 k = 0.0000 0.3810 0.1292 ( 2894 PWs) bands (ev): -4.3545 -4.3545 -4.3544 -4.3544 -2.1143 -2.1143 -2.1142 -2.1142 3.7160 3.7160 3.7161 3.7161 6.5939 6.5939 6.5943 6.5943 6.6901 6.6901 6.6903 6.6903 8.6378 8.6378 8.6378 8.6378 9.1642 9.1642 9.1645 9.1645 9.5998 9.5998 9.6004 9.6004 10.2706 10.2706 10.2715 10.2715 10.6957 10.6957 10.6963 10.6963 12.8127 12.8127 12.8132 12.8132 12.8576 12.8576 12.8580 12.8580 k = 0.0000 0.3810 0.1399 ( 2890 PWs) bands (ev): -4.3389 -4.3389 -4.3388 -4.3388 -2.1489 -2.1489 -2.1487 -2.1487 3.7767 3.7767 3.7767 3.7767 6.5907 6.5907 6.5912 6.5912 6.6256 6.6256 6.6258 6.6258 8.7028 8.7028 8.7029 8.7029 9.1882 9.1882 9.1884 9.1884 9.5692 9.5692 9.5699 9.5699 10.2573 10.2573 10.2583 10.2583 10.6601 10.6601 10.6607 10.6607 12.8087 12.8087 12.8088 12.8088 12.8375 12.8375 12.8377 12.8377 k = 0.0000 0.3810 0.1507 ( 2890 PWs) bands (ev): -4.3225 -4.3225 -4.3224 -4.3224 -2.1842 -2.1842 -2.1841 -2.1841 3.8401 3.8401 3.8402 3.8402 6.5582 6.5582 6.5584 6.5584 6.5892 6.5892 6.5897 6.5897 8.7682 8.7682 8.7682 8.7682 9.2135 9.2135 9.2138 9.2138 9.5388 9.5388 9.5394 9.5394 10.2431 10.2431 10.2441 10.2441 10.6231 10.6231 10.6237 10.6237 12.7803 12.7803 12.7808 12.7808 12.8387 12.8387 12.8393 12.8393 k = 0.0000 0.3810 0.1614 ( 2890 PWs) bands (ev): -4.3057 -4.3057 -4.3056 -4.3056 -2.2200 -2.2200 -2.2198 -2.2198 3.9059 3.9059 3.9060 3.9060 6.4916 6.4916 6.4919 6.4919 6.5859 6.5859 6.5864 6.5864 8.8334 8.8334 8.8335 8.8335 9.2402 9.2402 9.2404 9.2404 9.5091 9.5091 9.5097 9.5097 10.2280 10.2280 10.2289 10.2289 10.5850 10.5850 10.5855 10.5855 12.7446 12.7446 12.7452 12.7452 12.8457 12.8457 12.8463 12.8463 k = 0.0000 0.3810 0.1722 ( 2890 PWs) bands (ev): -4.2884 -4.2884 -4.2883 -4.2883 -2.2557 -2.2557 -2.2555 -2.2555 3.9736 3.9736 3.9737 3.9737 6.4240 6.4240 6.4242 6.4242 6.5831 6.5831 6.5835 6.5835 8.8980 8.8980 8.8980 8.8980 9.2680 9.2680 9.2682 9.2682 9.4808 9.4808 9.4814 9.4814 10.2118 10.2118 10.2127 10.2127 10.5460 10.5460 10.5465 10.5465 12.7069 12.7069 12.7076 12.7076 12.8534 12.8534 12.8540 12.8540 k = 0.0000 0.3810 0.1830 ( 2892 PWs) bands (ev): -4.2710 -4.2710 -4.2709 -4.2709 -2.2911 -2.2911 -2.2909 -2.2909 4.0428 4.0428 4.0429 4.0429 6.3559 6.3559 6.3561 6.3561 6.5803 6.5803 6.5808 6.5808 8.9611 8.9611 8.9612 8.9612 9.2966 9.2966 9.2968 9.2968 9.4548 9.4548 9.4554 9.4554 10.1943 10.1943 10.1951 10.1951 10.5064 10.5064 10.5069 10.5069 12.6684 12.6684 12.6691 12.6691 12.8611 12.8611 12.8617 12.8617 k = 0.0000 0.3810 0.1937 ( 2888 PWs) bands (ev): -4.2536 -4.2536 -4.2535 -4.2535 -2.3257 -2.3257 -2.3255 -2.3255 4.1130 4.1130 4.1131 4.1131 6.2877 6.2877 6.2878 6.2878 6.5777 6.5777 6.5782 6.5782 9.0218 9.0218 9.0219 9.0219 9.3257 9.3257 9.3259 9.3259 9.4324 9.4324 9.4330 9.4330 10.1754 10.1754 10.1763 10.1763 10.4666 10.4666 10.4671 10.4671 12.6299 12.6299 12.6306 12.6306 12.8686 12.8686 12.8691 12.8691 k = 0.0000 0.3810 0.2045 ( 2884 PWs) bands (ev): -4.2365 -4.2365 -4.2364 -4.2364 -2.3592 -2.3592 -2.3590 -2.3590 4.1835 4.1835 4.1836 4.1836 6.2196 6.2196 6.2198 6.2198 6.5752 6.5752 6.5757 6.5757 9.0784 9.0784 9.0786 9.0786 9.3541 9.3541 9.3543 9.3543 9.4161 9.4161 9.4166 9.4166 10.1551 10.1551 10.1559 10.1559 10.4267 10.4267 10.4273 10.4273 12.5921 12.5921 12.5928 12.5928 12.8756 12.8756 12.8761 12.8761 k = 0.0000 0.3810 0.2153 ( 2876 PWs) bands (ev): -4.2198 -4.2198 -4.2197 -4.2197 -2.3911 -2.3911 -2.3908 -2.3908 4.2537 4.2537 4.2538 4.2538 6.1522 6.1522 6.1524 6.1524 6.5729 6.5729 6.5733 6.5733 9.1284 9.1284 9.1287 9.1287 9.3772 9.3772 9.3775 9.3775 9.4129 9.4129 9.4132 9.4132 10.1331 10.1331 10.1340 10.1340 10.3874 10.3874 10.3879 10.3879 12.5556 12.5556 12.5564 12.5564 12.8821 12.8821 12.8827 12.8827 k = 0.0000 0.3810 0.2260 ( 2880 PWs) bands (ev): -4.2039 -4.2039 -4.2038 -4.2038 -2.4210 -2.4210 -2.4208 -2.4208 4.3229 4.3229 4.3230 4.3230 6.0861 6.0861 6.0863 6.0863 6.5707 6.5707 6.5711 6.5711 9.1675 9.1675 9.1680 9.1680 9.3898 9.3898 9.3901 9.3901 9.4315 9.4315 9.4317 9.4317 10.1095 10.1095 10.1103 10.1103 10.3488 10.3488 10.3494 10.3494 12.5211 12.5211 12.5218 12.5218 12.8881 12.8881 12.8887 12.8887 k = 0.0000 0.3810 0.2368 ( 2882 PWs) bands (ev): -4.1890 -4.1890 -4.1888 -4.1888 -2.4486 -2.4486 -2.4484 -2.4484 4.3901 4.3901 4.3902 4.3902 6.0220 6.0220 6.0221 6.0221 6.5687 6.5687 6.5691 6.5691 9.1921 9.1921 9.1927 9.1927 9.4065 9.4065 9.4066 9.4066 9.4604 9.4604 9.4606 9.4606 10.0842 10.0842 10.0850 10.0850 10.3116 10.3116 10.3122 10.3122 12.4891 12.4891 12.4898 12.4898 12.8935 12.8935 12.8940 12.8940 k = 0.0000 0.3810 0.2476 ( 2888 PWs) bands (ev): -4.1753 -4.1753 -4.1752 -4.1752 -2.4735 -2.4735 -2.4732 -2.4732 4.4542 4.4542 4.4544 4.4544 5.9609 5.9609 5.9610 5.9610 6.5669 6.5669 6.5674 6.5674 9.2026 9.2026 9.2033 9.2033 9.4334 9.4334 9.4336 9.4336 9.4921 9.4921 9.4923 9.4923 10.0574 10.0574 10.0581 10.0581 10.2763 10.2763 10.2770 10.2770 12.4600 12.4600 12.4608 12.4608 12.8982 12.8982 12.8987 12.8987 k = 0.0000 0.3810 0.2583 ( 2884 PWs) bands (ev): -4.1632 -4.1632 -4.1630 -4.1630 -2.4952 -2.4952 -2.4950 -2.4950 4.5138 4.5138 4.5140 4.5140 5.9040 5.9040 5.9041 5.9041 6.5655 6.5655 6.5659 6.5659 9.2038 9.2038 9.2046 9.2046 9.4658 9.4658 9.4659 9.4659 9.5255 9.5255 9.5257 9.5257 10.0294 10.0294 10.0301 10.0301 10.2439 10.2439 10.2445 10.2445 12.4346 12.4346 12.4354 12.4354 12.9023 12.9023 12.9028 12.9028 k = 0.0000 0.3810 0.2691 ( 2888 PWs) bands (ev): -4.1528 -4.1528 -4.1527 -4.1527 -2.5136 -2.5136 -2.5133 -2.5133 4.5672 4.5672 4.5674 4.5674 5.8530 5.8530 5.8531 5.8531 6.5642 6.5642 6.5646 6.5646 9.2007 9.2007 9.2015 9.2015 9.4971 9.4971 9.4972 9.4972 9.5604 9.5604 9.5605 9.5605 10.0008 10.0008 10.0015 10.0015 10.2150 10.2150 10.2157 10.2157 12.4131 12.4131 12.4138 12.4138 12.9056 12.9056 12.9062 12.9062 k = 0.0000 0.3810 0.2798 ( 2884 PWs) bands (ev): -4.1445 -4.1445 -4.1444 -4.1444 -2.5282 -2.5282 -2.5279 -2.5279 4.6124 4.6124 4.6126 4.6126 5.8098 5.8098 5.8099 5.8099 6.5632 6.5632 6.5636 6.5636 9.1963 9.1963 9.1972 9.1972 9.5232 9.5232 9.5233 9.5233 9.5952 9.5952 9.5954 9.5954 9.9729 9.9729 9.9737 9.9737 10.1907 10.1907 10.1915 10.1915 12.3960 12.3960 12.3968 12.3968 12.9083 12.9083 12.9088 12.9088 k = 0.0000 0.3810 0.2906 ( 2884 PWs) bands (ev): -4.1385 -4.1385 -4.1383 -4.1383 -2.5388 -2.5388 -2.5385 -2.5385 4.6470 4.6470 4.6472 4.6472 5.7766 5.7766 5.7767 5.7767 6.5625 6.5625 6.5630 6.5630 9.1924 9.1924 9.1933 9.1933 9.5425 9.5425 9.5427 9.5427 9.6266 9.6266 9.6267 9.6267 9.9479 9.9479 9.9487 9.9487 10.1723 10.1723 10.1731 10.1731 12.3836 12.3836 12.3844 12.3844 12.9102 12.9102 12.9107 12.9107 k = 0.0000 0.3810 0.3014 ( 2880 PWs) bands (ev): -4.1347 -4.1347 -4.1346 -4.1346 -2.5452 -2.5452 -2.5450 -2.5450 4.6689 4.6689 4.6691 4.6691 5.7556 5.7556 5.7557 5.7557 6.5621 6.5621 6.5625 6.5625 9.1898 9.1898 9.1906 9.1906 9.5543 9.5543 9.5545 9.5545 9.6493 9.6493 9.6494 9.6494 9.9297 9.9297 9.9305 9.9305 10.1607 10.1607 10.1615 10.1615 12.3760 12.3760 12.3768 12.3768 12.9113 12.9113 12.9118 12.9118 k = 0.0000 0.3810 0.3121 ( 2880 PWs) bands (ev): -4.1335 -4.1335 -4.1333 -4.1333 -2.5474 -2.5474 -2.5472 -2.5472 4.6764 4.6764 4.6766 4.6766 5.7484 5.7484 5.7485 5.7485 6.5619 6.5619 6.5624 6.5624 9.1888 9.1888 9.1897 9.1897 9.5583 9.5583 9.5585 9.5585 9.6577 9.6577 9.6579 9.6579 9.9228 9.9228 9.9236 9.9236 10.1568 10.1568 10.1576 10.1576 12.3735 12.3735 12.3742 12.3742 12.9117 12.9117 12.9122 12.9122 k = 0.5000-0.0000 0.3121 ( 2916 PWs) bands (ev): -4.0237 -4.0237 -4.0221 -4.0221 -1.1423 -1.1423 -1.1410 -1.1410 3.7758 3.7758 3.7859 3.7859 5.2297 5.2297 5.2398 5.2398 6.5139 6.5139 6.5284 6.5284 7.3330 7.3330 7.3444 7.3444 8.2405 8.2405 8.2517 8.2517 9.2397 9.2397 9.2694 9.2694 9.6116 9.6116 9.6472 9.6472 10.6499 10.6499 10.6697 10.6697 11.8660 11.8660 11.9043 11.9043 13.1381 13.1381 13.1585 13.1585 k = 0.5000-0.0000 0.3014 ( 2916 PWs) bands (ev): -4.0242 -4.0242 -4.0226 -4.0226 -1.1413 -1.1413 -1.1401 -1.1401 3.7764 3.7764 3.7865 3.7865 5.2294 5.2294 5.2395 5.2395 6.5132 6.5132 6.5277 6.5277 7.3349 7.3349 7.3462 7.3462 8.2323 8.2323 8.2433 8.2433 9.2410 9.2410 9.2708 9.2708 9.6166 9.6166 9.6521 9.6521 10.6498 10.6498 10.6696 10.6696 11.8675 11.8675 11.9056 11.9056 13.1375 13.1375 13.1579 13.1579 k = 0.5000-0.0000 0.2906 ( 2912 PWs) bands (ev): -4.0255 -4.0255 -4.0239 -4.0239 -1.1384 -1.1384 -1.1372 -1.1372 3.7784 3.7784 3.7885 3.7885 5.2283 5.2283 5.2386 5.2386 6.5109 6.5109 6.5256 6.5256 7.3404 7.3404 7.3515 7.3515 8.2082 8.2082 8.2187 8.2187 9.2448 9.2448 9.2748 9.2748 9.6313 9.6313 9.6663 9.6663 10.6497 10.6497 10.6694 10.6694 11.8717 11.8717 11.9096 11.9096 13.1356 13.1356 13.1560 13.1560 k = 0.5000-0.0000 0.2798 ( 2910 PWs) bands (ev): -4.0277 -4.0277 -4.0262 -4.0262 -1.1335 -1.1335 -1.1323 -1.1323 3.7817 3.7817 3.7916 3.7916 5.2267 5.2267 5.2371 5.2371 6.5072 6.5072 6.5222 6.5222 7.3492 7.3492 7.3602 7.3602 8.1698 8.1698 8.1795 8.1795 9.2510 9.2510 9.2811 9.2811 9.6543 9.6543 9.6887 9.6887 10.6495 10.6495 10.6692 10.6692 11.8786 11.8786 11.9161 11.9161 13.1324 13.1324 13.1527 13.1527 k = 0.5000-0.0000 0.2691 ( 2906 PWs) bands (ev): -4.0308 -4.0308 -4.0293 -4.0293 -1.1269 -1.1269 -1.1257 -1.1257 3.7863 3.7863 3.7960 3.7960 5.2244 5.2244 5.2351 5.2351 6.5021 6.5021 6.5175 6.5175 7.3610 7.3610 7.3716 7.3716 8.1194 8.1194 8.1283 8.1283 9.2591 9.2591 9.2894 9.2894 9.6841 9.6841 9.7178 9.7178 10.6492 10.6492 10.6689 10.6689 11.8883 11.8883 11.9251 11.9251 13.1279 13.1279 13.1482 13.1482 k = 0.5000-0.0000 0.2583 ( 2898 PWs) bands (ev): -4.0347 -4.0347 -4.0332 -4.0332 -1.1184 -1.1184 -1.1173 -1.1173 3.7922 3.7922 3.8017 3.8017 5.2218 5.2218 5.2328 5.2328 6.4958 6.4958 6.5116 6.5116 7.3749 7.3749 7.3852 7.3852 8.0597 8.0597 8.0677 8.0677 9.2690 9.2690 9.2995 9.2995 9.7188 9.7188 9.7515 9.7515 10.6489 10.6489 10.6684 10.6684 11.9005 11.9005 11.9366 11.9366 13.1220 13.1220 13.1424 13.1424 k = 0.5000-0.0000 0.2476 ( 2902 PWs) bands (ev): -4.0393 -4.0393 -4.0378 -4.0378 -1.1083 -1.1083 -1.1072 -1.1072 3.7993 3.7993 3.8085 3.8085 5.2188 5.2188 5.2302 5.2302 6.4881 6.4881 6.5044 6.5044 7.3897 7.3897 7.3997 7.3997 7.9938 7.9938 8.0009 8.0009 9.2805 9.2805 9.3110 9.3110 9.7563 9.7563 9.7881 9.7881 10.6484 10.6484 10.6678 10.6678 11.9152 11.9152 11.9503 11.9503 13.1149 13.1149 13.1352 13.1352 k = 0.5000-0.0000 0.2368 ( 2892 PWs) bands (ev): -4.0446 -4.0446 -4.0432 -4.0432 -1.0967 -1.0967 -1.0956 -1.0956 3.8076 3.8076 3.8166 3.8166 5.2157 5.2157 5.2275 5.2275 6.4794 6.4794 6.4962 6.4962 7.4037 7.4037 7.4133 7.4133 7.9251 7.9251 7.9313 7.9313 9.2934 9.2934 9.3240 9.3240 9.7953 9.7953 9.8260 9.8260 10.6479 10.6479 10.6672 10.6672 11.9323 11.9323 11.9663 11.9663 13.1063 13.1063 13.1267 13.1267 k = 0.5000-0.0000 0.2260 ( 2888 PWs) bands (ev): -4.0506 -4.0506 -4.0491 -4.0491 -1.0837 -1.0837 -1.0826 -1.0826 3.8172 3.8172 3.8257 3.8257 5.2126 5.2126 5.2250 5.2250 6.4695 6.4695 6.4869 6.4869 7.4136 7.4136 7.4227 7.4227 7.8583 7.8583 7.8637 7.8637 9.3077 9.3077 9.3382 9.3382 9.8342 9.8342 9.8638 9.8638 10.6473 10.6473 10.6663 10.6663 11.9514 11.9514 11.9842 11.9842 13.0964 13.0964 13.1169 13.1169 k = 0.5000-0.0000 0.2153 ( 2884 PWs) bands (ev): -4.0570 -4.0570 -4.0556 -4.0556 -1.0695 -1.0695 -1.0684 -1.0684 3.8278 3.8278 3.8360 3.8360 5.2098 5.2098 5.2228 5.2228 6.4584 6.4584 6.4765 6.4765 7.4141 7.4141 7.4228 7.4228 7.7997 7.7997 7.8044 7.8044 9.3232 9.3232 9.3537 9.3537 9.8719 9.8719 9.9005 9.9005 10.6466 10.6466 10.6654 10.6654 11.9725 11.9725 12.0040 12.0040 13.0852 13.0852 13.1057 13.1057 k = 0.5000-0.0000 0.2045 ( 2888 PWs) bands (ev): -4.0639 -4.0639 -4.0625 -4.0625 -1.0542 -1.0542 -1.0532 -1.0532 3.8395 3.8395 3.8473 3.8473 5.2075 5.2075 5.2210 5.2210 6.4460 6.4460 6.4648 6.4648 7.3981 7.3981 7.4062 7.4062 7.7576 7.7576 7.7617 7.7617 9.3400 9.3400 9.3703 9.3703 9.9077 9.9077 9.9352 9.9352 10.6458 10.6458 10.6643 10.6643 11.9953 11.9953 12.0253 12.0253 13.0724 13.0724 13.0930 13.0930 k = 0.5000-0.0000 0.1937 ( 2898 PWs) bands (ev): -4.0711 -4.0711 -4.0698 -4.0698 -1.0380 -1.0380 -1.0371 -1.0371 3.8522 3.8522 3.8595 3.8595 5.2059 5.2059 5.2201 5.2201 6.4322 6.4322 6.4516 6.4516 7.3605 7.3605 7.3678 7.3678 7.7378 7.7378 7.7417 7.7417 9.3577 9.3577 9.3878 9.3878 9.9409 9.9409 9.9674 9.9674 10.6449 10.6449 10.6631 10.6631 12.0196 12.0196 12.0481 12.0481 13.0583 13.0583 13.0790 13.0790 k = 0.5000-0.0000 0.1830 ( 2900 PWs) bands (ev): -4.0785 -4.0785 -4.0773 -4.0773 -1.0212 -1.0212 -1.0203 -1.0203 3.8657 3.8657 3.8725 3.8725 5.2054 5.2054 5.2202 5.2202 6.4167 6.4167 6.4368 6.4368 7.3037 7.3037 7.3100 7.3100 7.7388 7.7388 7.7425 7.7425 9.3765 9.3765 9.4064 9.4064 9.9712 9.9712 9.9966 9.9966 10.6440 10.6440 10.6618 10.6618 12.0452 12.0452 12.0721 12.0721 13.0427 13.0427 13.0635 13.0635 k = 0.5000-0.0000 0.1722 ( 2900 PWs) bands (ev): -4.0862 -4.0862 -4.0850 -4.0850 -1.0039 -1.0039 -1.0030 -1.0030 3.8800 3.8800 3.8863 3.8863 5.2061 5.2061 5.2216 5.2216 6.3991 6.3991 6.4199 6.4199 7.2348 7.2348 7.2401 7.2401 7.7543 7.7543 7.7579 7.7579 9.3962 9.3962 9.4257 9.4257 9.9984 9.9984 10.0228 10.0228 10.6431 10.6431 10.6604 10.6604 12.0718 12.0718 12.0971 12.0971 13.0257 13.0257 13.0467 13.0467 k = 0.5000-0.0000 0.1614 ( 2900 PWs) bands (ev): -4.0939 -4.0939 -4.0928 -4.0928 -0.9863 -0.9863 -0.9855 -0.9855 3.8950 3.8950 3.9007 3.9007 5.2083 5.2083 5.2246 5.2246 6.3788 6.3788 6.4004 6.4004 7.1605 7.1605 7.1648 7.1648 7.7785 7.7785 7.7819 7.7819 9.4165 9.4165 9.4456 9.4456 10.0224 10.0224 10.0457 10.0457 10.6421 10.6421 10.6588 10.6588 12.0993 12.0993 12.1229 12.1229 13.0074 13.0074 13.0285 13.0285 k = 0.5000-0.0000 0.1507 ( 2906 PWs) bands (ev): -4.1015 -4.1015 -4.1005 -4.1005 -0.9686 -0.9686 -0.9678 -0.9678 3.9104 3.9104 3.9156 3.9156 5.2124 5.2124 5.2294 5.2294 6.3552 6.3552 6.3775 6.3775 7.0852 7.0852 7.0887 7.0887 7.8077 7.8077 7.8109 7.8109 9.4374 9.4374 9.4658 9.4658 10.0430 10.0430 10.0653 10.0653 10.6411 10.6411 10.6572 10.6572 12.1273 12.1273 12.1494 12.1494 12.9876 12.9876 13.0089 13.0089 k = 0.5000-0.0000 0.1399 ( 2902 PWs) bands (ev): -4.1091 -4.1091 -4.1081 -4.1081 -0.9510 -0.9510 -0.9503 -0.9503 3.9262 3.9262 3.9308 3.9308 5.2186 5.2186 5.2363 5.2363 6.3274 6.3274 6.3505 6.3505 7.0123 7.0123 7.0150 7.0150 7.8396 7.8396 7.8425 7.8425 9.4586 9.4586 9.4864 9.4864 10.0605 10.0605 10.0818 10.0818 10.6400 10.6400 10.6555 10.6555 12.1558 12.1558 12.1764 12.1764 12.9666 12.9666 12.9880 12.9880 k = 0.5000-0.0000 0.1292 ( 2898 PWs) bands (ev): -4.1165 -4.1165 -4.1155 -4.1155 -0.9339 -0.9339 -0.9332 -0.9332 3.9420 3.9420 3.9461 3.9461 5.2273 5.2273 5.2457 5.2457 6.2946 6.2946 6.3185 6.3185 6.9442 6.9442 6.9460 6.9460 7.8727 7.8727 7.8754 7.8754 9.4800 9.4800 9.5069 9.5069 10.0751 10.0751 10.0953 10.0953 10.6390 10.6390 10.6537 10.6537 12.1846 12.1846 12.2038 12.2038 12.9442 12.9442 12.9658 12.9658 k = 0.5000-0.0000 0.1184 ( 2900 PWs) bands (ev): -4.1235 -4.1235 -4.1227 -4.1227 -0.9172 -0.9172 -0.9166 -0.9166 3.9578 3.9578 3.9613 3.9613 5.2387 5.2387 5.2578 5.2578 6.2561 6.2561 6.2805 6.2805 6.8825 6.8825 6.8837 6.8837 7.9061 7.9061 7.9085 7.9085 9.5013 9.5013 9.5273 9.5273 10.0868 10.0868 10.1059 10.1059 10.6380 10.6380 10.6518 10.6518 12.2135 12.2135 12.2313 12.2313 12.9207 12.9207 12.9423 12.9423 k = 0.5000-0.0000 0.1076 ( 2900 PWs) bands (ev): -4.1303 -4.1303 -4.1295 -4.1295 -0.9013 -0.9013 -0.9007 -0.9007 3.9733 3.9733 3.9762 3.9762 5.2531 5.2531 5.2728 5.2728 6.2114 6.2114 6.2363 6.2363 6.8286 6.8286 6.8292 6.8292 7.9390 7.9390 7.9411 7.9411 9.5223 9.5223 9.5471 9.5471 10.0959 10.0959 10.1140 10.1140 10.6369 10.6369 10.6499 10.6499 12.2425 12.2425 12.2591 12.2591 12.8960 12.8960 12.9175 12.9175 k = 0.5000-0.0000 0.0969 ( 2896 PWs) bands (ev): -4.1366 -4.1366 -4.1359 -4.1359 -0.8862 -0.8862 -0.8857 -0.8857 3.9882 3.9882 3.9906 3.9906 5.2708 5.2708 5.2912 5.2912 6.1607 6.1607 6.1859 6.1859 6.7829 6.7829 6.7832 6.7832 7.9706 7.9706 7.9725 7.9725 9.5427 9.5427 9.5662 9.5662 10.1028 10.1028 10.1197 10.1197 10.6360 10.6360 10.6480 10.6480 12.2714 12.2714 12.2869 12.2869 12.8704 12.8704 12.8917 12.8917 k = 0.5000-0.0000 0.0861 ( 2900 PWs) bands (ev): -4.1424 -4.1424 -4.1417 -4.1417 -0.8723 -0.8723 -0.8719 -0.8719 4.0023 4.0023 4.0043 4.0043 5.2920 5.2920 5.3129 5.3129 6.1048 6.1048 6.1300 6.1300 6.7452 6.7452 6.7454 6.7454 8.0005 8.0005 8.0022 8.0022 9.5624 9.5624 9.5842 9.5842 10.1077 10.1077 10.1233 10.1233 10.6351 10.6351 10.6460 10.6460 12.3001 12.3001 12.3146 12.3146 12.8440 12.8440 12.8648 12.8648 k = 0.5000-0.0000 0.0753 ( 2900 PWs) bands (ev): -4.1476 -4.1476 -4.1471 -4.1471 -0.8596 -0.8596 -0.8592 -0.8592 4.0154 4.0154 4.0170 4.0170 5.3169 5.3169 5.3384 5.3384 6.0448 6.0448 6.0698 6.0698 6.7148 6.7148 6.7151 6.7151 8.0282 8.0282 8.0296 8.0296 9.5809 9.5809 9.6009 9.6009 10.1111 10.1111 10.1252 10.1252 10.6343 10.6343 10.6441 10.6441 12.3285 12.3285 12.3422 12.3422 12.8171 12.8171 12.8372 12.8372 k = 0.5000-0.0000 0.0646 ( 2908 PWs) bands (ev): -4.1523 -4.1523 -4.1518 -4.1518 -0.8483 -0.8483 -0.8479 -0.8479 4.0272 4.0272 4.0285 4.0285 5.3457 5.3457 5.3677 5.3677 5.9820 5.9820 6.0069 6.0069 6.6908 6.6908 6.6911 6.6911 8.0532 8.0532 8.0544 8.0544 9.5981 9.5981 9.6160 9.6160 10.1131 10.1131 10.1257 10.1257 10.6336 10.6336 10.6422 10.6422 12.3564 12.3564 12.3693 12.3693 12.7900 12.7900 12.8092 12.8092 k = 0.5000-0.0000 0.0538 ( 2904 PWs) bands (ev): -4.1563 -4.1563 -4.1559 -4.1559 -0.8385 -0.8385 -0.8382 -0.8382 4.0376 4.0376 4.0386 4.0386 5.3786 5.3786 5.4009 5.4009 5.9180 5.9180 5.9426 5.9426 6.6722 6.6722 6.6726 6.6726 8.0751 8.0751 8.0761 8.0761 9.6136 9.6136 9.6291 9.6291 10.1143 10.1143 10.1252 10.1252 10.6332 10.6332 10.6404 10.6404 12.3837 12.3837 12.3957 12.3957 12.7633 12.7633 12.7812 12.7812 k = 0.5000-0.0000 0.0431 ( 2908 PWs) bands (ev): -4.1596 -4.1596 -4.1593 -4.1593 -0.8303 -0.8303 -0.8300 -0.8300 4.0464 4.0464 4.0471 4.0471 5.4154 5.4154 5.4379 5.4379 5.8540 5.8540 5.8783 5.8783 6.6581 6.6581 6.6585 6.6585 8.0935 8.0935 8.0943 8.0943 9.6271 9.6271 9.6399 9.6399 10.1149 10.1149 10.1239 10.1239 10.6328 10.6328 10.6387 10.6387 12.4097 12.4097 12.4208 12.4208 12.7378 12.7378 12.7539 12.7539 k = 0.5000-0.0000 0.0323 ( 2904 PWs) bands (ev): -4.1623 -4.1623 -4.1620 -4.1620 -0.8238 -0.8238 -0.8236 -0.8236 4.0534 4.0534 4.0539 4.0539 5.4560 5.4560 5.4786 5.4786 5.7914 5.7914 5.8152 5.8152 6.6479 6.6479 6.6482 6.6482 8.1082 8.1082 8.1088 8.1088 9.6384 9.6384 9.6483 9.6483 10.1153 10.1153 10.1222 10.1222 10.6327 10.6327 10.6373 10.6373 12.4338 12.4338 12.4436 12.4436 12.7146 12.7146 12.7284 12.7284 k = 0.5000-0.0000 0.0215 ( 2906 PWs) bands (ev): -4.1641 -4.1641 -4.1639 -4.1639 -0.8192 -0.8192 -0.8190 -0.8190 4.0585 4.0585 4.0588 4.0588 5.4999 5.4999 5.5221 5.5221 5.7317 5.7317 5.7547 5.7547 6.6409 6.6409 6.6413 6.6413 8.1189 8.1189 8.1193 8.1193 9.6472 9.6472 9.6539 9.6539 10.1157 10.1157 10.1205 10.1205 10.6328 10.6328 10.6360 10.6360 12.4547 12.4547 12.4624 12.4624 12.6957 12.6957 12.7062 12.7062 k = 0.5000-0.0000 0.0108 ( 2910 PWs) bands (ev): -4.1653 -4.1653 -4.1651 -4.1651 -0.8163 -0.8163 -0.8162 -0.8162 4.0616 4.0616 4.0618 4.0618 5.5453 5.5453 5.5648 5.5648 5.6792 5.6792 5.6990 5.6990 6.6368 6.6368 6.6372 6.6372 8.1254 8.1254 8.1256 8.1256 9.6532 9.6532 9.6567 9.6567 10.1163 10.1163 10.1189 10.1189 10.6331 10.6331 10.6350 10.6350 12.4700 12.4700 12.4745 12.4745 12.6837 12.6837 12.6895 12.6895 k = 0.5000-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.1657 -4.1657 -4.1655 -4.1655 -0.8154 -0.8154 -0.8152 -0.8152 4.0626 4.0626 4.0628 4.0628 5.5809 5.5809 5.5811 5.5811 5.6597 5.6597 5.6598 5.6598 6.6355 6.6355 6.6359 6.6359 8.1276 8.1276 8.1277 8.1277 9.6562 9.6562 9.6566 9.6566 10.1169 10.1169 10.1179 10.1179 10.6334 10.6334 10.6345 10.6345 12.4768 12.4768 12.4778 12.4778 12.6810 12.6810 12.6818 12.6818 k = 0.5000 0.3810-0.0000 ( 2908 PWs) bands (ev): -3.7997 -3.7997 -3.7993 -3.7993 -1.4823 -1.4823 -1.4719 -1.4719 4.6910 4.6910 4.7085 4.7085 4.8474 4.8474 4.8568 4.8568 6.0729 6.0729 6.1123 6.1123 6.3578 6.3578 6.4053 6.4053 7.3685 7.3685 7.3750 7.3750 9.9312 9.9312 10.0085 10.0085 10.2522 10.2522 10.2880 10.2880 10.6855 10.6855 10.7087 10.7087 12.5346 12.5346 12.5377 12.5377 13.0409 13.0409 13.0677 13.0677 k = 0.5000 0.3810 0.0108 ( 2904 PWs) bands (ev): -3.7994 -3.7994 -3.7990 -3.7990 -1.4825 -1.4825 -1.4722 -1.4722 4.6776 4.6776 4.6941 4.6941 4.8534 4.8534 4.8635 4.8635 6.0728 6.0728 6.1122 6.1122 6.3677 6.3677 6.4150 6.4150 7.3695 7.3695 7.3759 7.3759 9.9320 9.9320 10.0092 10.0092 10.2514 10.2514 10.2871 10.2871 10.6855 10.6855 10.7087 10.7087 12.5346 12.5346 12.5377 12.5377 13.0403 13.0403 13.0671 13.0671 k = 0.5000 0.3810 0.0215 ( 2900 PWs) bands (ev): -3.7984 -3.7984 -3.7980 -3.7980 -1.4832 -1.4832 -1.4728 -1.4728 4.6435 4.6435 4.6584 4.6584 4.8653 4.8653 4.8763 4.8763 6.0743 6.0743 6.1135 6.1135 6.3957 6.3957 6.4422 6.4422 7.3725 7.3725 7.3788 7.3788 9.9341 9.9341 10.0112 10.0112 10.2489 10.2489 10.2844 10.2844 10.6854 10.6854 10.7087 10.7087 12.5347 12.5347 12.5375 12.5375 13.0386 13.0386 13.0651 13.0651 k = 0.5000 0.3810 0.0323 ( 2896 PWs) bands (ev): -3.7968 -3.7968 -3.7964 -3.7964 -1.4842 -1.4842 -1.4740 -1.4740 4.5980 4.5980 4.6113 4.6113 4.8741 4.8741 4.8853 4.8853 6.0815 6.0815 6.1200 6.1200 6.4375 6.4375 6.4830 6.4830 7.3774 7.3774 7.3837 7.3837 9.9377 9.9377 10.0147 10.0147 10.2448 10.2448 10.2799 10.2799 10.6852 10.6852 10.7086 10.7086 12.5348 12.5348 12.5373 12.5373 13.0356 13.0356 13.0619 13.0619 k = 0.5000 0.3810 0.0431 ( 2896 PWs) bands (ev): -3.7945 -3.7945 -3.7941 -3.7941 -1.4857 -1.4857 -1.4756 -1.4756 4.5464 4.5464 4.5583 4.5583 4.8749 4.8749 4.8856 4.8856 6.0976 6.0976 6.1348 6.1348 6.4889 6.4889 6.5334 6.5334 7.3845 7.3845 7.3907 7.3907 9.9426 9.9426 10.0195 10.0195 10.2389 10.2389 10.2734 10.2734 10.6851 10.6851 10.7085 10.7085 12.5352 12.5352 12.5371 12.5371 13.0315 13.0315 13.0575 13.0575 k = 0.5000 0.3810 0.0538 ( 2900 PWs) bands (ev): -3.7916 -3.7916 -3.7913 -3.7913 -1.4876 -1.4876 -1.4776 -1.4776 4.4916 4.4916 4.5023 4.5023 4.8659 4.8659 4.8754 4.8754 6.1244 6.1244 6.1598 6.1598 6.5466 6.5466 6.5901 6.5901 7.3938 7.3938 7.3998 7.3998 9.9490 9.9490 10.0257 10.0257 10.2314 10.2314 10.2651 10.2651 10.6848 10.6848 10.7084 10.7084 12.5358 12.5358 12.5371 12.5371 13.0262 13.0262 13.0517 13.0517 k = 0.5000 0.3810 0.0646 ( 2900 PWs) bands (ev): -3.7882 -3.7882 -3.7878 -3.7878 -1.4899 -1.4899 -1.4800 -1.4800 4.4354 4.4354 4.4450 4.4450 4.8470 4.8470 4.8550 4.8550 6.1623 6.1623 6.1954 6.1954 6.6082 6.6082 6.6506 6.6506 7.4058 7.4058 7.4114 7.4114 9.9569 9.9569 10.0333 10.0333 10.2222 10.2222 10.2551 10.2551 10.6845 10.6845 10.7082 10.7082 12.5368 12.5368 12.5374 12.5374 13.0198 13.0198 13.0446 13.0446 k = 0.5000 0.3810 0.0753 ( 2904 PWs) bands (ev): -3.7842 -3.7842 -3.7838 -3.7838 -1.4925 -1.4925 -1.4828 -1.4828 4.3789 4.3789 4.3876 4.3876 4.8191 4.8191 4.8255 4.8255 6.2102 6.2102 6.2409 6.2409 6.6718 6.6718 6.7130 6.7130 7.4205 7.4205 7.4257 7.4257 9.9661 9.9661 10.0422 10.0422 10.2114 10.2114 10.2432 10.2432 10.6842 10.6842 10.7080 10.7080 12.5380 12.5380 12.5385 12.5385 13.0121 13.0121 13.0363 13.0363 k = 0.5000 0.3810 0.0861 ( 2904 PWs) bands (ev): -3.7797 -3.7797 -3.7793 -3.7793 -1.4955 -1.4955 -1.4860 -1.4860 4.3230 4.3230 4.3309 4.3309 4.7836 4.7836 4.7884 4.7884 6.2666 6.2666 6.2949 6.2949 6.7357 6.7357 6.7755 6.7755 7.4385 7.4385 7.4431 7.4431 9.9768 9.9768 10.0523 10.0523 10.1992 10.1992 10.2297 10.2297 10.6838 10.6838 10.7077 10.7077 12.5393 12.5393 12.5408 12.5408 13.0034 13.0034 13.0268 13.0268 k = 0.5000 0.3810 0.0969 ( 2900 PWs) bands (ev): -3.7747 -3.7747 -3.7744 -3.7744 -1.4989 -1.4989 -1.4896 -1.4896 4.2684 4.2684 4.2755 4.2755 4.7423 4.7423 4.7455 4.7455 6.3298 6.3298 6.3557 6.3557 6.7986 6.7986 6.8369 6.8369 7.4603 7.4603 7.4639 7.4639 9.9888 9.9888 10.0635 10.0635 10.1858 10.1858 10.2146 10.2146 10.6835 10.6835 10.7075 10.7075 12.5416 12.5416 12.5441 12.5441 12.9935 12.9935 13.0160 13.0160 k = 0.5000 0.3810 0.1076 ( 2900 PWs) bands (ev): -3.7694 -3.7694 -3.7690 -3.7690 -1.5025 -1.5025 -1.4934 -1.4934 4.2154 4.2154 4.2220 4.2220 4.6965 4.6965 4.6983 4.6983 6.3980 6.3980 6.4216 6.4216 6.8594 6.8594 6.8958 6.8958 7.4863 7.4863 7.4887 7.4887 10.0017 10.0017 10.0748 10.0748 10.1719 10.1719 10.1984 10.1984 10.6831 10.6831 10.7072 10.7072 12.5448 12.5448 12.5484 12.5484 12.9826 12.9826 13.0041 13.0041 k = 0.5000 0.3810 0.1184 ( 2900 PWs) bands (ev): -3.7636 -3.7636 -3.7633 -3.7633 -1.5063 -1.5063 -1.4976 -1.4976 4.1646 4.1646 4.1706 4.1706 4.6476 4.6476 4.6482 4.6482 6.4696 6.4696 6.4911 6.4911 6.9171 6.9171 6.9512 6.9512 7.5170 7.5170 7.5178 7.5178 10.0150 10.0150 10.0844 10.0844 10.1594 10.1594 10.1814 10.1814 10.6826 10.6826 10.7068 10.7068 12.5493 12.5493 12.5541 12.5541 12.9708 12.9708 12.9911 12.9911 k = 0.5000 0.3810 0.1292 ( 2900 PWs) bands (ev): -3.7576 -3.7576 -3.7573 -3.7573 -1.5104 -1.5104 -1.5020 -1.5020 4.1163 4.1163 4.1218 4.1218 4.5964 4.5964 4.5968 4.5968 6.5432 6.5432 6.5628 6.5628 6.9706 6.9706 7.0021 7.0021 7.5516 7.5516 7.5528 7.5528 10.0275 10.0275 10.0874 10.0874 10.1531 10.1531 10.1649 10.1649 10.6822 10.6822 10.7064 10.7064 12.5554 12.5554 12.5614 12.5614 12.9582 12.9582 12.9772 12.9772 k = 0.5000 0.3810 0.1399 ( 2908 PWs) bands (ev): -3.7514 -3.7514 -3.7511 -3.7511 -1.5147 -1.5147 -1.5067 -1.5067 4.0707 4.0707 4.0758 4.0758 4.5437 4.5437 4.5450 4.5450 6.6175 6.6175 6.6353 6.6353 7.0194 7.0194 7.0480 7.0480 7.5905 7.5905 7.5939 7.5939 10.0365 10.0365 10.0785 10.0785 10.1515 10.1515 10.1582 10.1582 10.6817 10.6817 10.7059 10.7059 12.5633 12.5633 12.5704 12.5704 12.9449 12.9449 12.9625 12.9625 k = 0.5000 0.3810 0.1507 ( 2912 PWs) bands (ev): -3.7450 -3.7450 -3.7447 -3.7447 -1.5192 -1.5192 -1.5114 -1.5114 4.0281 4.0281 4.0328 4.0328 4.4910 4.4910 4.4930 4.4930 6.6912 6.6912 6.7075 6.7075 7.0633 7.0633 7.0886 7.0886 7.6344 7.6344 7.6402 7.6402 10.0374 10.0374 10.0601 10.0601 10.1458 10.1458 10.1722 10.1722 10.6811 10.6811 10.7053 10.7053 12.5732 12.5732 12.5814 12.5814 12.9313 12.9313 12.9472 12.9472 k = 0.5000 0.3810 0.1614 ( 2920 PWs) bands (ev): -3.7385 -3.7385 -3.7383 -3.7383 -1.5237 -1.5237 -1.5163 -1.5163 3.9885 3.9885 3.9930 3.9930 4.4388 4.4388 4.4414 4.4414 6.7635 6.7635 6.7783 6.7783 7.1021 7.1021 7.1242 7.1242 7.6830 7.6830 7.6911 7.6911 10.0268 10.0268 10.0365 10.0365 10.1510 10.1510 10.1908 10.1908 10.6805 10.6805 10.7046 10.7046 12.5854 12.5854 12.5945 12.5945 12.9175 12.9175 12.9315 12.9315 k = 0.5000 0.3810 0.1722 ( 2924 PWs) bands (ev): -3.7320 -3.7320 -3.7318 -3.7318 -1.5282 -1.5282 -1.5213 -1.5213 3.9522 3.9522 3.9564 3.9564 4.3878 4.3878 4.3908 4.3908 6.8332 6.8332 6.8467 6.8467 7.1363 7.1363 7.1551 7.1551 7.7359 7.7359 7.7460 7.7460 10.0062 10.0062 10.0095 10.0095 10.1655 10.1655 10.2118 10.2118 10.6800 10.6800 10.7040 10.7040 12.5999 12.5999 12.6095 12.6095 12.9041 12.9041 12.9160 12.9160 k = 0.5000 0.3810 0.1830 ( 2924 PWs) bands (ev): -3.7256 -3.7256 -3.7254 -3.7254 -1.5327 -1.5327 -1.5262 -1.5262 3.9192 3.9192 3.9231 3.9231 4.3384 4.3384 4.3417 4.3417 6.8995 6.8995 6.9119 6.9119 7.1662 7.1662 7.1820 7.1820 7.7922 7.7922 7.8041 7.8041 9.9794 9.9794 9.9804 9.9804 10.1853 10.1853 10.2342 10.2342 10.6795 10.6795 10.7032 10.7032 12.6167 12.6167 12.6266 12.6266 12.8916 12.8916 12.9009 12.9009 k = 0.5000 0.3810 0.1937 ( 2916 PWs) bands (ev): -3.7193 -3.7193 -3.7191 -3.7191 -1.5371 -1.5371 -1.5311 -1.5311 3.8895 3.8895 3.8933 3.8933 4.2909 4.2909 4.2944 4.2944 6.9616 6.9616 6.9731 6.9731 7.1925 7.1925 7.2055 7.2055 7.8512 7.8512 7.8644 7.8644 9.9486 9.9486 9.9497 9.9497 10.2081 10.2081 10.2574 10.2574 10.6789 10.6789 10.7022 10.7022 12.6357 12.6357 12.6451 12.6451 12.8809 12.8809 12.8870 12.8870 k = 0.5000 0.3810 0.2045 ( 2920 PWs) bands (ev): -3.7133 -3.7133 -3.7131 -3.7131 -1.5414 -1.5414 -1.5359 -1.5359 3.8633 3.8633 3.8668 3.8668 4.2458 4.2458 4.2494 4.2494 7.0188 7.0188 7.0295 7.0295 7.2157 7.2157 7.2262 7.2262 7.9117 7.9117 7.9258 7.9258 9.9157 9.9157 9.9169 9.9169 10.2323 10.2323 10.2807 10.2807 10.6784 10.6784 10.7012 10.7012 12.6563 12.6563 12.6642 12.6642 12.8731 12.8731 12.8753 12.8753 k = 0.5000 0.3810 0.2153 ( 2924 PWs) bands (ev): -3.7075 -3.7075 -3.7074 -3.7074 -1.5455 -1.5455 -1.5404 -1.5404 3.8404 3.8404 3.8437 3.8437 4.2033 4.2033 4.2070 4.2070 7.0705 7.0705 7.0805 7.0805 7.2365 7.2365 7.2445 7.2445 7.9730 7.9730 7.9874 7.9874 9.8817 9.8817 9.8826 9.8826 10.2570 10.2570 10.3036 10.3036 10.6779 10.6779 10.7001 10.7001 12.6771 12.6771 12.6824 12.6824 12.8674 12.8674 12.8703 12.8703 k = 0.5000 0.3810 0.2260 ( 2920 PWs) bands (ev): -3.7022 -3.7022 -3.7020 -3.7020 -1.5493 -1.5493 -1.5447 -1.5447 3.8208 3.8208 3.8239 3.8239 4.1639 4.1639 4.1675 4.1675 7.1163 7.1163 7.1257 7.1257 7.2553 7.2553 7.2612 7.2612 8.0337 8.0337 8.0482 8.0482 9.8469 9.8469 9.8478 9.8478 10.2817 10.2817 10.3256 10.3256 10.6776 10.6776 10.6988 10.6988 12.6960 12.6960 12.6975 12.6975 12.8658 12.8658 12.8747 12.8747 k = 0.5000 0.3810 0.2368 ( 2912 PWs) bands (ev): -3.6972 -3.6972 -3.6971 -3.6971 -1.5528 -1.5528 -1.5488 -1.5488 3.8044 3.8044 3.8074 3.8074 4.1278 4.1278 4.1313 4.1313 7.1556 7.1556 7.1646 7.1646 7.2726 7.2726 7.2765 7.2765 8.0929 8.0929 8.1068 8.1068 9.8121 9.8121 9.8133 9.8133 10.3056 10.3056 10.3462 10.3462 10.6775 10.6775 10.6974 10.6974 12.7075 12.7075 12.7101 12.7101 12.8736 12.8736 12.8884 12.8884 k = 0.5000 0.3810 0.2476 ( 2912 PWs) bands (ev): -3.6928 -3.6928 -3.6927 -3.6927 -1.5559 -1.5559 -1.5524 -1.5524 3.7911 3.7911 3.7938 3.7938 4.0953 4.0953 4.0986 4.0986 7.1883 7.1883 7.1967 7.1967 7.2887 7.2887 7.2910 7.2910 8.1490 8.1490 8.1621 8.1621 9.7781 9.7781 9.7798 9.7798 10.3282 10.3282 10.3648 10.3648 10.6775 10.6775 10.6958 10.6958 12.7121 12.7121 12.7175 12.7175 12.8923 12.8923 12.9114 12.9114 k = 0.5000 0.3810 0.2583 ( 2916 PWs) bands (ev): -3.6890 -3.6890 -3.6888 -3.6888 -1.5586 -1.5586 -1.5557 -1.5557 3.7806 3.7806 3.7830 3.7830 4.0669 4.0669 4.0699 4.0699 7.2143 7.2143 7.2219 7.2219 7.3037 7.3037 7.3048 7.3048 8.2008 8.2008 8.2125 8.2125 9.7462 9.7462 9.7481 9.7481 10.3488 10.3488 10.3808 10.3808 10.6777 10.6777 10.6941 10.6941 12.7126 12.7126 12.7189 12.7189 12.9208 12.9208 12.9419 12.9419 k = 0.5000 0.3810 0.2691 ( 2920 PWs) bands (ev): -3.6857 -3.6857 -3.6856 -3.6856 -1.5608 -1.5608 -1.5584 -1.5584 3.7727 3.7727 3.7748 3.7748 4.0430 4.0430 4.0455 4.0455 7.2342 7.2342 7.2406 7.2406 7.3174 7.3174 7.3177 7.3177 8.2466 8.2466 8.2567 8.2567 9.7175 9.7175 9.7196 9.7196 10.3672 10.3672 10.3939 10.3939 10.6783 10.6783 10.6922 10.6922 12.7108 12.7108 12.7168 12.7168 12.9558 12.9558 12.9766 12.9766 k = 0.5000 0.3810 0.2798 ( 2916 PWs) bands (ev): -3.6832 -3.6832 -3.6830 -3.6830 -1.5625 -1.5625 -1.5607 -1.5607 3.7672 3.7672 3.7688 3.7688 4.0239 4.0239 4.0259 4.0259 7.2486 7.2486 7.2536 7.2536 7.3290 7.3290 7.3291 7.3291 8.2850 8.2850 8.2929 8.2929 9.6934 9.6934 9.6953 9.6953 10.3830 10.3830 10.4036 10.4036 10.6792 10.6792 10.6902 10.6902 12.7085 12.7085 12.7133 12.7133 12.9931 12.9931 13.0119 13.0119 k = 0.5000 0.3810 0.2906 ( 2912 PWs) bands (ev): -3.6813 -3.6813 -3.6812 -3.6812 -1.5636 -1.5636 -1.5624 -1.5624 3.7636 3.7636 3.7648 3.7648 4.0100 4.0100 4.0114 4.0114 7.2584 7.2584 7.2619 7.2619 7.3378 7.3378 7.3381 7.3381 8.3142 8.3142 8.3197 8.3197 9.6752 9.6752 9.6768 9.6768 10.3955 10.3955 10.4097 10.4097 10.6804 10.6804 10.6881 10.6881 12.7065 12.7065 12.7098 12.7098 13.0283 13.0283 13.0431 13.0431 k = 0.5000 0.3810 0.3014 ( 2920 PWs) bands (ev): -3.6802 -3.6802 -3.6801 -3.6801 -1.5642 -1.5642 -1.5636 -1.5636 3.7617 3.7617 3.7623 3.7623 4.0016 4.0016 4.0024 4.0024 7.2643 7.2643 7.2661 7.2661 7.3434 7.3434 7.3437 7.3437 8.3329 8.3329 8.3357 8.3357 9.6638 9.6638 9.6649 9.6649 10.4046 10.4046 10.4118 10.4118 10.6820 10.6820 10.6860 10.6860 12.7054 12.7054 12.7071 12.7071 13.0557 13.0557 13.0640 13.0640 k = 0.5000 0.3810 0.3121 ( 2920 PWs) bands (ev): -3.6798 -3.6798 -3.6797 -3.6797 -1.5643 -1.5643 -1.5641 -1.5641 3.7613 3.7613 3.7614 3.7614 3.9990 3.9990 3.9991 3.9991 7.2666 7.2666 7.2671 7.2671 7.3453 7.3453 7.3456 7.3456 8.3401 8.3401 8.3403 8.3403 9.6599 9.6599 9.6608 9.6608 10.4096 10.4096 10.4106 10.4106 10.6833 10.6833 10.6845 10.6845 12.7055 12.7055 12.7056 12.7056 13.0685 13.0685 13.0692 13.0692 Writing output data file FeS2.save init_run : 0.20s CPU 0.36s WALL ( 1 calls) electrons : 174.09s CPU 177.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 174.08s CPU 177.10s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 460 calls) cegterg : 157.91s CPU 160.23s WALL ( 514 calls) Called by sum_band: Called by *egterg: h_psi : 85.11s CPU 86.90s WALL ( 9054 calls) s_psi : 8.99s CPU 9.08s WALL ( 9054 calls) g_psi : 0.22s CPU 0.22s WALL ( 8080 calls) cdiaghg : 60.78s CPU 61.54s WALL ( 8540 calls) cegterg:over : 5.79s CPU 5.88s WALL ( 8080 calls) cegterg:upda : 4.64s CPU 4.62s WALL ( 8080 calls) cegterg:last : 2.62s CPU 2.68s WALL ( 1624 calls) cdiaghg:chol : 3.51s CPU 3.44s WALL ( 8540 calls) cdiaghg:inve : 2.24s CPU 2.30s WALL ( 8540 calls) cdiaghg:para : 3.92s CPU 3.74s WALL ( 17080 calls) Called by h_psi: h_psi:vloc : 65.92s CPU 67.58s WALL ( 9054 calls) h_psi:vnl : 18.97s CPU 19.10s WALL ( 9054 calls) add_vuspsi : 10.74s CPU 10.88s WALL ( 9054 calls) General routines calbec : 8.20s CPU 8.19s WALL ( 9054 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 62.43s CPU 63.97s WALL ( 1028700 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 920 calls) Parallel routines fft_scatter : 24.86s CPU 25.54s WALL ( 1028723 calls) PWSCF : 3m11.47s CPU 3m31.13s WALL This run was terminated on: 18:21: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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