Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:59:40 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: ./PtCl2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 44 18 5 4070 1112 181 Max 45 19 6 4079 1145 192 Sum 1585 673 207 146611 40663 6771 bravais-lattice index = 14 lattice parameter (alat) = 6.3306 a.u. unit-cell volume = 964.2528 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.330582 celldm(2)= 1.152239 celldm(3)= 3.298507 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 1.152239 0.000000 ) a(3) = ( 0.000000 0.000000 3.298507 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.867876 -0.000000 ) b(3) = ( 0.000000 0.000000 0.303167 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Cl 7.00 35.45300 Cl( 1.00) Pt 10.00 195.08400 Pt( 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= 424 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0023585 k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0023585 k( 4) = ( 0.0319149 -0.0000000 -0.0000000), wk = 0.0023585 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0023585 k( 6) = ( 0.0531915 -0.0000000 -0.0000000), wk = 0.0023585 k( 7) = ( 0.0638298 -0.0000000 -0.0000000), wk = 0.0023585 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0023585 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0023585 k( 10) = ( 0.0957447 -0.0000000 -0.0000000), wk = 0.0023585 k( 11) = ( 0.1063830 -0.0000000 -0.0000000), wk = 0.0023585 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0023585 k( 13) = ( 0.1276596 -0.0000000 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0023585 k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0023585 k( 18) = ( 0.1808511 -0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.1914894 -0.0000000 -0.0000000), wk = 0.0023585 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0023585 k( 21) = ( 0.2127660 -0.0000000 -0.0000000), wk = 0.0023585 k( 22) = ( 0.2234043 -0.0000000 -0.0000000), wk = 0.0023585 k( 23) = ( 0.2340425 -0.0000000 -0.0000000), wk = 0.0023585 k( 24) = ( 0.2446809 -0.0000000 -0.0000000), wk = 0.0023585 k( 25) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0023585 k( 26) = ( 0.2659574 -0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0023585 k( 28) = ( 0.2872340 -0.0000000 -0.0000000), wk = 0.0023585 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.3085106 -0.0000000 -0.0000000), wk = 0.0023585 k( 31) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0023585 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0023585 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0023585 k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0023585 k( 35) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0023585 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0023585 k( 37) = ( 0.3829787 -0.0000000 -0.0000000), wk = 0.0023585 k( 38) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0023585 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0023585 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0023585 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0023585 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0023585 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0023585 k( 45) = ( 0.4680851 -0.0000000 -0.0000000), wk = 0.0023585 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0023585 k( 47) = ( 0.4893617 -0.0000000 -0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.0105838 -0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.0211677 -0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.0317516 -0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.0423354 -0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.0529192 -0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.0635031 -0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.0740869 -0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.0846708 -0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.0952546 -0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.1058385 -0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.1164223 -0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.1270062 -0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.1375900 -0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.1481739 -0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.1587577 -0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.1693416 -0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.1799254 -0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.1905093 -0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.2010931 -0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.2116770 -0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.2222608 -0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.2328447 -0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.2434285 -0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.2540124 -0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.2645962 -0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.2751801 -0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.2857639 -0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.2963478 -0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.3069316 -0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.3175155 -0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.3280993 -0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.3386832 -0.0000000), wk = 0.0023585 k( 82) = ( 0.5000000 0.3492670 -0.0000000), wk = 0.0023585 k( 83) = ( 0.5000000 0.3598509 -0.0000000), wk = 0.0023585 k( 84) = ( 0.5000000 0.3704347 -0.0000000), wk = 0.0023585 k( 85) = ( 0.5000000 0.3810186 -0.0000000), wk = 0.0023585 k( 86) = ( 0.5000000 0.3916024 -0.0000000), wk = 0.0023585 k( 87) = ( 0.5000000 0.4021863 -0.0000000), wk = 0.0023585 k( 88) = ( 0.5000000 0.4127701 -0.0000000), wk = 0.0023585 k( 89) = ( 0.5000000 0.4233540 -0.0000000), wk = 0.0023585 k( 90) = ( 0.5000000 0.4339378 -0.0000000), wk = 0.0023585 k( 91) = ( 0.5000000 0.4339378 -0.0000000), wk = 0.0023585 k( 92) = ( 0.4893617 0.4339378 -0.0000000), wk = 0.0023585 k( 93) = ( 0.4787234 0.4339378 -0.0000000), wk = 0.0023585 k( 94) = ( 0.4680851 0.4339378 -0.0000000), wk = 0.0023585 k( 95) = ( 0.4574468 0.4339378 -0.0000000), wk = 0.0023585 k( 96) = ( 0.4468085 0.4339378 -0.0000000), wk = 0.0023585 k( 97) = ( 0.4361702 0.4339378 -0.0000000), wk = 0.0023585 k( 98) = ( 0.4255319 0.4339378 -0.0000000), wk = 0.0023585 k( 99) = ( 0.4148936 0.4339378 -0.0000000), wk = 0.0023585 k( 100) = ( 0.4042553 0.4339378 -0.0000000), wk = 0.0023585 k( 101) = ( 0.3936170 0.4339378 -0.0000000), wk = 0.0023585 k( 102) = ( 0.3829787 0.4339378 -0.0000000), wk = 0.0023585 k( 103) = ( 0.3723404 0.4339378 -0.0000000), wk = 0.0023585 k( 104) = ( 0.3617021 0.4339378 -0.0000000), wk = 0.0023585 k( 105) = ( 0.3510638 0.4339378 -0.0000000), wk = 0.0023585 k( 106) = ( 0.3404255 0.4339378 -0.0000000), wk = 0.0023585 k( 107) = ( 0.3297872 0.4339378 -0.0000000), wk = 0.0023585 k( 108) = ( 0.3191489 0.4339378 -0.0000000), wk = 0.0023585 k( 109) = ( 0.3085106 0.4339378 -0.0000000), wk = 0.0023585 k( 110) = ( 0.2978723 0.4339378 -0.0000000), wk = 0.0023585 k( 111) = ( 0.2872340 0.4339378 -0.0000000), wk = 0.0023585 k( 112) = ( 0.2765957 0.4339378 -0.0000000), wk = 0.0023585 k( 113) = ( 0.2659574 0.4339378 -0.0000000), wk = 0.0023585 k( 114) = ( 0.2553191 0.4339378 -0.0000000), wk = 0.0023585 k( 115) = ( 0.2446809 0.4339378 -0.0000000), wk = 0.0023585 k( 116) = ( 0.2340425 0.4339378 -0.0000000), wk = 0.0023585 k( 117) = ( 0.2234043 0.4339378 -0.0000000), wk = 0.0023585 k( 118) = ( 0.2127660 0.4339378 -0.0000000), wk = 0.0023585 k( 119) = ( 0.2021277 0.4339378 -0.0000000), wk = 0.0023585 k( 120) = ( 0.1914894 0.4339378 -0.0000000), wk = 0.0023585 k( 121) = ( 0.1808511 0.4339378 -0.0000000), wk = 0.0023585 k( 122) = ( 0.1702128 0.4339378 -0.0000000), wk = 0.0023585 k( 123) = ( 0.1595745 0.4339378 -0.0000000), wk = 0.0023585 k( 124) = ( 0.1489362 0.4339378 -0.0000000), wk = 0.0023585 k( 125) = ( 0.1382979 0.4339378 -0.0000000), wk = 0.0023585 k( 126) = ( 0.1276596 0.4339378 -0.0000000), wk = 0.0023585 k( 127) = ( 0.1170213 0.4339378 -0.0000000), wk = 0.0023585 k( 128) = ( 0.1063830 0.4339378 -0.0000000), wk = 0.0023585 k( 129) = ( 0.0957447 0.4339378 -0.0000000), wk = 0.0023585 k( 130) = ( 0.0851064 0.4339378 -0.0000000), wk = 0.0023585 k( 131) = ( 0.0744681 0.4339378 -0.0000000), wk = 0.0023585 k( 132) = ( 0.0638298 0.4339378 -0.0000000), wk = 0.0023585 k( 133) = ( 0.0531915 0.4339378 -0.0000000), wk = 0.0023585 k( 134) = ( 0.0425532 0.4339378 -0.0000000), wk = 0.0023585 k( 135) = ( 0.0319149 0.4339378 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0212766 0.4339378 -0.0000000), wk = 0.0023585 k( 137) = ( 0.0106383 0.4339378 -0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.4339378 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.4339378 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.4233540 -0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.4127701 -0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.4021863 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.3916024 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.3810186 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.3704347 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.3598509 -0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.3492670 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.3386832 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.3280993 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.3175155 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.3069316 -0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.2963478 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.2857639 -0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.2751801 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.2645962 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.2540124 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.2434285 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.2328447 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.2222608 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.2116770 -0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.2010931 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.1905093 -0.0000000), wk = 0.0023585 k( 163) = ( 0.0000000 0.1799254 -0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.1693416 -0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.1587577 -0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.1481739 -0.0000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.1375900 -0.0000000), wk = 0.0023585 k( 168) = ( 0.0000000 0.1270062 -0.0000000), wk = 0.0023585 k( 169) = ( 0.0000000 0.1164223 -0.0000000), wk = 0.0023585 k( 170) = ( 0.0000000 0.1058385 -0.0000000), wk = 0.0023585 k( 171) = ( 0.0000000 0.0952546 -0.0000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0846708 -0.0000000), wk = 0.0023585 k( 173) = ( 0.0000000 0.0740869 -0.0000000), wk = 0.0023585 k( 174) = ( 0.0000000 0.0635031 -0.0000000), wk = 0.0023585 k( 175) = ( 0.0000000 0.0529192 -0.0000000), wk = 0.0023585 k( 176) = ( 0.0000000 0.0423354 -0.0000000), wk = 0.0023585 k( 177) = ( 0.0000000 0.0317516 -0.0000000), wk = 0.0023585 k( 178) = ( 0.0000000 0.0211677 -0.0000000), wk = 0.0023585 k( 179) = ( 0.0000000 0.0105838 -0.0000000), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.0101056), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.0202112), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.0303167), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.0404223), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.0505279), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.0606335), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.0707391), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.0808446), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.0909502), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.1010558), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.1111614), wk = 0.0023585 k( 193) = ( 0.0000000 0.0000000 0.1212670), wk = 0.0023585 k( 194) = ( 0.0000000 0.0000000 0.1313725), wk = 0.0023585 k( 195) = ( 0.0000000 0.0000000 0.1414781), wk = 0.0023585 k( 196) = ( 0.0000000 0.0000000 0.1515837), wk = 0.0023585 k( 197) = ( 0.0000000 0.0000000 0.1515837), wk = 0.0023585 k( 198) = ( 0.0106383 -0.0000000 0.1515837), wk = 0.0023585 k( 199) = ( 0.0212766 -0.0000000 0.1515837), wk = 0.0023585 k( 200) = ( 0.0319149 -0.0000000 0.1515837), wk = 0.0023585 k( 201) = ( 0.0425532 -0.0000000 0.1515837), wk = 0.0023585 k( 202) = ( 0.0531915 -0.0000000 0.1515837), wk = 0.0023585 k( 203) = ( 0.0638298 -0.0000000 0.1515837), wk = 0.0023585 k( 204) = ( 0.0744681 -0.0000000 0.1515837), wk = 0.0023585 k( 205) = ( 0.0851064 -0.0000000 0.1515837), wk = 0.0023585 k( 206) = ( 0.0957447 -0.0000000 0.1515837), wk = 0.0023585 k( 207) = ( 0.1063830 -0.0000000 0.1515837), wk = 0.0023585 k( 208) = ( 0.1170213 -0.0000000 0.1515837), wk = 0.0023585 k( 209) = ( 0.1276596 -0.0000000 0.1515837), wk = 0.0023585 k( 210) = ( 0.1382979 -0.0000000 0.1515837), wk = 0.0023585 k( 211) = ( 0.1489362 -0.0000000 0.1515837), wk = 0.0023585 k( 212) = ( 0.1595745 -0.0000000 0.1515837), wk = 0.0023585 k( 213) = ( 0.1702128 -0.0000000 0.1515837), wk = 0.0023585 k( 214) = ( 0.1808511 -0.0000000 0.1515837), wk = 0.0023585 k( 215) = ( 0.1914894 -0.0000000 0.1515837), wk = 0.0023585 k( 216) = ( 0.2021277 -0.0000000 0.1515837), wk = 0.0023585 k( 217) = ( 0.2127660 -0.0000000 0.1515837), wk = 0.0023585 k( 218) = ( 0.2234043 -0.0000000 0.1515837), wk = 0.0023585 k( 219) = ( 0.2340425 -0.0000000 0.1515837), wk = 0.0023585 k( 220) = ( 0.2446809 -0.0000000 0.1515837), wk = 0.0023585 k( 221) = ( 0.2553191 -0.0000000 0.1515837), wk = 0.0023585 k( 222) = ( 0.2659574 -0.0000000 0.1515837), wk = 0.0023585 k( 223) = ( 0.2765957 -0.0000000 0.1515837), wk = 0.0023585 k( 224) = ( 0.2872340 -0.0000000 0.1515837), wk = 0.0023585 k( 225) = ( 0.2978723 -0.0000000 0.1515837), wk = 0.0023585 k( 226) = ( 0.3085106 -0.0000000 0.1515837), wk = 0.0023585 k( 227) = ( 0.3191489 -0.0000000 0.1515837), wk = 0.0023585 k( 228) = ( 0.3297872 -0.0000000 0.1515837), wk = 0.0023585 k( 229) = ( 0.3404255 -0.0000000 0.1515837), wk = 0.0023585 k( 230) = ( 0.3510638 -0.0000000 0.1515837), wk = 0.0023585 k( 231) = ( 0.3617021 -0.0000000 0.1515837), wk = 0.0023585 k( 232) = ( 0.3723404 -0.0000000 0.1515837), wk = 0.0023585 k( 233) = ( 0.3829787 -0.0000000 0.1515837), wk = 0.0023585 k( 234) = ( 0.3936170 -0.0000000 0.1515837), wk = 0.0023585 k( 235) = ( 0.4042553 -0.0000000 0.1515837), wk = 0.0023585 k( 236) = ( 0.4148936 -0.0000000 0.1515837), wk = 0.0023585 k( 237) = ( 0.4255319 -0.0000000 0.1515837), wk = 0.0023585 k( 238) = ( 0.4361702 -0.0000000 0.1515837), wk = 0.0023585 k( 239) = ( 0.4468085 -0.0000000 0.1515837), wk = 0.0023585 k( 240) = ( 0.4574468 -0.0000000 0.1515837), wk = 0.0023585 k( 241) = ( 0.4680851 -0.0000000 0.1515837), wk = 0.0023585 k( 242) = ( 0.4787234 -0.0000000 0.1515837), wk = 0.0023585 k( 243) = ( 0.4893617 -0.0000000 0.1515837), wk = 0.0023585 k( 244) = ( 0.5000000 -0.0000000 0.1515837), wk = 0.0023585 k( 245) = ( 0.5000000 -0.0000000 0.1515837), wk = 0.0023585 k( 246) = ( 0.5000000 0.0105838 0.1515837), wk = 0.0023585 k( 247) = ( 0.5000000 0.0211677 0.1515837), wk = 0.0023585 k( 248) = ( 0.5000000 0.0317516 0.1515837), wk = 0.0023585 k( 249) = ( 0.5000000 0.0423354 0.1515837), wk = 0.0023585 k( 250) = ( 0.5000000 0.0529192 0.1515837), wk = 0.0023585 k( 251) = ( 0.5000000 0.0635031 0.1515837), wk = 0.0023585 k( 252) = ( 0.5000000 0.0740869 0.1515837), wk = 0.0023585 k( 253) = ( 0.5000000 0.0846708 0.1515837), wk = 0.0023585 k( 254) = ( 0.5000000 0.0952546 0.1515837), wk = 0.0023585 k( 255) = ( 0.5000000 0.1058385 0.1515837), wk = 0.0023585 k( 256) = ( 0.5000000 0.1164223 0.1515837), wk = 0.0023585 k( 257) = ( 0.5000000 0.1270062 0.1515837), wk = 0.0023585 k( 258) = ( 0.5000000 0.1375900 0.1515837), wk = 0.0023585 k( 259) = ( 0.5000000 0.1481739 0.1515837), wk = 0.0023585 k( 260) = ( 0.5000000 0.1587577 0.1515837), wk = 0.0023585 k( 261) = ( 0.5000000 0.1693416 0.1515837), wk = 0.0023585 k( 262) = ( 0.5000000 0.1799254 0.1515837), wk = 0.0023585 k( 263) = ( 0.5000000 0.1905093 0.1515837), wk = 0.0023585 k( 264) = ( 0.5000000 0.2010931 0.1515837), wk = 0.0023585 k( 265) = ( 0.5000000 0.2116770 0.1515837), wk = 0.0023585 k( 266) = ( 0.5000000 0.2222608 0.1515837), wk = 0.0023585 k( 267) = ( 0.5000000 0.2328447 0.1515837), wk = 0.0023585 k( 268) = ( 0.5000000 0.2434285 0.1515837), wk = 0.0023585 k( 269) = ( 0.5000000 0.2540124 0.1515837), wk = 0.0023585 k( 270) = ( 0.5000000 0.2645962 0.1515837), wk = 0.0023585 k( 271) = ( 0.5000000 0.2751801 0.1515837), wk = 0.0023585 k( 272) = ( 0.5000000 0.2857639 0.1515837), wk = 0.0023585 k( 273) = ( 0.5000000 0.2963478 0.1515837), wk = 0.0023585 k( 274) = ( 0.5000000 0.3069316 0.1515837), wk = 0.0023585 k( 275) = ( 0.5000000 0.3175155 0.1515837), wk = 0.0023585 k( 276) = ( 0.5000000 0.3280993 0.1515837), wk = 0.0023585 k( 277) = ( 0.5000000 0.3386832 0.1515837), wk = 0.0023585 k( 278) = ( 0.5000000 0.3492670 0.1515837), wk = 0.0023585 k( 279) = ( 0.5000000 0.3598509 0.1515837), wk = 0.0023585 k( 280) = ( 0.5000000 0.3704347 0.1515837), wk = 0.0023585 k( 281) = ( 0.5000000 0.3810186 0.1515837), wk = 0.0023585 k( 282) = ( 0.5000000 0.3916024 0.1515837), wk = 0.0023585 k( 283) = ( 0.5000000 0.4021863 0.1515837), wk = 0.0023585 k( 284) = ( 0.5000000 0.4127701 0.1515837), wk = 0.0023585 k( 285) = ( 0.5000000 0.4233540 0.1515837), wk = 0.0023585 k( 286) = ( 0.5000000 0.4339378 0.1515837), wk = 0.0023585 k( 287) = ( 0.5000000 0.4339378 0.1515837), wk = 0.0023585 k( 288) = ( 0.4893617 0.4339378 0.1515837), wk = 0.0023585 k( 289) = ( 0.4787234 0.4339378 0.1515837), wk = 0.0023585 k( 290) = ( 0.4680851 0.4339378 0.1515837), wk = 0.0023585 k( 291) = ( 0.4574468 0.4339378 0.1515837), wk = 0.0023585 k( 292) = ( 0.4468085 0.4339378 0.1515837), wk = 0.0023585 k( 293) = ( 0.4361702 0.4339378 0.1515837), wk = 0.0023585 k( 294) = ( 0.4255319 0.4339378 0.1515837), wk = 0.0023585 k( 295) = ( 0.4148936 0.4339378 0.1515837), wk = 0.0023585 k( 296) = ( 0.4042553 0.4339378 0.1515837), wk = 0.0023585 k( 297) = ( 0.3936170 0.4339378 0.1515837), wk = 0.0023585 k( 298) = ( 0.3829787 0.4339378 0.1515837), wk = 0.0023585 k( 299) = ( 0.3723404 0.4339378 0.1515837), wk = 0.0023585 k( 300) = ( 0.3617021 0.4339378 0.1515837), wk = 0.0023585 k( 301) = ( 0.3510638 0.4339378 0.1515837), wk = 0.0023585 k( 302) = ( 0.3404255 0.4339378 0.1515837), wk = 0.0023585 k( 303) = ( 0.3297872 0.4339378 0.1515837), wk = 0.0023585 k( 304) = ( 0.3191489 0.4339378 0.1515837), wk = 0.0023585 k( 305) = ( 0.3085106 0.4339378 0.1515837), wk = 0.0023585 k( 306) = ( 0.2978723 0.4339378 0.1515837), wk = 0.0023585 k( 307) = ( 0.2872340 0.4339378 0.1515837), wk = 0.0023585 k( 308) = ( 0.2765957 0.4339378 0.1515837), wk = 0.0023585 k( 309) = ( 0.2659574 0.4339378 0.1515837), wk = 0.0023585 k( 310) = ( 0.2553191 0.4339378 0.1515837), wk = 0.0023585 k( 311) = ( 0.2446809 0.4339378 0.1515837), wk = 0.0023585 k( 312) = ( 0.2340425 0.4339378 0.1515837), wk = 0.0023585 k( 313) = ( 0.2234043 0.4339378 0.1515837), wk = 0.0023585 k( 314) = ( 0.2127660 0.4339378 0.1515837), wk = 0.0023585 k( 315) = ( 0.2021277 0.4339378 0.1515837), wk = 0.0023585 k( 316) = ( 0.1914894 0.4339378 0.1515837), wk = 0.0023585 k( 317) = ( 0.1808511 0.4339378 0.1515837), wk = 0.0023585 k( 318) = ( 0.1702128 0.4339378 0.1515837), wk = 0.0023585 k( 319) = ( 0.1595745 0.4339378 0.1515837), wk = 0.0023585 k( 320) = ( 0.1489362 0.4339378 0.1515837), wk = 0.0023585 k( 321) = ( 0.1382979 0.4339378 0.1515837), wk = 0.0023585 k( 322) = ( 0.1276596 0.4339378 0.1515837), wk = 0.0023585 k( 323) = ( 0.1170213 0.4339378 0.1515837), wk = 0.0023585 k( 324) = ( 0.1063830 0.4339378 0.1515837), wk = 0.0023585 k( 325) = ( 0.0957447 0.4339378 0.1515837), wk = 0.0023585 k( 326) = ( 0.0851064 0.4339378 0.1515837), wk = 0.0023585 k( 327) = ( 0.0744681 0.4339378 0.1515837), wk = 0.0023585 k( 328) = ( 0.0638298 0.4339378 0.1515837), wk = 0.0023585 k( 329) = ( 0.0531915 0.4339378 0.1515837), wk = 0.0023585 k( 330) = ( 0.0425532 0.4339378 0.1515837), wk = 0.0023585 k( 331) = ( 0.0319149 0.4339378 0.1515837), wk = 0.0023585 k( 332) = ( 0.0212766 0.4339378 0.1515837), wk = 0.0023585 k( 333) = ( 0.0106383 0.4339378 0.1515837), wk = 0.0023585 k( 334) = ( 0.0000000 0.4339378 0.1515837), wk = 0.0023585 k( 335) = ( 0.0000000 0.4339378 0.1515837), wk = 0.0023585 k( 336) = ( 0.0000000 0.4233540 0.1515837), wk = 0.0023585 k( 337) = ( 0.0000000 0.4127701 0.1515837), wk = 0.0023585 k( 338) = ( 0.0000000 0.4021863 0.1515837), wk = 0.0023585 k( 339) = ( 0.0000000 0.3916024 0.1515837), wk = 0.0023585 k( 340) = ( 0.0000000 0.3810186 0.1515837), wk = 0.0023585 k( 341) = ( 0.0000000 0.3704347 0.1515837), wk = 0.0023585 k( 342) = ( 0.0000000 0.3598509 0.1515837), wk = 0.0023585 k( 343) = ( 0.0000000 0.3492670 0.1515837), wk = 0.0023585 k( 344) = ( 0.0000000 0.3386832 0.1515837), wk = 0.0023585 k( 345) = ( 0.0000000 0.3280993 0.1515837), wk = 0.0023585 k( 346) = ( 0.0000000 0.3175155 0.1515837), wk = 0.0023585 k( 347) = ( 0.0000000 0.3069316 0.1515837), wk = 0.0023585 k( 348) = ( 0.0000000 0.2963478 0.1515837), wk = 0.0023585 k( 349) = ( 0.0000000 0.2857639 0.1515837), wk = 0.0023585 k( 350) = ( 0.0000000 0.2751801 0.1515837), wk = 0.0023585 k( 351) = ( 0.0000000 0.2645962 0.1515837), wk = 0.0023585 k( 352) = ( 0.0000000 0.2540124 0.1515837), wk = 0.0023585 k( 353) = ( 0.0000000 0.2434285 0.1515837), wk = 0.0023585 k( 354) = ( 0.0000000 0.2328447 0.1515837), wk = 0.0023585 k( 355) = ( 0.0000000 0.2222608 0.1515837), wk = 0.0023585 k( 356) = ( 0.0000000 0.2116770 0.1515837), wk = 0.0023585 k( 357) = ( 0.0000000 0.2010931 0.1515837), wk = 0.0023585 k( 358) = ( 0.0000000 0.1905093 0.1515837), wk = 0.0023585 k( 359) = ( 0.0000000 0.1799254 0.1515837), wk = 0.0023585 k( 360) = ( 0.0000000 0.1693416 0.1515837), wk = 0.0023585 k( 361) = ( 0.0000000 0.1587577 0.1515837), wk = 0.0023585 k( 362) = ( 0.0000000 0.1481739 0.1515837), wk = 0.0023585 k( 363) = ( 0.0000000 0.1375900 0.1515837), wk = 0.0023585 k( 364) = ( 0.0000000 0.1270062 0.1515837), wk = 0.0023585 k( 365) = ( 0.0000000 0.1164223 0.1515837), wk = 0.0023585 k( 366) = ( 0.0000000 0.1058385 0.1515837), wk = 0.0023585 k( 367) = ( 0.0000000 0.0952546 0.1515837), wk = 0.0023585 k( 368) = ( 0.0000000 0.0846708 0.1515837), wk = 0.0023585 k( 369) = ( 0.0000000 0.0740869 0.1515837), wk = 0.0023585 k( 370) = ( 0.0000000 0.0635031 0.1515837), wk = 0.0023585 k( 371) = ( 0.0000000 0.0529192 0.1515837), wk = 0.0023585 k( 372) = ( 0.0000000 0.0423354 0.1515837), wk = 0.0023585 k( 373) = ( 0.0000000 0.0317516 0.1515837), wk = 0.0023585 k( 374) = ( 0.0000000 0.0211677 0.1515837), wk = 0.0023585 k( 375) = ( 0.0000000 0.0105838 0.1515837), wk = 0.0023585 k( 376) = ( 0.0000000 0.0000000 0.1515837), wk = 0.0023585 k( 377) = ( 0.0000000 0.4339378 -0.0000000), wk = 0.0023585 k( 378) = ( 0.0000000 0.4339378 0.0101056), wk = 0.0023585 k( 379) = ( 0.0000000 0.4339378 0.0202112), wk = 0.0023585 k( 380) = ( 0.0000000 0.4339378 0.0303167), wk = 0.0023585 k( 381) = ( 0.0000000 0.4339378 0.0404223), wk = 0.0023585 k( 382) = ( 0.0000000 0.4339378 0.0505279), wk = 0.0023585 k( 383) = ( 0.0000000 0.4339378 0.0606335), wk = 0.0023585 k( 384) = ( 0.0000000 0.4339378 0.0707391), wk = 0.0023585 k( 385) = ( 0.0000000 0.4339378 0.0808446), wk = 0.0023585 k( 386) = ( 0.0000000 0.4339378 0.0909502), wk = 0.0023585 k( 387) = ( 0.0000000 0.4339378 0.1010558), wk = 0.0023585 k( 388) = ( 0.0000000 0.4339378 0.1111614), wk = 0.0023585 k( 389) = ( 0.0000000 0.4339378 0.1212670), wk = 0.0023585 k( 390) = ( 0.0000000 0.4339378 0.1313725), wk = 0.0023585 k( 391) = ( 0.0000000 0.4339378 0.1414781), wk = 0.0023585 k( 392) = ( 0.0000000 0.4339378 0.1515837), wk = 0.0023585 k( 393) = ( 0.5000000 -0.0000000 0.1515837), wk = 0.0023585 k( 394) = ( 0.5000000 -0.0000000 0.1414781), wk = 0.0023585 k( 395) = ( 0.5000000 -0.0000000 0.1313725), wk = 0.0023585 k( 396) = ( 0.5000000 -0.0000000 0.1212670), wk = 0.0023585 k( 397) = ( 0.5000000 -0.0000000 0.1111614), wk = 0.0023585 k( 398) = ( 0.5000000 -0.0000000 0.1010558), wk = 0.0023585 k( 399) = ( 0.5000000 -0.0000000 0.0909502), wk = 0.0023585 k( 400) = ( 0.5000000 -0.0000000 0.0808446), wk = 0.0023585 k( 401) = ( 0.5000000 -0.0000000 0.0707391), wk = 0.0023585 k( 402) = ( 0.5000000 -0.0000000 0.0606335), wk = 0.0023585 k( 403) = ( 0.5000000 -0.0000000 0.0505279), wk = 0.0023585 k( 404) = ( 0.5000000 -0.0000000 0.0404223), wk = 0.0023585 k( 405) = ( 0.5000000 -0.0000000 0.0303167), wk = 0.0023585 k( 406) = ( 0.5000000 -0.0000000 0.0202112), wk = 0.0023585 k( 407) = ( 0.5000000 -0.0000000 0.0101056), wk = 0.0023585 k( 408) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 409) = ( 0.5000000 0.4339378 -0.0000000), wk = 0.0023585 k( 410) = ( 0.5000000 0.4339378 0.0101056), wk = 0.0023585 k( 411) = ( 0.5000000 0.4339378 0.0202112), wk = 0.0023585 k( 412) = ( 0.5000000 0.4339378 0.0303167), wk = 0.0023585 k( 413) = ( 0.5000000 0.4339378 0.0404223), wk = 0.0023585 k( 414) = ( 0.5000000 0.4339378 0.0505279), wk = 0.0023585 k( 415) = ( 0.5000000 0.4339378 0.0606335), wk = 0.0023585 k( 416) = ( 0.5000000 0.4339378 0.0707391), wk = 0.0023585 k( 417) = ( 0.5000000 0.4339378 0.0808446), wk = 0.0023585 k( 418) = ( 0.5000000 0.4339378 0.0909502), wk = 0.0023585 k( 419) = ( 0.5000000 0.4339378 0.1010558), wk = 0.0023585 k( 420) = ( 0.5000000 0.4339378 0.1111614), wk = 0.0023585 k( 421) = ( 0.5000000 0.4339378 0.1212670), wk = 0.0023585 k( 422) = ( 0.5000000 0.4339378 0.1313725), wk = 0.0023585 k( 423) = ( 0.5000000 0.4339378 0.1414781), wk = 0.0023585 k( 424) = ( 0.5000000 0.4339378 0.1515837), wk = 0.0023585 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0023585 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0023585 k( 4) = ( 0.0319149 -0.0000000 0.0000000), wk = 0.0023585 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0023585 k( 6) = ( 0.0531915 -0.0000000 0.0000000), wk = 0.0023585 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0023585 k( 8) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0023585 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0023585 k( 10) = ( 0.0957447 -0.0000000 0.0000000), wk = 0.0023585 k( 11) = ( 0.1063830 -0.0000000 0.0000000), wk = 0.0023585 k( 12) = ( 0.1170213 -0.0000000 0.0000000), wk = 0.0023585 k( 13) = ( 0.1276596 -0.0000000 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0023585 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0023585 k( 18) = ( 0.1808511 -0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.1914894 -0.0000000 0.0000000), wk = 0.0023585 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0023585 k( 21) = ( 0.2127660 -0.0000000 0.0000000), wk = 0.0023585 k( 22) = ( 0.2234043 -0.0000000 0.0000000), wk = 0.0023585 k( 23) = ( 0.2340425 -0.0000000 0.0000000), wk = 0.0023585 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0023585 k( 25) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0023585 k( 26) = ( 0.2659574 -0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0023585 k( 28) = ( 0.2872340 -0.0000000 0.0000000), wk = 0.0023585 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.3085106 -0.0000000 0.0000000), wk = 0.0023585 k( 31) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0023585 k( 32) = ( 0.3297872 -0.0000000 0.0000000), wk = 0.0023585 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0023585 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0023585 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0023585 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0023585 k( 37) = ( 0.3829787 -0.0000000 0.0000000), wk = 0.0023585 k( 38) = ( 0.3936170 -0.0000000 0.0000000), wk = 0.0023585 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0023585 k( 41) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0023585 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0023585 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0023585 k( 44) = ( 0.4574468 -0.0000000 0.0000000), wk = 0.0023585 k( 45) = ( 0.4680851 -0.0000000 0.0000000), wk = 0.0023585 k( 46) = ( 0.4787234 -0.0000000 0.0000000), wk = 0.0023585 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.0121951 0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.0243902 0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.0365854 0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.0487805 0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.0609756 -0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.0731707 0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.0853658 -0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.0975610 -0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.1097561 0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.1219512 -0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.1341463 0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.1463415 0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.1585366 0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.1707317 -0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.1829268 -0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.1951219 -0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.2073171 0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.2195122 0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.2317073 -0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.2439024 0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.2560976 0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.2682927 -0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.2804878 0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.2926829 -0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.3048781 0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.3170732 -0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.3292683 0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.3414634 0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.3536585 0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.3658537 0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.3780488 -0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.3902439 -0.0000000), wk = 0.0023585 k( 82) = ( 0.5000000 0.4024390 0.0000000), wk = 0.0023585 k( 83) = ( 0.5000000 0.4146342 0.0000000), wk = 0.0023585 k( 84) = ( 0.5000000 0.4268293 0.0000000), wk = 0.0023585 k( 85) = ( 0.5000000 0.4390244 -0.0000000), wk = 0.0023585 k( 86) = ( 0.5000000 0.4512195 0.0000000), wk = 0.0023585 k( 87) = ( 0.5000000 0.4634146 -0.0000000), wk = 0.0023585 k( 88) = ( 0.5000000 0.4756098 -0.0000000), wk = 0.0023585 k( 89) = ( 0.5000000 0.4878049 -0.0000000), wk = 0.0023585 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023585 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023585 k( 92) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0023585 k( 93) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0023585 k( 94) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0023585 k( 95) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0023585 k( 96) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0023585 k( 97) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0023585 k( 98) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0023585 k( 99) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0023585 k( 100) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0023585 k( 101) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0023585 k( 102) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0023585 k( 103) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0023585 k( 104) = ( 0.3617021 0.5000000 0.0000000), wk = 0.0023585 k( 105) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0023585 k( 106) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0023585 k( 107) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0023585 k( 108) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0023585 k( 109) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0023585 k( 110) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0023585 k( 111) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0023585 k( 112) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0023585 k( 113) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0023585 k( 114) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0023585 k( 115) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0023585 k( 116) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0023585 k( 117) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0023585 k( 118) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0023585 k( 119) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0023585 k( 120) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0023585 k( 121) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0023585 k( 122) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0023585 k( 123) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0023585 k( 124) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0023585 k( 125) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0023585 k( 126) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0023585 k( 127) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0023585 k( 128) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0023585 k( 129) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0023585 k( 130) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0023585 k( 131) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0023585 k( 132) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0023585 k( 133) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0023585 k( 134) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0023585 k( 135) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0023585 k( 136) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0023585 k( 137) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.4146342 0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0023585 k( 163) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0023585 k( 168) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0023585 k( 169) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0023585 k( 170) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0023585 k( 171) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0023585 k( 173) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0023585 k( 174) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0023585 k( 175) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0023585 k( 176) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0023585 k( 177) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0023585 k( 178) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0023585 k( 179) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0023585 k( 193) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023585 k( 194) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0023585 k( 195) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0023585 k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 198) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0023585 k( 199) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0023585 k( 200) = ( 0.0319149 -0.0000000 0.5000000), wk = 0.0023585 k( 201) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0023585 k( 202) = ( 0.0531915 -0.0000000 0.5000000), wk = 0.0023585 k( 203) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0023585 k( 204) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0023585 k( 205) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0023585 k( 206) = ( 0.0957447 -0.0000000 0.5000000), wk = 0.0023585 k( 207) = ( 0.1063830 -0.0000000 0.5000000), wk = 0.0023585 k( 208) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0023585 k( 209) = ( 0.1276596 -0.0000000 0.5000000), wk = 0.0023585 k( 210) = ( 0.1382979 -0.0000000 0.5000000), wk = 0.0023585 k( 211) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0023585 k( 212) = ( 0.1595745 -0.0000000 0.5000000), wk = 0.0023585 k( 213) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0023585 k( 214) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0023585 k( 215) = ( 0.1914894 -0.0000000 0.5000000), wk = 0.0023585 k( 216) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0023585 k( 217) = ( 0.2127660 -0.0000000 0.5000000), wk = 0.0023585 k( 218) = ( 0.2234043 -0.0000000 0.5000000), wk = 0.0023585 k( 219) = ( 0.2340425 -0.0000000 0.5000000), wk = 0.0023585 k( 220) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0023585 k( 221) = ( 0.2553191 -0.0000000 0.5000000), wk = 0.0023585 k( 222) = ( 0.2659574 -0.0000000 0.5000000), wk = 0.0023585 k( 223) = ( 0.2765957 -0.0000000 0.5000000), wk = 0.0023585 k( 224) = ( 0.2872340 -0.0000000 0.5000000), wk = 0.0023585 k( 225) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0023585 k( 226) = ( 0.3085106 -0.0000000 0.5000000), wk = 0.0023585 k( 227) = ( 0.3191489 -0.0000000 0.5000000), wk = 0.0023585 k( 228) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0023585 k( 229) = ( 0.3404255 -0.0000000 0.5000000), wk = 0.0023585 k( 230) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0023585 k( 231) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0023585 k( 232) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0023585 k( 233) = ( 0.3829787 -0.0000000 0.5000000), wk = 0.0023585 k( 234) = ( 0.3936170 -0.0000000 0.5000000), wk = 0.0023585 k( 235) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0023585 k( 236) = ( 0.4148936 -0.0000000 0.5000000), wk = 0.0023585 k( 237) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0023585 k( 238) = ( 0.4361702 -0.0000000 0.5000000), wk = 0.0023585 k( 239) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0023585 k( 240) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0023585 k( 241) = ( 0.4680851 -0.0000000 0.5000000), wk = 0.0023585 k( 242) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0023585 k( 243) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0023585 k( 244) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023585 k( 245) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023585 k( 246) = ( 0.5000000 0.0121951 0.5000000), wk = 0.0023585 k( 247) = ( 0.5000000 0.0243902 0.5000000), wk = 0.0023585 k( 248) = ( 0.5000000 0.0365854 0.5000000), wk = 0.0023585 k( 249) = ( 0.5000000 0.0487805 0.5000000), wk = 0.0023585 k( 250) = ( 0.5000000 0.0609756 0.5000000), wk = 0.0023585 k( 251) = ( 0.5000000 0.0731707 0.5000000), wk = 0.0023585 k( 252) = ( 0.5000000 0.0853658 0.5000000), wk = 0.0023585 k( 253) = ( 0.5000000 0.0975610 0.5000000), wk = 0.0023585 k( 254) = ( 0.5000000 0.1097561 0.5000000), wk = 0.0023585 k( 255) = ( 0.5000000 0.1219512 0.5000000), wk = 0.0023585 k( 256) = ( 0.5000000 0.1341463 0.5000000), wk = 0.0023585 k( 257) = ( 0.5000000 0.1463415 0.5000000), wk = 0.0023585 k( 258) = ( 0.5000000 0.1585366 0.5000000), wk = 0.0023585 k( 259) = ( 0.5000000 0.1707317 0.5000000), wk = 0.0023585 k( 260) = ( 0.5000000 0.1829268 0.5000000), wk = 0.0023585 k( 261) = ( 0.5000000 0.1951219 0.5000000), wk = 0.0023585 k( 262) = ( 0.5000000 0.2073171 0.5000000), wk = 0.0023585 k( 263) = ( 0.5000000 0.2195122 0.5000000), wk = 0.0023585 k( 264) = ( 0.5000000 0.2317073 0.5000000), wk = 0.0023585 k( 265) = ( 0.5000000 0.2439024 0.5000000), wk = 0.0023585 k( 266) = ( 0.5000000 0.2560976 0.5000000), wk = 0.0023585 k( 267) = ( 0.5000000 0.2682927 0.5000000), wk = 0.0023585 k( 268) = ( 0.5000000 0.2804878 0.5000000), wk = 0.0023585 k( 269) = ( 0.5000000 0.2926829 0.5000000), wk = 0.0023585 k( 270) = ( 0.5000000 0.3048781 0.5000000), wk = 0.0023585 k( 271) = ( 0.5000000 0.3170732 0.5000000), wk = 0.0023585 k( 272) = ( 0.5000000 0.3292683 0.5000000), wk = 0.0023585 k( 273) = ( 0.5000000 0.3414634 0.5000000), wk = 0.0023585 k( 274) = ( 0.5000000 0.3536585 0.5000000), wk = 0.0023585 k( 275) = ( 0.5000000 0.3658537 0.5000000), wk = 0.0023585 k( 276) = ( 0.5000000 0.3780488 0.5000000), wk = 0.0023585 k( 277) = ( 0.5000000 0.3902439 0.5000000), wk = 0.0023585 k( 278) = ( 0.5000000 0.4024390 0.5000000), wk = 0.0023585 k( 279) = ( 0.5000000 0.4146342 0.5000000), wk = 0.0023585 k( 280) = ( 0.5000000 0.4268293 0.5000000), wk = 0.0023585 k( 281) = ( 0.5000000 0.4390244 0.5000000), wk = 0.0023585 k( 282) = ( 0.5000000 0.4512195 0.5000000), wk = 0.0023585 k( 283) = ( 0.5000000 0.4634146 0.5000000), wk = 0.0023585 k( 284) = ( 0.5000000 0.4756098 0.5000000), wk = 0.0023585 k( 285) = ( 0.5000000 0.4878049 0.5000000), wk = 0.0023585 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 288) = ( 0.4893617 0.5000000 0.5000000), wk = 0.0023585 k( 289) = ( 0.4787234 0.5000000 0.5000000), wk = 0.0023585 k( 290) = ( 0.4680851 0.5000000 0.5000000), wk = 0.0023585 k( 291) = ( 0.4574468 0.5000000 0.5000000), wk = 0.0023585 k( 292) = ( 0.4468085 0.5000000 0.5000000), wk = 0.0023585 k( 293) = ( 0.4361702 0.5000000 0.5000000), wk = 0.0023585 k( 294) = ( 0.4255319 0.5000000 0.5000000), wk = 0.0023585 k( 295) = ( 0.4148936 0.5000000 0.5000000), wk = 0.0023585 k( 296) = ( 0.4042553 0.5000000 0.5000000), wk = 0.0023585 k( 297) = ( 0.3936170 0.5000000 0.5000000), wk = 0.0023585 k( 298) = ( 0.3829787 0.5000000 0.5000000), wk = 0.0023585 k( 299) = ( 0.3723404 0.5000000 0.5000000), wk = 0.0023585 k( 300) = ( 0.3617021 0.5000000 0.5000000), wk = 0.0023585 k( 301) = ( 0.3510638 0.5000000 0.5000000), wk = 0.0023585 k( 302) = ( 0.3404255 0.5000000 0.5000000), wk = 0.0023585 k( 303) = ( 0.3297872 0.5000000 0.5000000), wk = 0.0023585 k( 304) = ( 0.3191489 0.5000000 0.5000000), wk = 0.0023585 k( 305) = ( 0.3085106 0.5000000 0.5000000), wk = 0.0023585 k( 306) = ( 0.2978723 0.5000000 0.5000000), wk = 0.0023585 k( 307) = ( 0.2872340 0.5000000 0.5000000), wk = 0.0023585 k( 308) = ( 0.2765957 0.5000000 0.5000000), wk = 0.0023585 k( 309) = ( 0.2659574 0.5000000 0.5000000), wk = 0.0023585 k( 310) = ( 0.2553191 0.5000000 0.5000000), wk = 0.0023585 k( 311) = ( 0.2446809 0.5000000 0.5000000), wk = 0.0023585 k( 312) = ( 0.2340425 0.5000000 0.5000000), wk = 0.0023585 k( 313) = ( 0.2234043 0.5000000 0.5000000), wk = 0.0023585 k( 314) = ( 0.2127660 0.5000000 0.5000000), wk = 0.0023585 k( 315) = ( 0.2021277 0.5000000 0.5000000), wk = 0.0023585 k( 316) = ( 0.1914894 0.5000000 0.5000000), wk = 0.0023585 k( 317) = ( 0.1808511 0.5000000 0.5000000), wk = 0.0023585 k( 318) = ( 0.1702128 0.5000000 0.5000000), wk = 0.0023585 k( 319) = ( 0.1595745 0.5000000 0.5000000), wk = 0.0023585 k( 320) = ( 0.1489362 0.5000000 0.5000000), wk = 0.0023585 k( 321) = ( 0.1382979 0.5000000 0.5000000), wk = 0.0023585 k( 322) = ( 0.1276596 0.5000000 0.5000000), wk = 0.0023585 k( 323) = ( 0.1170213 0.5000000 0.5000000), wk = 0.0023585 k( 324) = ( 0.1063830 0.5000000 0.5000000), wk = 0.0023585 k( 325) = ( 0.0957447 0.5000000 0.5000000), wk = 0.0023585 k( 326) = ( 0.0851064 0.5000000 0.5000000), wk = 0.0023585 k( 327) = ( 0.0744681 0.5000000 0.5000000), wk = 0.0023585 k( 328) = ( 0.0638298 0.5000000 0.5000000), wk = 0.0023585 k( 329) = ( 0.0531915 0.5000000 0.5000000), wk = 0.0023585 k( 330) = ( 0.0425532 0.5000000 0.5000000), wk = 0.0023585 k( 331) = ( 0.0319149 0.5000000 0.5000000), wk = 0.0023585 k( 332) = ( 0.0212766 0.5000000 0.5000000), wk = 0.0023585 k( 333) = ( 0.0106383 0.5000000 0.5000000), wk = 0.0023585 k( 334) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 335) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 336) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0023585 k( 337) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0023585 k( 338) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0023585 k( 339) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0023585 k( 340) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0023585 k( 341) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0023585 k( 342) = ( 0.0000000 0.4146342 0.5000000), wk = 0.0023585 k( 343) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0023585 k( 344) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0023585 k( 345) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0023585 k( 346) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0023585 k( 347) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0023585 k( 348) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0023585 k( 349) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0023585 k( 350) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0023585 k( 351) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0023585 k( 352) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0023585 k( 353) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0023585 k( 354) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0023585 k( 355) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0023585 k( 356) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0023585 k( 357) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0023585 k( 358) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0023585 k( 359) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0023585 k( 360) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0023585 k( 361) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0023585 k( 362) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0023585 k( 363) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0023585 k( 364) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0023585 k( 365) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0023585 k( 366) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0023585 k( 367) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0023585 k( 368) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0023585 k( 369) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0023585 k( 370) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0023585 k( 371) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0023585 k( 372) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0023585 k( 373) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0023585 k( 374) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0023585 k( 375) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0023585 k( 376) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 377) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023585 k( 378) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0023585 k( 379) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0023585 k( 380) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023585 k( 381) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0023585 k( 382) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023585 k( 383) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023585 k( 384) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0023585 k( 385) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0023585 k( 386) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023585 k( 387) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023585 k( 388) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0023585 k( 389) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023585 k( 390) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0023585 k( 391) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0023585 k( 392) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 393) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023585 k( 394) = ( 0.5000000 -0.0000000 0.4666667), wk = 0.0023585 k( 395) = ( 0.5000000 -0.0000000 0.4333333), wk = 0.0023585 k( 396) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0023585 k( 397) = ( 0.5000000 -0.0000000 0.3666667), wk = 0.0023585 k( 398) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0023585 k( 399) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0023585 k( 400) = ( 0.5000000 -0.0000000 0.2666667), wk = 0.0023585 k( 401) = ( 0.5000000 -0.0000000 0.2333333), wk = 0.0023585 k( 402) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0023585 k( 403) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0023585 k( 404) = ( 0.5000000 -0.0000000 0.1333333), wk = 0.0023585 k( 405) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0023585 k( 406) = ( 0.5000000 -0.0000000 0.0666667), wk = 0.0023585 k( 407) = ( 0.5000000 -0.0000000 0.0333333), wk = 0.0023585 k( 408) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 409) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023585 k( 410) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0023585 k( 411) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0023585 k( 412) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023585 k( 413) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0023585 k( 414) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0023585 k( 415) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023585 k( 416) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0023585 k( 417) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0023585 k( 418) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023585 k( 419) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0023585 k( 420) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0023585 k( 421) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023585 k( 422) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0023585 k( 423) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0023585 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 Dense grid: 146611 G-vectors FFT dimensions: ( 45, 50, 144) Smooth grid: 40663 G-vectors FFT dimensions: ( 27, 32, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 332, 58) NL pseudopotentials 0.52 Mb ( 166, 204) Each V/rho on FFT grid 0.14 Mb ( 9000) Each G-vector array 0.03 Mb ( 4072) G-vector shells 0.02 Mb ( 1974) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 332, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 204, 2, 58) The potential is recalculated from file : ./PtCl2.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 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.5 secs Computing kpt #: 10 total cpu time spent up to now is 10.2 secs Computing kpt #: 11 total cpu time spent up to now is 10.9 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.9 secs Computing kpt #: 16 total cpu time spent up to now is 14.7 secs Computing kpt #: 17 total cpu time spent up to now is 15.4 secs Computing kpt #: 18 total cpu time spent up to now is 16.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.2 secs Computing kpt #: 20 total cpu time spent up to now is 18.1 secs Computing kpt #: 21 total cpu time spent up to now is 19.0 secs Computing kpt #: 22 total cpu time spent up to now is 19.8 secs Computing kpt #: 23 total cpu time spent up to now is 20.6 secs Computing kpt #: 24 total cpu time spent up to now is 21.5 secs Computing kpt #: 25 total cpu time spent up to now is 22.3 secs Computing kpt #: 26 total cpu time spent up to now is 23.3 secs Computing kpt #: 27 total cpu time spent up to now is 24.2 secs Computing kpt #: 28 total cpu time spent up to now is 25.2 secs Computing kpt #: 29 total cpu time spent up to now is 26.2 secs Computing kpt #: 30 total cpu time spent up to now is 27.1 secs Computing kpt #: 31 total cpu time spent up to now is 28.0 secs Computing kpt #: 32 total cpu time spent up to now is 28.7 secs Computing kpt #: 33 total cpu time spent up to now is 29.5 secs Computing kpt #: 34 total cpu time spent up to now is 30.2 secs Computing kpt #: 35 total cpu time spent up to now is 30.9 secs Computing kpt #: 36 total cpu time spent up to now is 31.6 secs Computing kpt #: 37 total cpu time spent up to now is 32.3 secs Computing kpt #: 38 total cpu time spent up to now is 33.0 secs Computing kpt #: 39 total cpu time spent up to now is 33.6 secs Computing kpt #: 40 total cpu time spent up to now is 34.3 secs Computing kpt #: 41 total cpu time spent up to now is 34.9 secs Computing kpt #: 42 total cpu time spent up to now is 35.6 secs Computing kpt #: 43 total cpu time spent up to now is 36.2 secs Computing kpt #: 44 total cpu time spent up to now is 36.9 secs Computing kpt #: 45 total cpu time spent up to now is 37.6 secs Computing kpt #: 46 total cpu time spent up to now is 38.3 secs Computing kpt #: 47 total cpu time spent up to now is 39.2 secs Computing kpt #: 48 total cpu time spent up to now is 39.9 secs Computing kpt #: 49 total cpu time spent up to now is 40.5 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.3 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.0 secs Computing kpt #: 52 total cpu time spent up to now is 45.2 secs Computing kpt #: 53 total cpu time spent up to now is 46.4 secs Computing kpt #: 54 total cpu time spent up to now is 47.5 secs Computing kpt #: 55 total cpu time spent up to now is 48.6 secs Computing kpt #: 56 total cpu time spent up to now is 49.5 secs Computing kpt #: 57 total cpu time spent up to now is 50.4 secs Computing kpt #: 58 total cpu time spent up to now is 51.3 secs Computing kpt #: 59 total cpu time spent up to now is 52.2 secs Computing kpt #: 60 total cpu time spent up to now is 53.1 secs Computing kpt #: 61 total cpu time spent up to now is 53.9 secs Computing kpt #: 62 total cpu time spent up to now is 54.8 secs Computing kpt #: 63 total cpu time spent up to now is 55.7 secs Computing kpt #: 64 total cpu time spent up to now is 56.5 secs Computing kpt #: 65 total cpu time spent up to now is 57.3 secs Computing kpt #: 66 total cpu time spent up to now is 58.2 secs Computing kpt #: 67 total cpu time spent up to now is 59.1 secs Computing kpt #: 68 total cpu time spent up to now is 59.8 secs Computing kpt #: 69 total cpu time spent up to now is 60.6 secs Computing kpt #: 70 total cpu time spent up to now is 61.3 secs Computing kpt #: 71 total cpu time spent up to now is 62.0 secs Computing kpt #: 72 total cpu time spent up to now is 62.7 secs Computing kpt #: 73 total cpu time spent up to now is 63.4 secs Computing kpt #: 74 total cpu time spent up to now is 64.1 secs Computing kpt #: 75 total cpu time spent up to now is 64.8 secs Computing kpt #: 76 total cpu time spent up to now is 65.4 secs Computing kpt #: 77 total cpu time spent up to now is 66.1 secs Computing kpt #: 78 total cpu time spent up to now is 66.8 secs Computing kpt #: 79 total cpu time spent up to now is 67.5 secs Computing kpt #: 80 total cpu time spent up to now is 68.2 secs Computing kpt #: 81 total cpu time spent up to now is 68.8 secs Computing kpt #: 82 total cpu time spent up to now is 69.5 secs Computing kpt #: 83 total cpu time spent up to now is 70.2 secs Computing kpt #: 84 total cpu time spent up to now is 70.9 secs Computing kpt #: 85 total cpu time spent up to now is 71.6 secs Computing kpt #: 86 total cpu time spent up to now is 72.3 secs Computing kpt #: 87 total cpu time spent up to now is 73.0 secs Computing kpt #: 88 total cpu time spent up to now is 73.7 secs Computing kpt #: 89 total cpu time spent up to now is 74.4 secs Computing kpt #: 90 total cpu time spent up to now is 75.1 secs Computing kpt #: 91 total cpu time spent up to now is 75.8 secs Computing kpt #: 92 total cpu time spent up to now is 76.5 secs Computing kpt #: 93 total cpu time spent up to now is 77.2 secs Computing kpt #: 94 total cpu time spent up to now is 77.9 secs Computing kpt #: 95 total cpu time spent up to now is 78.7 secs Computing kpt #: 96 total cpu time spent up to now is 79.4 secs Computing kpt #: 97 total cpu time spent up to now is 80.1 secs Computing kpt #: 98 total cpu time spent up to now is 80.8 secs Computing kpt #: 99 total cpu time spent up to now is 81.6 secs Computing kpt #: 100 total cpu time spent up to now is 82.3 secs Computing kpt #: 101 total cpu time spent up to now is 83.0 secs Computing kpt #: 102 total cpu time spent up to now is 83.8 secs Computing kpt #: 103 total cpu time spent up to now is 84.5 secs Computing kpt #: 104 total cpu time spent up to now is 85.2 secs Computing kpt #: 105 total cpu time spent up to now is 86.0 secs Computing kpt #: 106 total cpu time spent up to now is 86.7 secs Computing kpt #: 107 total cpu time spent up to now is 87.5 secs Computing kpt #: 108 total cpu time spent up to now is 88.2 secs Computing kpt #: 109 total cpu time spent up to now is 89.0 secs Computing kpt #: 110 total cpu time spent up to now is 89.7 secs Computing kpt #: 111 total cpu time spent up to now is 90.4 secs Computing kpt #: 112 total cpu time spent up to now is 91.2 secs Computing kpt #: 113 total cpu time spent up to now is 91.9 secs Computing kpt #: 114 total cpu time spent up to now is 92.6 secs Computing kpt #: 115 total cpu time spent up to now is 93.4 secs Computing kpt #: 116 total cpu time spent up to now is 94.1 secs Computing kpt #: 117 total cpu time spent up to now is 94.8 secs Computing kpt #: 118 total cpu time spent up to now is 95.8 secs Computing kpt #: 119 total cpu time spent up to now is 96.5 secs Computing kpt #: 120 total cpu time spent up to now is 97.3 secs Computing kpt #: 121 total cpu time spent up to now is 98.0 secs Computing kpt #: 122 total cpu time spent up to now is 98.8 secs Computing kpt #: 123 total cpu time spent up to now is 99.5 secs Computing kpt #: 124 total cpu time spent up to now is 100.3 secs Computing kpt #: 125 total cpu time spent up to now is 101.0 secs Computing kpt #: 126 total cpu time spent up to now is 101.7 secs Computing kpt #: 127 total cpu time spent up to now is 102.5 secs Computing kpt #: 128 total cpu time spent up to now is 103.2 secs Computing kpt #: 129 total cpu time spent up to now is 104.0 secs Computing kpt #: 130 total cpu time spent up to now is 104.7 secs Computing kpt #: 131 total cpu time spent up to now is 105.5 secs Computing kpt #: 132 total cpu time spent up to now is 106.2 secs Computing kpt #: 133 total cpu time spent up to now is 106.9 secs Computing kpt #: 134 total cpu time spent up to now is 107.7 secs Computing kpt #: 135 total cpu time spent up to now is 108.4 secs Computing kpt #: 136 total cpu time spent up to now is 109.1 secs Computing kpt #: 137 total cpu time spent up to now is 109.8 secs Computing kpt #: 138 total cpu time spent up to now is 110.5 secs Computing kpt #: 139 total cpu time spent up to now is 111.2 secs Computing kpt #: 140 total cpu time spent up to now is 111.9 secs Computing kpt #: 141 total cpu time spent up to now is 112.7 secs Computing kpt #: 142 total cpu time spent up to now is 113.7 secs Computing kpt #: 143 total cpu time spent up to now is 114.4 secs Computing kpt #: 144 total cpu time spent up to now is 115.1 secs Computing kpt #: 145 total cpu time spent up to now is 115.8 secs Computing kpt #: 146 total cpu time spent up to now is 116.5 secs Computing kpt #: 147 total cpu time spent up to now is 117.2 secs Computing kpt #: 148 total cpu time spent up to now is 117.9 secs Computing kpt #: 149 total cpu time spent up to now is 118.6 secs Computing kpt #: 150 total cpu time spent up to now is 119.4 secs Computing kpt #: 151 total cpu time spent up to now is 120.1 secs Computing kpt #: 152 total cpu time spent up to now is 120.8 secs Computing kpt #: 153 total cpu time spent up to now is 121.6 secs Computing kpt #: 154 total cpu time spent up to now is 122.4 secs Computing kpt #: 155 total cpu time spent up to now is 123.2 secs Computing kpt #: 156 total cpu time spent up to now is 124.0 secs Computing kpt #: 157 total cpu time spent up to now is 124.7 secs Computing kpt #: 158 total cpu time spent up to now is 125.4 secs Computing kpt #: 159 total cpu time spent up to now is 126.1 secs Computing kpt #: 160 total cpu time spent up to now is 126.9 secs Computing kpt #: 161 total cpu time spent up to now is 127.6 secs Computing kpt #: 162 total cpu time spent up to now is 128.3 secs Computing kpt #: 163 total cpu time spent up to now is 129.0 secs Computing kpt #: 164 total cpu time spent up to now is 129.8 secs Computing kpt #: 165 total cpu time spent up to now is 130.5 secs Computing kpt #: 166 total cpu time spent up to now is 131.3 secs Computing kpt #: 167 total cpu time spent up to now is 132.0 secs Computing kpt #: 168 total cpu time spent up to now is 132.7 secs Computing kpt #: 169 total cpu time spent up to now is 133.4 secs Computing kpt #: 170 total cpu time spent up to now is 134.1 secs Computing kpt #: 171 total cpu time spent up to now is 134.9 secs Computing kpt #: 172 total cpu time spent up to now is 135.6 secs Computing kpt #: 173 total cpu time spent up to now is 136.3 secs Computing kpt #: 174 total cpu time spent up to now is 137.1 secs Computing kpt #: 175 total cpu time spent up to now is 137.8 secs Computing kpt #: 176 total cpu time spent up to now is 138.5 secs Computing kpt #: 177 total cpu time spent up to now is 139.2 secs Computing kpt #: 178 total cpu time spent up to now is 140.0 secs Computing kpt #: 179 total cpu time spent up to now is 140.7 secs Computing kpt #: 180 total cpu time spent up to now is 141.4 secs Computing kpt #: 181 total cpu time spent up to now is 142.1 secs Computing kpt #: 182 total cpu time spent up to now is 142.9 secs Computing kpt #: 183 total cpu time spent up to now is 143.6 secs Computing kpt #: 184 total cpu time spent up to now is 144.3 secs Computing kpt #: 185 total cpu time spent up to now is 145.0 secs Computing kpt #: 186 total cpu time spent up to now is 145.7 secs Computing kpt #: 187 total cpu time spent up to now is 146.5 secs Computing kpt #: 188 total cpu time spent up to now is 147.2 secs Computing kpt #: 189 total cpu time spent up to now is 147.9 secs Computing kpt #: 190 total cpu time spent up to now is 148.6 secs Computing kpt #: 191 total cpu time spent up to now is 149.3 secs Computing kpt #: 192 total cpu time spent up to now is 150.1 secs Computing kpt #: 193 total cpu time spent up to now is 150.8 secs Computing kpt #: 194 total cpu time spent up to now is 151.5 secs Computing kpt #: 195 total cpu time spent up to now is 152.3 secs Computing kpt #: 196 total cpu time spent up to now is 152.8 secs Computing kpt #: 197 total cpu time spent up to now is 153.4 secs Computing kpt #: 198 total cpu time spent up to now is 154.1 secs Computing kpt #: 199 total cpu time spent up to now is 154.8 secs Computing kpt #: 200 total cpu time spent up to now is 155.4 secs Computing kpt #: 201 total cpu time spent up to now is 156.1 secs Computing kpt #: 202 total cpu time spent up to now is 156.8 secs Computing kpt #: 203 total cpu time spent up to now is 157.5 secs Computing kpt #: 204 total cpu time spent up to now is 158.2 secs Computing kpt #: 205 total cpu time spent up to now is 158.9 secs Computing kpt #: 206 total cpu time spent up to now is 159.6 secs Computing kpt #: 207 total cpu time spent up to now is 160.3 secs Computing kpt #: 208 total cpu time spent up to now is 161.1 secs Computing kpt #: 209 total cpu time spent up to now is 161.8 secs Computing kpt #: 210 total cpu time spent up to now is 162.5 secs Computing kpt #: 211 total cpu time spent up to now is 163.5 secs Computing kpt #: 212 total cpu time spent up to now is 164.2 secs Computing kpt #: 213 total cpu time spent up to now is 165.1 secs Computing kpt #: 214 total cpu time spent up to now is 166.0 secs Computing kpt #: 215 total cpu time spent up to now is 166.9 secs Computing kpt #: 216 total cpu time spent up to now is 167.6 secs Computing kpt #: 217 total cpu time spent up to now is 168.3 secs Computing kpt #: 218 total cpu time spent up to now is 169.0 secs Computing kpt #: 219 total cpu time spent up to now is 169.7 secs Computing kpt #: 220 total cpu time spent up to now is 170.5 secs Computing kpt #: 221 total cpu time spent up to now is 171.2 secs Computing kpt #: 222 total cpu time spent up to now is 171.9 secs Computing kpt #: 223 total cpu time spent up to now is 172.6 secs Computing kpt #: 224 total cpu time spent up to now is 173.4 secs Computing kpt #: 225 total cpu time spent up to now is 174.1 secs Computing kpt #: 226 total cpu time spent up to now is 174.7 secs Computing kpt #: 227 total cpu time spent up to now is 175.4 secs Computing kpt #: 228 total cpu time spent up to now is 176.1 secs Computing kpt #: 229 total cpu time spent up to now is 176.8 secs Computing kpt #: 230 total cpu time spent up to now is 177.5 secs Computing kpt #: 231 total cpu time spent up to now is 178.2 secs Computing kpt #: 232 total cpu time spent up to now is 178.8 secs Computing kpt #: 233 total cpu time spent up to now is 179.6 secs Computing kpt #: 234 total cpu time spent up to now is 180.2 secs Computing kpt #: 235 total cpu time spent up to now is 180.9 secs Computing kpt #: 236 total cpu time spent up to now is 181.6 secs Computing kpt #: 237 total cpu time spent up to now is 182.3 secs Computing kpt #: 238 total cpu time spent up to now is 183.0 secs Computing kpt #: 239 total cpu time spent up to now is 183.6 secs Computing kpt #: 240 total cpu time spent up to now is 184.3 secs Computing kpt #: 241 total cpu time spent up to now is 185.0 secs Computing kpt #: 242 total cpu time spent up to now is 185.7 secs Computing kpt #: 243 total cpu time spent up to now is 186.3 secs Computing kpt #: 244 total cpu time spent up to now is 187.1 secs Computing kpt #: 245 total cpu time spent up to now is 187.7 secs Computing kpt #: 246 total cpu time spent up to now is 188.4 secs Computing kpt #: 247 total cpu time spent up to now is 189.1 secs Computing kpt #: 248 total cpu time spent up to now is 189.8 secs Computing kpt #: 249 total cpu time spent up to now is 190.6 secs Computing kpt #: 250 total cpu time spent up to now is 191.3 secs Computing kpt #: 251 total cpu time spent up to now is 192.1 secs Computing kpt #: 252 total cpu time spent up to now is 192.7 secs Computing kpt #: 253 total cpu time spent up to now is 193.5 secs Computing kpt #: 254 total cpu time spent up to now is 194.2 secs Computing kpt #: 255 total cpu time spent up to now is 194.9 secs Computing kpt #: 256 total cpu time spent up to now is 195.7 secs Computing kpt #: 257 total cpu time spent up to now is 196.4 secs Computing kpt #: 258 total cpu time spent up to now is 197.1 secs Computing kpt #: 259 total cpu time spent up to now is 197.8 secs Computing kpt #: 260 total cpu time spent up to now is 198.5 secs Computing kpt #: 261 total cpu time spent up to now is 199.2 secs Computing kpt #: 262 total cpu time spent up to now is 199.8 secs Computing kpt #: 263 total cpu time spent up to now is 200.5 secs Computing kpt #: 264 total cpu time spent up to now is 201.2 secs Computing kpt #: 265 total cpu time spent up to now is 201.9 secs Computing kpt #: 266 total cpu time spent up to now is 202.5 secs Computing kpt #: 267 total cpu time spent up to now is 203.2 secs Computing kpt #: 268 total cpu time spent up to now is 203.9 secs Computing kpt #: 269 total cpu time spent up to now is 204.6 secs Computing kpt #: 270 total cpu time spent up to now is 205.2 secs Computing kpt #: 271 total cpu time spent up to now is 205.9 secs Computing kpt #: 272 total cpu time spent up to now is 206.6 secs Computing kpt #: 273 total cpu time spent up to now is 207.3 secs Computing kpt #: 274 total cpu time spent up to now is 208.0 secs Computing kpt #: 275 total cpu time spent up to now is 208.7 secs Computing kpt #: 276 total cpu time spent up to now is 209.4 secs Computing kpt #: 277 total cpu time spent up to now is 210.1 secs Computing kpt #: 278 total cpu time spent up to now is 210.8 secs Computing kpt #: 279 total cpu time spent up to now is 211.5 secs Computing kpt #: 280 total cpu time spent up to now is 212.2 secs Computing kpt #: 281 total cpu time spent up to now is 212.9 secs Computing kpt #: 282 total cpu time spent up to now is 213.6 secs Computing kpt #: 283 total cpu time spent up to now is 214.3 secs Computing kpt #: 284 total cpu time spent up to now is 215.0 secs Computing kpt #: 285 total cpu time spent up to now is 215.8 secs Computing kpt #: 286 total cpu time spent up to now is 216.4 secs Computing kpt #: 287 total cpu time spent up to now is 217.1 secs Computing kpt #: 288 total cpu time spent up to now is 217.8 secs Computing kpt #: 289 total cpu time spent up to now is 218.5 secs Computing kpt #: 290 total cpu time spent up to now is 219.2 secs Computing kpt #: 291 total cpu time spent up to now is 219.9 secs Computing kpt #: 292 total cpu time spent up to now is 220.5 secs Computing kpt #: 293 total cpu time spent up to now is 221.2 secs Computing kpt #: 294 total cpu time spent up to now is 221.9 secs Computing kpt #: 295 total cpu time spent up to now is 222.6 secs Computing kpt #: 296 total cpu time spent up to now is 223.3 secs Computing kpt #: 297 total cpu time spent up to now is 224.0 secs Computing kpt #: 298 total cpu time spent up to now is 224.7 secs Computing kpt #: 299 total cpu time spent up to now is 225.4 secs Computing kpt #: 300 total cpu time spent up to now is 226.1 secs Computing kpt #: 301 total cpu time spent up to now is 226.8 secs Computing kpt #: 302 total cpu time spent up to now is 227.5 secs Computing kpt #: 303 total cpu time spent up to now is 228.2 secs Computing kpt #: 304 total cpu time spent up to now is 228.9 secs Computing kpt #: 305 total cpu time spent up to now is 229.6 secs Computing kpt #: 306 total cpu time spent up to now is 230.3 secs Computing kpt #: 307 total cpu time spent up to now is 231.0 secs Computing kpt #: 308 total cpu time spent up to now is 231.8 secs Computing kpt #: 309 total cpu time spent up to now is 232.5 secs Computing kpt #: 310 total cpu time spent up to now is 233.1 secs Computing kpt #: 311 total cpu time spent up to now is 233.8 secs Computing kpt #: 312 total cpu time spent up to now is 234.5 secs Computing kpt #: 313 total cpu time spent up to now is 235.2 secs Computing kpt #: 314 total cpu time spent up to now is 235.9 secs Computing kpt #: 315 total cpu time spent up to now is 236.6 secs Computing kpt #: 316 total cpu time spent up to now is 237.3 secs Computing kpt #: 317 total cpu time spent up to now is 238.0 secs Computing kpt #: 318 total cpu time spent up to now is 238.6 secs Computing kpt #: 319 total cpu time spent up to now is 239.3 secs Computing kpt #: 320 total cpu time spent up to now is 240.0 secs Computing kpt #: 321 total cpu time spent up to now is 240.7 secs Computing kpt #: 322 total cpu time spent up to now is 241.5 secs Computing kpt #: 323 total cpu time spent up to now is 242.2 secs Computing kpt #: 324 total cpu time spent up to now is 243.0 secs Computing kpt #: 325 total cpu time spent up to now is 243.7 secs Computing kpt #: 326 total cpu time spent up to now is 244.5 secs Computing kpt #: 327 total cpu time spent up to now is 245.2 secs Computing kpt #: 328 total cpu time spent up to now is 245.9 secs Computing kpt #: 329 total cpu time spent up to now is 246.7 secs Computing kpt #: 330 total cpu time spent up to now is 247.4 secs Computing kpt #: 331 total cpu time spent up to now is 248.2 secs Computing kpt #: 332 total cpu time spent up to now is 248.9 secs Computing kpt #: 333 total cpu time spent up to now is 249.7 secs Computing kpt #: 334 total cpu time spent up to now is 250.4 secs Computing kpt #: 335 total cpu time spent up to now is 251.2 secs Computing kpt #: 336 total cpu time spent up to now is 251.9 secs Computing kpt #: 337 total cpu time spent up to now is 252.6 secs Computing kpt #: 338 total cpu time spent up to now is 253.2 secs Computing kpt #: 339 total cpu time spent up to now is 253.9 secs Computing kpt #: 340 total cpu time spent up to now is 254.5 secs Computing kpt #: 341 total cpu time spent up to now is 255.2 secs Computing kpt #: 342 total cpu time spent up to now is 255.9 secs Computing kpt #: 343 total cpu time spent up to now is 256.5 secs Computing kpt #: 344 total cpu time spent up to now is 257.1 secs Computing kpt #: 345 total cpu time spent up to now is 257.8 secs Computing kpt #: 346 total cpu time spent up to now is 258.4 secs Computing kpt #: 347 total cpu time spent up to now is 259.1 secs Computing kpt #: 348 total cpu time spent up to now is 259.7 secs Computing kpt #: 349 total cpu time spent up to now is 260.3 secs Computing kpt #: 350 total cpu time spent up to now is 261.0 secs Computing kpt #: 351 total cpu time spent up to now is 261.6 secs Computing kpt #: 352 total cpu time spent up to now is 262.3 secs Computing kpt #: 353 total cpu time spent up to now is 262.9 secs Computing kpt #: 354 total cpu time spent up to now is 263.6 secs Computing kpt #: 355 total cpu time spent up to now is 264.2 secs Computing kpt #: 356 total cpu time spent up to now is 264.8 secs Computing kpt #: 357 total cpu time spent up to now is 265.5 secs Computing kpt #: 358 total cpu time spent up to now is 266.1 secs Computing kpt #: 359 total cpu time spent up to now is 266.8 secs Computing kpt #: 360 total cpu time spent up to now is 267.4 secs Computing kpt #: 361 total cpu time spent up to now is 268.0 secs Computing kpt #: 362 total cpu time spent up to now is 268.7 secs Computing kpt #: 363 total cpu time spent up to now is 269.3 secs Computing kpt #: 364 total cpu time spent up to now is 269.9 secs Computing kpt #: 365 total cpu time spent up to now is 270.5 secs Computing kpt #: 366 total cpu time spent up to now is 271.0 secs Computing kpt #: 367 total cpu time spent up to now is 271.6 secs Computing kpt #: 368 total cpu time spent up to now is 272.2 secs Computing kpt #: 369 total cpu time spent up to now is 272.7 secs Computing kpt #: 370 total cpu time spent up to now is 273.3 secs Computing kpt #: 371 total cpu time spent up to now is 273.9 secs Computing kpt #: 372 total cpu time spent up to now is 274.4 secs Computing kpt #: 373 total cpu time spent up to now is 275.0 secs Computing kpt #: 374 total cpu time spent up to now is 275.6 secs Computing kpt #: 375 total cpu time spent up to now is 276.1 secs Computing kpt #: 376 total cpu time spent up to now is 276.7 secs Computing kpt #: 377 total cpu time spent up to now is 277.4 secs Computing kpt #: 378 total cpu time spent up to now is 278.1 secs Computing kpt #: 379 total cpu time spent up to now is 278.7 secs Computing kpt #: 380 total cpu time spent up to now is 279.4 secs Computing kpt #: 381 total cpu time spent up to now is 280.1 secs Computing kpt #: 382 total cpu time spent up to now is 280.8 secs Computing kpt #: 383 total cpu time spent up to now is 281.4 secs Computing kpt #: 384 total cpu time spent up to now is 282.1 secs Computing kpt #: 385 total cpu time spent up to now is 282.8 secs Computing kpt #: 386 total cpu time spent up to now is 283.5 secs Computing kpt #: 387 total cpu time spent up to now is 284.1 secs Computing kpt #: 388 total cpu time spent up to now is 284.8 secs Computing kpt #: 389 total cpu time spent up to now is 285.5 secs Computing kpt #: 390 total cpu time spent up to now is 286.3 secs Computing kpt #: 391 total cpu time spent up to now is 287.0 secs Computing kpt #: 392 total cpu time spent up to now is 287.7 secs Computing kpt #: 393 total cpu time spent up to now is 288.5 secs Computing kpt #: 394 total cpu time spent up to now is 289.2 secs Computing kpt #: 395 total cpu time spent up to now is 289.9 secs Computing kpt #: 396 total cpu time spent up to now is 290.5 secs Computing kpt #: 397 total cpu time spent up to now is 291.2 secs Computing kpt #: 398 total cpu time spent up to now is 291.9 secs Computing kpt #: 399 total cpu time spent up to now is 292.6 secs Computing kpt #: 400 total cpu time spent up to now is 293.2 secs Computing kpt #: 401 total cpu time spent up to now is 293.9 secs Computing kpt #: 402 total cpu time spent up to now is 294.6 secs Computing kpt #: 403 total cpu time spent up to now is 295.4 secs Computing kpt #: 404 total cpu time spent up to now is 296.1 secs Computing kpt #: 405 total cpu time spent up to now is 296.9 secs Computing kpt #: 406 total cpu time spent up to now is 297.8 secs Computing kpt #: 407 total cpu time spent up to now is 299.0 secs Computing kpt #: 408 total cpu time spent up to now is 299.6 secs Computing kpt #: 409 total cpu time spent up to now is 300.3 secs Computing kpt #: 410 total cpu time spent up to now is 301.0 secs Computing kpt #: 411 total cpu time spent up to now is 301.7 secs Computing kpt #: 412 total cpu time spent up to now is 302.4 secs Computing kpt #: 413 total cpu time spent up to now is 303.1 secs Computing kpt #: 414 total cpu time spent up to now is 303.8 secs Computing kpt #: 415 total cpu time spent up to now is 304.5 secs Computing kpt #: 416 total cpu time spent up to now is 305.2 secs Computing kpt #: 417 total cpu time spent up to now is 305.9 secs Computing kpt #: 418 total cpu time spent up to now is 306.6 secs Computing kpt #: 419 total cpu time spent up to now is 307.4 secs Computing kpt #: 420 total cpu time spent up to now is 308.1 secs Computing kpt #: 421 total cpu time spent up to now is 308.8 secs Computing kpt #: 422 total cpu time spent up to now is 309.5 secs Computing kpt #: 423 total cpu time spent up to now is 310.2 secs Computing kpt #: 424 total cpu time spent up to now is 310.8 secs ethr = 2.08E-08, avg # of iterations = 29.6 total cpu time spent up to now is 310.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5111 PWs) bands (ev): -11.3521 -11.3521 -11.1449 -11.1449 -10.5442 -10.5442 -10.2702 -10.2702 -1.6691 -1.6691 -1.1596 -1.1596 -0.9483 -0.9483 -0.8336 -0.8336 0.9817 0.9817 1.0791 1.0791 1.3808 1.3808 1.9777 1.9777 2.0930 2.0930 2.2052 2.2052 2.5442 2.5442 2.5924 2.5924 2.6882 2.6882 2.7816 2.7816 3.3242 3.3242 3.3823 3.3823 4.2311 4.2311 4.2881 4.2881 5.0895 5.0895 5.2595 5.2595 6.7923 6.7923 7.1065 7.1065 8.9104 8.9104 10.2975 10.2975 10.4082 10.4082 k = 0.0106-0.0000-0.0000 ( 5115 PWs) bands (ev): -11.3513 -11.3513 -11.1441 -11.1441 -10.5442 -10.5442 -10.2704 -10.2704 -1.6675 -1.6675 -1.1587 -1.1587 -0.9482 -0.9482 -0.8341 -0.8341 0.9825 0.9825 1.0799 1.0799 1.3825 1.3825 1.9631 1.9631 2.0872 2.0872 2.1937 2.1937 2.5419 2.5419 2.5866 2.5866 2.7044 2.7044 2.7951 2.7951 3.3253 3.3253 3.3838 3.3838 4.2320 4.2320 4.2891 4.2891 5.0886 5.0886 5.2584 5.2584 6.7903 6.7903 7.1020 7.1020 8.9145 8.9145 10.3004 10.3004 10.4091 10.4091 k = 0.0213-0.0000-0.0000 ( 5103 PWs) bands (ev): -11.3488 -11.3488 -11.1418 -11.1418 -10.5443 -10.5443 -10.2710 -10.2710 -1.6627 -1.6627 -1.1560 -1.1560 -0.9478 -0.9478 -0.8356 -0.8356 0.9850 0.9850 1.0822 1.0822 1.3873 1.3873 1.9217 1.9217 2.0659 2.0659 2.1671 2.1671 2.5352 2.5352 2.5749 2.5749 2.7439 2.7439 2.8323 2.8323 3.3286 3.3286 3.3882 3.3882 4.2346 4.2346 4.2921 4.2921 5.0857 5.0857 5.2551 5.2551 6.7843 6.7843 7.0887 7.0887 8.9269 8.9269 10.3091 10.3091 10.4115 10.4115 k = 0.0319-0.0000-0.0000 ( 5099 PWs) bands (ev): -11.3447 -11.3447 -11.1379 -11.1379 -10.5444 -10.5444 -10.2721 -10.2721 -1.6548 -1.6548 -1.1515 -1.1515 -0.9472 -0.9472 -0.8378 -0.8378 0.9891 0.9891 1.0859 1.0859 1.3948 1.3948 1.8597 1.8597 2.0201 2.0201 2.1427 2.1427 2.5248 2.5248 2.5617 2.5617 2.7948 2.7948 2.8863 2.8863 3.3340 3.3340 3.3954 3.3954 4.2391 4.2391 4.2972 4.2972 5.0808 5.0808 5.2497 5.2497 6.7747 6.7747 7.0670 7.0670 8.9474 8.9474 10.3235 10.3235 10.4155 10.4155 k = 0.0426-0.0000-0.0000 ( 5097 PWs) bands (ev): -11.3389 -11.3389 -11.1326 -11.1326 -10.5445 -10.5445 -10.2735 -10.2735 -1.6437 -1.6437 -1.1456 -1.1456 -0.9463 -0.9463 -0.8404 -0.8404 0.9947 0.9947 1.0909 1.0909 1.4038 1.4038 1.7842 1.7842 1.9507 1.9507 2.1264 2.1264 2.5110 2.5110 2.5474 2.5474 2.8507 2.8507 2.9508 2.9508 3.3413 3.3413 3.4053 3.4053 4.2452 4.2452 4.3041 4.3041 5.0740 5.0740 5.2422 5.2422 6.7618 6.7618 7.0373 7.0373 8.9758 8.9758 10.3434 10.3434 10.4208 10.4208 k = 0.0532-0.0000-0.0000 ( 5093 PWs) bands (ev): -11.3315 -11.3315 -11.1257 -11.1257 -10.5447 -10.5447 -10.2754 -10.2754 -1.6295 -1.6295 -1.1383 -1.1383 -0.9454 -0.9454 -0.8428 -0.8428 1.0019 1.0019 1.0970 1.0970 1.4119 1.4119 1.7021 1.7021 1.8668 1.8668 2.1138 2.1138 2.4942 2.4942 2.5314 2.5314 2.9077 2.9077 3.0209 3.0209 3.3502 3.3502 3.4176 3.4176 4.2530 4.2530 4.3129 4.3129 5.0653 5.0653 5.2325 5.2325 6.7462 6.7462 7.0006 7.0006 9.0118 9.0118 10.3685 10.3685 10.4272 10.4272 k = 0.0638-0.0000-0.0000 ( 5089 PWs) bands (ev): -11.3225 -11.3225 -11.1173 -11.1173 -10.5450 -10.5450 -10.2776 -10.2776 -1.6121 -1.6121 -1.1302 -1.1302 -0.9442 -0.9442 -0.8445 -0.8445 1.0104 1.0104 1.1037 1.1037 1.4124 1.4124 1.6231 1.6231 1.7750 1.7750 2.1020 2.1020 2.4747 2.4747 2.5133 2.5133 2.9639 2.9639 3.0935 3.0935 3.3606 3.3606 3.4320 3.4320 4.2624 4.2624 4.3234 4.3234 5.0547 5.0547 5.2208 5.2208 6.7285 6.7285 6.9578 6.9578 9.0553 9.0553 10.3984 10.3984 10.4344 10.4344 k = 0.0745-0.0000-0.0000 ( 5081 PWs) bands (ev): -11.3119 -11.3119 -11.1075 -11.1075 -10.5453 -10.5453 -10.2802 -10.2802 -1.5917 -1.5917 -1.1217 -1.1217 -0.9429 -0.9429 -0.8447 -0.8447 1.0200 1.0200 1.1096 1.1096 1.3896 1.3896 1.5634 1.5634 1.6808 1.6808 2.0896 2.0896 2.4528 2.4528 2.4929 2.4929 3.0180 3.0180 3.1664 3.1664 3.3723 3.3723 3.4483 3.4483 4.2734 4.2734 4.3355 4.3355 5.0422 5.0422 5.2070 5.2070 6.7096 6.7096 6.9099 6.9099 9.1056 9.1056 10.4309 10.4309 10.4441 10.4441 k = 0.0851-0.0000-0.0000 ( 5073 PWs) bands (ev): -11.2998 -11.2998 -11.0962 -11.0962 -10.5456 -10.5456 -10.2832 -10.2832 -1.5682 -1.5682 -1.1135 -1.1135 -0.9413 -0.9413 -0.8427 -0.8427 1.0303 1.0303 1.1114 1.1114 1.3327 1.3327 1.5222 1.5222 1.6027 1.6027 2.0761 2.0761 2.4288 2.4288 2.4701 2.4701 3.0694 3.0694 3.2381 3.2381 3.3850 3.3850 3.4662 3.4662 4.2857 4.2857 4.3490 4.3490 5.0278 5.0278 5.1912 5.1912 6.6901 6.6901 6.8581 6.8581 9.1625 9.1625 10.4459 10.4459 10.4755 10.4755 k = 0.0957-0.0000-0.0000 ( 5073 PWs) bands (ev): -11.2861 -11.2861 -11.0836 -11.0836 -10.5459 -10.5459 -10.2866 -10.2866 -1.5417 -1.5417 -1.1061 -1.1061 -0.9391 -0.9391 -0.8377 -0.8377 1.0396 1.0396 1.0984 1.0984 1.2672 1.2672 1.4444 1.4444 1.5839 1.5839 2.0611 2.0611 2.4032 2.4032 2.4449 2.4449 3.1178 3.1178 3.3075 3.3075 3.3989 3.3989 3.4854 3.4854 4.2994 4.2994 4.3638 4.3638 5.0116 5.0116 5.1735 5.1735 6.6709 6.6709 6.8034 6.8034 9.2254 9.2254 10.4525 10.4525 10.5187 10.5187 k = 0.1064-0.0000-0.0000 ( 5075 PWs) bands (ev): -11.2710 -11.2710 -11.0696 -11.0696 -10.5463 -10.5463 -10.2903 -10.2903 -1.5124 -1.5124 -1.1003 -1.1003 -0.9359 -0.9359 -0.8294 -0.8294 1.0354 1.0354 1.0593 1.0593 1.2300 1.2300 1.3470 1.3470 1.5960 1.5960 2.0447 2.0447 2.3761 2.3761 2.4171 2.4171 3.1630 3.1630 3.3725 3.3725 3.4150 3.4150 3.5057 3.5057 4.3143 4.3143 4.3798 4.3798 4.9937 4.9937 5.1539 5.1539 6.6528 6.6528 6.7469 6.7469 9.2938 9.2938 10.4572 10.4572 10.5665 10.5665 k = 0.1170-0.0000-0.0000 ( 5075 PWs) bands (ev): -11.2544 -11.2544 -11.0543 -11.0543 -10.5468 -10.5468 -10.2944 -10.2944 -1.4801 -1.4801 -1.0965 -1.0965 -0.9311 -0.9311 -0.8175 -0.8175 0.9576 0.9576 1.0481 1.0481 1.2250 1.2250 1.2558 1.2558 1.6158 1.6158 2.0268 2.0268 2.3478 2.3478 2.3869 2.3869 3.2049 3.2049 3.4179 3.4179 3.4478 3.4478 3.5267 3.5267 4.3302 4.3302 4.3967 4.3967 4.9740 4.9740 5.1325 5.1325 6.6365 6.6365 6.6899 6.6899 9.3670 9.3670 10.4599 10.4599 10.6182 10.6182 k = 0.1277-0.0000-0.0000 ( 5085 PWs) bands (ev): -11.2365 -11.2365 -11.0378 -11.0378 -10.5472 -10.5472 -10.2989 -10.2989 -1.4451 -1.4451 -1.0949 -1.0949 -0.9245 -0.9245 -0.8020 -0.8020 0.8573 0.8573 1.0121 1.0121 1.1944 1.1944 1.2360 1.2360 1.6377 1.6377 2.0076 2.0076 2.3180 2.3180 2.3545 2.3545 3.2436 3.2436 3.4368 3.4368 3.5038 3.5038 3.5482 3.5482 4.3471 4.3471 4.4143 4.4143 4.9527 4.9527 5.1095 5.1095 6.6226 6.6226 6.6334 6.6334 9.4444 9.4444 10.4600 10.4600 10.6737 10.6737 k = 0.1383-0.0000-0.0000 ( 5071 PWs) bands (ev): -11.2172 -11.2172 -11.0201 -11.0201 -10.5477 -10.5477 -10.3036 -10.3036 -1.4075 -1.4075 -1.0953 -1.0953 -0.9160 -0.9160 -0.7832 -0.7832 0.7514 0.7514 0.9312 0.9312 1.1796 1.1796 1.2524 1.2524 1.6596 1.6596 1.9870 1.9870 2.2863 2.2863 2.3207 2.3207 3.2792 3.2792 3.4523 3.4523 3.5589 3.5589 3.5705 3.5705 4.3648 4.3648 4.4326 4.4326 4.9298 4.9298 5.0849 5.0849 6.5782 6.5782 6.6119 6.6119 9.5254 9.5254 10.4571 10.4571 10.7327 10.7327 k = 0.1489-0.0000-0.0000 ( 5063 PWs) bands (ev): -11.1966 -11.1966 -11.0013 -11.0013 -10.5481 -10.5481 -10.3087 -10.3087 -1.3674 -1.3674 -1.0971 -1.0971 -0.9054 -0.9054 -0.7615 -0.7615 0.6444 0.6444 0.8270 0.8270 1.1885 1.1885 1.2725 1.2725 1.6803 1.6803 1.9653 1.9653 2.2512 2.2512 2.2868 2.2868 3.3119 3.3119 3.4672 3.4672 3.5907 3.5907 3.6126 3.6126 4.3830 4.3830 4.4512 4.4512 4.9055 4.9055 5.0589 5.0589 6.5256 6.5256 6.6047 6.6047 9.6092 9.6092 10.4508 10.4508 10.7950 10.7950 k = 0.1596-0.0000-0.0000 ( 5065 PWs) bands (ev): -11.1748 -11.1748 -10.9814 -10.9814 -10.5486 -10.5486 -10.3140 -10.3140 -1.3250 -1.3250 -1.0997 -1.0997 -0.8930 -0.8930 -0.7380 -0.7380 0.5382 0.5382 0.7146 0.7146 1.2067 1.2067 1.2950 1.2950 1.6986 1.6986 1.9425 1.9425 2.2114 2.2114 2.2545 2.2545 3.3418 3.3418 3.4818 3.4818 3.6122 3.6122 3.6607 3.6607 4.4017 4.4017 4.4701 4.4701 4.8799 4.8799 5.0317 5.0317 6.4764 6.4764 6.6015 6.6015 9.6951 9.6951 10.4407 10.4407 10.8606 10.8606 k = 0.1702-0.0000-0.0000 ( 5070 PWs) bands (ev): -11.1519 -11.1519 -10.9606 -10.9606 -10.5491 -10.5491 -10.3196 -10.3196 -1.2807 -1.2807 -1.1022 -1.1022 -0.8787 -0.8787 -0.7135 -0.7135 0.4347 0.4347 0.5991 0.5991 1.2294 1.2294 1.3196 1.3196 1.7140 1.7140 1.9190 1.9190 2.1664 2.1664 2.2243 2.2243 3.3691 3.3691 3.4961 3.4961 3.6330 3.6330 3.7047 3.7047 4.4206 4.4206 4.4891 4.4891 4.8532 4.8532 5.0033 5.0033 6.4313 6.4313 6.6026 6.6026 9.7824 9.7824 10.4266 10.4266 10.9292 10.9292 k = 0.1809-0.0000-0.0000 ( 5076 PWs) bands (ev): -11.1278 -11.1278 -10.9389 -10.9389 -10.5496 -10.5496 -10.3255 -10.3255 -1.2353 -1.2353 -1.1036 -1.1036 -0.8624 -0.8624 -0.6895 -0.6895 0.3356 0.3356 0.4824 0.4824 1.2550 1.2550 1.3457 1.3457 1.7258 1.7258 1.8949 1.8949 2.1167 2.1167 2.1954 2.1954 3.3940 3.3940 3.5100 3.5100 3.6529 3.6529 3.7445 3.7445 4.4395 4.4395 4.5078 4.5078 4.8257 4.8257 4.9741 4.9741 6.3911 6.3911 6.6082 6.6082 9.8702 9.8702 10.4085 10.4085 11.0008 11.0008 k = 0.1915-0.0000-0.0000 ( 5078 PWs) bands (ev): -11.1028 -11.1028 -10.9164 -10.9164 -10.5500 -10.5500 -10.3316 -10.3316 -1.1905 -1.1905 -1.1019 -1.1019 -0.8440 -0.8440 -0.6682 -0.6682 0.2432 0.2432 0.3655 0.3655 1.2828 1.2828 1.3731 1.3731 1.7337 1.7337 1.8704 1.8704 2.0630 2.0630 2.1675 2.1675 3.4166 3.4166 3.5235 3.5235 3.6718 3.6718 3.7798 3.7798 4.4582 4.4582 4.5260 4.5260 4.7978 4.7978 4.9443 4.9443 6.3566 6.3566 6.6184 6.6184 9.9576 9.9576 10.3862 10.3862 11.0753 11.0753 k = 0.2021-0.0000-0.0000 ( 5072 PWs) bands (ev): -11.0768 -11.0768 -10.8931 -10.8931 -10.5505 -10.5505 -10.3379 -10.3379 -1.1525 -1.1525 -1.0908 -1.0908 -0.8233 -0.8233 -0.6523 -0.6523 0.1603 0.1603 0.2492 0.2492 1.3122 1.3122 1.4014 1.4014 1.7374 1.7374 1.8460 1.8460 2.0059 2.0059 2.1397 2.1397 3.4370 3.4370 3.5362 3.5362 3.6894 3.6894 3.8108 3.8108 4.4765 4.4765 4.5432 4.5432 4.7702 4.7702 4.9142 4.9142 6.3281 6.3281 6.6331 6.6331 10.0437 10.0437 10.3602 10.3602 11.1525 11.1525 k = 0.2128-0.0000-0.0000 ( 5060 PWs) bands (ev): -11.0500 -11.0500 -10.8693 -10.8693 -10.5509 -10.5509 -10.3444 -10.3444 -1.1325 -1.1325 -1.0594 -1.0594 -0.8001 -0.8001 -0.6455 -0.6455 0.0906 0.0906 0.1342 0.1342 1.3428 1.3428 1.4303 1.4303 1.7368 1.7368 1.8221 1.8221 1.9459 1.9459 2.1117 2.1117 3.4553 3.4553 3.5481 3.5481 3.7057 3.7057 3.8372 3.8372 4.4939 4.4939 4.5586 4.5586 4.7438 4.7438 4.8841 4.8841 6.3062 6.3062 6.6522 6.6522 10.1274 10.1274 10.3306 10.3306 11.2323 11.2323 k = 0.2234-0.0000-0.0000 ( 5056 PWs) bands (ev): -11.0225 -11.0225 -10.8449 -10.8449 -10.5512 -10.5512 -10.3511 -10.3511 -1.1244 -1.1244 -1.0140 -1.0140 -0.7741 -0.7741 -0.6520 -0.6520 0.0202 0.0202 0.0392 0.0392 1.3744 1.3744 1.4589 1.4589 1.7312 1.7312 1.7997 1.7997 1.8844 1.8844 2.0826 2.0826 3.4715 3.4715 3.5591 3.5591 3.7204 3.7204 3.8590 3.8590 4.5101 4.5101 4.5706 4.5706 4.7206 4.7206 4.8546 4.8546 6.2911 6.2911 6.6756 6.6756 10.2070 10.2070 10.2985 10.2985 11.3144 11.3144 k = 0.2340-0.0000-0.0000 ( 5074 PWs) bands (ev): -10.9943 -10.9943 -10.8202 -10.8202 -10.5516 -10.5516 -10.3580 -10.3580 -1.1189 -1.1189 -0.9646 -0.9646 -0.7451 -0.7451 -0.6750 -0.6750 -0.0901 -0.0901 0.0077 0.0077 1.4062 1.4062 1.4865 1.4865 1.7177 1.7177 1.7805 1.7805 1.8245 1.8245 2.0521 2.0521 3.4857 3.4857 3.5688 3.5688 3.7334 3.7334 3.8762 3.8762 4.5241 4.5241 4.5767 4.5767 4.7037 4.7037 4.8264 4.8264 6.2829 6.2829 6.7029 6.7029 10.2545 10.2545 10.2909 10.2909 11.3987 11.3987 k = 0.2447-0.0000-0.0000 ( 5070 PWs) bands (ev): -10.9655 -10.9655 -10.7952 -10.7952 -10.5518 -10.5518 -10.3649 -10.3649 -1.1129 -1.1129 -0.9150 -0.9150 -0.7165 -0.7165 -0.7117 -0.7117 -0.1969 -0.1969 -0.0021 -0.0021 1.4373 1.4373 1.5113 1.5113 1.6893 1.6893 1.7640 1.7640 1.7773 1.7773 2.0194 2.0194 3.4977 3.4977 3.5772 3.5772 3.7445 3.7445 3.8887 3.8887 4.5338 4.5338 4.5752 4.5752 4.6966 4.6966 4.8003 4.8003 6.2819 6.2819 6.7340 6.7340 10.2207 10.2207 10.3563 10.3563 11.4849 11.4849 k = 0.2553-0.0000-0.0000 ( 5066 PWs) bands (ev): -10.9363 -10.9363 -10.7700 -10.7700 -10.5520 -10.5520 -10.3720 -10.3720 -1.1057 -1.1057 -0.8677 -0.8677 -0.7687 -0.7687 -0.6799 -0.6799 -0.2971 -0.2971 0.0070 0.0070 1.4653 1.4653 1.5310 1.5310 1.6404 1.6404 1.7359 1.7359 1.7677 1.7677 1.9844 1.9844 3.5075 3.5075 3.5838 3.5838 3.7536 3.7536 3.8964 3.8964 4.5342 4.5342 4.5701 4.5701 4.6993 4.6993 4.7779 4.7779 6.2878 6.2878 6.7682 6.7682 10.1812 10.1812 10.4179 10.4179 11.5721 11.5721 k = 0.2660-0.0000-0.0000 ( 5068 PWs) bands (ev): -10.9068 -10.9068 -10.7447 -10.7447 -10.5520 -10.5520 -10.3792 -10.3792 -1.0971 -1.0971 -0.8438 -0.8438 -0.8118 -0.8118 -0.6513 -0.6513 -0.3833 -0.3833 0.0308 0.0308 1.4829 1.4829 1.5407 1.5407 1.5867 1.5867 1.7161 1.7161 1.7732 1.7732 1.9468 1.9468 3.5150 3.5150 3.5886 3.5886 3.7603 3.7603 3.8992 3.8992 4.5210 4.5210 4.5680 4.5680 4.7081 4.7081 4.7613 4.7613 6.3005 6.3005 6.8053 6.8053 10.1400 10.1400 10.4703 10.4703 11.6593 11.6593 k = 0.2766-0.0000-0.0000 ( 5070 PWs) bands (ev): -10.8770 -10.8770 -10.7196 -10.7196 -10.5519 -10.5519 -10.3864 -10.3864 -1.0877 -1.0877 -0.9069 -0.9069 -0.7789 -0.7789 -0.6447 -0.6447 -0.4354 -0.4354 0.0654 0.0654 1.4601 1.4601 1.5374 1.5374 1.5643 1.5643 1.7060 1.7060 1.7885 1.7885 1.9075 1.9075 3.5200 3.5200 3.5912 3.5912 3.7646 3.7646 3.8971 3.8971 4.5001 4.5001 4.5652 4.5652 4.7186 4.7186 4.7532 4.7532 6.3198 6.3198 6.8447 6.8447 10.0982 10.0982 10.5112 10.5112 11.7429 11.7429 k = 0.2872-0.0000-0.0000 ( 5072 PWs) bands (ev): -10.8472 -10.8472 -10.6947 -10.6947 -10.5517 -10.5517 -10.3937 -10.3937 -1.0810 -1.0810 -0.9749 -0.9749 -0.7606 -0.7606 -0.6669 -0.6669 -0.4313 -0.4313 0.1074 0.1074 1.3947 1.3947 1.5375 1.5375 1.5588 1.5588 1.7056 1.7056 1.8125 1.8125 1.8689 1.8689 3.5223 3.5223 3.5913 3.5913 3.7662 3.7662 3.8901 3.8901 4.4770 4.4770 4.5579 4.5579 4.7271 4.7271 4.7565 4.7565 6.3453 6.3453 6.8860 6.8860 10.0563 10.0563 10.5386 10.5386 11.8118 11.8118 k = 0.2979-0.0000-0.0000 ( 5072 PWs) bands (ev): -10.8173 -10.8173 -10.6703 -10.6703 -10.5513 -10.5513 -10.4010 -10.4010 -1.0969 -1.0969 -1.0201 -1.0201 -0.8035 -0.8035 -0.6579 -0.6579 -0.3899 -0.3899 0.1547 0.1547 1.3177 1.3177 1.5320 1.5320 1.5502 1.5502 1.7087 1.7087 1.8313 1.8313 1.8496 1.8496 3.5216 3.5216 3.5887 3.5887 3.7650 3.7650 3.8784 3.8784 4.4541 4.4541 4.5458 4.5458 4.7346 4.7346 4.7685 4.7685 6.3765 6.3765 6.9287 6.9287 10.0148 10.0148 10.5510 10.5510 11.8434 11.8434 k = 0.3085-0.0000-0.0000 ( 5072 PWs) bands (ev): -10.7876 -10.7876 -10.6464 -10.6464 -10.5505 -10.5505 -10.4082 -10.4082 -1.1555 -1.1555 -1.0214 -1.0214 -0.8795 -0.8795 -0.6229 -0.6229 -0.3331 -0.3331 0.2054 0.2054 1.2368 1.2368 1.5194 1.5194 1.5375 1.5375 1.6967 1.6967 1.8255 1.8255 1.8831 1.8831 3.5177 3.5177 3.5832 3.5832 3.7607 3.7607 3.8623 3.8623 4.4325 4.4325 4.5306 4.5306 4.7440 4.7440 4.7840 4.7840 6.4130 6.4130 6.9721 6.9721 9.9744 9.9744 10.5478 10.5478 11.8452 11.8452 k = 0.3191-0.0000-0.0000 ( 5074 PWs) bands (ev): -10.7582 -10.7582 -10.6235 -10.6235 -10.5494 -10.5494 -10.4155 -10.4155 -1.2262 -1.2262 -1.0177 -1.0177 -0.9510 -0.9510 -0.5821 -0.5821 -0.2690 -0.2690 0.2584 0.2584 1.1539 1.1539 1.5013 1.5013 1.5223 1.5223 1.6610 1.6610 1.8453 1.8453 1.9234 1.9234 3.5104 3.5104 3.5745 3.5745 3.7532 3.7532 3.8424 3.8424 4.4129 4.4129 4.5139 4.5139 4.7558 4.7558 4.8007 4.8007 6.4542 6.4542 7.0157 7.0157 9.9354 9.9354 10.5296 10.5296 11.8447 11.8447 k = 0.3298-0.0000-0.0000 ( 5072 PWs) bands (ev): -10.7292 -10.7292 -10.6019 -10.6019 -10.5475 -10.5475 -10.4227 -10.4227 -1.2975 -1.2975 -1.0677 -1.0677 -0.9635 -0.9635 -0.5388 -0.5388 -0.2009 -0.2009 0.3125 0.3125 1.0698 1.0698 1.4780 1.4780 1.5059 1.5059 1.6141 1.6141 1.8802 1.8802 1.9669 1.9669 3.4992 3.4992 3.5623 3.5623 3.7423 3.7423 3.8195 3.8195 4.3957 4.3957 4.4969 4.4969 4.7692 4.7692 4.8175 4.8175 6.4997 6.4997 7.0590 7.0590 9.8983 9.8983 10.4981 10.4981 11.8519 11.8519 k = 0.3404-0.0000-0.0000 ( 5070 PWs) bands (ev): -10.7008 -10.7008 -10.5826 -10.5826 -10.5439 -10.5439 -10.4298 -10.4298 -1.3667 -1.3667 -1.1459 -1.1459 -0.9422 -0.9422 -0.4936 -0.4936 -0.1305 -0.1305 0.3670 0.3670 0.9851 0.9851 1.4480 1.4480 1.4891 1.4891 1.5659 1.5659 1.9221 1.9221 2.0125 2.0125 3.4841 3.4841 3.5465 3.5465 3.7279 3.7279 3.7945 3.7945 4.3809 4.3809 4.4806 4.4806 4.7837 4.7837 4.8342 4.8342 6.5487 6.5487 7.1014 7.1014 9.8635 9.8635 10.4559 10.4559 11.8683 11.8683 k = 0.3511-0.0000-0.0000 ( 5074 PWs) bands (ev): -10.6730 -10.6730 -10.5677 -10.5677 -10.5368 -10.5368 -10.4368 -10.4368 -1.4330 -1.4330 -1.2247 -1.2247 -0.9140 -0.9140 -0.4467 -0.4467 -0.0586 -0.0586 0.4210 0.4210 0.9000 0.9000 1.4080 1.4080 1.4722 1.4722 1.5232 1.5232 1.9680 1.9680 2.0599 2.0599 3.4648 3.4648 3.5267 3.5267 3.7098 3.7098 3.7688 3.7688 4.3686 4.3686 4.4653 4.4653 4.7988 4.7988 4.8504 4.8504 6.6007 6.6007 7.1422 7.1422 9.8312 9.8312 10.4057 10.4057 11.8930 11.8930 k = 0.3617-0.0000-0.0000 ( 5068 PWs) bands (ev): -10.6461 -10.6461 -10.5591 -10.5591 -10.5244 -10.5244 -10.4437 -10.4437 -1.4957 -1.4957 -1.3009 -1.3009 -0.8820 -0.8820 -0.3981 -0.3981 0.0139 0.0139 0.4738 0.4738 0.8150 0.8150 1.3562 1.3562 1.4557 1.4557 1.4896 1.4896 2.0164 2.0164 2.1086 2.1086 3.4413 3.4413 3.5027 3.5027 3.6883 3.6883 3.7432 3.7432 4.3587 4.3587 4.4512 4.4512 4.8142 4.8142 4.8659 4.8659 6.6551 6.6551 7.1811 7.1811 9.8018 9.8018 10.3503 10.3503 11.9243 11.9243 k = 0.3723-0.0000-0.0000 ( 5060 PWs) bands (ev): -10.6201 -10.6201 -10.5545 -10.5545 -10.5091 -10.5091 -10.4504 -10.4504 -1.5543 -1.5543 -1.3735 -1.3735 -0.8468 -0.8468 -0.3476 -0.3476 0.0864 0.0864 0.5247 0.5247 0.7303 0.7303 1.2950 1.2950 1.4397 1.4397 1.4636 1.4636 2.0667 2.0667 2.1584 2.1584 3.4138 3.4138 3.4743 3.4743 3.6643 3.6643 3.7184 3.7184 4.3511 4.3511 4.4385 4.4385 4.8296 4.8296 4.8806 4.8806 6.7112 6.7112 7.2173 7.2173 9.7755 9.7755 10.2919 10.2919 11.9605 11.9605 k = 0.3830-0.0000-0.0000 ( 5064 PWs) bands (ev): -10.5954 -10.5954 -10.5514 -10.5514 -10.4935 -10.4935 -10.4568 -10.4568 -1.6087 -1.6087 -1.4420 -1.4420 -0.8087 -0.8087 -0.2953 -0.2953 0.1581 0.1581 0.5727 0.5727 0.6465 0.6465 1.2281 1.2281 1.4245 1.4245 1.4424 1.4424 2.1183 2.1183 2.2090 2.2090 3.3825 3.3825 3.4415 3.4415 3.6390 3.6390 3.6942 3.6942 4.3455 4.3455 4.4272 4.4272 4.8448 4.8448 4.8942 4.8942 6.7684 6.7684 7.2503 7.2503 9.7525 9.7525 10.2324 10.2324 12.0003 12.0003 k = 0.3936-0.0000-0.0000 ( 5060 PWs) bands (ev): -10.5721 -10.5721 -10.5485 -10.5485 -10.4792 -10.4792 -10.4624 -10.4624 -1.6583 -1.6583 -1.5060 -1.5060 -0.7676 -0.7676 -0.2412 -0.2412 0.2283 0.2283 0.5631 0.5631 0.6182 0.6182 1.1580 1.1580 1.4100 1.4100 1.4243 1.4243 2.1709 2.1709 2.2601 2.2601 3.3477 3.3477 3.4045 3.4045 3.6137 3.6137 3.6704 3.6704 4.3417 4.3417 4.4170 4.4170 4.8595 4.8595 4.9068 4.9068 6.8261 6.8261 7.2796 7.2796 9.7330 9.7330 10.1732 10.1732 12.0425 12.0425 k = 0.4043-0.0000-0.0000 ( 5068 PWs) bands (ev): -10.5524 -10.5524 -10.5436 -10.5436 -10.4725 -10.4725 -10.4616 -10.4616 -1.7032 -1.7032 -1.5654 -1.5654 -0.7238 -0.7238 -0.1854 -0.1854 0.2952 0.2952 0.4832 0.4832 0.6585 0.6585 1.0859 1.0859 1.3966 1.3966 1.4084 1.4084 2.2243 2.2243 2.3114 2.3114 3.3098 3.3098 3.3641 3.3641 3.5893 3.5893 3.6468 3.6468 4.3396 4.3396 4.4080 4.4080 4.8737 4.8737 4.9181 4.9181 6.8836 6.8836 7.3048 7.3048 9.7171 9.7171 10.1156 10.1156 12.0865 12.0865 k = 0.4149-0.0000-0.0000 ( 5066 PWs) bands (ev): -10.5457 -10.5457 -10.5273 -10.5273 -10.4767 -10.4767 -10.4511 -10.4511 -1.7429 -1.7429 -1.6199 -1.6199 -0.6773 -0.6773 -0.1280 -0.1280 0.3467 0.3467 0.4176 0.4176 0.6938 0.6938 1.0132 1.0132 1.3842 1.3842 1.3943 1.3943 2.2781 2.2781 2.3627 2.3627 3.2695 3.2695 3.3209 3.3209 3.5665 3.5665 3.6236 3.6236 4.3387 4.3387 4.4000 4.4000 4.8871 4.8871 4.9281 4.9281 6.9402 6.9402 7.3254 7.3254 9.7049 9.7049 10.0603 10.0603 12.1318 12.1318 k = 0.4255-0.0000-0.0000 ( 5070 PWs) bands (ev): -10.5427 -10.5427 -10.5093 -10.5093 -10.4814 -10.4814 -10.4409 -10.4409 -1.7775 -1.7775 -1.6694 -1.6694 -0.6280 -0.6280 -0.0693 -0.0693 0.3077 0.3077 0.4412 0.4412 0.7225 0.7225 0.9412 0.9412 1.3731 1.3731 1.3818 1.3818 2.3319 2.3319 2.4134 2.4134 3.2271 3.2271 3.2758 3.2758 3.5458 3.5458 3.6010 3.6010 4.3389 4.3389 4.3928 4.3928 4.8997 4.8997 4.9368 4.9368 6.9954 6.9954 7.3411 7.3411 9.6965 9.6965 10.0080 10.0080 12.1780 12.1780 k = 0.4362-0.0000-0.0000 ( 5070 PWs) bands (ev): -10.5398 -10.5398 -10.4965 -10.4965 -10.4823 -10.4823 -10.4324 -10.4324 -1.8066 -1.8066 -1.7136 -1.7136 -0.5761 -0.5761 -0.0102 -0.0102 0.2352 0.2352 0.4975 0.4975 0.7410 0.7410 0.8732 0.8732 1.3632 1.3632 1.3708 1.3708 2.3855 2.3855 2.4629 2.4629 3.1837 3.1837 3.2298 3.2298 3.5277 3.5277 3.5792 3.5792 4.3401 4.3401 4.3864 4.3864 4.9113 4.9113 4.9439 4.9439 7.0485 7.0485 7.3514 7.3514 9.6920 9.6920 9.9591 9.9591 12.2249 12.2249 k = 0.4468-0.0000-0.0000 ( 5066 PWs) bands (ev): -10.5369 -10.5369 -10.4966 -10.4966 -10.4718 -10.4718 -10.4258 -10.4258 -1.8303 -1.8303 -1.7525 -1.7525 -0.5217 -0.5217 0.0442 0.0442 0.1674 0.1674 0.5520 0.5520 0.7369 0.7369 0.8220 0.8220 1.3548 1.3548 1.3613 1.3613 2.4381 2.4381 2.5103 2.5103 3.1402 3.1402 3.1839 3.1839 3.5125 3.5125 3.5587 3.5587 4.3419 4.3419 4.3806 4.3806 4.9218 4.9218 4.9496 4.9496 7.0989 7.0989 7.3561 7.3561 9.6914 9.6914 9.9140 9.9140 12.2725 12.2725 k = 0.4574-0.0000-0.0000 ( 5078 PWs) bands (ev): -10.5337 -10.5337 -10.5009 -10.5009 -10.4588 -10.4588 -10.4211 -10.4211 -1.8483 -1.8483 -1.7860 -1.7860 -0.4648 -0.4648 0.0518 0.0518 0.1492 0.1492 0.5987 0.5987 0.6948 0.6948 0.8058 0.8058 1.3478 1.3478 1.3533 1.3533 2.4889 2.4889 2.5541 2.5541 3.0984 3.0984 3.1392 3.1392 3.5006 3.5006 3.5399 3.5399 4.3443 4.3443 4.3753 4.3753 4.9310 4.9310 4.9537 4.9537 7.1462 7.1462 7.3551 7.3551 9.6949 9.6949 9.8728 9.8728 12.3207 12.3207 k = 0.4681-0.0000-0.0000 ( 5078 PWs) bands (ev): -10.5304 -10.5304 -10.5056 -10.5056 -10.4470 -10.4470 -10.4185 -10.4185 -1.8607 -1.8607 -1.8138 -1.8138 -0.4054 -0.4054 -0.0077 -0.0077 0.2009 0.2009 0.6021 0.6021 0.6714 0.6714 0.8020 0.8020 1.3425 1.3425 1.3468 1.3468 2.5365 2.5365 2.5921 2.5921 3.0608 3.0608 3.0971 3.0971 3.4924 3.4924 3.5233 3.5233 4.3472 4.3472 4.3704 4.3704 4.9390 4.9390 4.9563 4.9563 7.1896 7.1896 7.3482 7.3482 9.7024 9.7024 9.8358 9.8358 12.3696 12.3696 k = 0.4787-0.0000-0.0000 ( 5086 PWs) bands (ev): -10.5268 -10.5268 -10.5102 -10.5102 -10.4371 -10.4371 -10.4180 -10.4180 -1.8673 -1.8673 -1.8360 -1.8360 -0.3437 -0.3437 -0.0768 -0.0768 0.2653 0.2653 0.5417 0.5417 0.7022 0.7022 0.7952 0.7952 1.3389 1.3389 1.3419 1.3419 2.5787 2.5787 2.6208 2.6208 3.0312 3.0312 3.0599 3.0599 3.4880 3.4880 3.5094 3.5094 4.3504 4.3504 4.3659 4.3659 4.9456 4.9456 4.9573 4.9573 7.2289 7.2289 7.3355 7.3355 9.7141 9.7141 9.8029 9.8029 12.4192 12.4192 k = 0.4894-0.0000-0.0000 ( 5096 PWs) bands (ev): -10.5230 -10.5230 -10.5147 -10.5147 -10.4292 -10.4292 -10.4196 -10.4196 -1.8682 -1.8682 -1.8525 -1.8525 -0.2798 -0.2798 -0.1460 -0.1460 0.3330 0.3330 0.4724 0.4724 0.7348 0.7348 0.7820 0.7820 1.3370 1.3370 1.3386 1.3386 2.6123 2.6123 2.6354 2.6354 3.0145 3.0145 3.0308 3.0308 3.4877 3.4877 3.4986 3.4986 4.3539 4.3539 4.3616 4.3616 4.9508 4.9508 4.9567 4.9567 7.2634 7.2634 7.3170 7.3170 9.7300 9.7300 9.7744 9.7744 12.4696 12.4696 k = 0.5000-0.0000-0.0000 ( 5082 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4234 -10.4234 -1.8633 -1.8633 -1.8632 -1.8632 -0.2138 -0.2138 -0.2137 -0.2137 0.4023 0.4023 0.4023 0.4023 0.7618 0.7618 0.7618 0.7618 1.3369 1.3369 1.3370 1.3370 2.6325 2.6325 2.6325 2.6325 3.0142 3.0142 3.0145 3.0145 3.4911 3.4911 3.4914 3.4914 4.3575 4.3575 4.3578 4.3578 4.9544 4.9544 4.9546 4.9546 7.2928 7.2928 7.2930 7.2930 9.7500 9.7500 9.7501 9.7501 12.5208 12.5209 k = 0.5000-0.0000-0.0000 ( 5082 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4234 -10.4234 -1.8633 -1.8633 -1.8632 -1.8632 -0.2138 -0.2138 -0.2137 -0.2137 0.4023 0.4023 0.4023 0.4023 0.7618 0.7618 0.7618 0.7618 1.3369 1.3369 1.3370 1.3370 2.6325 2.6325 2.6325 2.6325 3.0142 3.0142 3.0145 3.0145 3.4911 3.4911 3.4914 3.4914 4.3575 4.3575 4.3578 4.3578 4.9544 4.9544 4.9546 4.9546 7.2928 7.2928 7.2930 7.2930 9.7500 9.7500 9.7501 9.7501 12.5208 12.5209 k = 0.5000 0.0106-0.0000 ( 5070 PWs) bands (ev): -10.5190 -10.5190 -10.5189 -10.5189 -10.4232 -10.4232 -10.4231 -10.4231 -1.8631 -1.8631 -1.8629 -1.8629 -0.2137 -0.2137 -0.2135 -0.2135 0.4012 0.4012 0.4030 0.4030 0.7610 0.7610 0.7625 0.7625 1.3348 1.3348 1.3354 1.3354 2.6322 2.6322 2.6323 2.6323 3.0142 3.0142 3.0157 3.0157 3.4908 3.4908 3.4916 3.4916 4.3579 4.3579 4.3582 4.3582 4.9546 4.9546 4.9549 4.9549 7.2919 7.2919 7.2937 7.2937 9.7500 9.7500 9.7505 9.7505 12.5139 12.5140 k = 0.5000 0.0212-0.0000 ( 5074 PWs) bands (ev): -10.5190 -10.5190 -10.5189 -10.5189 -10.4225 -10.4225 -10.4224 -10.4224 -1.8623 -1.8623 -1.8619 -1.8619 -0.2133 -0.2133 -0.2129 -0.2129 0.3997 0.3997 0.4032 0.4032 0.7602 0.7602 0.7632 0.7632 1.3291 1.3291 1.3303 1.3303 2.6314 2.6314 2.6317 2.6317 3.0153 3.0153 3.0182 3.0182 3.4903 3.4903 3.4919 3.4919 4.3591 4.3591 4.3595 4.3595 4.9551 4.9551 4.9557 4.9557 7.2907 7.2907 7.2942 7.2942 9.7502 9.7502 9.7512 9.7512 12.5078 12.5078 k = 0.5000 0.0318-0.0000 ( 5074 PWs) bands (ev): -10.5189 -10.5189 -10.5188 -10.5188 -10.4214 -10.4214 -10.4212 -10.4212 -1.8610 -1.8610 -1.8604 -1.8604 -0.2125 -0.2125 -0.2119 -0.2119 0.3977 0.3977 0.4030 0.4030 0.7593 0.7593 0.7639 0.7639 1.3199 1.3199 1.3215 1.3215 2.6302 2.6302 2.6307 2.6307 3.0175 3.0175 3.0218 3.0218 3.4897 3.4897 3.4920 3.4920 4.3612 4.3612 4.3617 4.3617 4.9561 4.9561 4.9568 4.9568 7.2893 7.2893 7.2946 7.2946 9.7508 9.7508 9.7521 9.7521 12.5019 12.5019 k = 0.5000 0.0423-0.0000 ( 5074 PWs) bands (ev): -10.5188 -10.5188 -10.5187 -10.5187 -10.4198 -10.4198 -10.4195 -10.4195 -1.8591 -1.8591 -1.8584 -1.8584 -0.2114 -0.2114 -0.2106 -0.2106 0.3953 0.3953 0.4023 0.4023 0.7584 0.7584 0.7645 0.7645 1.3072 1.3072 1.3093 1.3093 2.6284 2.6284 2.6291 2.6291 3.0208 3.0208 3.0265 3.0265 3.4891 3.4891 3.4922 3.4922 4.3642 4.3642 4.3648 4.3648 4.9574 4.9574 4.9585 4.9585 7.2876 7.2876 7.2947 7.2947 9.7516 9.7516 9.7533 9.7533 12.4948 12.4948 k = 0.5000 0.0529-0.0000 ( 5074 PWs) bands (ev): -10.5187 -10.5187 -10.5186 -10.5186 -10.4178 -10.4178 -10.4175 -10.4175 -1.8567 -1.8567 -1.8558 -1.8558 -0.2099 -0.2099 -0.2089 -0.2089 0.3924 0.3924 0.4012 0.4012 0.7575 0.7575 0.7650 0.7650 1.2913 1.2913 1.2939 1.2939 2.6261 2.6261 2.6269 2.6269 3.0252 3.0252 3.0322 3.0322 3.4884 3.4884 3.4922 3.4922 4.3680 4.3680 4.3687 4.3687 4.9593 4.9593 4.9605 4.9605 7.2858 7.2858 7.2945 7.2945 9.7526 9.7526 9.7547 9.7547 12.4846 12.4846 k = 0.5000 0.0635-0.0000 ( 5070 PWs) bands (ev): -10.5185 -10.5185 -10.5183 -10.5183 -10.4153 -10.4153 -10.4150 -10.4150 -1.8537 -1.8537 -1.8527 -1.8527 -0.2081 -0.2081 -0.2069 -0.2069 0.3892 0.3892 0.3996 0.3996 0.7565 0.7565 0.7654 0.7654 1.2723 1.2723 1.2753 1.2753 2.6232 2.6232 2.6241 2.6241 3.0307 3.0307 3.0389 3.0389 3.4876 3.4876 3.4923 3.4923 4.3728 4.3728 4.3736 4.3736 4.9615 4.9615 4.9630 4.9630 7.2838 7.2838 7.2942 7.2942 9.7536 9.7536 9.7561 9.7561 12.4683 12.4683 k = 0.5000 0.0741-0.0000 ( 5080 PWs) bands (ev): -10.5182 -10.5182 -10.5181 -10.5181 -10.4125 -10.4125 -10.4121 -10.4121 -1.8503 -1.8503 -1.8491 -1.8491 -0.2059 -0.2059 -0.2045 -0.2045 0.3855 0.3855 0.3975 0.3975 0.7554 0.7554 0.7657 0.7657 1.2506 1.2506 1.2538 1.2538 2.6196 2.6196 2.6206 2.6206 3.0371 3.0371 3.0464 3.0464 3.4869 3.4869 3.4923 3.4923 4.3786 4.3786 4.3795 4.3795 4.9642 4.9642 4.9659 4.9659 7.2816 7.2816 7.2936 7.2936 9.7546 9.7546 9.7574 9.7574 12.4422 12.4422 k = 0.5000 0.0847-0.0000 ( 5084 PWs) bands (ev): -10.5179 -10.5179 -10.5178 -10.5178 -10.4094 -10.4094 -10.4089 -10.4089 -1.8463 -1.8463 -1.8450 -1.8450 -0.2035 -0.2035 -0.2018 -0.2018 0.3815 0.3815 0.3950 0.3950 0.7542 0.7542 0.7658 0.7658 1.2264 1.2264 1.2297 1.2297 2.6153 2.6153 2.6164 2.6164 3.0444 3.0444 3.0548 3.0548 3.4861 3.4861 3.4923 3.4923 4.3855 4.3855 4.3864 4.3864 4.9673 4.9673 4.9692 4.9692 7.2793 7.2793 7.2928 7.2928 9.7556 9.7556 9.7585 9.7585 12.4022 12.4022 k = 0.5000 0.0953-0.0000 ( 5072 PWs) bands (ev): -10.5175 -10.5175 -10.5173 -10.5173 -10.4059 -10.4059 -10.4054 -10.4054 -1.8419 -1.8419 -1.8404 -1.8404 -0.2006 -0.2006 -0.1987 -0.1987 0.3771 0.3771 0.3921 0.3921 0.7529 0.7529 0.7657 0.7657 1.1998 1.1998 1.2033 1.2033 2.6102 2.6102 2.6115 2.6115 3.0525 3.0525 3.0638 3.0638 3.4854 3.4854 3.4924 3.4924 4.3934 4.3934 4.3945 4.3945 4.9709 4.9709 4.9730 4.9730 7.2768 7.2768 7.2919 7.2919 9.7563 9.7563 9.7594 9.7594 12.3458 12.3458 k = 0.5000 0.1058-0.0000 ( 5072 PWs) bands (ev): -10.5170 -10.5170 -10.5169 -10.5169 -10.4021 -10.4021 -10.4015 -10.4015 -1.8371 -1.8371 -1.8354 -1.8354 -0.1975 -0.1975 -0.1952 -0.1952 0.3723 0.3723 0.3887 0.3887 0.7514 0.7514 0.7654 0.7654 1.1714 1.1714 1.1748 1.1748 2.6042 2.6042 2.6057 2.6057 3.0613 3.0613 3.0733 3.0733 3.4848 3.4848 3.4925 3.4925 4.4025 4.4025 4.4036 4.4036 4.9749 4.9749 4.9772 4.9772 7.2742 7.2742 7.2908 7.2908 9.7567 9.7567 9.7599 9.7599 12.2725 12.2725 k = 0.5000 0.1164-0.0000 ( 5076 PWs) bands (ev): -10.5165 -10.5165 -10.5163 -10.5163 -10.3980 -10.3980 -10.3974 -10.3974 -1.8319 -1.8319 -1.8301 -1.8301 -0.1940 -0.1940 -0.1914 -0.1914 0.3671 0.3671 0.3849 0.3849 0.7498 0.7498 0.7649 0.7649 1.1413 1.1413 1.1445 1.1445 2.5975 2.5975 2.5991 2.5991 3.0707 3.0707 3.0834 3.0834 3.4842 3.4842 3.4927 3.4927 4.4127 4.4127 4.4140 4.4140 4.9793 4.9793 4.9818 4.9818 7.2715 7.2715 7.2895 7.2895 9.7566 9.7566 9.7600 9.7600 12.1844 12.1844 k = 0.5000 0.1270-0.0000 ( 5068 PWs) bands (ev): -10.5158 -10.5158 -10.5156 -10.5156 -10.3936 -10.3936 -10.3930 -10.3930 -1.8263 -1.8263 -1.8243 -1.8243 -0.1902 -0.1902 -0.1872 -0.1872 0.3616 0.3616 0.3807 0.3807 0.7479 0.7479 0.7640 0.7640 1.1099 1.1099 1.1127 1.1127 2.5899 2.5899 2.5916 2.5916 3.0806 3.0806 3.0937 3.0937 3.4838 3.4838 3.4931 3.4931 4.4242 4.4242 4.4257 4.4257 4.9840 4.9840 4.9868 4.9868 7.2687 7.2687 7.2880 7.2880 9.7561 9.7561 9.7594 9.7594 12.0845 12.0845 k = 0.5000 0.1376-0.0000 ( 5078 PWs) bands (ev): -10.5150 -10.5150 -10.5148 -10.5148 -10.3891 -10.3891 -10.3885 -10.3885 -1.8204 -1.8204 -1.8183 -1.8183 -0.1860 -0.1860 -0.1827 -0.1827 0.3557 0.3557 0.3760 0.3760 0.7458 0.7458 0.7626 0.7626 1.0775 1.0775 1.0797 1.0797 2.5815 2.5815 2.5834 2.5834 3.0907 3.0907 3.1042 3.1042 3.4836 3.4836 3.4935 3.4935 4.4369 4.4369 4.4387 4.4387 4.9891 4.9891 4.9923 4.9923 7.2659 7.2659 7.2864 7.2864 9.7549 9.7549 9.7582 9.7582 11.9757 11.9757 k = 0.5000 0.1482-0.0000 ( 5082 PWs) bands (ev): -10.5142 -10.5142 -10.5140 -10.5140 -10.3844 -10.3844 -10.3837 -10.3837 -1.8142 -1.8142 -1.8119 -1.8119 -0.1816 -0.1816 -0.1778 -0.1778 0.3494 0.3494 0.3710 0.3710 0.7433 0.7433 0.7608 0.7608 1.0445 1.0445 1.0458 1.0458 2.5724 2.5724 2.5744 2.5744 3.1010 3.1010 3.1148 3.1148 3.4836 3.4836 3.4941 3.4941 4.4509 4.4509 4.4531 4.4531 4.9946 4.9946 4.9981 4.9981 7.2630 7.2630 7.2847 7.2847 9.7531 9.7531 9.7563 9.7563 11.8606 11.8606 k = 0.5000 0.1588-0.0000 ( 5082 PWs) bands (ev): -10.5132 -10.5132 -10.5131 -10.5131 -10.3795 -10.3795 -10.3788 -10.3788 -1.8078 -1.8078 -1.8053 -1.8053 -0.1768 -0.1768 -0.1726 -0.1726 0.3428 0.3428 0.3656 0.3656 0.7405 0.7405 0.7582 0.7582 1.0113 1.0113 1.0115 1.0115 2.5625 2.5625 2.5647 2.5647 3.1114 3.1114 3.1254 3.1254 3.4838 3.4838 3.4949 3.4949 4.4663 4.4663 4.4688 4.4688 5.0005 5.0005 5.0044 5.0044 7.2601 7.2601 7.2829 7.2829 9.7506 9.7506 9.7537 9.7537 11.7410 11.7410 k = 0.5000 0.1693-0.0000 ( 5074 PWs) bands (ev): -10.5122 -10.5122 -10.5120 -10.5120 -10.3744 -10.3744 -10.3737 -10.3737 -1.8012 -1.8012 -1.7985 -1.7985 -0.1717 -0.1717 -0.1670 -0.1670 0.3358 0.3358 0.3598 0.3598 0.7372 0.7372 0.7548 0.7548 0.9768 0.9768 0.9785 0.9785 2.5520 2.5520 2.5544 2.5544 3.1217 3.1217 3.1357 3.1357 3.4842 3.4842 3.4959 3.4959 4.4829 4.4829 4.4861 4.4861 5.0066 5.0066 5.0111 5.0111 7.2572 7.2572 7.2810 7.2810 9.7473 9.7473 9.7502 9.7502 11.6185 11.6185 k = 0.5000 0.1799-0.0000 ( 5066 PWs) bands (ev): -10.5111 -10.5111 -10.5109 -10.5109 -10.3693 -10.3693 -10.3686 -10.3686 -1.7943 -1.7943 -1.7915 -1.7915 -0.1663 -0.1663 -0.1611 -0.1611 0.3284 0.3284 0.3536 0.3536 0.7334 0.7334 0.7501 0.7501 0.9423 0.9423 0.9464 0.9464 2.5410 2.5410 2.5435 2.5435 3.1317 3.1317 3.1457 3.1457 3.4849 3.4849 3.4971 3.4971 4.5008 4.5008 4.5047 4.5047 5.0131 5.0131 5.0183 5.0183 7.2544 7.2544 7.2790 7.2790 9.7432 9.7432 9.7459 9.7459 11.4944 11.4944 k = 0.5000 0.1905-0.0000 ( 5074 PWs) bands (ev): -10.5099 -10.5099 -10.5097 -10.5097 -10.3641 -10.3641 -10.3634 -10.3634 -1.7874 -1.7874 -1.7845 -1.7845 -0.1606 -0.1606 -0.1550 -0.1550 0.3207 0.3207 0.3470 0.3470 0.7287 0.7287 0.7438 0.7438 0.9083 0.9083 0.9159 0.9159 2.5295 2.5295 2.5322 2.5322 3.1413 3.1413 3.1553 3.1553 3.4860 3.4860 3.4985 3.4985 4.5200 4.5200 4.5248 4.5248 5.0199 5.0199 5.0259 5.0259 7.2516 7.2516 7.2769 7.2769 9.7382 9.7382 9.7407 9.7407 11.3695 11.3695 k = 0.5000 0.2011-0.0000 ( 5070 PWs) bands (ev): -10.5086 -10.5086 -10.5085 -10.5085 -10.3589 -10.3589 -10.3581 -10.3581 -1.7804 -1.7804 -1.7773 -1.7773 -0.1546 -0.1546 -0.1485 -0.1485 0.3126 0.3126 0.3402 0.3402 0.7230 0.7230 0.7351 0.7351 0.8754 0.8754 0.8878 0.8878 2.5177 2.5177 2.5205 2.5205 3.1504 3.1504 3.1643 3.1643 3.4873 3.4873 3.5000 3.5000 4.5404 4.5404 4.5463 4.5463 5.0271 5.0271 5.0340 5.0340 7.2488 7.2488 7.2748 7.2748 9.7323 9.7323 9.7347 9.7347 11.2448 11.2448 k = 0.5000 0.2117-0.0000 ( 5076 PWs) bands (ev): -10.5073 -10.5073 -10.5072 -10.5072 -10.3537 -10.3537 -10.3529 -10.3529 -1.7733 -1.7733 -1.7701 -1.7701 -0.1483 -0.1483 -0.1418 -0.1418 0.3042 0.3042 0.3330 0.3330 0.7158 0.7158 0.7233 0.7233 0.8442 0.8442 0.8631 0.8631 2.5057 2.5057 2.5086 2.5086 3.1590 3.1590 3.1727 3.1727 3.4890 3.4890 3.5018 3.5018 4.5618 4.5618 4.5690 4.5690 5.0346 5.0346 5.0428 5.0428 7.2462 7.2462 7.2727 7.2727 9.7255 9.7255 9.7278 9.7278 11.1210 11.1210 k = 0.5000 0.2223-0.0000 ( 5084 PWs) bands (ev): -10.5059 -10.5059 -10.5058 -10.5058 -10.3484 -10.3484 -10.3477 -10.3477 -1.7663 -1.7663 -1.7629 -1.7629 -0.1418 -0.1418 -0.1348 -0.1348 0.2955 0.2955 0.3256 0.3256 0.7064 0.7064 0.7078 0.7078 0.8156 0.8156 0.8426 0.8426 2.4936 2.4936 2.4966 2.4966 3.1668 3.1668 3.1805 3.1805 3.4909 3.4909 3.5037 3.5037 4.5841 4.5841 4.5929 4.5929 5.0424 5.0424 5.0521 5.0521 7.2437 7.2437 7.2706 7.2706 9.7178 9.7178 9.7200 9.7200 10.9988 10.9988 k = 0.5000 0.2328-0.0000 ( 5088 PWs) bands (ev): -10.5045 -10.5045 -10.5044 -10.5044 -10.3432 -10.3432 -10.3425 -10.3425 -1.7593 -1.7593 -1.7558 -1.7558 -0.1351 -0.1351 -0.1277 -0.1277 0.2865 0.2865 0.3179 0.3179 0.6885 0.6885 0.6937 0.6937 0.7908 0.7908 0.8265 0.8265 2.4815 2.4815 2.4846 2.4846 3.1739 3.1739 3.1875 3.1875 3.4931 3.4931 3.5058 3.5058 4.6071 4.6071 4.6177 4.6177 5.0508 5.0508 5.0622 5.0622 7.2413 7.2413 7.2685 7.2685 9.7089 9.7089 9.7112 9.7112 10.8789 10.8789 k = 0.5000 0.2434-0.0000 ( 5084 PWs) bands (ev): -10.5031 -10.5031 -10.5030 -10.5030 -10.3381 -10.3381 -10.3373 -10.3373 -1.7524 -1.7524 -1.7488 -1.7488 -0.1281 -0.1281 -0.1204 -0.1204 0.2772 0.2772 0.3101 0.3101 0.6662 0.6662 0.6770 0.6770 0.7709 0.7709 0.8144 0.8144 2.4696 2.4696 2.4727 2.4727 3.1803 3.1803 3.1937 3.1937 3.4956 3.4956 3.5079 3.5079 4.6305 4.6305 4.6433 4.6433 5.0596 5.0596 5.0732 5.0732 7.2391 7.2391 7.2664 7.2664 9.6988 9.6988 9.7015 9.7015 10.7619 10.7619 k = 0.5000 0.2540-0.0000 ( 5080 PWs) bands (ev): -10.5016 -10.5016 -10.5016 -10.5016 -10.3331 -10.3331 -10.3323 -10.3323 -1.7456 -1.7456 -1.7419 -1.7419 -0.1210 -0.1210 -0.1129 -0.1129 0.2677 0.2677 0.3021 0.3021 0.6418 0.6418 0.6564 0.6564 0.7557 0.7557 0.8052 0.8052 2.4578 2.4578 2.4610 2.4610 3.1858 3.1858 3.1992 3.1992 3.4982 3.4982 3.5102 3.5102 4.6540 4.6540 4.6694 4.6694 5.0691 5.0691 5.0851 5.0851 7.2371 7.2371 7.2644 7.2644 9.6874 9.6874 9.6906 9.6906 10.6486 10.6486 k = 0.5000 0.2646-0.0000 ( 5072 PWs) bands (ev): -10.5002 -10.5002 -10.5002 -10.5002 -10.3282 -10.3282 -10.3274 -10.3274 -1.7390 -1.7390 -1.7351 -1.7351 -0.1137 -0.1137 -0.1054 -0.1054 0.2580 0.2580 0.2941 0.2941 0.6165 0.6165 0.6331 0.6331 0.7443 0.7443 0.7982 0.7982 2.4464 2.4464 2.4496 2.4496 3.1906 3.1906 3.2040 3.2040 3.5010 3.5010 3.5125 3.5125 4.6775 4.6775 4.6956 4.6956 5.0793 5.0793 5.0981 5.0981 7.2353 7.2353 7.2625 7.2625 9.6743 9.6743 9.6786 9.6786 10.5398 10.5398 k = 0.5000 0.2752-0.0000 ( 5068 PWs) bands (ev): -10.4988 -10.4988 -10.4987 -10.4987 -10.3235 -10.3235 -10.3227 -10.3227 -1.7326 -1.7326 -1.7286 -1.7286 -0.1063 -0.1063 -0.0979 -0.0979 0.2482 0.2482 0.2861 0.2861 0.5911 0.5911 0.6085 0.6085 0.7354 0.7354 0.7926 0.7926 2.4354 2.4354 2.4386 2.4386 3.1946 3.1946 3.2080 3.2080 3.5039 3.5039 3.5148 3.5148 4.7003 4.7003 4.7215 4.7215 5.0903 5.0903 5.1122 5.1122 7.2338 7.2338 7.2607 7.2607 9.6593 9.6593 9.6651 9.6651 10.4363 10.4363 k = 0.5000 0.2858-0.0000 ( 5074 PWs) bands (ev): -10.4974 -10.4974 -10.4973 -10.4973 -10.3189 -10.3189 -10.3181 -10.3181 -1.7264 -1.7264 -1.7224 -1.7224 -0.0988 -0.0988 -0.0904 -0.0904 0.2383 0.2383 0.2783 0.2783 0.5660 0.5660 0.5836 0.5836 0.7281 0.7281 0.7880 0.7880 2.4249 2.4249 2.4280 2.4280 3.1980 3.1980 3.2114 3.2114 3.5068 3.5068 3.5170 3.5170 4.7224 4.7224 4.7469 4.7469 5.1022 5.1022 5.1276 5.1276 7.2325 7.2325 7.2590 7.2590 9.6419 9.6419 9.6500 9.6500 10.3390 10.3390 k = 0.5000 0.2963-0.0000 ( 5078 PWs) bands (ev): -10.4960 -10.4960 -10.4960 -10.4960 -10.3146 -10.3146 -10.3138 -10.3138 -1.7205 -1.7205 -1.7164 -1.7164 -0.0914 -0.0914 -0.0831 -0.0831 0.2285 0.2285 0.2708 0.2708 0.5417 0.5417 0.5591 0.5591 0.7217 0.7217 0.7840 0.7840 2.4150 2.4150 2.4180 2.4180 3.2007 3.2007 3.2142 3.2142 3.5097 3.5097 3.5192 3.5192 4.7432 4.7432 4.7712 4.7712 5.1151 5.1151 5.1442 5.1442 7.2314 7.2314 7.2574 7.2574 9.6215 9.6215 9.6328 9.6328 10.2491 10.2491 k = 0.5000 0.3069-0.0000 ( 5086 PWs) bands (ev): -10.4947 -10.4947 -10.4946 -10.4946 -10.3104 -10.3104 -10.3096 -10.3096 -1.7150 -1.7150 -1.7108 -1.7108 -0.0839 -0.0839 -0.0760 -0.0760 0.2189 0.2189 0.2637 0.2637 0.5185 0.5185 0.5355 0.5355 0.7161 0.7161 0.7806 0.7806 2.4056 2.4056 2.4086 2.4086 3.2029 3.2029 3.2165 3.2165 3.5126 3.5126 3.5214 3.5214 4.7626 4.7626 4.7941 4.7941 5.1292 5.1292 5.1620 5.1620 7.2306 7.2306 7.2559 7.2559 9.5976 9.5976 9.6132 9.6132 10.1677 10.1677 k = 0.5000 0.3175-0.0000 ( 5090 PWs) bands (ev): -10.4934 -10.4934 -10.4934 -10.4934 -10.3065 -10.3065 -10.3057 -10.3057 -1.7098 -1.7098 -1.7055 -1.7055 -0.0767 -0.0767 -0.0692 -0.0692 0.2096 0.2096 0.2572 0.2572 0.4965 0.4965 0.5128 0.5128 0.7110 0.7110 0.7777 0.7777 2.3969 2.3969 2.3998 2.3998 3.2045 3.2045 3.2182 3.2182 3.5154 3.5154 3.5234 3.5234 4.7803 4.7803 4.8152 4.8152 5.1442 5.1442 5.1808 5.1808 7.2301 7.2301 7.2546 7.2546 9.5697 9.5697 9.5906 9.5906 10.0958 10.0958 k = 0.5000 0.3281-0.0000 ( 5090 PWs) bands (ev): -10.4922 -10.4922 -10.4922 -10.4922 -10.3029 -10.3029 -10.3021 -10.3021 -1.7049 -1.7049 -1.7005 -1.7005 -0.0696 -0.0696 -0.0629 -0.0629 0.2008 0.2008 0.2514 0.2514 0.4759 0.4759 0.4914 0.4914 0.7064 0.7064 0.7750 0.7750 2.3889 2.3889 2.3917 2.3917 3.2057 3.2057 3.2196 3.2196 3.5180 3.5180 3.5252 3.5252 4.7962 4.7962 4.8343 4.8343 5.1601 5.1601 5.2004 5.2004 7.2298 7.2298 7.2534 7.2534 9.5375 9.5375 9.5648 9.5648 10.0342 10.0342 k = 0.5000 0.3387-0.0000 ( 5114 PWs) bands (ev): -10.4911 -10.4911 -10.4911 -10.4911 -10.2996 -10.2996 -10.2987 -10.2987 -1.7005 -1.7005 -1.6960 -1.6960 -0.0628 -0.0628 -0.0570 -0.0570 0.1924 0.1924 0.2464 0.2464 0.4568 0.4568 0.4712 0.4712 0.7021 0.7021 0.7727 0.7727 2.3816 2.3816 2.3843 2.3843 3.2066 3.2066 3.2205 3.2205 3.5204 3.5204 3.5269 3.5269 4.8103 4.8103 4.8512 4.8512 5.1767 5.1767 5.2203 5.2203 7.2298 7.2298 7.2524 7.2524 9.5016 9.5016 9.5357 9.5357 9.9829 9.9829 k = 0.5000 0.3493-0.0000 ( 5106 PWs) bands (ev): -10.4901 -10.4901 -10.4900 -10.4900 -10.2965 -10.2965 -10.2957 -10.2957 -1.6964 -1.6964 -1.6919 -1.6919 -0.0564 -0.0564 -0.0516 -0.0516 0.1848 0.1848 0.2423 0.2423 0.4393 0.4393 0.4525 0.4525 0.6983 0.6983 0.7706 0.7706 2.3751 2.3751 2.3777 2.3777 3.2072 3.2072 3.2212 3.2212 3.5227 3.5227 3.5285 3.5285 4.8225 4.8225 4.8659 4.8659 5.1935 5.1935 5.2402 5.2402 7.2299 7.2299 7.2516 7.2516 9.4630 9.4630 9.5038 9.5038 9.9416 9.9416 k = 0.5000 0.3599-0.0000 ( 5098 PWs) bands (ev): -10.4892 -10.4892 -10.4891 -10.4891 -10.2938 -10.2938 -10.2930 -10.2930 -1.6928 -1.6928 -1.6882 -1.6882 -0.0505 -0.0505 -0.0469 -0.0469 0.1779 0.1779 0.2393 0.2393 0.4235 0.4235 0.4352 0.4352 0.6949 0.6949 0.7688 0.7688 2.3693 2.3693 2.3718 2.3718 3.2075 3.2075 3.2217 3.2217 3.5247 3.5247 3.5299 3.5299 4.8329 4.8329 4.8784 4.8784 5.2101 5.2101 5.2595 5.2595 7.2302 7.2302 7.2509 7.2509 9.4234 9.4234 9.4703 9.4703 9.9089 9.9089 k = 0.5000 0.3704-0.0000 ( 5098 PWs) bands (ev): -10.4884 -10.4884 -10.4883 -10.4883 -10.2914 -10.2914 -10.2906 -10.2906 -1.6896 -1.6896 -1.6850 -1.6850 -0.0452 -0.0452 -0.0429 -0.0429 0.1719 0.1719 0.2373 0.2373 0.4095 0.4095 0.4195 0.4195 0.6918 0.6918 0.7672 0.7672 2.3643 2.3643 2.3667 2.3667 3.2077 3.2077 3.2220 3.2220 3.5265 3.5265 3.5311 3.5311 4.8416 4.8416 4.8888 4.8888 5.2259 5.2259 5.2777 5.2777 7.2307 7.2307 7.2503 7.2503 9.3848 9.3848 9.4366 9.4366 9.8836 9.8836 k = 0.5000 0.3810-0.0000 ( 5096 PWs) bands (ev): -10.4877 -10.4877 -10.4876 -10.4876 -10.2893 -10.2893 -10.2885 -10.2885 -1.6869 -1.6869 -1.6823 -1.6823 -0.0406 -0.0406 -0.0395 -0.0395 0.1669 0.1669 0.2363 0.2363 0.3973 0.3973 0.4056 0.4056 0.6893 0.6893 0.7658 0.7658 2.3600 2.3600 2.3623 2.3623 3.2078 3.2078 3.2221 3.2221 3.5280 3.5280 3.5321 3.5321 4.8487 4.8487 4.8973 4.8973 5.2405 5.2405 5.2941 5.2941 7.2312 7.2312 7.2499 7.2499 9.3490 9.3490 9.4046 9.4046 9.8629 9.8629 k = 0.5000 0.3916-0.0000 ( 5100 PWs) bands (ev): -10.4871 -10.4871 -10.4870 -10.4870 -10.2877 -10.2877 -10.2868 -10.2868 -1.6847 -1.6847 -1.6800 -1.6800 -0.0368 -0.0368 -0.0367 -0.0367 0.1628 0.1628 0.2360 0.2360 0.3871 0.3871 0.3936 0.3936 0.6871 0.6871 0.7648 0.7648 2.3565 2.3565 2.3588 2.3588 3.2078 3.2078 3.2222 3.2222 3.5292 3.5292 3.5329 3.5329 4.8543 4.8543 4.9040 4.9040 5.2532 5.2532 5.3084 5.3084 7.2317 7.2317 7.2496 7.2496 9.3176 9.3176 9.3760 9.3760 9.8447 9.8447 k = 0.5000 0.4022-0.0000 ( 5088 PWs) bands (ev): -10.4866 -10.4866 -10.4865 -10.4865 -10.2863 -10.2863 -10.2855 -10.2855 -1.6829 -1.6829 -1.6782 -1.6782 -0.0348 -0.0348 -0.0336 -0.0336 0.1597 0.1597 0.2363 0.2363 0.3791 0.3791 0.3838 0.3838 0.6854 0.6854 0.7639 0.7639 2.3538 2.3538 2.3560 2.3560 3.2077 3.2077 3.2222 3.2222 3.5302 3.5302 3.5336 3.5336 4.8586 4.8586 4.9091 4.9091 5.2636 5.2636 5.3201 5.3201 7.2322 7.2322 7.2493 7.2493 9.2919 9.2919 9.3523 9.3523 9.8315 9.8315 k = 0.5000 0.4128-0.0000 ( 5092 PWs) bands (ev): -10.4863 -10.4863 -10.4862 -10.4862 -10.2854 -10.2854 -10.2846 -10.2846 -1.6817 -1.6817 -1.6769 -1.6769 -0.0334 -0.0334 -0.0314 -0.0314 0.1575 0.1575 0.2368 0.2368 0.3732 0.3732 0.3764 0.3764 0.6842 0.6842 0.7633 0.7633 2.3519 2.3519 2.3540 2.3540 3.2077 3.2077 3.2222 3.2222 3.5309 3.5309 3.5341 3.5341 4.8616 4.8616 4.9126 4.9126 5.2713 5.2713 5.3286 5.3286 7.2326 7.2326 7.2492 7.2492 9.2729 9.2729 9.3346 9.3346 9.8226 9.8226 k = 0.5000 0.4234-0.0000 ( 5092 PWs) bands (ev): -10.4861 -10.4861 -10.4860 -10.4860 -10.2848 -10.2848 -10.2840 -10.2840 -1.6809 -1.6809 -1.6762 -1.6762 -0.0325 -0.0325 -0.0300 -0.0300 0.1562 0.1562 0.2373 0.2373 0.3697 0.3697 0.3719 0.3719 0.6835 0.6835 0.7629 0.7629 2.3507 2.3507 2.3528 2.3528 3.2077 3.2077 3.2222 3.2222 3.5314 3.5314 3.5343 3.5343 4.8634 4.8634 4.9146 4.9146 5.2761 5.2761 5.3339 5.3339 7.2328 7.2328 7.2491 7.2491 9.2612 9.2612 9.3236 9.3236 9.8175 9.8175 k = 0.5000 0.4339-0.0000 ( 5092 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6807 -1.6807 -1.6759 -1.6759 -0.0323 -0.0323 -0.0296 -0.0296 0.1557 0.1557 0.2375 0.2375 0.3685 0.3685 0.3703 0.3703 0.6832 0.6832 0.7628 0.7628 2.3503 2.3503 2.3524 2.3524 3.2076 3.2076 3.2222 3.2222 3.5315 3.5315 3.5344 3.5344 4.8640 4.8640 4.9153 4.9153 5.2777 5.2777 5.3357 5.3357 7.2329 7.2329 7.2491 7.2491 9.2573 9.2573 9.3199 9.3199 9.8158 9.8158 k = 0.5000 0.4339-0.0000 ( 5092 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6807 -1.6807 -1.6759 -1.6759 -0.0323 -0.0323 -0.0296 -0.0296 0.1557 0.1557 0.2375 0.2375 0.3685 0.3685 0.3703 0.3703 0.6832 0.6832 0.7628 0.7628 2.3503 2.3503 2.3524 2.3524 3.2076 3.2076 3.2222 3.2222 3.5315 3.5315 3.5344 3.5344 4.8640 4.8640 4.9153 4.9153 5.2777 5.2777 5.3357 5.3357 7.2329 7.2329 7.2491 7.2491 9.2573 9.2573 9.3199 9.3199 9.8158 9.8158 k = 0.4894 0.4339-0.0000 ( 5092 PWs) bands (ev): -10.4859 -10.4859 -10.4858 -10.4858 -10.2857 -10.2857 -10.2848 -10.2848 -1.6779 -1.6779 -1.6731 -1.6731 -0.0513 -0.0513 -0.0443 -0.0443 0.1738 0.1738 0.2514 0.2514 0.3707 0.3707 0.3722 0.3722 0.6803 0.6803 0.7603 0.7603 2.3459 2.3459 2.3475 2.3475 3.2125 3.2125 3.2264 3.2264 3.5335 3.5335 3.5362 3.5362 4.8631 4.8631 4.9145 4.9145 5.2771 5.2771 5.3349 5.3349 7.2302 7.2302 7.2464 7.2464 9.2592 9.2592 9.3213 9.3213 9.8191 9.8191 k = 0.4787 0.4339-0.0000 ( 5102 PWs) bands (ev): -10.4855 -10.4855 -10.4854 -10.4854 -10.2888 -10.2888 -10.2879 -10.2879 -1.6696 -1.6696 -1.6647 -1.6647 -0.0948 -0.0948 -0.0812 -0.0812 0.2132 0.2132 0.2834 0.2834 0.3786 0.3786 0.3796 0.3796 0.6716 0.6716 0.7530 0.7530 2.3329 2.3329 2.3331 2.3331 3.2266 3.2266 3.2387 3.2387 3.5396 3.5396 3.5416 3.5416 4.8603 4.8603 4.9122 4.9122 5.2754 5.2754 5.3326 5.3326 7.2223 7.2223 7.2384 7.2384 9.2651 9.2651 9.3253 9.3253 9.8289 9.8289 k = 0.4681 0.4339-0.0000 ( 5110 PWs) bands (ev): -10.4848 -10.4848 -10.4847 -10.4847 -10.2939 -10.2939 -10.2931 -10.2931 -1.6558 -1.6558 -1.6507 -1.6507 -0.1474 -0.1474 -0.1288 -0.1288 0.2547 0.2547 0.3130 0.3130 0.3926 0.3926 0.4038 0.4038 0.6578 0.6578 0.7421 0.7421 2.3102 2.3102 2.3121 2.3121 3.2491 3.2491 3.2584 3.2584 3.5495 3.5495 3.5502 3.5502 4.8557 4.8557 4.9083 4.9083 5.2725 5.2725 5.3288 5.3288 7.2092 7.2092 7.2253 7.2253 9.2747 9.2747 9.3321 9.3321 9.8452 9.8452 k = 0.4574 0.4339-0.0000 ( 5102 PWs) bands (ev): -10.4839 -10.4839 -10.4837 -10.4837 -10.3011 -10.3011 -10.3002 -10.3002 -1.6365 -1.6365 -1.6312 -1.6312 -0.2027 -0.2027 -0.1809 -0.1809 0.2860 0.2860 0.3273 0.3273 0.4184 0.4184 0.4488 0.4488 0.6405 0.6405 0.7294 0.7294 2.2801 2.2801 2.2845 2.2845 3.2786 3.2786 3.2844 3.2844 3.5618 3.5618 3.5629 3.5629 4.8494 4.8494 4.9030 4.9030 5.2687 5.2687 5.3237 5.3237 7.1912 7.1912 7.2072 7.2072 9.2882 9.2882 9.3417 9.3417 9.8679 9.8679 k = 0.4468 0.4339-0.0000 ( 5106 PWs) bands (ev): -10.4828 -10.4828 -10.4826 -10.4826 -10.3102 -10.3102 -10.3093 -10.3093 -1.6118 -1.6118 -1.6062 -1.6062 -0.2584 -0.2584 -0.2343 -0.2343 0.3029 0.3029 0.3305 0.3305 0.4544 0.4544 0.5036 0.5036 0.6233 0.6233 0.7189 0.7189 2.2441 2.2441 2.2514 2.2514 3.3135 3.3135 3.3153 3.3153 3.5760 3.5760 3.5793 3.5793 4.8414 4.8414 4.8962 4.8962 5.2639 5.2639 5.3173 5.3173 7.1684 7.1684 7.1844 7.1844 9.3054 9.3054 9.3544 9.3544 9.8968 9.8968 k = 0.4362 0.4339-0.0000 ( 5110 PWs) bands (ev): -10.4814 -10.4814 -10.4812 -10.4812 -10.3212 -10.3212 -10.3203 -10.3203 -1.5819 -1.5819 -1.5759 -1.5759 -0.3134 -0.3134 -0.2875 -0.2875 0.3085 0.3085 0.3271 0.3271 0.4895 0.4895 0.5460 0.5460 0.6231 0.6231 0.7179 0.7179 2.2036 2.2036 2.2139 2.2139 3.3499 3.3499 3.3525 3.3525 3.5923 3.5923 3.5982 3.5982 4.8318 4.8318 4.8882 4.8882 5.2583 5.2583 5.3098 5.3098 7.1414 7.1414 7.1574 7.1574 9.3264 9.3264 9.3702 9.3702 9.9317 9.9317 k = 0.4255 0.4339-0.0000 ( 5110 PWs) bands (ev): -10.4798 -10.4798 -10.4795 -10.4795 -10.3340 -10.3340 -10.3331 -10.3331 -1.5469 -1.5469 -1.5403 -1.5403 -0.3672 -0.3672 -0.3396 -0.3396 0.3057 0.3057 0.3174 0.3174 0.5112 0.5112 0.5459 0.5459 0.6692 0.6692 0.7359 0.7359 2.1597 2.1597 2.1730 2.1730 3.3872 3.3872 3.3943 3.3943 3.6101 3.6101 3.6191 3.6191 4.8207 4.8207 4.8791 4.8791 5.2520 5.2520 5.3014 5.3014 7.1104 7.1104 7.1264 7.1264 9.3510 9.3510 9.3892 9.3892 9.9724 9.9724 k = 0.4149 0.4339-0.0000 ( 5114 PWs) bands (ev): -10.4780 -10.4780 -10.4777 -10.4777 -10.3485 -10.3485 -10.3475 -10.3475 -1.5069 -1.5069 -1.4995 -1.4995 -0.4195 -0.4195 -0.3902 -0.3902 0.2952 0.2952 0.3000 0.3000 0.5161 0.5161 0.5306 0.5306 0.7357 0.7357 0.7758 0.7758 2.1133 2.1133 2.1296 2.1296 3.4260 3.4260 3.4377 3.4377 3.6289 3.6289 3.6415 3.6415 4.8083 4.8083 4.8689 4.8689 5.2453 5.2453 5.2921 5.2921 7.0759 7.0759 7.0921 7.0921 9.3793 9.3793 9.4115 9.4115 10.0185 10.0185 k = 0.4043 0.4339-0.0000 ( 5122 PWs) bands (ev): -10.4761 -10.4761 -10.4757 -10.4757 -10.3645 -10.3645 -10.3635 -10.3635 -1.4621 -1.4621 -1.4538 -1.4538 -0.4700 -0.4700 -0.4390 -0.4390 0.2737 0.2737 0.2758 0.2758 0.5117 0.5117 0.5170 0.5170 0.8069 0.8069 0.8314 0.8314 2.0652 2.0652 2.0845 2.0845 3.4654 3.4654 3.4818 3.4818 3.6484 3.6484 3.6650 3.6650 4.7947 4.7947 4.8580 4.8580 5.2382 5.2382 5.2824 5.2824 7.0385 7.0385 7.0548 7.0548 9.4110 9.4110 9.4372 9.4372 10.0697 10.0697 k = 0.3936 0.4339-0.0000 ( 5122 PWs) bands (ev): -10.4742 -10.4742 -10.4737 -10.4737 -10.3820 -10.3820 -10.3809 -10.3809 -1.4128 -1.4128 -1.4033 -1.4033 -0.5185 -0.5185 -0.4857 -0.4857 0.2382 0.2382 0.2471 0.2471 0.5061 0.5061 0.5087 0.5087 0.8796 0.8796 0.8953 0.8953 2.0160 2.0160 2.0383 2.0383 3.5043 3.5043 3.5253 3.5253 3.6683 3.6683 3.6891 3.6891 4.7801 4.7801 4.8464 4.8464 5.2309 5.2309 5.2722 5.2722 6.9986 6.9986 7.0151 7.0151 9.4462 9.4462 9.4663 9.4663 10.1255 10.1255 k = 0.3830 0.4339-0.0000 ( 5120 PWs) bands (ev): -10.4725 -10.4725 -10.4718 -10.4718 -10.4005 -10.4005 -10.3993 -10.3993 -1.3592 -1.3592 -1.3482 -1.3482 -0.5651 -0.5651 -0.5301 -0.5301 0.1949 0.1949 0.2095 0.2095 0.5032 0.5032 0.5059 0.5059 0.9527 0.9527 0.9634 0.9634 1.9663 1.9663 1.9917 1.9917 3.5417 3.5417 3.5674 3.5674 3.6884 3.6884 3.7138 3.7138 4.7648 4.7648 4.8345 4.8345 5.2235 5.2235 5.2618 5.2618 6.9569 6.9569 6.9737 6.9737 9.4847 9.4847 9.4988 9.4988 10.1855 10.1855 k = 0.3723 0.4339-0.0000 ( 5116 PWs) bands (ev): -10.4715 -10.4715 -10.4705 -10.4705 -10.4196 -10.4196 -10.4180 -10.4180 -1.3018 -1.3018 -1.2888 -1.2888 -0.6095 -0.6095 -0.5720 -0.5720 0.1456 0.1456 0.1646 0.1646 0.5041 0.5041 0.5074 0.5074 1.0253 1.0253 1.0334 1.0334 1.9166 1.9166 1.9452 1.9452 3.5763 3.5763 3.6066 3.6066 3.7089 3.7089 3.7392 3.7392 4.7491 4.7491 4.8225 4.8225 5.2162 5.2162 5.2513 5.2513 6.9138 6.9138 6.9309 6.9309 9.5263 9.5263 9.5347 9.5347 10.2492 10.2492 k = 0.3617 0.4339-0.0000 ( 5120 PWs) bands (ev): -10.4730 -10.4730 -10.4715 -10.4715 -10.4374 -10.4374 -10.4353 -10.4353 -1.2410 -1.2410 -1.2253 -1.2253 -0.6519 -0.6519 -0.6111 -0.6111 0.0922 0.0922 0.1143 0.1143 0.5083 0.5083 0.5123 0.5123 1.0966 1.0966 1.1038 1.1038 1.8674 1.8674 1.8994 1.8994 3.6068 3.6068 3.6417 3.6417 3.7304 3.7304 3.7657 3.7657 4.7333 4.7333 4.8106 4.8106 5.2090 5.2090 5.2410 5.2410 6.8701 6.8701 6.8876 6.8876 9.5710 9.5710 9.5739 9.5739 10.3159 10.3159 k = 0.3511 0.4339-0.0000 ( 5116 PWs) bands (ev): -10.4817 -10.4817 -10.4803 -10.4803 -10.4483 -10.4483 -10.4463 -10.4463 -1.1777 -1.1777 -1.1581 -1.1581 -0.6920 -0.6920 -0.6470 -0.6470 0.0362 0.0362 0.0604 0.0604 0.5152 0.5152 0.5197 0.5197 1.1658 1.1658 1.1733 1.1733 1.8192 1.8192 1.8551 1.8551 3.6320 3.6320 3.6713 3.6713 3.7532 3.7532 3.7935 3.7935 4.7177 4.7177 4.7991 4.7991 5.2020 5.2020 5.2309 5.2309 6.8262 6.8262 6.8441 6.8441 9.6161 9.6161 9.6184 9.6184 10.3849 10.3849 k = 0.3404 0.4339-0.0000 ( 5104 PWs) bands (ev): -10.4995 -10.4995 -10.4987 -10.4987 -10.4504 -10.4504 -10.4490 -10.4490 -1.1130 -1.1130 -1.0877 -1.0877 -0.7300 -0.7300 -0.6792 -0.6792 -0.0209 -0.0209 0.0046 0.0046 0.5243 0.5243 0.5291 0.5291 1.2315 1.2315 1.2407 1.2407 1.7730 1.7730 1.8135 1.8135 3.6511 3.6511 3.6947 3.6947 3.7774 3.7774 3.8227 3.8227 4.7027 4.7027 4.7882 4.7882 5.1954 5.1954 5.2212 5.2212 6.7828 6.7828 6.8011 6.8011 9.6613 9.6613 9.6685 9.6685 10.4555 10.4555 k = 0.3298 0.4339-0.0000 ( 5100 PWs) bands (ev): -10.5219 -10.5219 -10.5215 -10.5215 -10.4488 -10.4488 -10.4479 -10.4479 -1.0488 -1.0488 -1.0149 -1.0149 -0.7657 -0.7657 -0.7064 -0.7064 -0.0776 -0.0776 -0.0518 -0.0518 0.5351 0.5351 0.5400 0.5400 1.2919 1.2919 1.3043 1.3043 1.7302 1.7302 1.7761 1.7761 3.6642 3.6642 3.7120 3.7120 3.8024 3.8024 3.8523 3.8523 4.6886 4.6886 4.7781 4.7781 5.1893 5.1893 5.2120 5.2120 6.7405 6.7405 6.7593 6.7593 9.7091 9.7091 9.7208 9.7208 10.5267 10.5267 k = 0.3191 0.4339-0.0000 ( 5100 PWs) bands (ev): -10.5462 -10.5462 -10.5460 -10.5460 -10.4461 -10.4461 -10.4453 -10.4453 -0.9891 -0.9891 -0.9409 -0.9409 -0.7989 -0.7989 -0.7260 -0.7260 -0.1323 -0.1323 -0.1071 -0.1071 0.5472 0.5472 0.5521 0.5521 1.3440 1.3440 1.3607 1.3607 1.6936 1.6936 1.7457 1.7457 3.6719 3.6719 3.7236 3.7236 3.8270 3.8270 3.8812 3.8812 4.6758 4.6758 4.7691 4.7691 5.1836 5.1836 5.2035 5.2035 6.6999 6.6999 6.7190 6.7190 9.7594 9.7594 9.7752 9.7752 10.5976 10.5976 k = 0.3085 0.4339-0.0000 ( 5092 PWs) bands (ev): -10.5715 -10.5715 -10.5714 -10.5714 -10.4428 -10.4428 -10.4422 -10.4422 -0.9410 -0.9410 -0.8711 -0.8711 -0.8256 -0.8256 -0.7331 -0.7331 -0.1824 -0.1824 -0.1593 -0.1593 0.5605 0.5605 0.5652 0.5652 1.3832 1.3832 1.4041 1.4041 1.6690 1.6690 1.7267 1.7267 3.6751 3.6751 3.7303 3.7303 3.8500 3.8500 3.9079 3.9079 4.6649 4.6649 4.7613 4.7613 5.1786 5.1786 5.1959 5.1959 6.6616 6.6616 6.6809 6.6809 9.8118 9.8118 9.8312 9.8312 10.6671 10.6671 k = 0.2979 0.4339-0.0000 ( 5100 PWs) bands (ev): -10.5975 -10.5975 -10.5975 -10.5975 -10.4393 -10.4393 -10.4388 -10.4388 -0.9138 -0.9138 -0.8666 -0.8666 -0.7875 -0.7875 -0.7219 -0.7219 -0.2241 -0.2241 -0.2055 -0.2055 0.5748 0.5748 0.5790 0.5790 1.4043 1.4043 1.4252 1.4252 1.6652 1.6652 1.7241 1.7241 3.6743 3.6743 3.7326 3.7326 3.8706 3.8706 3.9313 3.9313 4.6562 4.6562 4.7549 4.7549 5.1741 5.1741 5.1891 5.1891 6.6260 6.6260 6.6455 6.6455 9.8658 9.8658 9.8885 9.8885 10.7338 10.7338 k = 0.2872 0.4339-0.0000 ( 5106 PWs) bands (ev): -10.6240 -10.6240 -10.6240 -10.6240 -10.4356 -10.4356 -10.4351 -10.4351 -0.9085 -0.9085 -0.8929 -0.8929 -0.7240 -0.7240 -0.6978 -0.6978 -0.2509 -0.2509 -0.2406 -0.2406 0.5898 0.5898 0.5935 0.5935 1.4050 1.4050 1.4199 1.4199 1.6861 1.6861 1.7398 1.7398 3.6702 3.6702 3.7310 3.7310 3.8878 3.8878 3.9505 3.9505 4.6502 4.6502 4.7502 4.7502 5.1704 5.1704 5.1833 5.1833 6.5937 6.5937 6.6133 6.6133 9.9212 9.9212 9.9467 9.9467 10.7965 10.7965 k = 0.2766 0.4339-0.0000 ( 5110 PWs) bands (ev): -10.6508 -10.6508 -10.6507 -10.6507 -10.4317 -10.4317 -10.4314 -10.4314 -0.9191 -0.9191 -0.9160 -0.9160 -0.6785 -0.6785 -0.6744 -0.6744 -0.2562 -0.2562 -0.2541 -0.2541 0.6056 0.6056 0.6086 0.6086 1.3894 1.3894 1.3959 1.3959 1.7236 1.7236 1.7695 1.7695 3.6632 3.6632 3.7260 3.7260 3.9011 3.9011 3.9646 3.9646 4.6470 4.6470 4.7472 4.7472 5.1674 5.1674 5.1785 5.1785 6.5652 6.5652 6.5847 6.5847 9.9775 9.9775 10.0053 10.0053 10.8535 10.8535 k = 0.2660 0.4339-0.0000 ( 5106 PWs) bands (ev): -10.6776 -10.6776 -10.6775 -10.6775 -10.4278 -10.4278 -10.4275 -10.4275 -0.9442 -0.9442 -0.9289 -0.9289 -0.6777 -0.6777 -0.6492 -0.6492 -0.2425 -0.2425 -0.2274 -0.2274 0.6218 0.6218 0.6240 0.6240 1.3628 1.3628 1.3635 1.3635 1.7680 1.7680 1.8070 1.8070 3.6538 3.6538 3.7179 3.7179 3.9100 3.9100 3.9732 3.9732 4.6470 4.6470 4.7460 4.7460 5.1651 5.1651 5.1750 5.1750 6.5409 6.5409 6.5601 6.5601 10.0342 10.0342 10.0638 10.0638 10.9035 10.9035 k = 0.2553 0.4339-0.0000 ( 5098 PWs) bands (ev): -10.7044 -10.7044 -10.7042 -10.7042 -10.4239 -10.4239 -10.4236 -10.4236 -0.9683 -0.9683 -0.9438 -0.9438 -0.6965 -0.6965 -0.6510 -0.6510 -0.1969 -0.1969 -0.1731 -0.1731 0.6386 0.6386 0.6397 0.6397 1.3258 1.3258 1.3320 1.3320 1.8137 1.8137 1.8471 1.8471 3.6422 3.6422 3.7070 3.7070 3.9142 3.9142 3.9759 3.9759 4.6501 4.6501 4.7467 4.7467 5.1638 5.1638 5.1727 5.1727 6.5211 6.5211 6.5398 6.5398 10.0907 10.0907 10.1218 10.1218 10.9449 10.9449 k = 0.2447 0.4339-0.0000 ( 5106 PWs) bands (ev): -10.7310 -10.7310 -10.7308 -10.7308 -10.4199 -10.4199 -10.4197 -10.4197 -0.9918 -0.9918 -0.9593 -0.9593 -0.7285 -0.7285 -0.6720 -0.6720 -0.1270 -0.1270 -0.0990 -0.0990 0.6555 0.6555 0.6557 0.6557 1.2873 1.2873 1.2979 1.2979 1.8582 1.8582 1.8870 1.8870 3.6289 3.6289 3.6937 3.6937 3.9135 3.9135 3.9726 3.9726 4.6563 4.6563 4.7492 4.7492 5.1633 5.1633 5.1717 5.1717 6.5062 6.5062 6.5242 6.5242 10.1465 10.1465 10.1787 10.1787 10.9767 10.9767 k = 0.2340 0.4339-0.0000 ( 5102 PWs) bands (ev): -10.7573 -10.7573 -10.7571 -10.7571 -10.4160 -10.4160 -10.4158 -10.4158 -1.0150 -1.0150 -0.9753 -0.9753 -0.7668 -0.7668 -0.7027 -0.7027 -0.0422 -0.0422 -0.0124 -0.0124 0.6714 0.6714 0.6731 0.6731 1.2487 1.2487 1.2627 1.2627 1.8999 1.8999 1.9249 1.9249 3.6140 3.6140 3.6782 3.6782 3.9078 3.9078 3.9635 3.9635 4.6650 4.6650 4.7534 4.7534 5.1638 5.1638 5.1720 5.1720 6.4964 6.4964 6.5134 6.5134 10.2010 10.2010 10.2339 10.2339 10.9979 10.9980 k = 0.2234 0.4339-0.0000 ( 5094 PWs) bands (ev): -10.7832 -10.7832 -10.7830 -10.7830 -10.4121 -10.4121 -10.4119 -10.4119 -1.0384 -1.0384 -0.9923 -0.9923 -0.8067 -0.8067 -0.7368 -0.7368 0.0517 0.0517 0.0825 0.0825 0.6873 0.6873 0.6908 0.6908 1.2107 1.2107 1.2273 1.2273 1.9381 1.9381 1.9597 1.9597 3.5978 3.5978 3.6608 3.6608 3.8971 3.8971 3.9489 3.9489 4.6759 4.6759 4.7592 4.7592 5.1653 5.1653 5.1737 5.1737 6.4917 6.4917 6.5076 6.5076 10.2537 10.2537 10.2867 10.2867 11.0084 11.0087 k = 0.2128 0.4339-0.0000 ( 5102 PWs) bands (ev): -10.8086 -10.8086 -10.8085 -10.8085 -10.4082 -10.4082 -10.4080 -10.4080 -1.0626 -1.0626 -1.0112 -1.0112 -0.8446 -0.8446 -0.7705 -0.7705 0.1509 0.1509 0.1827 0.1827 0.7030 0.7030 0.7087 0.7087 1.1738 1.1738 1.1925 1.1925 1.9724 1.9724 1.9909 1.9909 3.5804 3.5804 3.6417 3.6417 3.8817 3.8817 3.9294 3.9294 4.6884 4.6884 4.7662 4.7662 5.1679 5.1679 5.1768 5.1768 6.4922 6.4922 6.5069 6.5069 10.3036 10.3036 10.3366 10.3366 11.0034 11.0034 k = 0.2021 0.4339-0.0000 ( 5098 PWs) bands (ev): -10.8334 -10.8334 -10.8333 -10.8333 -10.4044 -10.4044 -10.4042 -10.4042 -1.0880 -1.0880 -1.0335 -1.0335 -0.8777 -0.8777 -0.8016 -0.8016 0.2534 0.2534 0.2866 0.2866 0.7185 0.7185 0.7268 0.7268 1.1385 1.1385 1.1587 1.1587 2.0026 2.0026 2.0181 2.0181 3.5620 3.5620 3.6209 3.6209 3.8617 3.8617 3.9054 3.9054 4.7020 4.7020 4.7743 4.7743 5.1716 5.1716 5.1813 5.1813 6.4979 6.4979 6.5113 6.5113 10.3501 10.3501 10.3828 10.3828 10.9898 10.9899 k = 0.1915 0.4339-0.0000 ( 5098 PWs) bands (ev): -10.8575 -10.8575 -10.8574 -10.8574 -10.4007 -10.4007 -10.4005 -10.4005 -1.1149 -1.1149 -1.0604 -1.0604 -0.9039 -0.9039 -0.8291 -0.8291 0.3574 0.3574 0.3929 0.3929 0.7338 0.7338 0.7451 0.7451 1.1052 1.1052 1.1264 1.1264 2.0285 2.0285 2.0413 2.0413 3.5425 3.5425 3.5985 3.5985 3.8375 3.8375 3.8775 3.8775 4.7161 4.7161 4.7830 4.7830 5.1767 5.1767 5.1871 5.1871 6.5086 6.5086 6.5207 6.5207 10.3922 10.3922 10.4242 10.4242 10.9698 10.9698 k = 0.1809 0.4339-0.0000 ( 5090 PWs) bands (ev): -10.8808 -10.8808 -10.8807 -10.8807 -10.3971 -10.3971 -10.3970 -10.3970 -1.1434 -1.1434 -1.0919 -1.0919 -0.9228 -0.9228 -0.8521 -0.8521 0.4611 0.4611 0.5000 0.5000 0.7490 0.7490 0.7640 0.7640 1.0749 1.0749 1.0962 1.0962 2.0502 2.0502 2.0604 2.0604 3.5219 3.5219 3.5744 3.5744 3.8096 3.8096 3.8465 3.8465 4.7303 4.7303 4.7920 4.7920 5.1829 5.1829 5.1942 5.1942 6.5241 6.5241 6.5348 6.5348 10.4287 10.4287 10.4599 10.4599 10.9455 10.9455 k = 0.1702 0.4339-0.0000 ( 5084 PWs) bands (ev): -10.9033 -10.9033 -10.9031 -10.9031 -10.3936 -10.3936 -10.3935 -10.3935 -1.1732 -1.1732 -1.1266 -1.1266 -0.9355 -0.9355 -0.8707 -0.8707 0.5619 0.5619 0.6056 0.6056 0.7653 0.7653 0.7838 0.7838 1.0493 1.0493 1.0688 1.0688 2.0679 2.0679 2.0756 2.0756 3.5000 3.5000 3.5483 3.5483 3.7785 3.7785 3.8130 3.8130 4.7442 4.7442 4.8011 4.8011 5.1904 5.1904 5.2026 5.2026 6.5442 6.5442 6.5535 6.5535 10.4581 10.4581 10.4882 10.4882 10.9195 10.9195 k = 0.1596 0.4339-0.0000 ( 5076 PWs) bands (ev): -10.9247 -10.9247 -10.9246 -10.9246 -10.3903 -10.3903 -10.3901 -10.3901 -1.2038 -1.2038 -1.1628 -1.1628 -0.9434 -0.9434 -0.8853 -0.8853 0.6545 0.6545 0.7009 0.7009 0.7893 0.7893 0.8054 0.8054 1.0321 1.0321 1.0460 1.0460 2.0819 2.0819 2.0872 2.0872 3.4763 3.4763 3.5199 3.5199 3.7450 3.7450 3.7779 3.7779 4.7575 4.7575 4.8098 4.8098 5.1992 5.1992 5.2120 5.2120 6.5683 6.5683 6.5763 6.5763 10.4786 10.4786 10.5074 10.5074 10.8946 10.8946 k = 0.1489 0.4339-0.0000 ( 5068 PWs) bands (ev): -10.9451 -10.9451 -10.9450 -10.9450 -10.3871 -10.3871 -10.3870 -10.3870 -1.2346 -1.2346 -1.1991 -1.1991 -0.9478 -0.9478 -0.8962 -0.8962 0.7291 0.7291 0.7548 0.7548 0.8286 0.8286 0.8464 0.8464 1.0330 1.0330 1.0330 1.0330 2.0924 2.0924 2.0955 2.0955 3.4502 3.4502 3.4886 3.4886 3.7100 3.7100 3.7422 3.7422 4.7700 4.7700 4.8180 4.8180 5.2090 5.2090 5.2222 5.2222 6.5960 6.5960 6.6028 6.6028 10.4883 10.4883 10.5155 10.5155 10.8740 10.8740 k = 0.1383 0.4339-0.0000 ( 5066 PWs) bands (ev): -10.9644 -10.9644 -10.9643 -10.9643 -10.3841 -10.3841 -10.3839 -10.3839 -1.2651 -1.2651 -1.2345 -1.2345 -0.9497 -0.9497 -0.9040 -0.9040 0.7722 0.7722 0.7775 0.7775 0.8455 0.8455 0.9117 0.9117 1.0493 1.0493 1.0676 1.0676 2.0998 2.0998 2.1008 2.1008 3.4209 3.4209 3.4536 3.4536 3.6748 3.6748 3.7069 3.7069 4.7815 4.7815 4.8255 4.8255 5.2197 5.2197 5.2332 5.2332 6.6269 6.6269 6.6324 6.6324 10.4861 10.4861 10.5114 10.5114 10.8599 10.8599 k = 0.1277 0.4339-0.0000 ( 5066 PWs) bands (ev): -10.9826 -10.9826 -10.9825 -10.9825 -10.3812 -10.3812 -10.3811 -10.3811 -1.2947 -1.2947 -1.2685 -1.2685 -0.9497 -0.9497 -0.9094 -0.9094 0.7794 0.7794 0.8065 0.8065 0.8464 0.8464 0.9331 0.9331 1.1204 1.1204 1.1386 1.1386 2.1038 2.1038 2.1047 2.1047 3.3873 3.3873 3.4143 3.4143 3.6407 3.6407 3.6731 3.6731 4.7920 4.7920 4.8322 4.8322 5.2312 5.2312 5.2445 5.2445 6.6601 6.6601 6.6647 6.6647 10.4722 10.4722 10.4953 10.4953 10.8531 10.8531 k = 0.1170 0.4339-0.0000 ( 5068 PWs) bands (ev): -10.9995 -10.9995 -10.9994 -10.9994 -10.3785 -10.3785 -10.3784 -10.3784 -1.3230 -1.3230 -1.3006 -1.3006 -0.9482 -0.9482 -0.9127 -0.9127 0.7812 0.7812 0.8237 0.8237 0.8386 0.8386 0.9318 0.9318 1.2197 1.2197 1.2304 1.2304 2.1048 2.1048 2.1075 2.1075 3.3485 3.3485 3.3700 3.3700 3.6090 3.6090 3.6417 3.6417 4.8015 4.8015 4.8379 4.8379 5.2431 5.2431 5.2561 5.2561 6.6951 6.6951 6.6988 6.6988 10.4488 10.4488 10.4694 10.4694 10.8525 10.8525 k = 0.1064 0.4339-0.0000 ( 5078 PWs) bands (ev): -11.0151 -11.0151 -11.0150 -11.0150 -10.3760 -10.3760 -10.3760 -10.3760 -1.3496 -1.3496 -1.3306 -1.3306 -0.9457 -0.9457 -0.9145 -0.9145 0.7786 0.7786 0.8162 0.8162 0.8467 0.8467 0.9276 0.9276 1.3261 1.3261 1.3307 1.3307 2.1044 2.1044 2.1087 2.1087 3.3038 3.3038 3.3204 3.3204 3.5808 3.5808 3.6132 3.6132 4.8099 4.8099 4.8428 4.8428 5.2551 5.2551 5.2675 5.2675 6.7311 6.7311 6.7340 6.7340 10.4189 10.4189 10.4371 10.4371 10.8561 10.8561 k = 0.0957 0.4339-0.0000 ( 5066 PWs) bands (ev): -11.0294 -11.0294 -11.0293 -11.0293 -10.3738 -10.3738 -10.3737 -10.3737 -1.3743 -1.3743 -1.3581 -1.3581 -0.9424 -0.9424 -0.9151 -0.9151 0.7725 0.7725 0.7999 0.7999 0.8602 0.8602 0.9250 0.9250 1.4336 1.4336 1.4339 1.4339 2.1032 2.1032 2.1091 2.1091 3.2530 3.2530 3.2656 3.2656 3.5565 3.5565 3.5880 3.5880 4.8174 4.8174 4.8468 4.8468 5.2670 5.2670 5.2786 5.2786 6.7673 6.7673 6.7696 6.7696 10.3855 10.3855 10.4013 10.4013 10.8619 10.8619 k = 0.0851 0.4339-0.0000 ( 5074 PWs) bands (ev): -11.0423 -11.0423 -11.0422 -11.0422 -10.3717 -10.3717 -10.3717 -10.3717 -1.3967 -1.3967 -1.3831 -1.3831 -0.9386 -0.9386 -0.9149 -0.9149 0.7639 0.7639 0.7833 0.7833 0.8726 0.8726 0.9243 0.9243 1.5369 1.5369 1.5399 1.5399 2.1020 2.1020 2.1093 2.1093 3.1966 3.1966 3.2062 3.2062 3.5362 3.5362 3.5659 3.5659 4.8240 4.8240 4.8500 4.8500 5.2785 5.2785 5.2891 5.2891 6.8029 6.8029 6.8046 6.8046 10.3510 10.3510 10.3645 10.3645 10.8684 10.8684 k = 0.0745 0.4339-0.0000 ( 5076 PWs) bands (ev): -11.0538 -11.0538 -11.0537 -11.0537 -10.3699 -10.3699 -10.3698 -10.3698 -1.4168 -1.4168 -1.4054 -1.4054 -0.9345 -0.9345 -0.9142 -0.9142 0.7542 0.7542 0.7676 0.7676 0.8838 0.8838 0.9252 0.9252 1.6374 1.6374 1.6430 1.6430 2.1016 2.1016 2.1104 2.1104 3.1354 3.1354 3.1427 3.1427 3.5195 3.5195 3.5467 3.5467 4.8298 4.8298 4.8524 4.8524 5.2894 5.2894 5.2988 5.2988 6.8370 6.8370 6.8382 6.8382 10.3173 10.3173 10.3286 10.3286 10.8746 10.8746 k = 0.0638 0.4339-0.0000 ( 5068 PWs) bands (ev): -11.0638 -11.0638 -11.0637 -11.0637 -10.3683 -10.3683 -10.3682 -10.3682 -1.4344 -1.4344 -1.4249 -1.4249 -0.9303 -0.9303 -0.9131 -0.9131 0.7443 0.7443 0.7535 0.7535 0.8937 0.8937 0.9267 0.9267 1.7329 1.7329 1.7410 1.7410 2.1035 2.1035 2.1138 2.1138 3.0706 3.0706 3.0762 3.0762 3.5062 3.5062 3.5303 3.5303 4.8349 4.8349 4.8541 4.8541 5.2993 5.2993 5.3076 5.3076 6.8687 6.8687 6.8696 6.8696 10.2859 10.2859 10.2951 10.2951 10.8801 10.8801 k = 0.0532 0.4339-0.0000 ( 5080 PWs) bands (ev): -11.0723 -11.0723 -11.0723 -11.0723 -10.3669 -10.3669 -10.3669 -10.3669 -1.4493 -1.4493 -1.4417 -1.4417 -0.9262 -0.9262 -0.9121 -0.9121 0.7349 0.7349 0.7412 0.7412 0.9024 0.9024 0.9284 0.9284 1.8200 1.8200 1.8301 1.8301 2.1102 2.1102 2.1221 2.1221 3.0035 3.0035 3.0079 3.0079 3.4957 3.4957 3.5163 3.5163 4.8392 4.8392 4.8552 4.8552 5.3082 5.3082 5.3151 5.3151 6.8972 6.8972 6.8978 6.8978 10.2577 10.2577 10.2651 10.2651 10.8847 10.8847 k = 0.0426 0.4339-0.0000 ( 5076 PWs) bands (ev): -11.0793 -11.0793 -11.0793 -11.0793 -10.3658 -10.3658 -10.3658 -10.3658 -1.4615 -1.4615 -1.4556 -1.4556 -0.9223 -0.9223 -0.9112 -0.9112 0.7267 0.7267 0.7308 0.7308 0.9099 0.9099 0.9299 0.9299 1.8931 1.8931 1.9045 1.9045 2.1264 2.1264 2.1389 2.1389 2.9363 2.9363 2.9396 2.9396 3.4879 3.4879 3.5047 3.5047 4.8430 4.8430 4.8557 4.8557 5.3157 5.3157 5.3213 5.3213 6.9218 6.9218 6.9222 6.9222 10.2338 10.2338 10.2395 10.2395 10.8883 10.8883 k = 0.0319 0.4339-0.0000 ( 5072 PWs) bands (ev): -11.0848 -11.0848 -11.0848 -11.0848 -10.3649 -10.3649 -10.3649 -10.3649 -1.4709 -1.4709 -1.4666 -1.4666 -0.9189 -0.9189 -0.9106 -0.9106 0.7200 0.7200 0.7226 0.7226 0.9162 0.9162 0.9308 0.9308 1.9460 1.9460 1.9562 1.9562 2.1569 2.1569 2.1679 2.1679 2.8719 2.8719 2.8742 2.8742 3.4825 3.4825 3.4953 3.4953 4.8462 4.8462 4.8557 4.8557 5.3219 5.3219 5.3261 5.3261 6.9416 6.9416 6.9419 6.9419 10.2146 10.2146 10.2187 10.2187 10.8909 10.8909 k = 0.0213 0.4339-0.0000 ( 5072 PWs) bands (ev): -11.0887 -11.0887 -11.0887 -11.0887 -10.3643 -10.3643 -10.3643 -10.3643 -1.4775 -1.4775 -1.4746 -1.4746 -0.9160 -0.9160 -0.9105 -0.9105 0.7151 0.7151 0.7167 0.7167 0.9214 0.9214 0.9309 0.9309 1.9773 1.9773 1.9843 1.9843 2.1982 2.1982 2.2057 2.2057 2.8151 2.8151 2.8167 2.8167 3.4794 3.4794 3.4880 3.4880 4.8489 4.8489 4.8552 4.8552 5.3266 5.3266 5.3294 5.3294 6.9563 6.9563 6.9565 6.9565 10.2007 10.2007 10.2034 10.2034 10.8928 10.8928 k = 0.0106 0.4339-0.0000 ( 5064 PWs) bands (ev): -11.0911 -11.0911 -11.0910 -11.0910 -10.3639 -10.3639 -10.3639 -10.3639 -1.4812 -1.4812 -1.4797 -1.4797 -0.9137 -0.9137 -0.9109 -0.9109 0.7122 0.7122 0.7129 0.7129 0.9254 0.9254 0.9301 0.9301 1.9928 1.9928 1.9962 1.9962 2.2351 2.2351 2.2387 2.2387 2.7742 2.7742 2.7750 2.7750 3.4784 3.4784 3.4828 3.4828 4.8512 4.8512 4.8543 4.8543 5.3297 5.3297 5.3311 5.3311 6.9652 6.9652 6.9655 6.9655 10.1926 10.1926 10.1939 10.1939 10.8941 10.8941 k = 0.0000 0.4339-0.0000 ( 5060 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4820 -1.4820 -1.4818 -1.4818 -0.9121 -0.9121 -0.9119 -0.9119 0.7114 0.7114 0.7115 0.7115 0.9283 0.9283 0.9283 0.9283 1.9983 1.9983 1.9983 1.9983 2.2509 2.2509 2.2510 2.2510 2.7589 2.7589 2.7592 2.7592 3.4794 3.4794 3.4797 3.4797 4.8528 4.8528 4.8531 4.8531 5.3311 5.3311 5.3314 5.3314 6.9683 6.9683 6.9685 6.9685 10.1902 10.1902 10.1902 10.1902 10.8948 10.8949 k = 0.0000 0.4339-0.0000 ( 5060 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4820 -1.4820 -1.4818 -1.4818 -0.9121 -0.9121 -0.9119 -0.9119 0.7114 0.7114 0.7115 0.7115 0.9283 0.9283 0.9283 0.9283 1.9983 1.9983 1.9983 1.9983 2.2509 2.2509 2.2510 2.2510 2.7589 2.7589 2.7592 2.7592 3.4794 3.4794 3.4797 3.4797 4.8528 4.8528 4.8531 4.8531 5.3311 5.3311 5.3314 5.3314 6.9683 6.9683 6.9685 6.9685 10.1902 10.1902 10.1902 10.1902 10.8948 10.8949 k = 0.0000 0.4234-0.0000 ( 5068 PWs) bands (ev): -11.0963 -11.0963 -11.0879 -11.0879 -10.3691 -10.3691 -10.3585 -10.3585 -1.4895 -1.4895 -1.4740 -1.4740 -0.9134 -0.9134 -0.9105 -0.9105 0.7095 0.7095 0.7122 0.7122 0.9255 0.9255 0.9360 0.9360 1.9909 1.9909 2.0058 2.0058 2.2462 2.2462 2.2556 2.2556 2.7572 2.7572 2.7610 2.7610 3.4782 3.4782 3.4811 3.4811 4.8486 4.8486 4.8557 4.8557 5.3279 5.3279 5.3333 5.3333 6.9621 6.9621 6.9745 6.9745 10.1536 10.1536 10.2304 10.2304 10.8328 10.8328 k = 0.0000 0.4128-0.0000 ( 5070 PWs) bands (ev): -11.1013 -11.1013 -11.0844 -11.0844 -10.3745 -10.3745 -10.3534 -10.3534 -1.4967 -1.4967 -1.4656 -1.4656 -0.9148 -0.9148 -0.9089 -0.9089 0.7063 0.7063 0.7117 0.7117 0.9278 0.9278 0.9478 0.9478 1.9833 1.9833 2.0131 2.0131 2.2412 2.2412 2.2600 2.2600 2.7554 2.7554 2.7631 2.7631 3.4771 3.4771 3.4827 3.4827 4.8426 4.8426 4.8566 4.8566 5.3233 5.3233 5.3339 5.3339 6.9558 6.9558 6.9806 6.9806 10.1213 10.1213 10.2729 10.2729 10.7731 10.7731 k = 0.0000 0.4022-0.0000 ( 5068 PWs) bands (ev): -11.1067 -11.1067 -11.0814 -11.0814 -10.3801 -10.3801 -10.3485 -10.3485 -1.5035 -1.5035 -1.4568 -1.4568 -0.9162 -0.9162 -0.9073 -0.9073 0.7022 0.7022 0.7103 0.7103 0.9353 0.9353 0.9633 0.9633 1.9756 1.9756 2.0204 2.0204 2.2359 2.2359 2.2642 2.2642 2.7538 2.7538 2.7652 2.7652 3.4760 3.4760 3.4845 3.4845 4.8350 4.8350 4.8558 4.8558 5.3175 5.3175 5.3333 5.3333 6.9494 6.9494 6.9865 6.9865 10.0935 10.0935 10.3148 10.3148 10.7187 10.7187 k = 0.0000 0.3916-0.0000 ( 5070 PWs) bands (ev): -11.1126 -11.1126 -11.0789 -11.0789 -10.3857 -10.3857 -10.3436 -10.3436 -1.5100 -1.5100 -1.4477 -1.4477 -0.9175 -0.9175 -0.9057 -0.9057 0.6973 0.6973 0.7088 0.7088 0.9477 0.9477 0.9818 0.9818 1.9678 1.9678 2.0276 2.0276 2.2305 2.2305 2.2683 2.2683 2.7523 2.7523 2.7675 2.7675 3.4752 3.4752 3.4864 3.4864 4.8258 4.8258 4.8532 4.8532 5.3106 5.3106 5.3313 5.3313 6.9430 6.9430 6.9924 6.9924 10.0705 10.0705 10.3502 10.3502 10.6755 10.6755 k = 0.0000 0.3810-0.0000 ( 5070 PWs) bands (ev): -11.1189 -11.1189 -11.0769 -11.0769 -10.3914 -10.3914 -10.3389 -10.3389 -1.5163 -1.5163 -1.4381 -1.4381 -0.9188 -0.9188 -0.9040 -0.9040 0.6918 0.6918 0.7077 0.7077 0.9646 0.9646 1.0029 1.0029 1.9599 1.9599 2.0348 2.0348 2.2249 2.2249 2.2723 2.2723 2.7509 2.7509 2.7698 2.7698 3.4745 3.4745 3.4885 3.4885 4.8152 4.8152 4.8488 4.8488 5.3029 5.3029 5.3282 5.3282 6.9365 6.9365 6.9981 6.9981 10.0522 10.0522 10.3678 10.3678 10.6548 10.6548 k = 0.0000 0.3704-0.0000 ( 5068 PWs) bands (ev): -11.1256 -11.1256 -11.0754 -11.0754 -10.3972 -10.3972 -10.3344 -10.3344 -1.5222 -1.5222 -1.4282 -1.4282 -0.9201 -0.9201 -0.9022 -0.9022 0.6859 0.6859 0.7075 0.7075 0.9856 0.9856 1.0262 1.0262 1.9517 1.9517 2.0419 2.0419 2.2191 2.2191 2.2762 2.2762 2.7496 2.7496 2.7722 2.7722 3.4739 3.4739 3.4906 3.4906 4.8031 4.8031 4.8424 4.8424 5.2943 5.2943 5.3240 5.3240 6.9300 6.9300 7.0037 7.0037 10.0385 10.0385 10.3568 10.3568 10.6674 10.6674 k = 0.0000 0.3599-0.0000 ( 5072 PWs) bands (ev): -11.1326 -11.1326 -11.0743 -11.0743 -10.4030 -10.4030 -10.3300 -10.3300 -1.5279 -1.5279 -1.4180 -1.4180 -0.9213 -0.9213 -0.9004 -0.9004 0.6801 0.6801 0.7084 0.7084 1.0100 1.0100 1.0516 1.0516 1.9433 1.9433 2.0488 2.0488 2.2132 2.2132 2.2801 2.2801 2.7483 2.7483 2.7747 2.7747 3.4734 3.4734 3.4927 3.4927 4.7897 4.7897 4.8342 4.8342 5.2851 5.2851 5.3190 5.3190 6.9236 6.9236 7.0091 7.0091 10.0292 10.0292 10.3203 10.3203 10.7097 10.7097 k = 0.0000 0.3493-0.0000 ( 5070 PWs) bands (ev): -11.1400 -11.1400 -11.0738 -11.0738 -10.4089 -10.4089 -10.3257 -10.3257 -1.5334 -1.5334 -1.4074 -1.4074 -0.9225 -0.9225 -0.8986 -0.8986 0.6749 0.6749 0.7106 0.7106 1.0376 1.0376 1.0787 1.0787 1.9347 1.9347 2.0555 2.0555 2.2072 2.2072 2.2840 2.2840 2.7472 2.7472 2.7772 2.7772 3.4731 3.4731 3.4949 3.4949 4.7751 4.7751 4.8240 4.8240 5.2754 5.2754 5.3132 5.3132 6.9171 6.9171 7.0144 7.0144 10.0240 10.0240 10.2697 10.2697 10.7703 10.7703 k = 0.0000 0.3387-0.0000 ( 5078 PWs) bands (ev): -11.1478 -11.1478 -11.0737 -11.0737 -10.4148 -10.4148 -10.3216 -10.3216 -1.5387 -1.5387 -1.3966 -1.3966 -0.9237 -0.9237 -0.8966 -0.8966 0.6703 0.6703 0.7140 0.7140 1.0679 1.0679 1.1076 1.1076 1.9257 1.9257 2.0619 2.0619 2.2012 2.2012 2.2880 2.2880 2.7462 2.7462 2.7798 2.7798 3.4727 3.4727 3.4971 3.4971 4.7594 4.7594 4.8118 4.8118 5.2653 5.2653 5.3070 5.3070 6.9106 6.9106 7.0196 7.0196 10.0227 10.0227 10.2123 10.2123 10.8415 10.8415 k = 0.0000 0.3281-0.0000 ( 5072 PWs) bands (ev): -11.1558 -11.1558 -11.0740 -11.0740 -10.4207 -10.4207 -10.3177 -10.3177 -1.5439 -1.5439 -1.3855 -1.3855 -0.9249 -0.9249 -0.8947 -0.8947 0.6669 0.6669 0.7187 0.7187 1.1005 1.1005 1.1383 1.1383 1.9164 1.9164 2.0679 2.0679 2.1952 2.1952 2.2923 2.2923 2.7452 2.7452 2.7825 2.7825 3.4725 3.4725 3.4992 3.4992 4.7426 4.7426 4.7978 4.7978 5.2549 5.2549 5.3006 5.3006 6.9043 6.9043 7.0247 7.0247 10.0250 10.0250 10.1517 10.1517 10.9190 10.9190 k = 0.0000 0.3175-0.0000 ( 5072 PWs) bands (ev): -11.1641 -11.1641 -11.0747 -11.0747 -10.4267 -10.4267 -10.3140 -10.3140 -1.5490 -1.5490 -1.3743 -1.3743 -0.9260 -0.9260 -0.8926 -0.8926 0.6645 0.6645 0.7246 0.7246 1.1350 1.1350 1.1708 1.1708 1.9068 1.9068 2.0735 2.0735 2.1893 2.1893 2.2967 2.2967 2.7444 2.7444 2.7852 2.7852 3.4723 3.4723 3.5012 3.5012 4.7250 4.7250 4.7819 4.7819 5.2444 5.2444 5.2940 5.2940 6.8979 6.8979 7.0296 7.0296 10.0305 10.0305 10.0898 10.0898 11.0005 11.0005 k = 0.0000 0.3069-0.0000 ( 5074 PWs) bands (ev): -11.1726 -11.1726 -11.0758 -11.0758 -10.4326 -10.4326 -10.3104 -10.3104 -1.5540 -1.5540 -1.3629 -1.3629 -0.9271 -0.9271 -0.8905 -0.8905 0.6636 0.6636 0.7317 0.7317 1.1710 1.1710 1.2054 1.2054 1.8967 1.8967 2.0784 2.0784 2.1836 2.1836 2.3015 2.3015 2.7436 2.7436 2.7878 2.7878 3.4720 3.4720 3.5031 3.5031 4.7066 4.7066 4.7642 4.7642 5.2338 5.2338 5.2875 5.2875 6.8917 6.8917 7.0344 7.0344 10.0267 10.0267 10.0394 10.0394 11.0841 11.0841 k = 0.0000 0.2963-0.0000 ( 5090 PWs) bands (ev): -11.1812 -11.1812 -11.0773 -11.0773 -10.4386 -10.4386 -10.3070 -10.3070 -1.5590 -1.5590 -1.3514 -1.3514 -0.9283 -0.9283 -0.8883 -0.8883 0.6640 0.6640 0.7399 0.7399 1.2079 1.2079 1.2424 1.2424 1.8861 1.8861 2.0824 2.0824 2.1784 2.1784 2.3068 2.3068 2.7428 2.7428 2.7905 2.7905 3.4718 3.4718 3.5048 3.5048 4.6876 4.6876 4.7449 4.7449 5.2232 5.2232 5.2813 5.2813 6.8855 6.8855 7.0390 7.0390 9.9646 9.9646 10.0498 10.0498 11.1675 11.1675 k = 0.0000 0.2858-0.0000 ( 5092 PWs) bands (ev): -11.1901 -11.1901 -11.0791 -11.0791 -10.4445 -10.4445 -10.3038 -10.3038 -1.5640 -1.5640 -1.3399 -1.3399 -0.9294 -0.9294 -0.8861 -0.8861 0.6659 0.6659 0.7490 0.7490 1.2452 1.2452 1.2819 1.2819 1.8752 1.8752 2.0854 2.0854 2.1737 2.1737 2.3125 2.3125 2.7421 2.7421 2.7932 2.7932 3.4715 3.4715 3.5061 3.5061 4.6682 4.6682 4.7240 4.7240 5.2127 5.2127 5.2753 5.2753 6.8795 6.8795 7.0435 7.0435 9.9025 9.9025 10.0626 10.0626 11.2472 11.2472 k = 0.0000 0.2752-0.0000 ( 5102 PWs) bands (ev): -11.1990 -11.1990 -11.0812 -11.0812 -10.4504 -10.4504 -10.3007 -10.3007 -1.5690 -1.5690 -1.3283 -1.3283 -0.9305 -0.9305 -0.8838 -0.8838 0.6694 0.6694 0.7591 0.7591 1.2829 1.2829 1.3239 1.3239 1.8637 1.8637 2.0871 2.0871 2.1698 2.1698 2.3187 2.3187 2.7415 2.7415 2.7958 2.7958 3.4711 3.4711 3.5072 3.5072 4.6485 4.6485 4.7017 4.7017 5.2024 5.2024 5.2698 5.2698 6.8736 6.8736 7.0478 7.0478 9.8410 9.8410 10.0771 10.0771 11.3156 11.3156 k = 0.0000 0.2646-0.0000 ( 5098 PWs) bands (ev): -11.2079 -11.2079 -11.0836 -11.0836 -10.4562 -10.4562 -10.2978 -10.2978 -1.5740 -1.5740 -1.3169 -1.3169 -0.9316 -0.9316 -0.8814 -0.8814 0.6744 0.6744 0.7698 0.7698 1.3209 1.3209 1.3681 1.3681 1.8519 1.8519 2.0875 2.0875 2.1667 2.1667 2.3256 2.3256 2.7409 2.7409 2.7984 2.7984 3.4706 3.4706 3.5079 3.5079 4.6286 4.6286 4.6782 4.6782 5.1923 5.1923 5.2647 5.2647 6.8678 6.8678 7.0521 7.0521 9.7802 9.7802 10.0930 10.0930 11.3592 11.3592 k = 0.0000 0.2540-0.0000 ( 5094 PWs) bands (ev): -11.2169 -11.2169 -11.0862 -11.0862 -10.4620 -10.4620 -10.2951 -10.2951 -1.5791 -1.5791 -1.3056 -1.3056 -0.9326 -0.9326 -0.8790 -0.8790 0.6810 0.6810 0.7812 0.7812 1.3593 1.3593 1.4141 1.4141 1.8397 1.8397 2.0865 2.0865 2.1646 2.1646 2.3332 2.3332 2.7403 2.7403 2.8009 2.8009 3.4700 3.4700 3.5081 3.5081 4.6086 4.6086 4.6537 4.6537 5.1825 5.1825 5.2602 5.2602 6.8622 6.8622 7.0561 7.0561 9.7205 9.7205 10.1098 10.1098 11.3693 11.3693 k = 0.0000 0.2434-0.0000 ( 5088 PWs) bands (ev): -11.2259 -11.2259 -11.0891 -11.0891 -10.4677 -10.4677 -10.2926 -10.2926 -1.5841 -1.5841 -1.2945 -1.2945 -0.9337 -0.9337 -0.8765 -0.8765 0.6892 0.6892 0.7932 0.7932 1.3982 1.3982 1.4615 1.4615 1.8273 1.8273 2.0841 2.0841 2.1633 2.1633 2.3415 2.3415 2.7397 2.7397 2.8034 2.8034 3.4692 3.4692 3.5078 3.5078 4.5887 4.5887 4.6284 4.6284 5.1731 5.1731 5.2561 5.2561 6.8568 6.8568 7.0600 7.0600 9.6619 9.6619 10.1273 10.1273 11.3537 11.3537 k = 0.0000 0.2328-0.0000 ( 5092 PWs) bands (ev): -11.2348 -11.2348 -11.0921 -11.0921 -10.4733 -10.4733 -10.2903 -10.2903 -1.5893 -1.5893 -1.2836 -1.2836 -0.9347 -0.9347 -0.8740 -0.8740 0.6988 0.6988 0.8055 0.8055 1.4377 1.4377 1.5095 1.5095 1.8150 1.8150 2.0807 2.0807 2.1628 2.1628 2.3504 2.3504 2.7391 2.7391 2.8057 2.8057 3.4682 3.4682 3.5069 3.5069 4.5690 4.5690 4.6025 4.6025 5.1641 5.1641 5.2526 5.2526 6.8515 6.8515 7.0638 7.0638 9.6046 9.6046 10.1451 10.1451 11.3226 11.3226 k = 0.0000 0.2223-0.0000 ( 5090 PWs) bands (ev): -11.2436 -11.2436 -11.0952 -11.0952 -10.4788 -10.4788 -10.2881 -10.2881 -1.5945 -1.5945 -1.2730 -1.2730 -0.9357 -0.9357 -0.8715 -0.8715 0.7100 0.7100 0.8180 0.8180 1.4777 1.4777 1.5571 1.5571 1.8036 1.8036 2.0764 2.0764 2.1627 2.1627 2.3601 2.3601 2.7386 2.7386 2.8078 2.8078 3.4670 3.4670 3.5053 3.5053 4.5494 4.5494 4.5762 4.5762 5.1556 5.1556 5.2496 5.2496 6.8464 6.8464 7.0674 7.0674 9.5487 9.5487 10.1629 10.1629 11.2813 11.2813 k = 0.0000 0.2117-0.0000 ( 5080 PWs) bands (ev): -11.2523 -11.2523 -11.0985 -11.0985 -10.4842 -10.4842 -10.2860 -10.2860 -1.5996 -1.5996 -1.2627 -1.2627 -0.9367 -0.9367 -0.8689 -0.8689 0.7226 0.7226 0.8307 0.8307 1.5182 1.5182 1.6025 1.6025 1.7946 1.7946 2.0716 2.0716 2.1630 2.1630 2.3704 2.3704 2.7380 2.7380 2.8098 2.8098 3.4655 3.4655 3.5031 3.5031 4.5301 4.5301 4.5498 4.5498 5.1475 5.1475 5.2472 5.2472 6.8416 6.8416 7.0709 7.0709 9.4943 9.4943 10.1805 10.1805 11.2330 11.2330 k = 0.0000 0.2011-0.0000 ( 5074 PWs) bands (ev): -11.2609 -11.2609 -11.1019 -11.1019 -10.4894 -10.4894 -10.2842 -10.2842 -1.6049 -1.6049 -1.2528 -1.2528 -0.9377 -0.9377 -0.8663 -0.8663 0.7366 0.7366 0.8434 0.8434 1.5592 1.5592 1.6414 1.6414 1.7921 1.7921 2.0666 2.0666 2.1635 2.1635 2.3813 2.3813 2.7374 2.7374 2.8115 2.8115 3.4637 3.4637 3.5000 3.5000 4.5111 4.5111 4.5234 4.5234 5.1400 5.1400 5.2452 5.2452 6.8369 6.8369 7.0743 7.0743 9.4416 9.4416 10.1977 10.1977 11.1795 11.1795 k = 0.0000 0.1905-0.0000 ( 5072 PWs) bands (ev): -11.2692 -11.2692 -11.1053 -11.1053 -10.4945 -10.4945 -10.2824 -10.2824 -1.6100 -1.6100 -1.2434 -1.2434 -0.9387 -0.9387 -0.8637 -0.8637 0.7519 0.7519 0.8560 0.8560 1.6004 1.6004 1.6664 1.6664 1.8031 1.8031 2.0617 2.0617 2.1641 2.1641 2.3927 2.3927 2.7367 2.7367 2.8130 2.8130 3.4614 3.4614 3.4960 3.4960 4.4924 4.4924 4.4974 4.4974 5.1330 5.1330 5.2438 5.2438 6.8324 6.8324 7.0775 7.0775 9.3907 9.3907 10.2143 10.2143 11.1222 11.1222 k = 0.0000 0.1799-0.0000 ( 5072 PWs) bands (ev): -11.2773 -11.2773 -11.1087 -11.1087 -10.4994 -10.4994 -10.2809 -10.2809 -1.6152 -1.6152 -1.2343 -1.2343 -0.9396 -0.9396 -0.8611 -0.8611 0.7684 0.7684 0.8685 0.8685 1.6414 1.6414 1.6730 1.6730 1.8320 1.8320 2.0574 2.0574 2.1647 2.1647 2.4046 2.4046 2.7361 2.7361 2.8142 2.8142 3.4588 3.4588 3.4912 3.4912 4.4711 4.4711 4.4749 4.4749 5.1265 5.1265 5.2429 5.2429 6.8282 6.8282 7.0805 7.0805 9.3417 9.3417 10.2301 10.2301 11.0624 11.0624 k = 0.0000 0.1693-0.0000 ( 5070 PWs) bands (ev): -11.2851 -11.2851 -11.1121 -11.1121 -10.5041 -10.5041 -10.2794 -10.2794 -1.6203 -1.6203 -1.2257 -1.2257 -0.9405 -0.9405 -0.8585 -0.8585 0.7860 0.7860 0.8806 0.8806 1.6634 1.6634 1.6854 1.6854 1.8724 1.8724 2.0542 2.0542 2.1654 2.1654 2.4170 2.4170 2.7353 2.7353 2.8151 2.8151 3.4556 3.4556 3.4854 3.4854 4.4463 4.4463 4.4569 4.4569 5.1206 5.1206 5.2424 5.2424 6.8241 6.8241 7.0834 7.0834 9.2949 9.2949 10.2450 10.2450 11.0010 11.0010 k = 0.0000 0.1588-0.0000 ( 5062 PWs) bands (ev): -11.2926 -11.2926 -11.1155 -11.1155 -10.5087 -10.5087 -10.2781 -10.2781 -1.6253 -1.6253 -1.2177 -1.2177 -0.9414 -0.9414 -0.8560 -0.8560 0.8046 0.8046 0.8924 0.8924 1.6505 1.6505 1.7257 1.7257 1.9164 1.9164 2.0537 2.0537 2.1662 2.1662 2.4297 2.4297 2.7345 2.7345 2.8156 2.8156 3.4518 3.4518 3.4787 3.4787 4.4221 4.4221 4.4396 4.4396 5.1153 5.1153 5.2423 5.2423 6.8203 6.8203 7.0861 7.0861 9.2502 9.2502 10.2588 10.2588 10.9389 10.9389 k = 0.0000 0.1482-0.0000 ( 5068 PWs) bands (ev): -11.2998 -11.2998 -11.1188 -11.1188 -10.5130 -10.5130 -10.2770 -10.2770 -1.6302 -1.6302 -1.2101 -1.2101 -0.9422 -0.9422 -0.8535 -0.8535 0.8241 0.8241 0.9038 0.9038 1.6332 1.6332 1.7665 1.7665 1.9567 1.9567 2.0596 2.0596 2.1672 2.1672 2.4427 2.4427 2.7336 2.7336 2.8157 2.8157 3.4473 3.4473 3.4712 3.4712 4.3988 4.3988 4.4229 4.4229 5.1106 5.1106 5.2427 5.2427 6.8167 6.8167 7.0887 7.0887 9.2079 9.2079 10.2715 10.2715 10.8771 10.8771 k = 0.0000 0.1376-0.0000 ( 5070 PWs) bands (ev): -11.3066 -11.3066 -11.1220 -11.1220 -10.5171 -10.5171 -10.2759 -10.2759 -1.6350 -1.6350 -1.2030 -1.2030 -0.9430 -0.9430 -0.8511 -0.8511 0.8444 0.8444 0.9147 0.9147 1.6138 1.6138 1.8065 1.8065 1.9843 1.9843 2.0791 2.0791 2.1686 2.1686 2.4559 2.4559 2.7326 2.7326 2.8154 2.8154 3.4419 3.4419 3.4629 3.4629 4.3767 4.3767 4.4068 4.4068 5.1065 5.1065 5.2434 5.2434 6.8134 6.8134 7.0911 7.0911 9.1680 9.1680 10.2831 10.2831 10.8163 10.8163 k = 0.0000 0.1270-0.0000 ( 5068 PWs) bands (ev): -11.3130 -11.3130 -11.1251 -11.1251 -10.5209 -10.5209 -10.2750 -10.2750 -1.6395 -1.6395 -1.1965 -1.1965 -0.9437 -0.9437 -0.8488 -0.8488 0.8652 0.8652 0.9252 0.9252 1.5930 1.5930 1.8454 1.8454 1.9961 1.9961 2.1139 2.1139 2.1713 2.1713 2.4693 2.4693 2.7314 2.7314 2.8146 2.8146 3.4353 3.4353 3.4542 3.4542 4.3558 4.3558 4.3913 4.3913 5.1029 5.1029 5.2444 5.2444 6.8103 6.8103 7.0933 7.0933 9.1307 9.1307 10.2933 10.2933 10.7572 10.7572 k = 0.0000 0.1164-0.0000 ( 5066 PWs) bands (ev): -11.3190 -11.3190 -11.1280 -11.1280 -10.5245 -10.5245 -10.2741 -10.2741 -1.6438 -1.6438 -1.1905 -1.1905 -0.9444 -0.9444 -0.8466 -0.8466 0.8863 0.8863 0.9352 0.9352 1.5713 1.5713 1.8827 1.8827 1.9992 1.9992 2.1505 2.1505 2.1811 2.1811 2.4828 2.4828 2.7301 2.7301 2.8132 2.8132 3.4272 3.4272 3.4455 3.4455 4.3363 4.3363 4.3765 4.3765 5.0999 5.0999 5.2457 5.2457 6.8074 6.8074 7.0954 7.0954 9.0961 9.0961 10.3022 10.3022 10.7007 10.7007 k = 0.0000 0.1058-0.0000 ( 5063 PWs) bands (ev): -11.3246 -11.3246 -11.1307 -11.1307 -10.5278 -10.5278 -10.2734 -10.2734 -1.6479 -1.6479 -1.1851 -1.1851 -0.9451 -0.9451 -0.8445 -0.8445 0.9073 0.9073 0.9450 0.9450 1.5490 1.5490 1.9177 1.9177 1.9993 1.9993 2.1648 2.1648 2.2163 2.2163 2.4963 2.4963 2.7284 2.7284 2.8113 2.8113 3.4174 3.4174 3.4372 3.4372 4.3183 4.3183 4.3626 4.3626 5.0973 5.0973 5.2472 5.2472 6.8048 6.8048 7.0973 7.0973 9.0643 9.0643 10.3097 10.3097 10.6473 10.6473 k = 0.0000 0.0953-0.0000 ( 5075 PWs) bands (ev): -11.3297 -11.3297 -11.1333 -11.1333 -10.5308 -10.5308 -10.2727 -10.2727 -1.6517 -1.6517 -1.1802 -1.1802 -0.9457 -0.9457 -0.8425 -0.8425 0.9273 0.9273 0.9554 0.9554 1.5264 1.5264 1.9490 1.9490 1.9994 1.9994 2.1691 2.1691 2.2621 2.2621 2.5098 2.5098 2.7265 2.7265 2.8087 2.8087 3.4062 3.4062 3.4292 3.4292 4.3018 4.3018 4.3495 4.3495 5.0953 5.0953 5.2488 5.2488 6.8024 6.8024 7.0990 7.0990 9.0353 9.0353 10.3157 10.3157 10.5979 10.5979 k = 0.0000 0.0847-0.0000 ( 5083 PWs) bands (ev): -11.3343 -11.3343 -11.1356 -11.1356 -10.5336 -10.5336 -10.2722 -10.2722 -1.6552 -1.6552 -1.1758 -1.1758 -0.9462 -0.9462 -0.8408 -0.8408 0.9441 0.9441 0.9681 0.9681 1.5037 1.5037 1.9725 1.9725 2.0040 2.0040 2.1725 2.1725 2.3084 2.3084 2.5231 2.5231 2.7241 2.7241 2.8057 2.8057 3.3941 3.3941 3.4215 3.4215 4.2870 4.2870 4.3374 4.3374 5.0936 5.0936 5.2505 5.2505 6.8003 6.8003 7.1006 7.1006 9.0092 9.0092 10.3199 10.3199 10.5531 10.5531 k = 0.0000 0.0741-0.0000 ( 5083 PWs) bands (ev): -11.3384 -11.3384 -11.1377 -11.1377 -10.5360 -10.5360 -10.2717 -10.2717 -1.6583 -1.6583 -1.1720 -1.1720 -0.9467 -0.9467 -0.8391 -0.8391 0.9558 0.9558 0.9847 0.9847 1.4814 1.4814 1.9814 1.9814 2.0197 2.0197 2.1762 2.1762 2.3531 2.3531 2.5361 2.5361 2.7211 2.7211 2.8021 2.8021 3.3814 3.3814 3.4141 3.4141 4.2739 4.2739 4.3264 4.3264 5.0923 5.0923 5.2522 5.2522 6.7984 6.7984 7.1020 7.1020 8.9862 8.9862 10.3223 10.3223 10.5136 10.5136 k = 0.0000 0.0635-0.0000 ( 5105 PWs) bands (ev): -11.3420 -11.3420 -11.1396 -11.1396 -10.5382 -10.5382 -10.2713 -10.2713 -1.6611 -1.6611 -1.1687 -1.1687 -0.9471 -0.9471 -0.8377 -0.8377 0.9638 0.9638 1.0037 1.0037 1.4597 1.4597 1.9824 1.9824 2.0395 2.0395 2.1806 2.1806 2.3953 2.3953 2.5486 2.5486 2.7174 2.7174 2.7982 2.7982 3.3689 3.3689 3.4069 3.4069 4.2625 4.2625 4.3166 4.3166 5.0914 5.0914 5.2539 5.2539 6.7968 6.7968 7.1032 7.1032 8.9661 8.9661 10.3223 10.3223 10.4804 10.4804 k = 0.0000 0.0529-0.0000 ( 5109 PWs) bands (ev): -11.3451 -11.3451 -11.1412 -11.1412 -10.5400 -10.5400 -10.2710 -10.2710 -1.6635 -1.6635 -1.1659 -1.1659 -0.9475 -0.9475 -0.8365 -0.8365 0.9696 0.9696 1.0228 1.0228 1.4392 1.4392 1.9815 1.9815 2.0571 2.0571 2.1857 2.1857 2.4343 2.4343 2.5603 2.5603 2.7129 2.7129 2.7942 2.7942 3.3569 3.3569 3.4002 3.4002 4.2529 4.2529 4.3081 4.3081 5.0907 5.0907 5.2555 5.2555 6.7954 6.7954 7.1042 7.1042 8.9491 8.9491 10.3200 10.3200 10.4539 10.4539 k = 0.0000 0.0423-0.0000 ( 5103 PWs) bands (ev): -11.3476 -11.3476 -11.1425 -11.1425 -10.5415 -10.5415 -10.2707 -10.2707 -1.6655 -1.6655 -1.1636 -1.1636 -0.9478 -0.9478 -0.8355 -0.8355 0.9741 0.9741 1.0406 1.0406 1.4205 1.4205 1.9803 1.9803 2.0710 2.0710 2.1912 2.1912 2.4693 2.4693 2.5708 2.5708 2.7075 2.7075 2.7902 2.7902 3.3461 3.3461 3.3943 3.3943 4.2450 4.2450 4.3010 4.3010 5.0902 5.0902 5.2568 5.2568 6.7943 6.7943 7.1050 7.1050 8.9352 8.9352 10.3153 10.3153 10.4345 10.4345 k = 0.0000 0.0318-0.0000 ( 5111 PWs) bands (ev): -11.3496 -11.3496 -11.1435 -11.1435 -10.5427 -10.5427 -10.2705 -10.2705 -1.6671 -1.6671 -1.1619 -1.1619 -0.9480 -0.9480 -0.8347 -0.8347 0.9775 0.9775 1.0562 1.0562 1.4044 1.4044 1.9792 1.9792 2.0812 2.0812 2.1966 2.1966 2.4993 2.4993 2.5797 2.5797 2.7013 2.7013 2.7867 2.7867 3.3370 3.3370 3.3893 3.3893 4.2389 4.2389 4.2954 4.2954 5.0899 5.0899 5.2579 5.2579 6.7934 6.7934 7.1057 7.1057 8.9243 8.9243 10.3092 10.3092 10.4215 10.4215 k = 0.0000 0.0212-0.0000 ( 5115 PWs) bands (ev): -11.3510 -11.3510 -11.1443 -11.1443 -10.5435 -10.5435 -10.2703 -10.2703 -1.6682 -1.6682 -1.1606 -1.1606 -0.9482 -0.9482 -0.8341 -0.8341 0.9798 0.9798 1.0685 1.0685 1.3917 1.3917 1.9784 1.9784 2.0879 2.0879 2.2011 2.2011 2.5230 2.5230 2.5866 2.5866 2.6951 2.6951 2.7840 2.7840 3.3300 3.3300 3.3855 3.3855 4.2346 4.2346 4.2913 4.2913 5.0897 5.0897 5.2588 5.2588 6.7928 6.7928 7.1062 7.1062 8.9166 8.9166 10.3033 10.3033 10.4136 10.4136 k = 0.0000 0.0106-0.0000 ( 5115 PWs) bands (ev): -11.3519 -11.3519 -11.1447 -11.1447 -10.5440 -10.5440 -10.2703 -10.2703 -1.6689 -1.6689 -1.1599 -1.1599 -0.9483 -0.9483 -0.8337 -0.8337 0.9812 0.9812 1.0764 1.0764 1.3836 1.3836 1.9779 1.9779 2.0918 2.0918 2.2042 2.2042 2.5387 2.5387 2.5909 2.5909 2.6901 2.6901 2.7822 2.7822 3.3257 3.3257 3.3831 3.3831 4.2320 4.2320 4.2889 4.2889 5.0896 5.0896 5.2593 5.2593 6.7924 6.7924 7.1064 7.1064 8.9119 8.9119 10.2990 10.2990 10.4095 10.4095 k = 0.0000 0.0000 0.0000 ( 5111 PWs) bands (ev): -11.3521 -11.3521 -11.1449 -11.1449 -10.5442 -10.5442 -10.2702 -10.2702 -1.6691 -1.6691 -1.1596 -1.1596 -0.9483 -0.9483 -0.8336 -0.8336 0.9817 0.9817 1.0791 1.0791 1.3808 1.3808 1.9777 1.9777 2.0930 2.0930 2.2052 2.2052 2.5442 2.5442 2.5924 2.5924 2.6882 2.6882 2.7816 2.7816 3.3242 3.3242 3.3823 3.3823 4.2311 4.2311 4.2881 4.2881 5.0895 5.0895 5.2595 5.2595 6.7923 6.7923 7.1065 7.1065 8.9104 8.9104 10.2975 10.2975 10.4082 10.4082 k = 0.0000 0.0000 0.0000 ( 5111 PWs) bands (ev): -11.3521 -11.3521 -11.1449 -11.1449 -10.5442 -10.5442 -10.2702 -10.2702 -1.6691 -1.6691 -1.1596 -1.1596 -0.9483 -0.9483 -0.8336 -0.8336 0.9817 0.9817 1.0791 1.0791 1.3808 1.3808 1.9777 1.9777 2.0930 2.0930 2.2052 2.2052 2.5442 2.5442 2.5924 2.5924 2.6882 2.6882 2.7816 2.7816 3.3242 3.3242 3.3823 3.3823 4.2311 4.2311 4.2881 4.2881 5.0895 5.0895 5.2595 5.2595 6.7923 6.7923 7.1065 7.1065 8.9104 8.9104 10.2975 10.2975 10.4082 10.4082 k = 0.0000 0.0000 0.0101 ( 5107 PWs) bands (ev): -11.3517 -11.3517 -11.1457 -11.1457 -10.5432 -10.5432 -10.2708 -10.2708 -1.6678 -1.6678 -1.1610 -1.1610 -0.9481 -0.9481 -0.8343 -0.8343 0.9811 0.9811 1.0785 1.0785 1.3848 1.3848 1.9783 1.9783 2.0935 2.0935 2.2052 2.2052 2.5428 2.5428 2.5863 2.5863 2.6920 2.6920 2.7818 2.7818 3.3244 3.3244 3.3822 3.3822 4.2313 4.2313 4.2879 4.2879 5.0901 5.0901 5.2591 5.2591 6.7931 6.7931 7.1057 7.1057 8.9132 8.9132 10.2992 10.2992 10.3988 10.3988 k = 0.0000 0.0000 0.0202 ( 5103 PWs) bands (ev): -11.3504 -11.3504 -11.1481 -11.1481 -10.5402 -10.5402 -10.2727 -10.2727 -1.6641 -1.6641 -1.1652 -1.1652 -0.9477 -0.9477 -0.8364 -0.8364 0.9793 0.9793 1.0765 1.0765 1.3965 1.3965 1.9800 1.9800 2.0950 2.0950 2.2051 2.2051 2.5382 2.5382 2.5704 2.5704 2.7014 2.7014 2.7824 2.7824 3.3250 3.3250 3.3818 3.3818 4.2318 4.2318 4.2876 4.2876 5.0917 5.0917 5.2579 5.2579 6.7957 6.7957 7.1031 7.1031 8.9216 8.9216 10.3035 10.3035 10.3728 10.3728 k = 0.0000 0.0000 0.0303 ( 5099 PWs) bands (ev): -11.3483 -11.3483 -11.1521 -11.1521 -10.5354 -10.5354 -10.2757 -10.2757 -1.6578 -1.6578 -1.1721 -1.1721 -0.9470 -0.9470 -0.8398 -0.8398 0.9768 0.9768 1.0732 1.0732 1.4154 1.4154 1.9828 1.9828 2.0973 2.0973 2.2051 2.2051 2.5291 2.5291 2.5498 2.5498 2.7129 2.7129 2.7833 2.7833 3.3260 3.3260 3.3812 3.3812 4.2326 4.2326 4.2869 4.2869 5.0943 5.0943 5.2559 5.2559 6.8000 6.8000 7.0988 7.0988 8.9356 8.9356 10.3016 10.3016 10.3426 10.3426 k = 0.0000 0.0000 0.0404 ( 5083 PWs) bands (ev): -11.3453 -11.3453 -11.1575 -11.1575 -10.5288 -10.5288 -10.2800 -10.2800 -1.6492 -1.6492 -1.1819 -1.1819 -0.9459 -0.9459 -0.8442 -0.8442 0.9738 0.9738 1.0689 1.0689 1.4408 1.4408 1.9867 1.9867 2.0997 2.0997 2.2058 2.2058 2.5102 2.5102 2.5321 2.5321 2.7246 2.7246 2.7844 2.7844 3.3274 3.3274 3.3804 3.3804 4.2337 4.2337 4.2860 4.2860 5.0979 5.0979 5.2531 5.2531 6.8058 6.8058 7.0929 7.0929 8.9551 8.9551 10.2636 10.2636 10.3419 10.3419 k = 0.0000 0.0000 0.0505 ( 5081 PWs) bands (ev): -11.3415 -11.3415 -11.1641 -11.1641 -10.5206 -10.5206 -10.2854 -10.2854 -1.6381 -1.6381 -1.1943 -1.1943 -0.9445 -0.9445 -0.8495 -0.8495 0.9710 0.9710 1.0636 1.0636 1.4719 1.4719 1.9915 1.9915 2.1018 2.1018 2.2076 2.2076 2.4811 2.4811 2.5188 2.5188 2.7355 2.7355 2.7857 2.7857 3.3292 3.3292 3.3793 3.3793 4.2352 4.2352 4.2848 4.2848 5.1025 5.1025 5.2495 5.2495 6.8133 6.8133 7.0854 7.0854 8.9800 8.9800 10.2051 10.2051 10.3580 10.3580 k = 0.0000 0.0000 0.0606 ( 5083 PWs) bands (ev): -11.3369 -11.3369 -11.1719 -11.1719 -10.5109 -10.5109 -10.2920 -10.2920 -1.6248 -1.6248 -1.2095 -1.2095 -0.9428 -0.9428 -0.8554 -0.8554 0.9686 0.9686 1.0574 1.0574 1.5077 1.5077 1.9973 1.9973 2.1026 2.1026 2.2113 2.2113 2.4473 2.4473 2.5054 2.5054 2.7453 2.7453 2.7871 2.7871 3.3312 3.3312 3.3780 3.3780 4.2369 4.2369 4.2834 4.2834 5.1079 5.1079 5.2452 5.2452 6.8222 6.8222 7.0764 7.0764 9.0101 9.0101 10.1392 10.1392 10.3798 10.3798 k = 0.0000 0.0000 0.0707 ( 5093 PWs) bands (ev): -11.3315 -11.3315 -11.1806 -11.1806 -10.5001 -10.5001 -10.2996 -10.2996 -1.6093 -1.6093 -1.2271 -1.2271 -0.9406 -0.9406 -0.8618 -0.8618 0.9669 0.9669 1.0506 1.0506 1.5476 1.5476 2.0036 2.0036 2.1017 2.1017 2.2173 2.2173 2.4105 2.4105 2.4909 2.4909 2.7541 2.7541 2.7884 2.7884 3.3335 3.3335 3.3764 3.3764 4.2389 4.2389 4.2817 4.2817 5.1141 5.1141 5.2402 5.2402 6.8326 6.8326 7.0660 7.0660 9.0453 9.0453 10.0690 10.0690 10.4057 10.4057 k = 0.0000 0.0000 0.0808 ( 5075 PWs) bands (ev): -11.3253 -11.3253 -11.1901 -11.1901 -10.4881 -10.4881 -10.3083 -10.3083 -1.5917 -1.5917 -1.2470 -1.2470 -0.9382 -0.9382 -0.8683 -0.8683 0.9662 0.9662 1.0433 1.0433 1.5908 1.5908 2.0104 2.0104 2.0986 2.0986 2.2260 2.2260 2.3717 2.3717 2.4751 2.4751 2.7617 2.7617 2.7896 2.7896 3.3361 3.3361 3.3747 3.3747 4.2412 4.2412 4.2798 4.2798 5.1210 5.1210 5.2346 5.2346 6.8442 6.8442 7.0543 7.0543 9.0854 9.0854 9.9961 9.9961 10.4350 10.4350 k = 0.0000 0.0000 0.0910 ( 5079 PWs) bands (ev): -11.3184 -11.3184 -11.2001 -11.2001 -10.4754 -10.4754 -10.3179 -10.3179 -1.5722 -1.5722 -1.2689 -1.2689 -0.9353 -0.9353 -0.8749 -0.8749 0.9666 0.9666 1.0356 1.0356 1.6366 1.6366 2.0167 2.0167 2.0936 2.0936 2.2371 2.2371 2.3317 2.3317 2.4581 2.4581 2.7683 2.7683 2.7906 2.7906 3.3389 3.3389 3.3727 3.3727 4.2437 4.2437 4.2777 4.2777 5.1285 5.1285 5.2283 5.2283 6.8569 6.8569 7.0415 7.0415 9.1301 9.1301 9.9216 9.9216 10.4673 10.4673 k = 0.0000 0.0000 0.1011 ( 5073 PWs) bands (ev): -11.3109 -11.3109 -11.2106 -11.2106 -10.4620 -10.4620 -10.3284 -10.3284 -1.5509 -1.5509 -1.2926 -1.2926 -0.9321 -0.9321 -0.8814 -0.8814 0.9680 0.9680 1.0277 1.0277 1.6842 1.6842 2.0210 2.0210 2.0881 2.0881 2.2500 2.2500 2.2921 2.2921 2.4401 2.4401 2.7739 2.7739 2.7914 2.7914 3.3418 3.3418 3.3705 3.3705 4.2463 4.2463 4.2753 4.2753 5.1366 5.1366 5.2214 5.2214 6.8707 6.8707 7.0277 7.0277 9.1793 9.1793 9.8464 9.8464 10.5020 10.5020 k = 0.0000 0.0000 0.1112 ( 5053 PWs) bands (ev): -11.3026 -11.3026 -11.2214 -11.2214 -10.4482 -10.4482 -10.3398 -10.3398 -1.5280 -1.5280 -1.3177 -1.3177 -0.9285 -0.9285 -0.8878 -0.8878 0.9705 0.9705 1.0197 1.0197 1.7329 1.7329 2.0200 2.0200 2.0848 2.0848 2.2475 2.2475 2.2705 2.2705 2.4213 2.4213 2.7785 2.7785 2.7919 2.7919 3.3448 3.3448 3.3681 3.3681 4.2491 4.2491 4.2728 4.2728 5.1450 5.1450 5.2139 5.2139 6.8853 6.8853 7.0130 7.0130 9.2327 9.2327 9.7712 9.7712 10.5388 10.5388 k = 0.0000 0.0000 0.1213 ( 5053 PWs) bands (ev): -11.2938 -11.2938 -11.2322 -11.2322 -10.4341 -10.4341 -10.3519 -10.3519 -1.5038 -1.5038 -1.3439 -1.3439 -0.9246 -0.9246 -0.8939 -0.8939 0.9741 0.9741 1.0118 1.0118 1.7819 1.7819 2.0095 2.0095 2.0873 2.0873 2.2125 2.2125 2.2854 2.2854 2.4019 2.4019 2.7824 2.7824 2.7920 2.7920 3.3478 3.3478 3.3656 3.3656 4.2521 4.2521 4.2700 4.2700 5.1537 5.1537 5.2061 5.2061 6.9006 6.9006 6.9977 6.9977 9.2900 9.2900 9.6967 9.6967 10.5770 10.5770 k = 0.0000 0.0000 0.1314 ( 5051 PWs) bands (ev): -11.2845 -11.2845 -11.2431 -11.2431 -10.4198 -10.4198 -10.3646 -10.3646 -1.4784 -1.4784 -1.3708 -1.3708 -0.9203 -0.9203 -0.8998 -0.8998 0.9786 0.9786 1.0042 1.0042 1.8303 1.8303 1.9883 1.9883 2.0961 2.0961 2.1795 2.1795 2.3033 2.3033 2.3820 2.3820 2.7855 2.7855 2.7918 2.7918 3.3509 3.3509 3.3629 3.3629 4.2551 4.2551 4.2672 4.2672 5.1625 5.1625 5.1978 5.1978 6.9165 6.9165 6.9818 6.9818 9.3509 9.3509 9.6233 9.6233 10.6161 10.6161 k = 0.0000 0.0000 0.1415 ( 5058 PWs) bands (ev): -11.2746 -11.2746 -11.2539 -11.2539 -10.4056 -10.4056 -10.3779 -10.3779 -1.4521 -1.4521 -1.3980 -1.3980 -0.9156 -0.9156 -0.9054 -0.9054 0.9840 0.9840 0.9969 0.9969 1.8768 1.8768 1.9578 1.9578 2.1100 2.1100 2.1513 2.1513 2.3224 2.3224 2.3620 2.3620 2.7879 2.7879 2.7910 2.7910 3.3540 3.3540 3.3600 3.3600 4.2581 4.2581 4.2642 4.2642 5.1715 5.1715 5.1892 5.1892 6.9327 6.9327 6.9655 6.9655 9.4150 9.4150 9.5516 9.5516 10.6553 10.6553 k = 0.0000 0.0000 0.1516 ( 5062 PWs) bands (ev): -11.2644 -11.2644 -11.2644 -11.2644 -10.3916 -10.3916 -10.3916 -10.3916 -1.4253 -1.4253 -1.4252 -1.4252 -0.9108 -0.9108 -0.9106 -0.9106 0.9900 0.9900 0.9902 0.9902 1.9199 1.9199 1.9199 1.9199 2.1283 2.1283 2.1283 2.1283 2.3420 2.3420 2.3421 2.3421 2.7896 2.7896 2.7899 2.7899 3.3569 3.3569 3.3572 3.3572 4.2610 4.2610 4.2614 4.2614 5.1803 5.1803 5.1805 5.1805 6.9490 6.9490 6.9492 6.9492 9.4820 9.4820 9.4821 9.4821 10.6940 10.6940 k = 0.0000 0.0000 0.1516 ( 5062 PWs) bands (ev): -11.2644 -11.2644 -11.2644 -11.2644 -10.3916 -10.3916 -10.3916 -10.3916 -1.4253 -1.4253 -1.4252 -1.4252 -0.9108 -0.9108 -0.9106 -0.9106 0.9900 0.9900 0.9902 0.9902 1.9199 1.9199 1.9199 1.9199 2.1283 2.1283 2.1283 2.1283 2.3420 2.3420 2.3421 2.3421 2.7896 2.7896 2.7899 2.7899 3.3569 3.3569 3.3572 3.3572 4.2610 4.2610 4.2614 4.2614 5.1803 5.1803 5.1805 5.1805 6.9490 6.9490 6.9492 6.9492 9.4820 9.4820 9.4821 9.4821 10.6940 10.6940 k = 0.0106-0.0000 0.1516 ( 5054 PWs) bands (ev): -11.2637 -11.2637 -11.2635 -11.2635 -10.3919 -10.3919 -10.3916 -10.3916 -1.4262 -1.4262 -1.4219 -1.4219 -0.9139 -0.9139 -0.9072 -0.9072 0.9898 0.9898 0.9922 0.9922 1.9118 1.9118 1.9203 1.9203 2.1142 2.1142 2.1190 2.1190 2.3399 2.3399 2.3414 2.3414 2.8015 2.8015 2.8035 2.8035 3.3545 3.3545 3.3619 3.3619 4.2618 4.2618 4.2623 4.2623 5.1772 5.1772 5.1814 5.1814 6.9447 6.9447 6.9463 6.9463 9.4855 9.4855 9.4861 9.4861 10.6965 10.6967 k = 0.0213-0.0000 0.1516 ( 5058 PWs) bands (ev): -11.2615 -11.2615 -11.2610 -11.2610 -10.3924 -10.3924 -10.3917 -10.3917 -1.4249 -1.4249 -1.4164 -1.4164 -0.9169 -0.9169 -0.9035 -0.9035 0.9914 0.9914 0.9961 0.9961 1.8928 1.8928 1.9113 1.9113 2.0808 2.0808 2.0935 2.0935 2.3340 2.3340 2.3388 2.3388 2.8355 2.8355 2.8397 2.8397 3.3542 3.3542 3.3689 3.3689 4.2642 4.2642 4.2651 4.2651 5.1718 5.1718 5.1802 5.1802 6.9331 6.9331 6.9363 6.9363 9.4964 9.4964 9.4975 9.4975 10.7042 10.7045 k = 0.0319-0.0000 0.1516 ( 5058 PWs) bands (ev): -11.2576 -11.2576 -11.2569 -11.2569 -10.3931 -10.3931 -10.3921 -10.3921 -1.4214 -1.4214 -1.4085 -1.4085 -0.9195 -0.9195 -0.8995 -0.8995 0.9946 0.9946 1.0017 1.0017 1.8565 1.8565 1.8851 1.8851 2.0430 2.0430 2.0650 2.0650 2.3248 2.3248 2.3343 2.3343 2.8848 2.8848 2.8915 2.8915 3.3561 3.3561 3.3782 3.3782 4.2685 4.2685 4.2695 4.2695 5.1642 5.1642 5.1768 5.1768 6.9148 6.9148 6.9194 6.9194 9.5145 9.5145 9.5160 9.5160 10.7172 10.7172 k = 0.0426-0.0000 0.1516 ( 5064 PWs) bands (ev): -11.2522 -11.2522 -11.2512 -11.2512 -10.3940 -10.3940 -10.3927 -10.3927 -1.4158 -1.4158 -1.3984 -1.3984 -0.9217 -0.9217 -0.8951 -0.8951 0.9996 0.9996 1.0092 1.0092 1.7983 1.7983 1.8319 1.8319 2.0174 2.0174 2.0440 2.0440 2.3129 2.3129 2.3276 2.3276 2.9428 2.9428 2.9519 2.9519 3.3601 3.3601 3.3897 3.3897 4.2745 4.2745 4.2755 4.2755 5.1544 5.1544 5.1713 5.1713 6.8905 6.8905 6.8964 6.8964 9.5394 9.5394 9.5412 9.5412 10.7342 10.7346 k = 0.0532-0.0000 0.1516 ( 5072 PWs) bands (ev): -11.2452 -11.2452 -11.2440 -11.2440 -10.3951 -10.3951 -10.3936 -10.3936 -1.4081 -1.4081 -1.3862 -1.3862 -0.9233 -0.9233 -0.8900 -0.8900 1.0060 1.0060 1.0182 1.0182 1.7209 1.7209 1.7547 1.7547 2.0059 2.0059 2.0323 2.0323 2.2989 2.2989 2.3185 2.3185 3.0048 3.0048 3.0162 3.0162 3.3660 3.3660 3.4033 3.4033 4.2824 4.2824 4.2830 4.2830 5.1425 5.1425 5.1636 5.1636 6.8609 6.8609 6.8679 6.8679 9.5706 9.5706 9.5726 9.5726 10.7561 10.7566 k = 0.0638-0.0000 0.1516 ( 5076 PWs) bands (ev): -11.2366 -11.2366 -11.2353 -11.2353 -10.3965 -10.3965 -10.3946 -10.3946 -1.3985 -1.3985 -1.3720 -1.3720 -0.9242 -0.9242 -0.8842 -0.8842 1.0137 1.0137 1.0288 1.0288 1.6302 1.6302 1.6632 1.6632 2.0020 2.0020 2.0265 2.0265 2.2832 2.2832 2.3073 2.3073 3.0679 3.0679 3.0810 3.0810 3.3738 3.3738 3.4193 3.4193 4.2918 4.2918 4.2922 4.2922 5.1285 5.1285 5.1538 5.1538 6.8272 6.8272 6.8349 6.8349 9.6075 9.6075 9.6096 9.6096 10.7826 10.7827 k = 0.0745-0.0000 0.1516 ( 5076 PWs) bands (ev): -11.2266 -11.2266 -11.2250 -11.2250 -10.3980 -10.3980 -10.3958 -10.3958 -1.3872 -1.3872 -1.3558 -1.3558 -0.9240 -0.9240 -0.8774 -0.8774 1.0221 1.0221 1.0407 1.0407 1.5312 1.5312 1.5640 1.5640 2.0013 2.0013 2.0236 2.0236 2.2665 2.2665 2.2940 2.2940 3.1300 3.1300 3.1439 3.1439 3.3832 3.3832 3.4376 3.4376 4.3022 4.3022 4.3035 4.3035 5.1124 5.1124 5.1419 5.1419 6.7903 6.7903 6.7985 6.7985 9.6495 9.6495 9.6515 9.6515 10.8124 10.8125 k = 0.0851-0.0000 0.1516 ( 5080 PWs) bands (ev): -11.2151 -11.2151 -11.2132 -11.2132 -10.3998 -10.3998 -10.3973 -10.3973 -1.3742 -1.3742 -1.3381 -1.3381 -0.9224 -0.9224 -0.8693 -0.8693 1.0302 1.0302 1.0533 1.0533 1.4272 1.4272 1.4615 1.4615 2.0015 2.0015 2.0214 2.0214 2.2491 2.2491 2.2791 2.2791 3.1900 3.1900 3.2032 3.2032 3.3940 3.3940 3.4588 3.4588 4.3139 4.3139 4.3167 4.3167 5.0943 5.0943 5.1281 5.1281 6.7513 6.7513 6.7598 6.7598 9.6957 9.6957 9.6976 9.6976 10.8456 10.8457 k = 0.0957-0.0000 0.1516 ( 5072 PWs) bands (ev): -11.2021 -11.2021 -11.2000 -11.2000 -10.4017 -10.4017 -10.3989 -10.3989 -1.3599 -1.3599 -1.3189 -1.3189 -0.9192 -0.9192 -0.8598 -0.8598 1.0354 1.0354 1.0649 1.0649 1.3216 1.3216 1.3599 1.3599 2.0014 2.0014 2.0186 2.0186 2.2316 2.2316 2.2629 2.2629 3.2468 3.2468 3.2576 3.2576 3.4061 3.4061 3.4830 3.4830 4.3267 4.3267 4.3313 4.3313 5.0744 5.0744 5.1124 5.1124 6.7114 6.7114 6.7197 6.7197 9.7456 9.7456 9.7472 9.7472 10.8820 10.8820 k = 0.1064-0.0000 0.1516 ( 5070 PWs) bands (ev): -11.1877 -11.1877 -11.1854 -11.1854 -10.4038 -10.4038 -10.4007 -10.4007 -1.3444 -1.3444 -1.2987 -1.2987 -0.9138 -0.9138 -0.8484 -0.8484 1.0305 1.0305 1.0687 1.0687 1.2227 1.2227 1.2677 1.2677 2.0001 2.0001 2.0138 2.0138 2.2146 2.2146 2.2456 2.2456 3.3001 3.3001 3.3058 3.3058 3.4192 3.4192 3.5109 3.5109 4.3407 4.3407 4.3475 4.3475 5.0526 5.0526 5.0948 5.0948 6.6717 6.6717 6.6795 6.6795 9.7982 9.7982 9.7995 9.7995 10.9210 10.9211 k = 0.1170-0.0000 0.1516 ( 5078 PWs) bands (ev): -11.1720 -11.1720 -11.1695 -11.1695 -10.4061 -10.4061 -10.4027 -10.4027 -1.3279 -1.3279 -1.2778 -1.2778 -0.9059 -0.9059 -0.8349 -0.8349 0.9978 0.9978 1.0332 1.0332 1.1627 1.1627 1.2033 1.2033 1.9967 1.9967 2.0061 2.0061 2.1983 2.1983 2.2277 2.2277 3.3473 3.3473 3.3492 3.3492 3.4335 3.4335 3.5422 3.5422 4.3557 4.3557 4.3649 4.3649 5.0292 5.0292 5.0754 5.0754 6.6331 6.6331 6.6400 6.6400 9.8527 9.8527 9.8539 9.8539 10.9625 10.9625 k = 0.1277-0.0000 0.1516 ( 5076 PWs) bands (ev): -11.1550 -11.1550 -11.1522 -11.1522 -10.4086 -10.4086 -10.4049 -10.4049 -1.3106 -1.3106 -1.2566 -1.2566 -0.8950 -0.8950 -0.8192 -0.8192 0.9240 0.9240 0.9410 0.9410 1.1597 1.1597 1.1808 1.1808 1.9907 1.9907 1.9951 1.9951 2.1828 2.1828 2.2094 2.2094 3.3824 3.3824 3.3937 3.3937 3.4491 3.4491 3.5764 3.5764 4.3718 4.3718 4.3833 4.3833 5.0043 5.0043 5.0545 5.0545 6.5967 6.5967 6.6022 6.6022 9.9084 9.9084 9.9095 9.9095 11.0060 11.0060 k = 0.1383-0.0000 0.1516 ( 5068 PWs) bands (ev): -11.1367 -11.1367 -11.1337 -11.1337 -10.4112 -10.4112 -10.4073 -10.4073 -1.2928 -1.2928 -1.2354 -1.2354 -0.8806 -0.8806 -0.8009 -0.8009 0.8251 0.8251 0.8307 0.8307 1.1756 1.1756 1.1845 1.1845 1.9804 1.9804 1.9816 1.9816 2.1681 2.1681 2.1906 2.1906 3.4120 3.4120 3.4317 3.4317 3.4676 3.4676 3.6123 3.6123 4.3887 4.3887 4.4025 4.4025 4.9780 4.9780 5.0320 5.0320 6.5632 6.5632 6.5671 6.5671 9.9643 9.9643 9.9655 9.9655 11.0512 11.0513 k = 0.1489-0.0000 0.1516 ( 5076 PWs) bands (ev): -11.1172 -11.1172 -11.1140 -11.1140 -10.4140 -10.4140 -10.4098 -10.4098 -1.2745 -1.2745 -1.2147 -1.2147 -0.8624 -0.8624 -0.7799 -0.7799 0.7160 0.7160 0.7165 0.7165 1.1971 1.1971 1.1996 1.1996 1.9623 1.9623 1.9694 1.9694 2.1534 2.1534 2.1714 2.1714 3.4371 3.4371 3.4600 3.4600 3.4923 3.4923 3.6484 3.6484 4.4064 4.4064 4.4222 4.4222 4.9506 4.9506 5.0083 5.0083 6.5335 6.5335 6.5352 6.5352 10.0194 10.0194 10.0210 10.0210 11.0979 11.0979 k = 0.1596-0.0000 0.1516 ( 5070 PWs) bands (ev): -11.0966 -11.0966 -11.0931 -11.0931 -10.4169 -10.4169 -10.4124 -10.4124 -1.2560 -1.2560 -1.1947 -1.1947 -0.8401 -0.8401 -0.7562 -0.7562 0.6002 0.6002 0.6047 0.6047 1.2202 1.2202 1.2216 1.2216 1.9414 1.9414 1.9541 1.9541 2.1379 2.1379 2.1512 2.1512 3.4590 3.4590 3.4795 3.4795 3.5222 3.5222 3.6835 3.6835 4.4249 4.4249 4.4420 4.4420 4.9221 4.9221 4.9834 4.9834 6.5074 6.5074 6.5083 6.5083 10.0729 10.0729 10.0752 10.0752 11.1458 11.1458 k = 0.1702-0.0000 0.1516 ( 5072 PWs) bands (ev): -11.0750 -11.0750 -11.0712 -11.0712 -10.4200 -10.4200 -10.4152 -10.4152 -1.2372 -1.2372 -1.1755 -1.1755 -0.8138 -0.8138 -0.7301 -0.7301 0.4846 0.4846 0.4921 0.4921 1.2442 1.2442 1.2481 1.2481 1.9181 1.9181 1.9359 1.9359 2.1208 2.1208 2.1297 2.1297 3.4783 3.4783 3.4954 3.4954 3.5521 3.5521 3.7166 3.7166 4.4440 4.4440 4.4616 4.4616 4.8928 4.8928 4.9577 4.9577 6.4842 6.4842 6.4880 6.4880 10.1238 10.1238 10.1270 10.1270 11.1946 11.1946 k = 0.1809-0.0000 0.1516 ( 5068 PWs) bands (ev): -11.0524 -11.0524 -11.0484 -11.0484 -10.4232 -10.4232 -10.4181 -10.4181 -1.2182 -1.2182 -1.1570 -1.1570 -0.7836 -0.7836 -0.7017 -0.7017 0.3700 0.3700 0.3805 0.3805 1.2706 1.2706 1.2763 1.2763 1.8930 1.8930 1.9153 1.9153 2.1013 2.1013 2.1062 2.1062 3.4956 3.4956 3.5097 3.5097 3.5801 3.5801 3.7472 3.7472 4.4637 4.4637 4.4806 4.4806 4.8629 4.8629 4.9316 4.9316 6.4660 6.4660 6.4730 6.4730 10.1711 10.1711 10.1756 10.1756 11.2441 11.2441 k = 0.1915-0.0000 0.1516 ( 5078 PWs) bands (ev): -11.0288 -11.0288 -11.0246 -11.0246 -10.4264 -10.4264 -10.4211 -10.4211 -1.1989 -1.1989 -1.1392 -1.1392 -0.7502 -0.7502 -0.6719 -0.6719 0.2575 0.2575 0.2713 0.2713 1.2987 1.2987 1.3058 1.3058 1.8666 1.8666 1.8926 1.8926 2.0788 2.0788 2.0803 2.0803 3.5112 3.5112 3.5230 3.5230 3.6058 3.6058 3.7748 3.7748 4.4837 4.4837 4.4983 4.4983 4.8326 4.8326 4.9053 4.9053 6.4532 6.4532 6.4637 6.4637 10.2138 10.2138 10.2199 10.2199 11.2943 11.2943 k = 0.2021-0.0000 0.1516 ( 5080 PWs) bands (ev): -11.0045 -11.0045 -11.0000 -11.0000 -10.4298 -10.4298 -10.4242 -10.4242 -1.1793 -1.1793 -1.1216 -1.1216 -0.7146 -0.7146 -0.6418 -0.6418 0.1480 0.1480 0.1661 0.1661 1.3283 1.3283 1.3363 1.3363 1.8394 1.8394 1.8684 1.8684 2.0515 2.0515 2.0529 2.0529 3.5251 3.5251 3.5353 3.5353 3.6291 3.6291 3.7991 3.7991 4.5041 4.5041 4.5144 4.5144 4.8021 4.8021 4.8796 4.8796 6.4460 6.4460 6.4602 6.4602 10.2510 10.2510 10.2590 10.2590 11.3450 11.3450 k = 0.2128-0.0000 0.1516 ( 5082 PWs) bands (ev): -10.9795 -10.9795 -10.9747 -10.9747 -10.4332 -10.4332 -10.4273 -10.4273 -1.1591 -1.1591 -1.1041 -1.1041 -0.6783 -0.6783 -0.6135 -0.6135 0.0431 0.0431 0.0673 0.0673 1.3589 1.3589 1.3676 1.3676 1.8117 1.8117 1.8429 1.8429 2.0197 2.0197 2.0234 2.0234 3.5376 3.5376 3.5465 3.5465 3.6502 3.6502 3.8200 3.8200 4.5245 4.5245 4.5280 4.5280 4.7718 4.7718 4.8552 4.8552 6.4445 6.4445 6.4624 6.4624 10.2819 10.2819 10.2919 10.2919 11.3962 11.3962 k = 0.2234-0.0000 0.1516 ( 5074 PWs) bands (ev): -10.9538 -10.9538 -10.9488 -10.9488 -10.4367 -10.4367 -10.4306 -10.4306 -1.1382 -1.1382 -1.0863 -1.0863 -0.6441 -0.6441 -0.5909 -0.5909 -0.0544 -0.0544 -0.0212 -0.0212 1.3900 1.3900 1.3992 1.3992 1.7838 1.7838 1.8165 1.8165 1.9850 1.9850 1.9906 1.9906 3.5486 3.5486 3.5566 3.5566 3.6690 3.6690 3.8375 3.8375 4.5382 4.5382 4.5445 4.5445 4.7423 4.7423 4.8331 4.8331 6.4487 6.4487 6.4704 6.4704 10.3058 10.3058 10.3179 10.3179 11.4479 11.4479 k = 0.2340-0.0000 0.1516 ( 5068 PWs) bands (ev): -10.9277 -10.9277 -10.9224 -10.9224 -10.4402 -10.4402 -10.4338 -10.4338 -1.1166 -1.1166 -1.0680 -1.0680 -0.6172 -0.6172 -0.5805 -0.5805 -0.1393 -0.1393 -0.0927 -0.0927 1.4210 1.4210 1.4305 1.4305 1.7560 1.7560 1.7892 1.7892 1.9481 1.9481 1.9548 1.9548 3.5580 3.5580 3.5654 3.5654 3.6856 3.6856 3.8513 3.8513 4.5441 4.5441 4.5631 4.5631 4.7145 4.7145 4.8144 4.8144 6.4585 6.4585 6.4840 6.4840 10.3224 10.3224 10.3364 10.3364 11.4998 11.4998 k = 0.2447-0.0000 0.1516 ( 5076 PWs) bands (ev): -10.9011 -10.9011 -10.8956 -10.8956 -10.4437 -10.4437 -10.4371 -10.4371 -1.0940 -1.0940 -1.0489 -1.0489 -0.6068 -0.6068 -0.5908 -0.5908 -0.2025 -0.2025 -0.1386 -0.1386 1.4508 1.4508 1.4603 1.4603 1.7285 1.7285 1.7610 1.7610 1.9102 1.9102 1.9171 1.9171 3.5657 3.5657 3.5727 3.5727 3.6999 3.6999 3.8615 3.8615 4.5448 4.5448 4.5783 4.5783 4.6907 4.6907 4.8002 4.8002 6.4739 6.4739 6.5028 6.5028 10.3313 10.3313 10.3470 10.3470 11.5520 11.5520 k = 0.2553-0.0000 0.1516 ( 5074 PWs) bands (ev): -10.8743 -10.8743 -10.8684 -10.8684 -10.4472 -10.4472 -10.4404 -10.4404 -1.0705 -1.0705 -1.0291 -1.0291 -0.6272 -0.6272 -0.6241 -0.6241 -0.2326 -0.2326 -0.1533 -0.1533 1.4777 1.4777 1.4864 1.4864 1.7017 1.7017 1.7315 1.7315 1.8739 1.8739 1.8795 1.8795 3.5716 3.5716 3.5784 3.5784 3.7118 3.7118 3.8680 3.8680 4.5396 4.5396 4.5850 4.5850 4.6761 4.6761 4.7915 4.7915 6.4944 6.4944 6.5265 6.5265 10.3327 10.3327 10.3497 10.3497 11.6040 11.6040 k = 0.2660-0.0000 0.1516 ( 5078 PWs) bands (ev): -10.8473 -10.8473 -10.8411 -10.8411 -10.4507 -10.4507 -10.4436 -10.4436 -1.0459 -1.0459 -1.0089 -1.0089 -0.6861 -0.6861 -0.6710 -0.6710 -0.2272 -0.2272 -0.1404 -0.1404 1.4988 1.4988 1.5055 1.5055 1.6758 1.6758 1.6998 1.6998 1.8431 1.8431 1.8457 1.8457 3.5754 3.5754 3.5823 3.5823 3.7211 3.7211 3.8708 3.8708 4.5290 4.5290 4.5775 4.5775 4.6764 4.6764 4.7881 4.7881 6.5197 6.5197 6.5548 6.5548 10.3268 10.3268 10.3448 10.3448 11.6555 11.6555 k = 0.2766-0.0000 0.1516 ( 5074 PWs) bands (ev): -10.8202 -10.8202 -10.8138 -10.8138 -10.4541 -10.4541 -10.4468 -10.4468 -1.0208 -1.0208 -0.9895 -0.9895 -0.7584 -0.7584 -0.7362 -0.7362 -0.1964 -0.1964 -0.1085 -0.1085 1.5092 1.5092 1.5119 1.5119 1.6509 1.6509 1.6659 1.6659 1.8214 1.8214 1.8231 1.8231 3.5768 3.5768 3.5840 3.5840 3.7276 3.7276 3.8698 3.8698 4.5141 4.5141 4.5591 4.5591 4.6887 4.6887 4.7893 4.7893 6.5496 6.5496 6.5873 6.5873 10.3143 10.3143 10.3329 10.3329 11.7059 11.7059 k = 0.2872-0.0000 0.1516 ( 5066 PWs) bands (ev): -10.7933 -10.7933 -10.7866 -10.7866 -10.4575 -10.4575 -10.4499 -10.4499 -0.9971 -0.9971 -0.9753 -0.9753 -0.8346 -0.8346 -0.8045 -0.8045 -0.1510 -0.1510 -0.0650 -0.0650 1.5006 1.5006 1.5025 1.5025 1.6260 1.6260 1.6324 1.6324 1.8133 1.8133 1.8181 1.8181 3.5758 3.5758 3.5834 3.5834 3.7312 3.7312 3.8652 3.8652 4.4964 4.4964 4.5364 4.5364 4.7064 4.7064 4.7940 4.7940 6.5835 6.5835 6.6233 6.6233 10.2958 10.2958 10.3146 10.3146 11.7544 11.7544 k = 0.2979-0.0000 0.1516 ( 5062 PWs) bands (ev): -10.7665 -10.7665 -10.7595 -10.7595 -10.4608 -10.4608 -10.4529 -10.4529 -0.9873 -0.9873 -0.9830 -0.9830 -0.8979 -0.8979 -0.8526 -0.8526 -0.0975 -0.0975 -0.0142 -0.0142 1.4707 1.4707 1.4743 1.4743 1.6003 1.6003 1.6036 1.6036 1.8234 1.8234 1.8288 1.8288 3.5718 3.5718 3.5801 3.5801 3.7317 3.7317 3.8569 3.8569 4.4774 4.4774 4.5129 4.5129 4.7263 4.7263 4.8011 4.8011 6.6209 6.6209 6.6625 6.6625 10.2724 10.2724 10.2910 10.2910 11.8001 11.8001 k = 0.3085-0.0000 0.1516 ( 5062 PWs) bands (ev): -10.7402 -10.7402 -10.7329 -10.7329 -10.4639 -10.4639 -10.4558 -10.4558 -1.0327 -1.0327 -1.0324 -1.0324 -0.9046 -0.9046 -0.8572 -0.8572 -0.0393 -0.0393 0.0410 0.0410 1.4257 1.4257 1.4276 1.4276 1.5745 1.5745 1.5797 1.5797 1.8479 1.8479 1.8524 1.8524 3.5648 3.5648 3.5738 3.5738 3.7291 3.7291 3.8451 3.8451 4.4582 4.4582 4.4902 4.4902 4.7469 4.7469 4.8098 4.8098 6.6614 6.6614 6.7044 6.7044 10.2449 10.2449 10.2630 10.2630 11.8419 11.8419 k = 0.3191-0.0000 0.1516 ( 5060 PWs) bands (ev): -10.7144 -10.7144 -10.7068 -10.7068 -10.4668 -10.4668 -10.4585 -10.4585 -1.1071 -1.1071 -1.1042 -1.1042 -0.8784 -0.8784 -0.8366 -0.8366 0.0218 0.0218 0.0991 0.0991 1.3693 1.3693 1.3702 1.3702 1.5496 1.5496 1.5579 1.5579 1.8818 1.8818 1.8851 1.8851 3.5543 3.5543 3.5642 3.5642 3.7233 3.7233 3.8300 3.8300 4.4399 4.4399 4.4688 4.4688 4.7677 4.7677 4.8193 4.8193 6.7044 6.7044 6.7483 6.7483 10.2145 10.2145 10.2318 10.2318 11.8790 11.8790 k = 0.3298-0.0000 0.1516 ( 5058 PWs) bands (ev): -10.6894 -10.6894 -10.6814 -10.6814 -10.4695 -10.4695 -10.4609 -10.4609 -1.1850 -1.1850 -1.1802 -1.1802 -0.8447 -0.8447 -0.8070 -0.8070 0.0842 0.0842 0.1587 0.1587 1.3043 1.3043 1.3077 1.3077 1.5260 1.5260 1.5370 1.5370 1.9216 1.9216 1.9240 1.9240 3.5402 3.5402 3.5508 3.5508 3.7146 3.7146 3.8118 3.8118 4.4231 4.4231 4.4493 4.4493 4.7883 4.7883 4.8293 4.8293 6.7493 6.7493 6.7937 6.7937 10.1819 10.1819 10.1984 10.1984 11.9103 11.9103 k = 0.3404-0.0000 0.1516 ( 5054 PWs) bands (ev): -10.6652 -10.6652 -10.6568 -10.6568 -10.4720 -10.4720 -10.4631 -10.4631 -1.2614 -1.2614 -1.2556 -1.2556 -0.8074 -0.8074 -0.7727 -0.7727 0.1472 0.1472 0.2189 0.2189 1.2356 1.2356 1.2407 1.2407 1.5037 1.5037 1.5164 1.5164 1.9653 1.9653 1.9671 1.9671 3.5223 3.5223 3.5335 3.5335 3.7032 3.7032 3.7910 3.7910 4.4082 4.4082 4.4317 4.4317 4.8084 4.8084 4.8394 4.8394 6.7956 6.7956 6.8402 6.8402 10.1482 10.1482 10.1637 10.1637 11.9351 11.9351 k = 0.3511-0.0000 0.1516 ( 5056 PWs) bands (ev): -10.6421 -10.6421 -10.6334 -10.6334 -10.4740 -10.4740 -10.4648 -10.4648 -1.3349 -1.3349 -1.3286 -1.3286 -0.7674 -0.7674 -0.7350 -0.7350 0.2096 0.2096 0.2786 0.2786 1.1647 1.1647 1.1710 1.1710 1.4828 1.4828 1.4963 1.4963 2.0117 2.0117 2.0132 2.0132 3.5004 3.5004 3.5118 3.5118 3.6896 3.6896 3.7680 3.7680 4.3954 4.3954 4.4163 4.4163 4.8279 4.8279 4.8495 4.8495 6.8426 6.8426 6.8871 6.8871 10.1142 10.1142 10.1285 10.1285 11.9532 11.9532 k = 0.3617-0.0000 0.1516 ( 5064 PWs) bands (ev): -10.6203 -10.6203 -10.6113 -10.6113 -10.4755 -10.4755 -10.4661 -10.4661 -1.4050 -1.4050 -1.3983 -1.3983 -0.7250 -0.7250 -0.6945 -0.6945 0.2705 0.2705 0.3367 0.3367 1.0933 1.0933 1.1000 1.1000 1.4631 1.4631 1.4769 1.4769 2.0602 2.0602 2.0615 2.0615 3.4745 3.4745 3.4858 3.4858 3.6743 3.6743 3.7431 3.7431 4.3846 4.3846 4.4030 4.4030 4.8467 4.8467 4.8594 4.8594 6.8898 6.8898 6.9339 6.9339 10.0807 10.0807 10.0938 10.0938 11.9645 11.9645 k = 0.3723-0.0000 0.1516 ( 5064 PWs) bands (ev): -10.6002 -10.6002 -10.5909 -10.5909 -10.4763 -10.4763 -10.4667 -10.4667 -1.4710 -1.4710 -1.4641 -1.4641 -0.6802 -0.6802 -0.6513 -0.6513 0.3287 0.3287 0.3917 0.3917 1.0228 1.0228 1.0290 1.0290 1.4447 1.4447 1.4582 1.4582 2.1102 2.1102 2.1115 2.1115 3.4448 3.4448 3.4555 3.4555 3.6575 3.6575 3.7169 3.7169 4.3758 4.3758 4.3917 4.3917 4.8645 4.8645 4.8690 4.8690 6.9366 6.9366 6.9800 6.9800 10.0481 10.0481 10.0601 10.0601 11.9695 11.9695 k = 0.3830-0.0000 0.1516 ( 5074 PWs) bands (ev): -10.5819 -10.5819 -10.5724 -10.5724 -10.4762 -10.4762 -10.4665 -10.4665 -1.5327 -1.5327 -1.5257 -1.5257 -0.6331 -0.6331 -0.6057 -0.6057 0.3825 0.3825 0.4414 0.4414 0.9555 0.9555 0.9599 0.9599 1.4276 1.4276 1.4403 1.4403 2.1614 2.1614 2.1628 2.1628 3.4115 3.4115 3.4213 3.4213 3.6398 3.6398 3.6898 3.6898 4.3688 4.3688 4.3822 4.3822 4.8782 4.8782 4.8814 4.8814 6.9823 6.9823 7.0248 7.0248 10.0171 10.0171 10.0280 10.0280 11.9689 11.9689 k = 0.3936-0.0000 0.1516 ( 5082 PWs) bands (ev): -10.5658 -10.5658 -10.5565 -10.5565 -10.4747 -10.4747 -10.4652 -10.4652 -1.5899 -1.5899 -1.5827 -1.5827 -0.5838 -0.5838 -0.5577 -0.5577 0.4290 0.4290 0.4818 0.4818 0.8951 0.8951 0.8951 0.8951 1.4119 1.4119 1.4233 1.4233 2.2134 2.2134 2.2150 2.2150 3.3748 3.3748 3.3834 3.3834 3.6216 3.6216 3.6623 3.6623 4.3634 4.3634 4.3744 4.3744 4.8869 4.8869 4.8971 4.8971 7.0264 7.0264 7.0680 7.0680 9.9881 9.9881 9.9979 9.9979 11.9637 11.9637 k = 0.4043-0.0000 0.1516 ( 5074 PWs) bands (ev): -10.5524 -10.5524 -10.5437 -10.5437 -10.4715 -10.4715 -10.4626 -10.4626 -1.6422 -1.6422 -1.6350 -1.6350 -0.5322 -0.5322 -0.5073 -0.5073 0.4634 0.4634 0.5062 0.5062 0.8394 0.8394 0.8481 0.8481 1.3975 1.3975 1.4073 1.4073 2.2660 2.2660 2.2678 2.2678 3.3352 3.3352 3.3425 3.3425 3.6031 3.6031 3.6350 3.6350 4.3592 4.3592 4.3681 4.3681 4.8951 4.8951 4.9116 4.9116 7.0684 7.0684 7.1089 7.1089 9.9613 9.9613 9.9702 9.9702 11.9549 11.9549 k = 0.4149-0.0000 0.1516 ( 5072 PWs) bands (ev): -10.5417 -10.5417 -10.5341 -10.5341 -10.4663 -10.4663 -10.4587 -10.4587 -1.6896 -1.6896 -1.6822 -1.6822 -0.4785 -0.4785 -0.4546 -0.4546 0.4781 0.4781 0.5057 0.5057 0.8001 0.8001 0.8232 0.8232 1.3845 1.3845 1.3924 1.3924 2.3187 2.3187 2.3209 2.3209 3.2933 3.2933 3.2991 3.2991 3.5847 3.5847 3.6084 3.6084 4.3561 4.3561 4.3631 4.3631 4.9026 4.9026 4.9249 4.9249 7.1076 7.1076 7.1469 7.1469 9.9371 9.9371 9.9451 9.9451 11.9436 11.9436 k = 0.4255-0.0000 0.1516 ( 5060 PWs) bands (ev): -10.5337 -10.5337 -10.5278 -10.5278 -10.4594 -10.4594 -10.4534 -10.4534 -1.7317 -1.7317 -1.7243 -1.7243 -0.4227 -0.4227 -0.3997 -0.3997 0.4656 0.4656 0.4770 0.4770 0.7842 0.7842 0.8231 0.8231 1.3730 1.3730 1.3784 1.3784 2.3713 2.3713 2.3740 2.3740 3.2496 3.2496 3.2540 3.2540 3.5669 3.5669 3.5829 3.5829 4.3539 4.3539 4.3592 4.3592 4.9094 4.9094 4.9367 4.9367 7.1436 7.1436 7.1818 7.1818 9.9157 9.9157 9.9228 9.9228 11.9309 11.9309 k = 0.4362-0.0000 0.1516 ( 5058 PWs) bands (ev): -10.5282 -10.5282 -10.5238 -10.5238 -10.4517 -10.4517 -10.4474 -10.4474 -1.7686 -1.7686 -1.7611 -1.7611 -0.3649 -0.3649 -0.3427 -0.3427 0.4276 0.4276 0.4277 0.4277 0.7896 0.7896 0.8400 0.8400 1.3628 1.3628 1.3657 1.3657 2.4232 2.4232 2.4264 2.4264 3.2049 3.2049 3.2078 3.2078 3.5501 3.5501 3.5592 3.5592 4.3523 4.3523 4.3562 4.3562 4.9155 4.9155 4.9471 4.9471 7.1759 7.1759 7.2130 7.2130 9.8970 9.8970 9.9035 9.9035 11.9178 11.9178 k = 0.4468-0.0000 0.1516 ( 5056 PWs) bands (ev): -10.5244 -10.5244 -10.5215 -10.5215 -10.4439 -10.4439 -10.4411 -10.4411 -1.8000 -1.8000 -1.7925 -1.7925 -0.3050 -0.3050 -0.2837 -0.2837 0.3667 0.3667 0.3734 0.3734 0.8067 0.8067 0.8641 0.8641 1.3541 1.3541 1.3543 1.3543 2.4737 2.4737 2.4775 2.4775 3.1601 3.1601 3.1617 3.1617 3.5349 3.5349 3.5379 3.5379 4.3512 4.3512 4.3540 4.3540 4.9208 4.9208 4.9561 4.9561 7.2040 7.2040 7.2401 7.2401 9.8812 9.8812 9.8872 9.8872 11.9052 11.9052 k = 0.4574-0.0000 0.1516 ( 5070 PWs) bands (ev): -10.5220 -10.5220 -10.5203 -10.5203 -10.4369 -10.4369 -10.4353 -10.4353 -1.8258 -1.8258 -1.8183 -1.8183 -0.2434 -0.2434 -0.2227 -0.2227 0.3004 0.3004 0.3108 0.3108 0.8272 0.8272 0.8891 0.8891 1.3442 1.3442 1.3470 1.3470 2.5217 2.5217 2.5262 2.5262 3.1165 3.1165 3.1168 3.1168 3.5195 3.5195 3.5215 3.5215 4.3505 4.3505 4.3524 4.3524 4.9252 4.9252 4.9635 4.9635 7.2275 7.2275 7.2627 7.2627 9.8683 9.8683 9.8738 9.8738 11.8938 11.8938 k = 0.4681-0.0000 0.1516 ( 5066 PWs) bands (ev): -10.5205 -10.5205 -10.5196 -10.5196 -10.4311 -10.4311 -10.4303 -10.4303 -1.8460 -1.8460 -1.8384 -1.8384 -0.1801 -0.1801 -0.1600 -0.1600 0.2317 0.2317 0.2444 0.2444 0.8463 0.8463 0.9113 0.9113 1.3359 1.3359 1.3414 1.3414 2.5653 2.5653 2.5707 2.5707 3.0750 3.0750 3.0761 3.0761 3.5045 3.5045 3.5106 3.5106 4.3501 4.3501 4.3512 4.3512 4.9286 4.9286 4.9692 4.9692 7.2462 7.2462 7.2807 7.2807 9.8583 9.8583 9.8635 9.8635 11.8843 11.8843 k = 0.4787-0.0000 0.1516 ( 5068 PWs) bands (ev): -10.5196 -10.5196 -10.5192 -10.5192 -10.4268 -10.4268 -10.4265 -10.4265 -1.8604 -1.8604 -1.8529 -1.8529 -0.1154 -0.1154 -0.0958 -0.0958 0.1625 0.1625 0.1764 0.1764 0.8613 0.8613 0.9285 0.9285 1.3296 1.3296 1.3373 1.3373 2.6018 2.6018 2.6081 2.6081 3.0394 3.0394 3.0419 3.0419 3.4935 3.4935 3.5025 3.5025 4.3498 4.3498 4.3505 4.3505 4.9312 4.9312 4.9734 4.9734 7.2597 7.2597 7.2936 7.2936 9.8512 9.8512 9.8561 9.8561 11.8771 11.8771 k = 0.4894-0.0000 0.1516 ( 5064 PWs) bands (ev): -10.5192 -10.5192 -10.5191 -10.5191 -10.4242 -10.4242 -10.4241 -10.4241 -1.8691 -1.8691 -1.8615 -1.8615 -0.0504 -0.0504 -0.0309 -0.0309 0.0945 0.0945 0.1089 0.1089 0.8708 0.8708 0.9393 0.9393 1.3256 1.3256 1.3349 1.3349 2.6269 2.6269 2.6341 2.6341 3.0145 3.0145 3.0180 3.0180 3.4867 3.4867 3.4975 3.4975 4.3496 4.3496 4.3501 4.3501 4.9327 4.9327 4.9759 4.9759 7.2679 7.2679 7.3015 7.3015 9.8469 9.8469 9.8517 9.8517 11.8726 11.8726 k = 0.5000-0.0000 0.1516 ( 5068 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8720 -1.8720 -1.8644 -1.8644 -0.0016 -0.0016 0.0214 0.0214 0.0447 0.0447 0.0557 0.0557 0.8740 0.8740 0.9430 0.9430 1.3243 1.3243 1.3341 1.3341 2.6361 2.6361 2.6436 2.6436 3.0054 3.0054 3.0093 3.0093 3.4844 3.4844 3.4958 3.4958 4.3496 4.3496 4.3500 4.3500 4.9332 4.9332 4.9767 4.9767 7.2707 7.2707 7.3041 7.3041 9.8455 9.8455 9.8503 9.8503 11.8711 11.8711 k = 0.5000-0.0000 0.1516 ( 5068 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8720 -1.8720 -1.8644 -1.8644 -0.0016 -0.0016 0.0214 0.0214 0.0447 0.0447 0.0557 0.0557 0.8740 0.8740 0.9430 0.9430 1.3243 1.3243 1.3341 1.3341 2.6361 2.6361 2.6436 2.6436 3.0054 3.0054 3.0093 3.0093 3.4844 3.4844 3.4958 3.4958 4.3496 4.3496 4.3500 4.3500 4.9332 4.9332 4.9767 4.9767 7.2707 7.2707 7.3041 7.3041 9.8455 9.8455 9.8503 9.8503 11.8711 11.8711 k = 0.5000 0.0106 0.1516 ( 5064 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4232 -10.4232 -10.4230 -10.4230 -1.8718 -1.8718 -1.8642 -1.8642 -0.0016 -0.0016 0.0211 0.0211 0.0448 0.0448 0.0562 0.0562 0.8737 0.8737 0.9427 0.9427 1.3226 1.3226 1.3323 1.3323 2.6358 2.6358 2.6434 2.6434 3.0060 3.0060 3.0100 3.0100 3.4844 3.4844 3.4958 3.4958 4.3500 4.3500 4.3504 4.3504 4.9334 4.9334 4.9770 4.9770 7.2706 7.2706 7.3040 7.3040 9.8451 9.8451 9.8498 9.8498 11.8722 11.8722 k = 0.5000 0.0212 0.1516 ( 5064 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4225 -10.4225 -10.4223 -10.4223 -1.8709 -1.8709 -1.8633 -1.8633 -0.0015 -0.0015 0.0202 0.0202 0.0452 0.0452 0.0577 0.0577 0.8728 0.8728 0.9417 0.9417 1.3174 1.3174 1.3268 1.3268 2.6350 2.6350 2.6428 2.6428 3.0077 3.0077 3.0120 3.0120 3.4843 3.4843 3.4957 3.4957 4.3513 4.3513 4.3517 4.3517 4.9341 4.9341 4.9777 4.9777 7.2705 7.2705 7.3038 7.3038 9.8437 9.8437 9.8483 9.8483 11.8753 11.8753 k = 0.5000 0.0318 0.1516 ( 5068 PWs) bands (ev): -10.5189 -10.5189 -10.5189 -10.5189 -10.4213 -10.4213 -10.4211 -10.4211 -1.8695 -1.8695 -1.8619 -1.8619 -0.0014 -0.0014 0.0188 0.0188 0.0459 0.0459 0.0600 0.0600 0.8714 0.8714 0.9399 0.9399 1.3088 1.3088 1.3179 1.3179 2.6337 2.6337 2.6417 2.6417 3.0104 3.0104 3.0152 3.0152 3.4841 3.4841 3.4956 3.4956 4.3535 4.3535 4.3539 4.3539 4.9352 4.9352 4.9788 4.9788 7.2702 7.2702 7.3033 7.3033 9.8415 9.8415 9.8458 9.8458 11.8800 11.8800 k = 0.5000 0.0423 0.1516 ( 5064 PWs) bands (ev): -10.5188 -10.5188 -10.5188 -10.5188 -10.4197 -10.4197 -10.4195 -10.4195 -1.8675 -1.8675 -1.8599 -1.8599 -0.0012 -0.0012 0.0171 0.0171 0.0469 0.0469 0.0629 0.0629 0.8693 0.8693 0.9375 0.9375 1.2971 1.2971 1.3056 1.3056 2.6318 2.6318 2.6401 2.6401 3.0143 3.0143 3.0197 3.0197 3.4838 3.4838 3.4954 3.4954 4.3564 4.3564 4.3571 4.3571 4.9367 4.9367 4.9805 4.9805 7.2698 7.2698 7.3026 7.3026 9.8385 9.8385 9.8424 9.8424 11.8857 11.8857 k = 0.5000 0.0529 0.1516 ( 5064 PWs) bands (ev): -10.5187 -10.5187 -10.5186 -10.5186 -10.4176 -10.4176 -10.4175 -10.4175 -1.8650 -1.8650 -1.8574 -1.8574 -0.0010 -0.0010 0.0152 0.0152 0.0482 0.0482 0.0665 0.0665 0.8667 0.8667 0.9343 0.9343 1.2822 1.2822 1.2900 1.2900 2.6293 2.6293 2.6380 2.6380 3.0192 3.0192 3.0254 3.0254 3.4835 3.4835 3.4952 3.4952 4.3602 4.3602 4.3614 4.3614 4.9388 4.9388 4.9826 4.9826 7.2693 7.2693 7.3018 7.3018 9.8346 9.8346 9.8382 9.8382 11.8912 11.8912 k = 0.5000 0.0635 0.1516 ( 5068 PWs) bands (ev): -10.5185 -10.5185 -10.5185 -10.5185 -10.4152 -10.4152 -10.4150 -10.4150 -1.8619 -1.8619 -1.8544 -1.8544 -0.0009 -0.0009 0.0131 0.0131 0.0498 0.0498 0.0705 0.0705 0.8635 0.8635 0.9304 0.9304 1.2645 1.2645 1.2714 1.2714 2.6261 2.6261 2.6353 2.6353 3.0250 3.0250 3.0322 3.0322 3.4831 3.4831 3.4950 3.4950 4.3649 4.3649 4.3666 4.3666 4.9412 4.9412 4.9852 4.9852 7.2688 7.2688 7.3008 7.3008 9.8299 9.8299 9.8330 9.8330 11.8953 11.8953 k = 0.5000 0.0741 0.1516 ( 5052 PWs) bands (ev): -10.5182 -10.5182 -10.5182 -10.5182 -10.4124 -10.4124 -10.4122 -10.4122 -1.8583 -1.8583 -1.8509 -1.8509 -0.0008 -0.0008 0.0110 0.0110 0.0518 0.0518 0.0749 0.0749 0.8596 0.8596 0.9257 0.9257 1.2443 1.2443 1.2501 1.2501 2.6222 2.6222 2.6319 2.6319 3.0317 3.0317 3.0400 3.0400 3.4828 3.4828 3.4949 3.4949 4.3705 4.3705 4.3729 4.3729 4.9441 4.9441 4.9882 4.9882 7.2681 7.2681 7.2996 7.2996 9.8246 9.8246 9.8271 9.8271 11.8963 11.8963 k = 0.5000 0.0847 0.1516 ( 5060 PWs) bands (ev): -10.5179 -10.5179 -10.5179 -10.5179 -10.4092 -10.4092 -10.4090 -10.4090 -1.8542 -1.8542 -1.8469 -1.8469 -0.0008 -0.0008 0.0089 0.0089 0.0541 0.0541 0.0797 0.0797 0.8551 0.8551 0.9202 0.9202 1.2218 1.2218 1.2263 1.2263 2.6175 2.6175 2.6278 2.6278 3.0392 3.0392 3.0488 3.0488 3.4824 3.4824 3.4947 3.4947 4.3771 4.3771 4.3804 4.3804 4.9474 4.9474 4.9917 4.9917 7.2673 7.2673 7.2982 7.2982 9.8185 9.8185 9.8204 9.8204 11.8920 11.8920 k = 0.5000 0.0953 0.1516 ( 5072 PWs) bands (ev): -10.5175 -10.5175 -10.5175 -10.5175 -10.4057 -10.4057 -10.4055 -10.4055 -1.8497 -1.8497 -1.8424 -1.8424 -0.0009 -0.0009 0.0067 0.0067 0.0568 0.0568 0.0847 0.0847 0.8500 0.8500 0.9137 0.9137 1.1973 1.1973 1.2004 1.2004 2.6120 2.6120 2.6229 2.6229 3.0474 3.0474 3.0583 3.0583 3.4820 3.4820 3.4946 3.4946 4.3848 4.3848 4.3890 4.3890 4.9512 4.9512 4.9957 4.9957 7.2664 7.2664 7.2966 7.2966 9.8119 9.8119 9.8130 9.8130 11.8804 11.8804 k = 0.5000 0.1058 0.1516 ( 5072 PWs) bands (ev): -10.5170 -10.5170 -10.5170 -10.5170 -10.4018 -10.4018 -10.4016 -10.4016 -1.8447 -1.8447 -1.8375 -1.8375 -0.0012 -0.0012 0.0045 0.0045 0.0600 0.0600 0.0901 0.0901 0.8441 0.8441 0.9063 0.9063 1.1712 1.1712 1.1725 1.1725 2.6056 2.6056 2.6172 2.6172 3.0562 3.0562 3.0686 3.0686 3.4817 3.4817 3.4947 3.4947 4.3936 4.3936 4.3988 4.3988 4.9554 4.9554 5.0001 5.0001 7.2654 7.2654 7.2949 7.2949 9.8047 9.8047 9.8050 9.8050 11.8593 11.8593 k = 0.5000 0.1164 0.1516 ( 5068 PWs) bands (ev): -10.5164 -10.5164 -10.5164 -10.5164 -10.3977 -10.3977 -10.3975 -10.3975 -1.8393 -1.8393 -1.8322 -1.8322 -0.0016 -0.0016 0.0023 0.0023 0.0635 0.0635 0.0957 0.0957 0.8376 0.8376 0.8977 0.8977 1.1432 1.1432 1.1440 1.1440 2.5983 2.5983 2.6106 2.6106 3.0655 3.0655 3.0794 3.0794 3.4815 3.4815 3.4948 3.4948 4.4036 4.4036 4.4098 4.4098 4.9600 4.9600 5.0049 5.0049 7.2643 7.2643 7.2930 7.2930 9.7965 9.7965 9.7971 9.7971 11.8270 11.8270 k = 0.5000 0.1270 0.1516 ( 5076 PWs) bands (ev): -10.5158 -10.5158 -10.5157 -10.5157 -10.3934 -10.3934 -10.3932 -10.3932 -1.8336 -1.8336 -1.8265 -1.8265 -0.0021 -0.0021 0.0002 0.0002 0.0674 0.0674 0.1016 0.1016 0.8302 0.8302 0.8879 0.8879 1.1127 1.1127 1.1160 1.1160 2.5901 2.5901 2.6031 2.6031 3.0752 3.0752 3.0906 3.0906 3.4813 3.4813 3.4951 3.4951 4.4147 4.4147 4.4223 4.4223 4.9650 4.9650 5.0102 5.0102 7.2631 7.2631 7.2909 7.2909 9.7875 9.7875 9.7890 9.7890 11.7824 11.7824 k = 0.5000 0.1376 0.1516 ( 5084 PWs) bands (ev): -10.5150 -10.5150 -10.5150 -10.5150 -10.3888 -10.3888 -10.3886 -10.3886 -1.8274 -1.8274 -1.8205 -1.8205 -0.0029 -0.0029 -0.0020 -0.0020 0.0717 0.0717 0.1076 0.1076 0.8220 0.8220 0.8767 0.8767 1.0815 1.0815 1.0878 1.0878 2.5811 2.5811 2.5947 2.5947 3.0852 3.0852 3.1021 3.1021 3.4813 3.4813 3.4955 3.4955 4.4272 4.4272 4.4360 4.4360 4.9704 4.9704 5.0159 5.0159 7.2618 7.2618 7.2886 7.2886 9.7780 9.7780 9.7805 9.7805 11.7255 11.7255 k = 0.5000 0.1482 0.1516 ( 5084 PWs) bands (ev): -10.5141 -10.5141 -10.5141 -10.5141 -10.3841 -10.3841 -10.3839 -10.3839 -1.8210 -1.8210 -1.8142 -1.8142 -0.0042 -0.0042 -0.0038 -0.0038 0.0763 0.0763 0.1139 0.1139 0.8129 0.8129 0.8638 0.8638 1.0499 1.0499 1.0599 1.0599 2.5713 2.5713 2.5854 2.5854 3.0954 3.0954 3.1137 3.1137 3.4815 3.4815 3.4961 3.4961 4.4409 4.4409 4.4512 4.4512 4.9762 4.9762 5.0220 5.0220 7.2604 7.2604 7.2861 7.2861 9.7682 9.7682 9.7717 9.7717 11.6570 11.6570 k = 0.5000 0.1588 0.1516 ( 5084 PWs) bands (ev): -10.5132 -10.5132 -10.5132 -10.5132 -10.3792 -10.3792 -10.3790 -10.3790 -1.8143 -1.8143 -1.8076 -1.8076 -0.0065 -0.0065 -0.0049 -0.0049 0.0813 0.0813 0.1203 0.1203 0.8026 0.8026 0.8489 0.8489 1.0184 1.0184 1.0328 1.0328 2.5607 2.5607 2.5754 2.5754 3.1056 3.1056 3.1254 3.1254 3.4818 3.4818 3.4970 3.4970 4.4560 4.4560 4.4679 4.4679 4.9823 4.9823 5.0285 5.0285 7.2589 7.2589 7.2834 7.2834 9.7581 9.7581 9.7627 9.7627 11.5785 11.5785 k = 0.5000 0.1693 0.1516 ( 5084 PWs) bands (ev): -10.5122 -10.5122 -10.5121 -10.5121 -10.3742 -10.3742 -10.3740 -10.3740 -1.8074 -1.8074 -1.8008 -1.8008 -0.0087 -0.0087 -0.0062 -0.0062 0.0866 0.0866 0.1268 0.1268 0.7910 0.7910 0.8319 0.8319 0.9875 0.9875 1.0071 1.0071 2.5493 2.5493 2.5645 2.5645 3.1157 3.1157 3.1368 3.1368 3.4824 3.4824 3.4980 3.4980 4.4725 4.4725 4.4860 4.4860 4.9888 4.9888 5.0355 5.0355 7.2573 7.2573 7.2805 7.2805 9.7478 9.7478 9.7535 9.7535 11.4916 11.4916 k = 0.5000 0.1799 0.1516 ( 5092 PWs) bands (ev): -10.5110 -10.5110 -10.5110 -10.5110 -10.3690 -10.3690 -10.3688 -10.3688 -1.8003 -1.8003 -1.7939 -1.7939 -0.0110 -0.0110 -0.0077 -0.0077 0.0921 0.0921 0.1334 0.1334 0.7779 0.7779 0.8127 0.8127 0.9577 0.9577 0.9830 0.9830 2.5374 2.5374 2.5530 2.5530 3.1255 3.1255 3.1480 3.1480 3.4832 3.4832 3.4993 3.4993 4.4903 4.4903 4.5056 4.5056 4.9957 4.9957 5.0428 5.0428 7.2556 7.2556 7.2775 7.2775 9.7372 9.7372 9.7441 9.7441 11.3981 11.3981 k = 0.5000 0.1905 0.1516 ( 5092 PWs) bands (ev): -10.5099 -10.5099 -10.5098 -10.5098 -10.3638 -10.3638 -10.3636 -10.3636 -1.7930 -1.7930 -1.7868 -1.7868 -0.0134 -0.0134 -0.0094 -0.0094 0.0979 0.0979 0.1400 0.1400 0.7631 0.7631 0.7913 0.7913 0.9294 0.9294 0.9609 0.9609 2.5249 2.5249 2.5409 2.5409 3.1351 3.1351 3.1587 3.1587 3.4842 3.4842 3.5008 3.5008 4.5094 4.5094 4.5266 4.5266 5.0029 5.0029 5.0505 5.0505 7.2537 7.2537 7.2742 7.2742 9.7265 9.7265 9.7345 9.7345 11.2997 11.2997 k = 0.5000 0.2011 0.1516 ( 5088 PWs) bands (ev): -10.5086 -10.5086 -10.5086 -10.5086 -10.3586 -10.3586 -10.3584 -10.3584 -1.7857 -1.7857 -1.7796 -1.7796 -0.0158 -0.0158 -0.0113 -0.0113 0.1038 0.1038 0.1466 0.1466 0.7464 0.7464 0.7679 0.7679 0.9032 0.9032 0.9407 0.9407 2.5120 2.5120 2.5283 2.5283 3.1442 3.1442 3.1688 3.1688 3.4855 3.4855 3.5026 3.5026 4.5299 4.5299 4.5489 4.5489 5.0105 5.0105 5.0586 5.0586 7.2518 7.2518 7.2708 7.2708 9.7156 9.7156 9.7249 9.7249 11.1980 11.1980 k = 0.5000 0.2117 0.1516 ( 5092 PWs) bands (ev): -10.5073 -10.5073 -10.5072 -10.5072 -10.3534 -10.3534 -10.3532 -10.3532 -1.7782 -1.7782 -1.7723 -1.7723 -0.0183 -0.0183 -0.0134 -0.0134 0.1099 0.1099 0.1531 0.1531 0.7278 0.7278 0.7431 0.7431 0.8794 0.8794 0.9224 0.9224 2.4988 2.4988 2.5153 2.5153 3.1528 3.1528 3.1783 3.1783 3.4871 3.4871 3.5045 3.5045 4.5515 4.5515 4.5726 4.5726 5.0186 5.0186 5.0672 5.0672 7.2497 7.2497 7.2672 7.2672 9.7045 9.7045 9.7152 9.7152 11.0942 11.0942 k = 0.5000 0.2223 0.1516 ( 5100 PWs) bands (ev): -10.5059 -10.5059 -10.5059 -10.5059 -10.3481 -10.3481 -10.3479 -10.3479 -1.7708 -1.7708 -1.7651 -1.7651 -0.0209 -0.0209 -0.0157 -0.0157 0.1161 0.1161 0.1594 0.1594 0.7074 0.7074 0.7174 0.7174 0.8580 0.8580 0.9055 0.9055 2.4854 2.4854 2.5019 2.5019 3.1609 3.1609 3.1870 3.1870 3.4890 3.4890 3.5066 3.5066 4.5742 4.5742 4.5973 4.5973 5.0271 5.0271 5.0762 5.0762 7.2475 7.2475 7.2633 7.2633 9.6933 9.6933 9.7053 9.7053 10.9896 10.9896 k = 0.5000 0.2328 0.1516 ( 5096 PWs) bands (ev): -10.5045 -10.5045 -10.5045 -10.5045 -10.3429 -10.3429 -10.3428 -10.3428 -1.7634 -1.7634 -1.7578 -1.7578 -0.0236 -0.0236 -0.0182 -0.0182 0.1222 0.1222 0.1655 0.1655 0.6857 0.6857 0.6913 0.6913 0.8390 0.8390 0.8898 0.8898 2.4719 2.4719 2.4885 2.4885 3.1683 3.1683 3.1950 3.1950 3.4910 3.4910 3.5088 3.5088 4.5978 4.5978 4.6230 4.6230 5.0362 5.0362 5.0858 5.0858 7.2451 7.2451 7.2593 7.2593 9.6819 9.6819 9.6954 9.6954 10.8852 10.8852 k = 0.5000 0.2434 0.1516 ( 5084 PWs) bands (ev): -10.5031 -10.5031 -10.5030 -10.5030 -10.3378 -10.3378 -10.3376 -10.3376 -1.7560 -1.7560 -1.7507 -1.7507 -0.0265 -0.0265 -0.0209 -0.0209 0.1284 0.1284 0.1714 0.1714 0.6633 0.6633 0.6653 0.6653 0.8221 0.8221 0.8750 0.8750 2.4584 2.4584 2.4749 2.4749 3.1751 3.1751 3.2020 3.2020 3.4934 3.4934 3.5112 3.5112 4.6222 4.6222 4.6493 4.6493 5.0460 5.0460 5.0959 5.0959 7.2426 7.2426 7.2551 7.2551 9.6703 9.6703 9.6853 9.6853 10.7818 10.7818 k = 0.5000 0.2540 0.1516 ( 5084 PWs) bands (ev): -10.5017 -10.5017 -10.5016 -10.5016 -10.3328 -10.3328 -10.3326 -10.3326 -1.7488 -1.7488 -1.7437 -1.7437 -0.0294 -0.0294 -0.0238 -0.0238 0.1343 0.1343 0.1768 0.1768 0.6400 0.6400 0.6406 0.6406 0.8068 0.8068 0.8609 0.8609 2.4451 2.4451 2.4614 2.4614 3.1813 3.1813 3.2082 3.2082 3.4959 3.4959 3.5136 3.5136 4.6470 4.6470 4.6760 4.6760 5.0565 5.0565 5.1067 5.1067 7.2400 7.2400 7.2508 7.2508 9.6585 9.6585 9.6751 9.6751 10.6804 10.6804 k = 0.5000 0.2646 0.1516 ( 5088 PWs) bands (ev): -10.5002 -10.5002 -10.5002 -10.5002 -10.3279 -10.3279 -10.3277 -10.3277 -1.7417 -1.7417 -1.7368 -1.7368 -0.0324 -0.0324 -0.0270 -0.0270 0.1401 0.1401 0.1817 0.1817 0.6156 0.6156 0.6184 0.6184 0.7929 0.7929 0.8474 0.8474 2.4320 2.4320 2.4481 2.4481 3.1869 3.1869 3.2136 3.2136 3.4985 3.4985 3.5160 3.5160 4.6721 4.6721 4.7027 4.7027 5.0680 5.0680 5.1182 5.1182 7.2372 7.2372 7.2462 7.2462 9.6462 9.6462 9.6645 9.6645 10.5816 10.5816 k = 0.5000 0.2752 0.1516 ( 5088 PWs) bands (ev): -10.4988 -10.4988 -10.4987 -10.4987 -10.3232 -10.3232 -10.3230 -10.3230 -1.7348 -1.7348 -1.7302 -1.7302 -0.0356 -0.0356 -0.0303 -0.0303 0.1457 0.1457 0.1860 0.1860 0.5926 0.5926 0.5971 0.5971 0.7802 0.7802 0.8344 0.8344 2.4193 2.4193 2.4350 2.4350 3.1918 3.1918 3.2181 3.2181 3.5013 3.5013 3.5184 3.5184 4.6970 4.6970 4.7290 4.7290 5.0806 5.0806 5.1304 5.1304 7.2342 7.2342 7.2416 7.2416 9.6335 9.6335 9.6536 9.6536 10.4864 10.4864 k = 0.5000 0.2858 0.1516 ( 5088 PWs) bands (ev): -10.4974 -10.4974 -10.4973 -10.4973 -10.3186 -10.3186 -10.3185 -10.3185 -1.7281 -1.7281 -1.7238 -1.7238 -0.0389 -0.0389 -0.0338 -0.0338 0.1509 0.1509 0.1897 0.1897 0.5712 0.5712 0.5770 0.5770 0.7684 0.7684 0.8217 0.8217 2.4070 2.4070 2.4223 2.4223 3.1962 3.1962 3.2218 3.2218 3.5042 3.5042 3.5207 3.5207 4.7215 4.7215 4.7544 4.7544 5.0944 5.0944 5.1435 5.1435 7.2311 7.2311 7.2368 7.2368 9.6201 9.6201 9.6420 9.6420 10.3955 10.3955 k = 0.5000 0.2963 0.1516 ( 5092 PWs) bands (ev): -10.4960 -10.4960 -10.4960 -10.4960 -10.3142 -10.3142 -10.3141 -10.3141 -1.7217 -1.7217 -1.7176 -1.7176 -0.0422 -0.0422 -0.0375 -0.0375 0.1556 0.1556 0.1927 0.1927 0.5516 0.5516 0.5586 0.5586 0.7575 0.7575 0.8094 0.8094 2.3953 2.3953 2.4100 2.4100 3.2001 3.2001 3.2248 3.2248 3.5071 3.5071 3.5229 3.5229 4.7452 4.7452 4.7785 4.7785 5.1095 5.1095 5.1574 5.1574 7.2279 7.2279 7.2319 7.2319 9.6059 9.6059 9.6297 9.6297 10.3096 10.3096 k = 0.5000 0.3069 0.1516 ( 5100 PWs) bands (ev): -10.4947 -10.4947 -10.4947 -10.4947 -10.3101 -10.3101 -10.3100 -10.3100 -1.7156 -1.7156 -1.7118 -1.7118 -0.0457 -0.0457 -0.0413 -0.0413 0.1600 0.1600 0.1949 0.1949 0.5339 0.5339 0.5420 0.5420 0.7473 0.7473 0.7975 0.7975 2.3842 2.3842 2.3982 2.3982 3.2035 3.2035 3.2271 3.2271 3.5100 3.5100 3.5250 3.5250 4.7679 4.7679 4.8010 4.8010 5.1261 5.1261 5.1721 5.1721 7.2245 7.2245 7.2270 7.2270 9.5906 9.5906 9.6162 9.6162 10.2295 10.2295 k = 0.5000 0.3175 0.1516 ( 5100 PWs) bands (ev): -10.4934 -10.4934 -10.4934 -10.4934 -10.3062 -10.3062 -10.3061 -10.3061 -1.7099 -1.7099 -1.7064 -1.7064 -0.0492 -0.0492 -0.0451 -0.0451 0.1638 0.1638 0.1963 0.1963 0.5183 0.5183 0.5273 0.5273 0.7379 0.7379 0.7859 0.7859 2.3738 2.3738 2.3871 2.3871 3.2064 3.2064 3.2288 3.2288 3.5128 3.5128 3.5269 3.5269 4.7891 4.7891 4.8213 4.8213 5.1440 5.1440 5.1876 5.1876 7.2209 7.2209 7.2221 7.2221 9.5741 9.5741 9.6014 9.6014 10.1559 10.1559 k = 0.5000 0.3281 0.1516 ( 5092 PWs) bands (ev): -10.4922 -10.4922 -10.4922 -10.4922 -10.3026 -10.3026 -10.3024 -10.3024 -1.7045 -1.7045 -1.7013 -1.7013 -0.0527 -0.0527 -0.0490 -0.0490 0.1671 0.1671 0.1969 0.1969 0.5047 0.5047 0.5145 0.5145 0.7294 0.7294 0.7748 0.7748 2.3641 2.3641 2.3766 2.3766 3.2090 3.2090 3.2299 3.2299 3.5155 3.5155 3.5287 3.5287 4.8088 4.8088 4.8395 4.8395 5.1630 5.1630 5.2036 5.2036 7.2172 7.2172 7.2174 7.2174 9.5561 9.5561 9.5848 9.5848 10.0896 10.0896 k = 0.5000 0.3387 0.1516 ( 5096 PWs) bands (ev): -10.4911 -10.4911 -10.4911 -10.4911 -10.2992 -10.2992 -10.2991 -10.2991 -1.6995 -1.6995 -1.6966 -1.6966 -0.0562 -0.0562 -0.0529 -0.0529 0.1699 0.1699 0.1968 0.1968 0.4933 0.4933 0.5036 0.5036 0.7216 0.7216 0.7641 0.7641 2.3553 2.3553 2.3668 2.3668 3.2114 3.2114 3.2306 3.2306 3.5181 3.5181 3.5302 3.5302 4.8266 4.8266 4.8552 4.8552 5.1829 5.1829 5.2200 5.2200 7.2126 7.2126 7.2137 7.2137 9.5366 9.5366 9.5661 9.5661 10.0310 10.0310 k = 0.5000 0.3493 0.1516 ( 5104 PWs) bands (ev): -10.4901 -10.4901 -10.4900 -10.4900 -10.2962 -10.2962 -10.2961 -10.2961 -1.6950 -1.6950 -1.6924 -1.6924 -0.0595 -0.0595 -0.0567 -0.0567 0.1722 0.1722 0.1961 0.1961 0.4839 0.4839 0.4945 0.4945 0.7148 0.7148 0.7540 0.7540 2.3473 2.3473 2.3578 2.3578 3.2134 3.2134 3.2309 3.2309 3.5206 3.5206 3.5315 3.5315 4.8426 4.8426 4.8686 4.8686 5.2031 5.2031 5.2362 5.2362 7.2081 7.2081 7.2100 7.2100 9.5159 9.5159 9.5454 9.5454 9.9805 9.9805 k = 0.5000 0.3599 0.1516 ( 5104 PWs) bands (ev): -10.4892 -10.4892 -10.4891 -10.4891 -10.2934 -10.2934 -10.2933 -10.2933 -1.6909 -1.6909 -1.6886 -1.6886 -0.0627 -0.0627 -0.0603 -0.0603 0.1742 0.1742 0.1949 0.1949 0.4764 0.4764 0.4869 0.4869 0.7090 0.7090 0.7444 0.7444 2.3403 2.3403 2.3497 2.3497 3.2153 3.2153 3.2309 3.2309 3.5229 3.5229 3.5326 3.5326 4.8566 4.8566 4.8797 4.8797 5.2231 5.2231 5.2520 5.2520 7.2039 7.2039 7.2063 7.2063 9.4945 9.4945 9.5228 9.5228 9.9376 9.9376 k = 0.5000 0.3704 0.1516 ( 5108 PWs) bands (ev): -10.4883 -10.4883 -10.4883 -10.4883 -10.2910 -10.2910 -10.2910 -10.2910 -1.6873 -1.6873 -1.6853 -1.6853 -0.0657 -0.0657 -0.0636 -0.0636 0.1757 0.1757 0.1933 0.1933 0.4706 0.4706 0.4808 0.4808 0.7041 0.7041 0.7355 0.7355 2.3343 2.3343 2.3425 2.3425 3.2169 3.2169 3.2305 3.2305 3.5251 3.5251 3.5335 3.5335 4.8688 4.8688 4.8887 4.8887 5.2422 5.2422 5.2669 5.2669 7.2001 7.2001 7.2028 7.2028 9.4730 9.4730 9.4992 9.4992 9.9001 9.9001 k = 0.5000 0.3810 0.1516 ( 5104 PWs) bands (ev): -10.4876 -10.4876 -10.4876 -10.4876 -10.2890 -10.2890 -10.2889 -10.2889 -1.6842 -1.6842 -1.6825 -1.6825 -0.0683 -0.0683 -0.0666 -0.0666 0.1770 0.1770 0.1916 0.1916 0.4664 0.4664 0.4758 0.4758 0.7004 0.7004 0.7272 0.7272 2.3292 2.3292 2.3362 2.3362 3.2185 3.2185 3.2300 3.2300 3.5270 3.5270 3.5341 3.5341 4.8791 4.8791 4.8957 4.8957 5.2599 5.2599 5.2803 5.2803 7.1968 7.1968 7.1996 7.1996 9.4527 9.4527 9.4757 9.4757 9.8711 9.8711 k = 0.5000 0.3916 0.1516 ( 5104 PWs) bands (ev): -10.4870 -10.4870 -10.4870 -10.4870 -10.2873 -10.2873 -10.2872 -10.2872 -1.6815 -1.6815 -1.6802 -1.6802 -0.0706 -0.0706 -0.0692 -0.0692 0.1782 0.1782 0.1897 0.1897 0.4636 0.4636 0.4717 0.4717 0.6978 0.6978 0.7198 0.7198 2.3252 2.3252 2.3308 2.3308 3.2199 3.2199 3.2292 3.2292 3.5287 3.5287 3.5344 3.5344 4.8877 4.8877 4.9009 4.9009 5.2756 5.2756 5.2918 5.2918 7.1940 7.1940 7.1966 7.1966 9.4345 9.4345 9.4536 9.4536 9.8493 9.8493 k = 0.5000 0.4022 0.1516 ( 5104 PWs) bands (ev): -10.4866 -10.4866 -10.4865 -10.4865 -10.2860 -10.2860 -10.2859 -10.2859 -1.6795 -1.6795 -1.6784 -1.6784 -0.0724 -0.0724 -0.0714 -0.0714 0.1793 0.1793 0.1878 0.1878 0.4620 0.4620 0.4684 0.4684 0.6965 0.6965 0.7133 0.7133 2.3222 2.3222 2.3265 2.3265 3.2213 3.2213 3.2283 3.2283 3.5302 3.5302 3.5345 3.5345 4.8946 4.8946 4.9045 4.9045 5.2888 5.2888 5.3008 5.3008 7.1919 7.1919 7.1941 7.1941 9.4197 9.4197 9.4343 9.4343 9.8338 9.8338 k = 0.5000 0.4128 0.1516 ( 5112 PWs) bands (ev): -10.4862 -10.4862 -10.4862 -10.4862 -10.2850 -10.2850 -10.2850 -10.2850 -1.6779 -1.6779 -1.6772 -1.6772 -0.0736 -0.0736 -0.0730 -0.0730 0.1804 0.1804 0.1860 0.1860 0.4613 0.4613 0.4658 0.4658 0.6963 0.6963 0.7077 0.7077 2.3203 2.3203 2.3231 2.3231 3.2226 3.2226 3.2273 3.2273 3.5315 3.5315 3.5344 3.5344 4.8999 4.8999 4.9065 4.9065 5.2991 5.2991 5.3070 5.3070 7.1905 7.1905 7.1920 7.1920 9.4091 9.4091 9.4190 9.4190 9.8237 9.8237 k = 0.5000 0.4234 0.1516 ( 5108 PWs) bands (ev): -10.4860 -10.4860 -10.4860 -10.4860 -10.2844 -10.2844 -10.2844 -10.2844 -1.6769 -1.6769 -1.6766 -1.6766 -0.0744 -0.0744 -0.0740 -0.0740 0.1815 0.1815 0.1844 0.1844 0.4615 0.4615 0.4638 0.4638 0.6974 0.6974 0.7031 0.7031 2.3194 2.3194 2.3208 2.3208 3.2238 3.2238 3.2262 3.2262 3.5326 3.5326 3.5341 3.5341 4.9037 4.9037 4.9070 4.9070 5.3061 5.3061 5.3101 5.3101 7.1898 7.1898 7.1906 7.1906 9.4035 9.4035 9.4085 9.4085 9.8182 9.8182 k = 0.5000 0.4339 0.1516 ( 5112 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2842 -10.2842 -10.2842 -10.2842 -1.6765 -1.6765 -1.6764 -1.6764 -0.0745 -0.0745 -0.0744 -0.0744 0.1829 0.1829 0.1829 0.1829 0.4623 0.4623 0.4624 0.4624 0.6997 0.6997 0.6997 0.6997 2.3196 2.3196 2.3196 2.3196 3.2249 3.2249 3.2252 3.2252 3.5333 3.5333 3.5336 3.5336 4.9060 4.9060 4.9063 4.9063 5.3097 5.3097 5.3100 5.3100 7.1897 7.1897 7.1899 7.1899 9.4032 9.4032 9.4033 9.4033 9.8168 9.8169 k = 0.5000 0.4339 0.1516 ( 5112 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2842 -10.2842 -10.2842 -10.2842 -1.6765 -1.6765 -1.6764 -1.6764 -0.0745 -0.0745 -0.0744 -0.0744 0.1829 0.1829 0.1829 0.1829 0.4623 0.4623 0.4624 0.4624 0.6997 0.6997 0.6997 0.6997 2.3196 2.3196 2.3196 2.3196 3.2249 3.2249 3.2252 3.2252 3.5333 3.5333 3.5336 3.5336 4.9060 4.9060 4.9063 4.9063 5.3097 5.3097 5.3100 5.3100 7.1897 7.1897 7.1899 7.1899 9.4032 9.4032 9.4033 9.4033 9.8169 9.8170 k = 0.4894 0.4339 0.1516 ( 5112 PWs) bands (ev): -10.4858 -10.4858 -10.4858 -10.4858 -10.2853 -10.2853 -10.2853 -10.2853 -1.6738 -1.6738 -1.6736 -1.6736 -0.0882 -0.0882 -0.0881 -0.0881 0.1955 0.1955 0.1956 0.1956 0.4648 0.4648 0.4649 0.4649 0.6962 0.6962 0.6963 0.6963 2.3157 2.3157 2.3158 2.3158 3.2288 3.2288 3.2291 3.2291 3.5353 3.5353 3.5356 3.5356 4.9049 4.9049 4.9052 4.9052 5.3088 5.3088 5.3091 5.3091 7.1878 7.1878 7.1880 7.1880 9.4050 9.4050 9.4051 9.4051 9.8193 9.8194 k = 0.4787 0.4339 0.1516 ( 5116 PWs) bands (ev): -10.4854 -10.4854 -10.4854 -10.4854 -10.2884 -10.2884 -10.2884 -10.2884 -1.6654 -1.6654 -1.6653 -1.6653 -0.1228 -0.1228 -0.1227 -0.1227 0.2266 0.2266 0.2267 0.2267 0.4728 0.4728 0.4728 0.4728 0.6862 0.6862 0.6863 0.6863 2.3045 2.3045 2.3045 2.3045 3.2403 3.2403 3.2407 3.2407 3.5413 3.5413 3.5416 3.5416 4.9017 4.9017 4.9020 4.9020 5.3063 5.3063 5.3066 5.3066 7.1820 7.1820 7.1822 7.1822 9.4105 9.4105 9.4106 9.4106 9.8266 9.8267 k = 0.4681 0.4339 0.1516 ( 5120 PWs) bands (ev): -10.4848 -10.4848 -10.4847 -10.4847 -10.2935 -10.2935 -10.2935 -10.2935 -1.6515 -1.6515 -1.6513 -1.6513 -0.1682 -0.1682 -0.1681 -0.1681 0.2645 0.2645 0.2645 0.2645 0.4868 0.4868 0.4868 0.4868 0.6708 0.6708 0.6708 0.6708 2.2863 2.2863 2.2863 2.2863 3.2589 3.2589 3.2593 3.2593 3.5510 3.5510 3.5514 3.5514 4.8964 4.8964 4.8967 4.8967 5.3023 5.3023 5.3026 5.3026 7.1724 7.1724 7.1726 7.1726 9.4197 9.4197 9.4198 9.4198 9.8387 9.8387 k = 0.4574 0.4339 0.1516 ( 5124 PWs) bands (ev): -10.4839 -10.4839 -10.4838 -10.4838 -10.3007 -10.3007 -10.3007 -10.3007 -1.6321 -1.6321 -1.6319 -1.6319 -0.2182 -0.2182 -0.2181 -0.2181 0.3009 0.3009 0.3009 0.3009 0.5061 0.5061 0.5062 0.5062 0.6529 0.6529 0.6529 0.6529 2.2619 2.2619 2.2620 2.2620 3.2838 3.2838 3.2842 3.2842 3.5640 3.5640 3.5644 3.5644 4.8891 4.8891 4.8893 4.8893 5.2968 5.2968 5.2971 5.2971 7.1590 7.1590 7.1592 7.1592 9.4326 9.4326 9.4328 9.4328 9.8555 9.8557 k = 0.4468 0.4339 0.1516 ( 5124 PWs) bands (ev): -10.4827 -10.4827 -10.4827 -10.4827 -10.3098 -10.3098 -10.3098 -10.3098 -1.6072 -1.6072 -1.6071 -1.6071 -0.2700 -0.2700 -0.2699 -0.2699 0.3313 0.3313 0.3314 0.3314 0.5233 0.5233 0.5234 0.5234 0.6421 0.6421 0.6421 0.6421 2.2323 2.2323 2.2323 2.2323 3.3141 3.3141 3.3144 3.3144 3.5799 3.5799 3.5802 3.5802 4.8797 4.8797 4.8800 4.8800 5.2901 5.2901 5.2905 5.2905 7.1418 7.1418 7.1420 7.1420 9.4494 9.4494 9.4496 9.4496 9.8772 9.8773 k = 0.4362 0.4339 0.1516 ( 5124 PWs) bands (ev): -10.4813 -10.4813 -10.4812 -10.4812 -10.3208 -10.3208 -10.3207 -10.3207 -1.5771 -1.5771 -1.5770 -1.5770 -0.3218 -0.3218 -0.3217 -0.3217 0.3548 0.3548 0.3548 0.3548 0.5196 0.5196 0.5196 0.5196 0.6572 0.6572 0.6572 0.6572 2.1983 2.1983 2.1983 2.1983 3.3488 3.3488 3.3491 3.3491 3.5979 3.5979 3.5982 3.5982 4.8685 4.8685 4.8687 4.8687 5.2825 5.2825 5.2828 5.2828 7.1208 7.1208 7.1210 7.1210 9.4701 9.4701 9.4702 9.4702 9.9036 9.9037 k = 0.4255 0.4339 0.1516 ( 5124 PWs) bands (ev): -10.4797 -10.4797 -10.4796 -10.4796 -10.3335 -10.3335 -10.3335 -10.3335 -1.5417 -1.5417 -1.5416 -1.5416 -0.3730 -0.3730 -0.3729 -0.3729 0.3720 0.3720 0.3721 0.3721 0.4918 0.4918 0.4919 0.4919 0.7001 0.7001 0.7002 0.7002 2.1606 2.1606 2.1607 2.1607 3.3868 3.3868 3.3871 3.3871 3.6175 3.6175 3.6178 3.6178 4.8555 4.8555 4.8558 4.8558 5.2740 5.2740 5.2743 5.2743 7.0962 7.0962 7.0964 7.0964 9.4946 9.4946 9.4948 9.4948 9.9345 9.9346 k = 0.4149 0.4339 0.1516 ( 5124 PWs) bands (ev): -10.4779 -10.4779 -10.4778 -10.4778 -10.3480 -10.3480 -10.3480 -10.3480 -1.5013 -1.5013 -1.5012 -1.5012 -0.4229 -0.4229 -0.4228 -0.4228 0.3824 0.3824 0.3825 0.3825 0.4542 0.4542 0.4543 0.4543 0.7573 0.7573 0.7574 0.7574 2.1202 2.1202 2.1202 2.1202 3.4274 3.4274 3.4277 3.4277 3.6381 3.6381 3.6384 3.6384 4.8409 4.8409 4.8412 4.8412 5.2650 5.2650 5.2653 5.2653 7.0682 7.0682 7.0684 7.0684 9.5230 9.5230 9.5231 9.5231 9.9700 9.9700 k = 0.4043 0.4339 0.1516 ( 5116 PWs) bands (ev): -10.4759 -10.4759 -10.4759 -10.4759 -10.3640 -10.3640 -10.3640 -10.3640 -1.4560 -1.4560 -1.4559 -1.4559 -0.4713 -0.4713 -0.4712 -0.4712 0.3729 0.3729 0.3730 0.3730 0.4275 0.4275 0.4276 0.4276 0.8214 0.8214 0.8215 0.8215 2.0776 2.0776 2.0776 2.0776 3.4695 3.4695 3.4698 3.4698 3.6593 3.6593 3.6596 3.6596 4.8251 4.8251 4.8253 4.8253 5.2556 5.2556 5.2559 5.2559 7.0370 7.0370 7.0372 7.0372 9.5551 9.5551 9.5553 9.5553 10.0098 10.0099 k = 0.3936 0.4339 0.1516 ( 5116 PWs) bands (ev): -10.4739 -10.4739 -10.4739 -10.4739 -10.3814 -10.3814 -10.3814 -10.3814 -1.4060 -1.4060 -1.4059 -1.4059 -0.5179 -0.5179 -0.5178 -0.5178 0.3302 0.3302 0.3303 0.3303 0.4283 0.4283 0.4284 0.4284 0.8892 0.8892 0.8893 0.8893 2.0333 2.0333 2.0334 2.0334 3.5123 3.5123 3.5125 3.5125 3.6805 3.6805 3.6808 3.6808 4.8082 4.8082 4.8084 4.8084 5.2462 5.2462 5.2465 5.2465 7.0030 7.0030 7.0032 7.0032 9.5909 9.5909 9.5911 9.5911 10.0537 10.0539 k = 0.3830 0.4339 0.1516 ( 5112 PWs) bands (ev): -10.4721 -10.4721 -10.4721 -10.4721 -10.3999 -10.3999 -10.3999 -10.3999 -1.3516 -1.3516 -1.3515 -1.3515 -0.5626 -0.5626 -0.5625 -0.5625 0.2754 0.2754 0.2754 0.2754 0.4376 0.4376 0.4377 0.4377 0.9590 0.9590 0.9591 0.9591 1.9879 1.9879 1.9879 1.9879 3.5546 3.5546 3.5549 3.5549 3.7015 3.7015 3.7018 3.7018 4.7906 4.7906 4.7909 4.7909 5.2367 5.2367 5.2371 5.2371 6.9664 6.9664 6.9666 6.9666 9.6301 9.6301 9.6302 9.6302 10.1017 10.1017 k = 0.3723 0.4339 0.1516 ( 5108 PWs) bands (ev): -10.4710 -10.4710 -10.4709 -10.4709 -10.4189 -10.4189 -10.4188 -10.4188 -1.2930 -1.2930 -1.2929 -1.2929 -0.6052 -0.6052 -0.6051 -0.6051 0.2163 0.2163 0.2164 0.2164 0.4487 0.4487 0.4488 0.4488 1.0299 1.0299 1.0300 1.0300 1.9417 1.9417 1.9418 1.9418 3.5955 3.5955 3.5958 3.5958 3.7224 3.7224 3.7227 3.7227 4.7728 4.7728 4.7730 4.7730 5.2275 5.2275 5.2279 5.2279 6.9277 6.9277 6.9280 6.9280 9.6724 9.6724 9.6726 9.6726 10.1531 10.1532 k = 0.3617 0.4339 0.1516 ( 5104 PWs) bands (ev): -10.4723 -10.4723 -10.4722 -10.4722 -10.4364 -10.4364 -10.4364 -10.4364 -1.2307 -1.2307 -1.2305 -1.2305 -0.6456 -0.6456 -0.6454 -0.6454 0.1552 0.1552 0.1553 0.1553 0.4606 0.4606 0.4607 0.4607 1.1010 1.1010 1.1011 1.1011 1.8952 1.8952 1.8953 1.8953 3.6334 3.6334 3.6336 3.6336 3.7435 3.7435 3.7438 3.7438 4.7551 4.7551 4.7554 4.7554 5.2187 5.2187 5.2190 5.2190 6.8875 6.8875 6.8877 6.8877 9.7176 9.7176 9.7177 9.7177 10.2079 10.2079 k = 0.3511 0.4339 0.1516 ( 5104 PWs) bands (ev): -10.4810 -10.4810 -10.4810 -10.4810 -10.4473 -10.4473 -10.4473 -10.4473 -1.1651 -1.1651 -1.1649 -1.1649 -0.6836 -0.6836 -0.6834 -0.6834 0.0932 0.0932 0.0933 0.0933 0.4729 0.4729 0.4730 0.4730 1.1717 1.1717 1.1718 1.1718 1.8486 1.8486 1.8487 1.8487 3.6665 3.6665 3.6667 3.6667 3.7657 3.7657 3.7659 3.7659 4.7381 4.7381 4.7384 4.7384 5.2103 5.2103 5.2106 5.2106 6.8463 6.8463 6.8465 6.8465 9.7652 9.7652 9.7654 9.7654 10.2655 10.2655 k = 0.3404 0.4339 0.1516 ( 5100 PWs) bands (ev): -10.4991 -10.4991 -10.4991 -10.4991 -10.4497 -10.4497 -10.4497 -10.4497 -1.0969 -1.0969 -1.0968 -1.0968 -0.7190 -0.7190 -0.7188 -0.7188 0.0314 0.0314 0.0315 0.0315 0.4857 0.4857 0.4858 0.4858 1.2415 1.2415 1.2415 1.2415 1.8024 1.8024 1.8024 1.8024 3.6932 3.6932 3.6933 3.6933 3.7896 3.7896 3.7897 3.7897 4.7223 4.7223 4.7225 4.7225 5.2024 5.2024 5.2027 5.2027 6.8046 6.8046 6.8048 6.8048 9.8149 9.8149 9.8150 9.8150 10.3255 10.3255 k = 0.3298 0.4339 0.1516 ( 5092 PWs) bands (ev): -10.5217 -10.5217 -10.5217 -10.5217 -10.4484 -10.4484 -10.4483 -10.4483 -1.0275 -1.0275 -1.0274 -1.0274 -0.7513 -0.7513 -0.7512 -0.7512 -0.0292 -0.0292 -0.0291 -0.0291 0.4988 0.4988 0.4989 0.4989 1.3096 1.3096 1.3097 1.3097 1.7568 1.7568 1.7569 1.7569 3.7126 3.7126 3.7127 3.7127 3.8151 3.8151 3.8152 3.8152 4.7081 4.7081 4.7084 4.7084 5.1951 5.1951 5.1955 5.1955 6.7630 6.7630 6.7632 6.7632 9.8662 9.8662 9.8663 9.8663 10.3871 10.3873 k = 0.3191 0.4339 0.1516 ( 5088 PWs) bands (ev): -10.5461 -10.5461 -10.5461 -10.5461 -10.4457 -10.4457 -10.4457 -10.4457 -0.9595 -0.9595 -0.9594 -0.9594 -0.7791 -0.7791 -0.7790 -0.7790 -0.0871 -0.0871 -0.0870 -0.0870 0.5122 0.5122 0.5123 0.5123 1.3754 1.3754 1.3754 1.3754 1.7126 1.7126 1.7127 1.7127 3.7254 3.7254 3.7255 3.7255 3.8410 3.8410 3.8411 3.8411 4.6962 4.6962 4.6965 4.6965 5.1886 5.1886 5.1889 5.1889 6.7221 6.7221 6.7223 6.7223 9.9185 9.9185 9.9187 9.9187 10.4499 10.4500 k = 0.3085 0.4339 0.1516 ( 5096 PWs) bands (ev): -10.5715 -10.5715 -10.5715 -10.5715 -10.4425 -10.4425 -10.4425 -10.4425 -0.9013 -0.9013 -0.9012 -0.9012 -0.7959 -0.7959 -0.7957 -0.7957 -0.1403 -0.1403 -0.1402 -0.1402 0.5258 0.5258 0.5259 0.5259 1.4371 1.4371 1.4372 1.4372 1.6710 1.6710 1.6711 1.6711 3.7327 3.7327 3.7328 3.7328 3.8653 3.8653 3.8654 3.8654 4.6869 4.6869 4.6872 4.6872 5.1828 5.1828 5.1831 5.1831 6.6826 6.6826 6.6828 6.6828 9.9716 9.9716 9.9717 9.9717 10.5131 10.5132 k = 0.2979 0.4339 0.1516 ( 5088 PWs) bands (ev): -10.5975 -10.5975 -10.5975 -10.5975 -10.4391 -10.4391 -10.4390 -10.4390 -0.8786 -0.8786 -0.8785 -0.8785 -0.7789 -0.7789 -0.7788 -0.7788 -0.1855 -0.1855 -0.1854 -0.1854 0.5396 0.5396 0.5397 0.5397 1.4904 1.4904 1.4904 1.4904 1.6363 1.6363 1.6364 1.6364 3.7356 3.7356 3.7357 3.7357 3.8865 3.8865 3.8865 3.8865 4.6807 4.6807 4.6810 4.6810 5.1778 5.1778 5.1782 5.1782 6.6451 6.6451 6.6453 6.6453 10.0247 10.0247 10.0249 10.0249 10.5757 10.5757 k = 0.2872 0.4339 0.1516 ( 5076 PWs) bands (ev): -10.6240 -10.6240 -10.6240 -10.6240 -10.4354 -10.4354 -10.4353 -10.4353 -0.8903 -0.8903 -0.8902 -0.8902 -0.7345 -0.7345 -0.7344 -0.7344 -0.2174 -0.2174 -0.2173 -0.2173 0.5535 0.5535 0.5536 0.5536 1.5182 1.5182 1.5183 1.5183 1.6252 1.6252 1.6253 1.6253 3.7347 3.7347 3.7348 3.7348 3.9033 3.9033 3.9034 3.9034 4.6779 4.6779 4.6781 4.6781 5.1738 5.1738 5.1741 5.1741 6.6101 6.6101 6.6103 6.6103 10.0775 10.0775 10.0777 10.0777 10.6368 10.6368 k = 0.2766 0.4339 0.1516 ( 5072 PWs) bands (ev): -10.6507 -10.6507 -10.6507 -10.6507 -10.4316 -10.4316 -10.4315 -10.4315 -0.9102 -0.9102 -0.9100 -0.9100 -0.6970 -0.6970 -0.6969 -0.6969 -0.2282 -0.2282 -0.2281 -0.2281 0.5674 0.5674 0.5675 0.5675 1.5036 1.5036 1.5037 1.5037 1.6546 1.6546 1.6547 1.6547 3.7306 3.7306 3.7307 3.7307 3.9152 3.9152 3.9153 3.9153 4.6784 4.6784 4.6787 4.6787 5.1707 5.1707 5.1710 5.1710 6.5783 6.5783 6.5785 6.5785 10.1294 10.1294 10.1295 10.1295 10.6954 10.6955 k = 0.2660 0.4339 0.1516 ( 5068 PWs) bands (ev): -10.6775 -10.6775 -10.6775 -10.6775 -10.4277 -10.4277 -10.4277 -10.4277 -0.9311 -0.9311 -0.9310 -0.9310 -0.6805 -0.6805 -0.6804 -0.6804 -0.2106 -0.2106 -0.2104 -0.2104 0.5812 0.5812 0.5813 0.5813 1.4705 1.4705 1.4706 1.4706 1.7002 1.7002 1.7003 1.7003 3.7236 3.7236 3.7237 3.7237 3.9217 3.9217 3.9218 3.9218 4.6822 4.6822 4.6825 4.6825 5.1687 5.1687 5.1690 5.1690 6.5501 6.5501 6.5503 6.5503 10.1799 10.1799 10.1800 10.1800 10.7504 10.7504 k = 0.2553 0.4339 0.1516 ( 5076 PWs) bands (ev): -10.7043 -10.7043 -10.7043 -10.7043 -10.4238 -10.4238 -10.4237 -10.4237 -0.9518 -0.9518 -0.9516 -0.9516 -0.6870 -0.6870 -0.6869 -0.6869 -0.1641 -0.1641 -0.1639 -0.1639 0.5949 0.5949 0.5950 0.5950 1.4334 1.4334 1.4335 1.4335 1.7474 1.7474 1.7475 1.7475 3.7141 3.7141 3.7142 3.7142 3.9226 3.9226 3.9227 3.9227 4.6890 4.6890 4.6893 4.6893 5.1677 5.1677 5.1681 5.1681 6.5262 6.5262 6.5264 6.5264 10.2285 10.2285 10.2286 10.2286 10.8007 10.8008 k = 0.2447 0.4339 0.1516 ( 5084 PWs) bands (ev): -10.7309 -10.7309 -10.7309 -10.7309 -10.4198 -10.4198 -10.4198 -10.4198 -0.9721 -0.9721 -0.9719 -0.9719 -0.7102 -0.7102 -0.7101 -0.7101 -0.0953 -0.0953 -0.0952 -0.0952 0.6084 0.6084 0.6085 0.6085 1.3959 1.3959 1.3960 1.3960 1.7926 1.7926 1.7927 1.7927 3.7022 3.7022 3.7023 3.7023 3.9182 3.9182 3.9183 3.9183 4.6983 4.6983 4.6986 4.6986 5.1680 5.1680 5.1683 5.1683 6.5069 6.5069 6.5071 6.5071 10.2748 10.2748 10.2749 10.2749 10.8454 10.8454 k = 0.2340 0.4339 0.1516 ( 5084 PWs) bands (ev): -10.7572 -10.7572 -10.7572 -10.7572 -10.4159 -10.4159 -10.4159 -10.4159 -0.9923 -0.9923 -0.9921 -0.9921 -0.7422 -0.7422 -0.7421 -0.7421 -0.0119 -0.0119 -0.0118 -0.0118 0.6216 0.6216 0.6217 0.6217 1.3590 1.3590 1.3591 1.3591 1.8347 1.8347 1.8347 1.8347 3.6881 3.6881 3.6882 3.6882 3.9087 3.9087 3.9088 3.9088 4.7095 4.7095 4.7098 4.7098 5.1695 5.1695 5.1698 5.1698 6.4927 6.4927 6.4929 6.4929 10.3184 10.3184 10.3185 10.3185 10.8832 10.8833 k = 0.2234 0.4339 0.1516 ( 5084 PWs) bands (ev): -10.7831 -10.7831 -10.7831 -10.7831 -10.4120 -10.4120 -10.4120 -10.4120 -1.0131 -1.0131 -1.0129 -1.0129 -0.7772 -0.7772 -0.7771 -0.7771 0.0808 0.0808 0.0809 0.0809 0.6345 0.6345 0.6345 0.6345 1.3232 1.3232 1.3233 1.3233 1.8732 1.8732 1.8732 1.8732 3.6720 3.6720 3.6721 3.6721 3.8944 3.8944 3.8946 3.8946 4.7220 4.7220 4.7222 4.7222 5.1723 5.1723 5.1726 5.1726 6.4837 6.4837 6.4839 6.4839 10.3588 10.3588 10.3590 10.3590 10.9136 10.9136 k = 0.2128 0.4339 0.1516 ( 5080 PWs) bands (ev): -10.8086 -10.8086 -10.8085 -10.8085 -10.4081 -10.4081 -10.4081 -10.4081 -1.0352 -1.0352 -1.0350 -1.0350 -0.8115 -0.8115 -0.8114 -0.8114 0.1795 0.1795 0.1796 0.1796 0.6470 0.6470 0.6471 0.6471 1.2887 1.2887 1.2888 1.2888 1.9079 1.9079 1.9079 1.9079 3.6539 3.6539 3.6540 3.6540 3.8760 3.8760 3.8762 3.8762 4.7350 4.7350 4.7352 4.7352 5.1764 5.1764 5.1767 5.1767 6.4803 6.4803 6.4805 6.4805 10.3958 10.3958 10.3960 10.3960 10.9357 10.9358 k = 0.2021 0.4339 0.1516 ( 5068 PWs) bands (ev): -10.8334 -10.8334 -10.8333 -10.8333 -10.4043 -10.4043 -10.4043 -10.4043 -1.0595 -1.0595 -1.0593 -1.0593 -0.8426 -0.8426 -0.8425 -0.8425 0.2819 0.2819 0.2821 0.2821 0.6592 0.6592 0.6593 0.6593 1.2558 1.2558 1.2559 1.2559 1.9389 1.9389 1.9389 1.9389 3.6337 3.6337 3.6338 3.6338 3.8539 3.8539 3.8541 3.8541 4.7480 4.7480 4.7483 4.7483 5.1819 5.1819 5.1822 5.1822 6.4825 6.4825 6.4827 6.4827 10.4291 10.4291 10.4293 10.4293 10.9495 10.9496 k = 0.1915 0.4339 0.1516 ( 5056 PWs) bands (ev): -10.8575 -10.8575 -10.8574 -10.8574 -10.4006 -10.4006 -10.4006 -10.4006 -1.0864 -1.0864 -1.0863 -1.0863 -0.8689 -0.8689 -0.8688 -0.8688 0.3864 0.3864 0.3866 0.3866 0.6716 0.6716 0.6716 0.6716 1.2246 1.2246 1.2247 1.2247 1.9662 1.9662 1.9662 1.9662 3.6113 3.6113 3.6115 3.6115 3.8287 3.8287 3.8289 3.8289 4.7605 4.7605 4.7608 4.7608 5.1887 5.1887 5.1890 5.1890 6.4904 6.4904 6.4906 6.4906 10.4585 10.4585 10.4587 10.4587 10.9550 10.9550 k = 0.1809 0.4339 0.1516 ( 5048 PWs) bands (ev): -10.8808 -10.8808 -10.8807 -10.8807 -10.3970 -10.3970 -10.3970 -10.3970 -1.1162 -1.1162 -1.1160 -1.1160 -0.8898 -0.8898 -0.8897 -0.8897 0.4907 0.4907 0.4908 0.4908 0.6851 0.6851 0.6851 0.6851 1.1956 1.1956 1.1957 1.1957 1.9899 1.9899 1.9900 1.9900 3.5866 3.5866 3.5867 3.5867 3.8011 3.8011 3.8012 3.8012 4.7722 4.7722 4.7725 4.7725 5.1968 5.1968 5.1971 5.1971 6.5036 6.5036 6.5039 6.5039 10.4839 10.4839 10.4841 10.4841 10.9524 10.9525 k = 0.1702 0.4339 0.1516 ( 5056 PWs) bands (ev): -10.9032 -10.9032 -10.9032 -10.9032 -10.3936 -10.3936 -10.3935 -10.3935 -1.1481 -1.1481 -1.1479 -1.1479 -0.9056 -0.9056 -0.9054 -0.9054 0.5885 0.5885 0.5886 0.5886 0.7048 0.7048 0.7048 0.7048 1.1692 1.1692 1.1693 1.1693 2.0104 2.0104 2.0105 2.0105 3.5590 3.5590 3.5592 3.5592 3.7716 3.7716 3.7718 3.7718 4.7827 4.7827 4.7830 4.7830 5.2060 5.2060 5.2063 5.2063 6.5221 6.5221 6.5224 6.5224 10.5052 10.5052 10.5054 10.5054 10.9425 10.9426 k = 0.1596 0.4339 0.1516 ( 5044 PWs) bands (ev): -10.9246 -10.9246 -10.9246 -10.9246 -10.3902 -10.3902 -10.3902 -10.3902 -1.1812 -1.1812 -1.1811 -1.1811 -0.9168 -0.9168 -0.9167 -0.9167 0.6563 0.6563 0.6564 0.6564 0.7526 0.7526 0.7527 0.7527 1.1466 1.1466 1.1467 1.1467 2.0280 2.0280 2.0280 2.0280 3.5283 3.5283 3.5284 3.5284 3.7412 3.7412 3.7414 3.7414 4.7920 4.7920 4.7923 4.7923 5.2162 5.2162 5.2165 5.2165 6.5455 6.5455 6.5457 6.5457 10.5225 10.5225 10.5226 10.5226 10.9261 10.9261 k = 0.1489 0.4339 0.1516 ( 5048 PWs) bands (ev): -10.9451 -10.9451 -10.9450 -10.9450 -10.3870 -10.3870 -10.3870 -10.3870 -1.2147 -1.2147 -1.2146 -1.2146 -0.9244 -0.9244 -0.9242 -0.9242 0.6821 0.6821 0.6821 0.6821 0.8373 0.8373 0.8374 0.8374 1.1306 1.1306 1.1307 1.1307 2.0429 2.0429 2.0429 2.0429 3.4938 3.4938 3.4940 3.4940 3.7105 3.7105 3.7107 3.7107 4.8000 4.8000 4.8003 4.8003 5.2271 5.2271 5.2274 5.2274 6.5731 6.5731 6.5733 6.5733 10.5358 10.5358 10.5359 10.5359 10.9041 10.9042 k = 0.1383 0.4339 0.1516 ( 5044 PWs) bands (ev): -10.9644 -10.9644 -10.9644 -10.9644 -10.3840 -10.3840 -10.3840 -10.3840 -1.2478 -1.2478 -1.2476 -1.2476 -0.9290 -0.9290 -0.9289 -0.9289 0.6937 0.6937 0.6938 0.6938 0.9218 0.9218 0.9219 0.9219 1.1298 1.1298 1.1299 1.1299 2.0555 2.0555 2.0555 2.0555 3.4552 3.4552 3.4553 3.4553 3.6804 3.6804 3.6807 3.6807 4.8068 4.8068 4.8071 4.8071 5.2385 5.2385 5.2388 5.2388 6.6045 6.6045 6.6047 6.6047 10.5453 10.5453 10.5454 10.5454 10.8779 10.8780 k = 0.1277 0.4339 0.1516 ( 5040 PWs) bands (ev): -10.9825 -10.9825 -10.9825 -10.9825 -10.3811 -10.3811 -10.3811 -10.3811 -1.2797 -1.2797 -1.2796 -1.2796 -0.9314 -0.9314 -0.9313 -0.9313 0.7012 0.7012 0.7013 0.7013 0.9749 0.9749 0.9751 0.9751 1.1651 1.1651 1.1652 1.1652 2.0662 2.0662 2.0662 2.0662 3.4119 3.4119 3.4121 3.4121 3.6516 3.6516 3.6518 3.6518 4.8124 4.8124 4.8127 4.8127 5.2501 5.2501 5.2504 5.2504 6.6389 6.6389 6.6392 6.6392 10.5512 10.5512 10.5513 10.5513 10.8486 10.8486 k = 0.1170 0.4339 0.1516 ( 5048 PWs) bands (ev): -10.9994 -10.9994 -10.9994 -10.9994 -10.3785 -10.3785 -10.3785 -10.3785 -1.3101 -1.3101 -1.3100 -1.3100 -0.9321 -0.9321 -0.9319 -0.9319 0.7067 0.7067 0.7067 0.7067 0.9878 0.9878 0.9879 0.9879 1.2430 1.2430 1.2431 1.2431 2.0753 2.0753 2.0754 2.0754 3.3640 3.3640 3.3641 3.3641 3.6245 3.6245 3.6248 3.6248 4.8169 4.8169 4.8172 4.8172 5.2617 5.2617 5.2620 5.2620 6.6756 6.6756 6.6758 6.6758 10.5538 10.5538 10.5540 10.5540 10.8171 10.8172 k = 0.1064 0.4339 0.1516 ( 5044 PWs) bands (ev): -11.0151 -11.0151 -11.0150 -11.0150 -10.3760 -10.3760 -10.3760 -10.3760 -1.3386 -1.3386 -1.3384 -1.3384 -0.9314 -0.9314 -0.9312 -0.9312 0.7108 0.7108 0.7108 0.7108 0.9820 0.9820 0.9821 0.9821 1.3407 1.3407 1.3408 1.3408 2.0833 2.0833 2.0833 2.0833 3.3113 3.3113 3.3115 3.3115 3.5994 3.5994 3.5997 3.5997 4.8205 4.8205 4.8208 4.8208 5.2730 5.2730 5.2733 5.2733 6.7136 6.7136 6.7139 6.7139 10.5536 10.5536 10.5537 10.5537 10.7847 10.7847 k = 0.0957 0.4339 0.1516 ( 5052 PWs) bands (ev): -11.0294 -11.0294 -11.0293 -11.0293 -10.3737 -10.3737 -10.3737 -10.3737 -1.3648 -1.3648 -1.3647 -1.3647 -0.9298 -0.9298 -0.9296 -0.9296 0.7138 0.7138 0.7139 0.7139 0.9707 0.9707 0.9708 0.9708 1.4442 1.4442 1.4443 1.4443 2.0906 2.0906 2.0906 2.0906 3.2543 3.2543 3.2545 3.2545 3.5765 3.5765 3.5768 3.5768 4.8234 4.8234 4.8237 4.8237 5.2839 5.2839 5.2842 5.2842 6.7522 6.7522 6.7524 6.7524 10.5509 10.5509 10.5511 10.5511 10.7524 10.7524 k = 0.0851 0.4339 0.1516 ( 5052 PWs) bands (ev): -11.0423 -11.0423 -11.0422 -11.0422 -10.3717 -10.3717 -10.3717 -10.3717 -1.3887 -1.3887 -1.3886 -1.3886 -0.9275 -0.9275 -0.9274 -0.9274 0.7161 0.7161 0.7161 0.7161 0.9582 0.9582 0.9583 0.9583 1.5484 1.5484 1.5485 1.5485 2.0975 2.0975 2.0975 2.0975 3.1932 3.1932 3.1934 3.1934 3.5558 3.5558 3.5561 3.5561 4.8256 4.8256 4.8258 4.8258 5.2940 5.2940 5.2943 5.2943 6.7902 6.7902 6.7904 6.7904 10.5463 10.5463 10.5464 10.5464 10.7210 10.7211 k = 0.0745 0.4339 0.1516 ( 5052 PWs) bands (ev): -11.0537 -11.0537 -11.0537 -11.0537 -10.3699 -10.3699 -10.3698 -10.3698 -1.4101 -1.4101 -1.4100 -1.4100 -0.9249 -0.9249 -0.9247 -0.9247 0.7177 0.7177 0.7177 0.7177 0.9460 0.9460 0.9461 0.9461 1.6506 1.6506 1.6507 1.6507 2.1049 2.1049 2.1049 2.1049 3.1288 3.1288 3.1290 3.1290 3.5374 3.5374 3.5377 3.5377 4.8272 4.8272 4.8275 4.8275 5.3033 5.3033 5.3036 5.3036 6.8267 6.8267 6.8269 6.8269 10.5402 10.5402 10.5404 10.5404 10.6915 10.6915 k = 0.0638 0.4339 0.1516 ( 5064 PWs) bands (ev): -11.0638 -11.0638 -11.0637 -11.0637 -10.3683 -10.3683 -10.3682 -10.3682 -1.4288 -1.4288 -1.4287 -1.4287 -0.9221 -0.9221 -0.9219 -0.9219 0.7187 0.7187 0.7187 0.7187 0.9348 0.9348 0.9349 0.9349 1.7485 1.7485 1.7486 1.7486 2.1137 2.1137 2.1137 2.1137 3.0616 3.0616 3.0618 3.0618 3.5213 3.5213 3.5216 3.5216 4.8285 4.8285 4.8288 4.8288 5.3116 5.3116 5.3119 5.3119 6.8609 6.8609 6.8611 6.8611 10.5333 10.5333 10.5335 10.5335 10.6644 10.6644 k = 0.0532 0.4339 0.1516 ( 5064 PWs) bands (ev): -11.0723 -11.0723 -11.0723 -11.0723 -10.3669 -10.3669 -10.3669 -10.3669 -1.4447 -1.4447 -1.4446 -1.4446 -0.9194 -0.9194 -0.9192 -0.9192 0.7194 0.7194 0.7194 0.7194 0.9250 0.9250 0.9251 0.9251 1.8387 1.8387 1.8388 1.8388 2.1259 2.1259 2.1259 2.1259 2.9929 2.9929 2.9931 2.9931 3.5075 3.5075 3.5078 3.5078 4.8294 4.8294 4.8297 4.8297 5.3188 5.3188 5.3191 5.3191 6.8916 6.8916 6.8918 6.8918 10.5262 10.5262 10.5263 10.5263 10.6404 10.6404 k = 0.0426 0.4339 0.1516 ( 5060 PWs) bands (ev): -11.0793 -11.0793 -11.0793 -11.0793 -10.3658 -10.3658 -10.3658 -10.3658 -1.4579 -1.4579 -1.4578 -1.4578 -0.9169 -0.9169 -0.9167 -0.9167 0.7197 0.7197 0.7198 0.7198 0.9168 0.9168 0.9169 0.9169 1.9162 1.9162 1.9162 1.9162 2.1449 2.1449 2.1450 2.1450 2.9241 2.9241 2.9243 2.9243 3.4961 3.4961 3.4965 3.4965 4.8300 4.8300 4.8303 4.8303 5.3248 5.3248 5.3250 5.3250 6.9182 6.9182 6.9184 6.9184 10.5194 10.5194 10.5195 10.5195 10.6201 10.6201 k = 0.0319 0.4339 0.1516 ( 5056 PWs) bands (ev): -11.0848 -11.0848 -11.0848 -11.0848 -10.3649 -10.3649 -10.3649 -10.3649 -1.4682 -1.4682 -1.4680 -1.4680 -0.9148 -0.9148 -0.9146 -0.9146 0.7199 0.7199 0.7200 0.7200 0.9103 0.9103 0.9104 0.9104 1.9739 1.9739 1.9739 1.9739 2.1750 2.1750 2.1750 2.1750 2.8581 2.8581 2.8583 2.8583 3.4872 3.4872 3.4875 3.4875 4.8305 4.8305 4.8308 4.8308 5.3295 5.3295 5.3298 5.3298 6.9397 6.9397 6.9399 6.9399 10.5135 10.5135 10.5136 10.5136 10.6039 10.6039 k = 0.0213 0.4339 0.1516 ( 5076 PWs) bands (ev): -11.0887 -11.0887 -11.0887 -11.0887 -10.3643 -10.3643 -10.3643 -10.3643 -1.4755 -1.4755 -1.4754 -1.4754 -0.9132 -0.9132 -0.9130 -0.9130 0.7200 0.7200 0.7200 0.7200 0.9056 0.9056 0.9057 0.9057 2.0086 2.0086 2.0087 2.0087 2.2142 2.2142 2.2143 2.2143 2.7995 2.7995 2.7998 2.7998 3.4808 3.4808 3.4811 3.4811 4.8308 4.8308 4.8311 4.8311 5.3329 5.3329 5.3332 5.3332 6.9556 6.9556 6.9558 6.9558 10.5089 10.5089 10.5090 10.5090 10.5920 10.5920 k = 0.0106 0.4339 0.1516 ( 5072 PWs) bands (ev): -11.0911 -11.0911 -11.0911 -11.0911 -10.3639 -10.3639 -10.3639 -10.3639 -1.4799 -1.4799 -1.4798 -1.4798 -0.9122 -0.9122 -0.9120 -0.9120 0.7200 0.7200 0.7200 0.7200 0.9028 0.9028 0.9029 0.9029 2.0254 2.0254 2.0254 2.0254 2.2496 2.2496 2.2497 2.2497 2.7567 2.7567 2.7569 2.7569 3.4769 3.4769 3.4772 3.4772 4.8309 4.8309 4.8312 4.8312 5.3350 5.3350 5.3352 5.3352 6.9653 6.9653 6.9655 6.9655 10.5060 10.5060 10.5061 10.5061 10.5848 10.5848 k = 0.0000 0.4339 0.1516 ( 5076 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4814 -1.4814 -1.4813 -1.4813 -0.9119 -0.9119 -0.9117 -0.9117 0.7200 0.7200 0.7201 0.7201 0.9018 0.9018 0.9019 0.9019 2.0302 2.0302 2.0303 2.0303 2.2641 2.2641 2.2642 2.2642 2.7404 2.7404 2.7407 2.7407 3.4756 3.4756 3.4759 3.4759 4.8310 4.8310 4.8313 4.8313 5.3357 5.3357 5.3359 5.3359 6.9686 6.9686 6.9688 6.9688 10.5050 10.5050 10.5052 10.5052 10.5824 10.5824 k = 0.0000 0.4339 0.1516 ( 5076 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4814 -1.4814 -1.4813 -1.4813 -0.9119 -0.9119 -0.9117 -0.9117 0.7200 0.7200 0.7201 0.7201 0.9018 0.9018 0.9019 0.9019 2.0302 2.0302 2.0303 2.0303 2.2641 2.2641 2.2642 2.2642 2.7404 2.7404 2.7407 2.7407 3.4756 3.4756 3.4759 3.4759 4.8310 4.8310 4.8313 4.8313 5.3357 5.3357 5.3359 5.3359 6.9686 6.9686 6.9688 6.9688 10.5050 10.5050 10.5052 10.5052 10.5824 10.5824 k = 0.0000 0.4234 0.1516 ( 5074 PWs) bands (ev): -11.0921 -11.0921 -11.0921 -11.0921 -10.3638 -10.3638 -10.3638 -10.3638 -1.4813 -1.4813 -1.4811 -1.4811 -0.9119 -0.9119 -0.9117 -0.9117 0.7211 0.7211 0.7211 0.7211 0.9022 0.9022 0.9023 0.9023 2.0305 2.0305 2.0305 2.0305 2.2641 2.2641 2.2641 2.2641 2.7405 2.7405 2.7408 2.7408 3.4757 3.4757 3.4761 3.4761 4.8302 4.8302 4.8305 4.8305 5.3349 5.3349 5.3352 5.3352 6.9685 6.9685 6.9688 6.9688 10.4810 10.4810 10.4812 10.4812 10.6087 10.6087 k = 0.0000 0.4128 0.1516 ( 5078 PWs) bands (ev): -11.0930 -11.0930 -11.0929 -11.0929 -10.3639 -10.3639 -10.3639 -10.3639 -1.4808 -1.4808 -1.4807 -1.4807 -0.9118 -0.9118 -0.9117 -0.9117 0.7243 0.7243 0.7244 0.7244 0.9034 0.9034 0.9035 0.9035 2.0312 2.0312 2.0313 2.0313 2.2639 2.2639 2.2640 2.2640 2.7407 2.7407 2.7409 2.7409 3.4760 3.4760 3.4764 3.4764 4.8279 4.8279 4.8282 4.8282 5.3328 5.3328 5.3331 5.3331 6.9684 6.9684 6.9686 6.9686 10.4396 10.4396 10.4397 10.4397 10.6569 10.6570 k = 0.0000 0.4022 0.1516 ( 5076 PWs) bands (ev): -11.0943 -11.0943 -11.0943 -11.0943 -10.3640 -10.3640 -10.3640 -10.3640 -1.4801 -1.4801 -1.4799 -1.4799 -0.9118 -0.9118 -0.9116 -0.9116 0.7296 0.7296 0.7297 0.7297 0.9054 0.9054 0.9055 0.9055 2.0325 2.0325 2.0325 2.0325 2.2637 2.2637 2.2637 2.2637 2.7409 2.7409 2.7412 2.7412 3.4765 3.4765 3.4769 3.4769 4.8241 4.8241 4.8244 4.8244 5.3293 5.3293 5.3296 5.3296 6.9682 6.9682 6.9684 6.9684 10.3967 10.3967 10.3969 10.3969 10.7110 10.7111 k = 0.0000 0.3916 0.1516 ( 5074 PWs) bands (ev): -11.0962 -11.0962 -11.0962 -11.0962 -10.3642 -10.3642 -10.3642 -10.3642 -1.4790 -1.4790 -1.4789 -1.4789 -0.9118 -0.9118 -0.9116 -0.9116 0.7369 0.7369 0.7369 0.7369 0.9084 0.9084 0.9085 0.9085 2.0342 2.0342 2.0342 2.0342 2.2634 2.2634 2.2634 2.2634 2.7413 2.7413 2.7416 2.7416 3.4772 3.4772 3.4775 3.4775 4.8187 4.8187 4.8190 4.8190 5.3245 5.3245 5.3248 5.3248 6.9679 6.9679 6.9681 6.9681 10.3549 10.3549 10.3550 10.3550 10.7683 10.7684 k = 0.0000 0.3810 0.1516 ( 5068 PWs) bands (ev): -11.0986 -11.0986 -11.0986 -11.0986 -10.3644 -10.3644 -10.3644 -10.3644 -1.4777 -1.4777 -1.4776 -1.4776 -0.9117 -0.9117 -0.9115 -0.9115 0.7459 0.7459 0.7459 0.7459 0.9125 0.9125 0.9126 0.9126 2.0363 2.0363 2.0363 2.0363 2.2630 2.2630 2.2631 2.2631 2.7418 2.7418 2.7421 2.7421 3.4780 3.4780 3.4784 3.4784 4.8118 4.8118 4.8121 4.8121 5.3186 5.3186 5.3188 5.3188 6.9675 6.9675 6.9677 6.9677 10.3145 10.3145 10.3146 10.3146 10.8280 10.8280 k = 0.0000 0.3704 0.1516 ( 5052 PWs) bands (ev): -11.1015 -11.1015 -11.1015 -11.1015 -10.3647 -10.3647 -10.3647 -10.3647 -1.4761 -1.4761 -1.4760 -1.4760 -0.9116 -0.9116 -0.9114 -0.9114 0.7564 0.7564 0.7564 0.7564 0.9181 0.9181 0.9182 0.9182 2.0388 2.0388 2.0388 2.0388 2.2627 2.2627 2.2627 2.2627 2.7424 2.7424 2.7426 2.7426 3.4790 3.4790 3.4794 3.4794 4.8033 4.8033 4.8036 4.8036 5.3116 5.3116 5.3119 5.3119 6.9670 6.9670 6.9672 6.9672 10.2757 10.2757 10.2758 10.2758 10.8896 10.8897 k = 0.0000 0.3599 0.1516 ( 5058 PWs) bands (ev): -11.1049 -11.1049 -11.1049 -11.1049 -10.3651 -10.3651 -10.3651 -10.3651 -1.4743 -1.4743 -1.4742 -1.4742 -0.9115 -0.9115 -0.9113 -0.9113 0.7680 0.7680 0.7680 0.7680 0.9253 0.9253 0.9254 0.9254 2.0415 2.0415 2.0416 2.0416 2.2623 2.2623 2.2624 2.2624 2.7430 2.7430 2.7433 2.7433 3.4801 3.4801 3.4804 3.4804 4.7933 4.7933 4.7936 4.7936 5.3039 5.3039 5.3041 5.3041 6.9665 6.9665 6.9667 6.9667 10.2385 10.2385 10.2386 10.2386 10.9527 10.9528 k = 0.0000 0.3493 0.1516 ( 5058 PWs) bands (ev): -11.1087 -11.1087 -11.1087 -11.1087 -10.3655 -10.3655 -10.3655 -10.3655 -1.4723 -1.4723 -1.4722 -1.4722 -0.9114 -0.9114 -0.9112 -0.9112 0.7803 0.7803 0.7803 0.7803 0.9347 0.9347 0.9348 0.9348 2.0446 2.0446 2.0446 2.0446 2.2620 2.2620 2.2621 2.2621 2.7438 2.7438 2.7441 2.7441 3.4813 3.4813 3.4816 3.4816 4.7818 4.7818 4.7821 4.7821 5.2955 5.2955 5.2957 5.2957 6.9659 6.9659 6.9661 6.9661 10.2028 10.2028 10.2029 10.2029 11.0168 11.0169 k = 0.0000 0.3387 0.1516 ( 5058 PWs) bands (ev): -11.1130 -11.1130 -11.1130 -11.1130 -10.3660 -10.3660 -10.3660 -10.3660 -1.4701 -1.4701 -1.4700 -1.4700 -0.9113 -0.9113 -0.9111 -0.9111 0.7929 0.7929 0.7929 0.7929 0.9466 0.9466 0.9467 0.9467 2.0478 2.0478 2.0478 2.0478 2.2619 2.2619 2.2619 2.2619 2.7447 2.7447 2.7450 2.7450 3.4825 3.4825 3.4828 3.4828 4.7687 4.7687 4.7691 4.7691 5.2866 5.2866 5.2868 5.2868 6.9653 6.9653 6.9655 6.9655 10.1685 10.1685 10.1686 10.1686 11.0814 11.0815 k = 0.0000 0.3281 0.1516 ( 5066 PWs) bands (ev): -11.1176 -11.1176 -11.1176 -11.1176 -10.3665 -10.3665 -10.3665 -10.3665 -1.4678 -1.4678 -1.4677 -1.4677 -0.9112 -0.9112 -0.9110 -0.9110 0.8051 0.8051 0.8052 0.8052 0.9615 0.9615 0.9616 0.9616 2.0511 2.0511 2.0511 2.0511 2.2619 2.2619 2.2619 2.2619 2.7457 2.7457 2.7459 2.7459 3.4837 3.4837 3.4840 3.4840 4.7543 4.7543 4.7546 4.7546 5.2774 5.2774 5.2776 5.2776 6.9646 6.9646 6.9648 6.9648 10.1353 10.1353 10.1354 10.1354 11.1456 11.1456 k = 0.0000 0.3175 0.1516 ( 5066 PWs) bands (ev): -11.1227 -11.1227 -11.1226 -11.1226 -10.3671 -10.3671 -10.3671 -10.3671 -1.4654 -1.4654 -1.4652 -1.4652 -0.9110 -0.9110 -0.9108 -0.9108 0.8168 0.8168 0.8168 0.8168 0.9797 0.9797 0.9798 0.9798 2.0544 2.0544 2.0544 2.0544 2.2621 2.2621 2.2621 2.2621 2.7467 2.7467 2.7470 2.7470 3.4848 3.4848 3.4852 3.4852 4.7384 4.7384 4.7387 4.7387 5.2681 5.2681 5.2683 5.2683 6.9639 6.9639 6.9641 6.9641 10.1033 10.1033 10.1034 10.1034 11.2086 11.2087 k = 0.0000 0.3069 0.1516 ( 5080 PWs) bands (ev): -11.1280 -11.1280 -11.1280 -11.1280 -10.3678 -10.3678 -10.3677 -10.3677 -1.4628 -1.4628 -1.4627 -1.4627 -0.9109 -0.9109 -0.9107 -0.9107 0.8275 0.8275 0.8275 0.8275 1.0014 1.0014 1.0014 1.0014 2.0577 2.0577 2.0577 2.0577 2.2625 2.2625 2.2625 2.2625 2.7478 2.7478 2.7481 2.7481 3.4859 3.4859 3.4862 3.4862 4.7212 4.7212 4.7215 4.7215 5.2588 5.2588 5.2590 5.2590 6.9631 6.9631 6.9633 6.9633 10.0723 10.0723 10.0724 10.0724 11.2693 11.2694 k = 0.0000 0.2963 0.1516 ( 5076 PWs) bands (ev): -11.1336 -11.1336 -11.1336 -11.1336 -10.3685 -10.3685 -10.3685 -10.3685 -1.4602 -1.4602 -1.4601 -1.4601 -0.9108 -0.9108 -0.9106 -0.9106 0.8372 0.8372 0.8373 0.8373 1.0265 1.0265 1.0266 1.0266 2.0608 2.0608 2.0608 2.0608 2.2633 2.2633 2.2633 2.2633 2.7490 2.7490 2.7493 2.7493 3.4868 3.4868 3.4871 3.4871 4.7029 4.7029 4.7032 4.7032 5.2496 5.2496 5.2499 5.2499 6.9624 6.9624 6.9626 6.9626 10.0421 10.0421 10.0422 10.0422 11.3265 11.3265 k = 0.0000 0.2858 0.1516 ( 5080 PWs) bands (ev): -11.1395 -11.1395 -11.1395 -11.1395 -10.3693 -10.3693 -10.3692 -10.3692 -1.4576 -1.4576 -1.4575 -1.4575 -0.9107 -0.9107 -0.9105 -0.9105 0.8462 0.8462 0.8462 0.8462 1.0549 1.0549 1.0549 1.0549 2.0637 2.0637 2.0637 2.0637 2.2644 2.2644 2.2644 2.2644 2.7503 2.7503 2.7506 2.7506 3.4875 3.4875 3.4879 3.4879 4.6835 4.6835 4.6838 4.6838 5.2408 5.2408 5.2410 5.2410 6.9616 6.9616 6.9618 6.9618 10.0127 10.0127 10.0128 10.0128 11.3784 11.3784 k = 0.0000 0.2752 0.1516 ( 5088 PWs) bands (ev): -11.1456 -11.1456 -11.1456 -11.1456 -10.3701 -10.3701 -10.3701 -10.3701 -1.4550 -1.4550 -1.4548 -1.4548 -0.9105 -0.9105 -0.9104 -0.9104 0.8544 0.8544 0.8545 0.8545 1.0862 1.0862 1.0862 1.0862 2.0664 2.0664 2.0664 2.0664 2.2658 2.2658 2.2658 2.2658 2.7517 2.7517 2.7519 2.7519 3.4880 3.4880 3.4883 3.4883 4.6631 4.6631 4.6635 4.6635 5.2323 5.2323 5.2325 5.2325 6.9608 6.9608 6.9610 6.9610 9.9840 9.9840 9.9841 9.9841 11.4233 11.4234 k = 0.0000 0.2646 0.1516 ( 5082 PWs) bands (ev): -11.1519 -11.1519 -11.1519 -11.1519 -10.3710 -10.3710 -10.3710 -10.3710 -1.4524 -1.4524 -1.4522 -1.4522 -0.9104 -0.9104 -0.9102 -0.9102 0.8621 0.8621 0.8622 0.8622 1.1202 1.1202 1.1202 1.1202 2.0687 2.0687 2.0688 2.0688 2.2676 2.2676 2.2676 2.2676 2.7531 2.7531 2.7534 2.7534 3.4882 3.4882 3.4885 3.4885 4.6421 4.6421 4.6424 4.6424 5.2242 5.2242 5.2245 5.2245 6.9600 6.9600 6.9602 6.9602 9.9558 9.9558 9.9559 9.9559 11.4593 11.4593 k = 0.0000 0.2540 0.1516 ( 5086 PWs) bands (ev): -11.1584 -11.1584 -11.1583 -11.1583 -10.3719 -10.3719 -10.3719 -10.3719 -1.4498 -1.4498 -1.4497 -1.4497 -0.9103 -0.9103 -0.9101 -0.9101 0.8695 0.8695 0.8696 0.8696 1.1565 1.1565 1.1565 1.1565 2.0708 2.0708 2.0708 2.0708 2.2698 2.2698 2.2698 2.2698 2.7546 2.7546 2.7548 2.7548 3.4880 3.4880 3.4884 3.4884 4.6203 4.6203 4.6207 4.6207 5.2166 5.2166 5.2169 5.2169 6.9592 6.9592 6.9594 6.9594 9.9281 9.9281 9.9282 9.9282 11.4843 11.4844 k = 0.0000 0.2434 0.1516 ( 5080 PWs) bands (ev): -11.1649 -11.1649 -11.1649 -11.1649 -10.3729 -10.3729 -10.3729 -10.3729 -1.4474 -1.4474 -1.4472 -1.4472 -0.9102 -0.9102 -0.9101 -0.9101 0.8766 0.8766 0.8767 0.8767 1.1949 1.1949 1.1949 1.1949 2.0724 2.0724 2.0725 2.0725 2.2723 2.2723 2.2723 2.2723 2.7561 2.7561 2.7564 2.7564 3.4875 3.4875 3.4878 3.4878 4.5982 4.5982 4.5985 4.5985 5.2096 5.2096 5.2099 5.2099 6.9584 6.9584 6.9586 6.9586 9.9009 9.9009 9.9010 9.9010 11.4970 11.4971 k = 0.0000 0.2328 0.1516 ( 5090 PWs) bands (ev): -11.1715 -11.1715 -11.1714 -11.1714 -10.3739 -10.3739 -10.3739 -10.3739 -1.4450 -1.4450 -1.4449 -1.4449 -0.9102 -0.9102 -0.9100 -0.9100 0.8836 0.8836 0.8837 0.8837 1.2350 1.2350 1.2350 1.2350 2.0738 2.0738 2.0738 2.0738 2.2752 2.2752 2.2752 2.2752 2.7578 2.7578 2.7580 2.7580 3.4864 3.4864 3.4868 3.4868 4.5758 4.5758 4.5761 4.5761 5.2032 5.2032 5.2034 5.2034 6.9576 6.9576 6.9578 6.9578 9.8741 9.8741 9.8742 9.8742 11.4967 11.4967 k = 0.0000 0.2223 0.1516 ( 5086 PWs) bands (ev): -11.1781 -11.1781 -11.1780 -11.1780 -10.3750 -10.3750 -10.3750 -10.3750 -1.4427 -1.4427 -1.4426 -1.4426 -0.9101 -0.9101 -0.9099 -0.9099 0.8905 0.8905 0.8906 0.8906 1.2766 1.2766 1.2766 1.2766 2.0748 2.0748 2.0749 2.0749 2.2783 2.2783 2.2783 2.2783 2.7594 2.7594 2.7597 2.7597 3.4849 3.4849 3.4852 3.4852 4.5532 4.5532 4.5535 4.5535 5.1973 5.1973 5.1976 5.1976 6.9569 6.9569 6.9571 6.9571 9.8476 9.8476 9.8477 9.8477 11.4836 11.4836 k = 0.0000 0.2117 0.1516 ( 5086 PWs) bands (ev): -11.1847 -11.1847 -11.1846 -11.1846 -10.3761 -10.3761 -10.3760 -10.3760 -1.4406 -1.4406 -1.4405 -1.4405 -0.9101 -0.9101 -0.9099 -0.9099 0.8974 0.8974 0.8975 0.8975 1.3194 1.3194 1.3195 1.3195 2.0756 2.0756 2.0757 2.0757 2.2816 2.2816 2.2816 2.2816 2.7612 2.7612 2.7614 2.7614 3.4828 3.4828 3.4831 3.4831 4.5307 4.5307 4.5310 4.5310 5.1921 5.1921 5.1923 5.1923 6.9562 6.9562 6.9564 6.9564 9.8215 9.8215 9.8216 9.8216 11.4589 11.4589 k = 0.0000 0.2011 0.1516 ( 5086 PWs) bands (ev): -11.1912 -11.1912 -11.1912 -11.1912 -10.3772 -10.3772 -10.3771 -10.3771 -1.4387 -1.4387 -1.4385 -1.4385 -0.9100 -0.9100 -0.9098 -0.9098 0.9043 0.9043 0.9044 0.9044 1.3632 1.3632 1.3632 1.3632 2.0762 2.0762 2.0762 2.0762 2.2851 2.2851 2.2851 2.2851 2.7630 2.7630 2.7632 2.7632 3.4801 3.4801 3.4804 3.4804 4.5084 4.5084 4.5087 4.5087 5.1874 5.1874 5.1877 5.1877 6.9555 6.9555 6.9557 6.9557 9.7958 9.7958 9.7959 9.7959 11.4244 11.4244 k = 0.0000 0.1905 0.1516 ( 5082 PWs) bands (ev): -11.1976 -11.1976 -11.1976 -11.1976 -10.3783 -10.3783 -10.3783 -10.3783 -1.4368 -1.4368 -1.4367 -1.4367 -0.9100 -0.9100 -0.9098 -0.9098 0.9111 0.9111 0.9112 0.9112 1.4077 1.4077 1.4077 1.4077 2.0766 2.0766 2.0766 2.0766 2.2887 2.2887 2.2888 2.2888 2.7648 2.7648 2.7651 2.7651 3.4767 3.4767 3.4770 3.4770 4.4864 4.4864 4.4867 4.4867 5.1834 5.1834 5.1837 5.1837 6.9548 6.9548 6.9550 6.9550 9.7704 9.7704 9.7705 9.7705 11.3821 11.3821 k = 0.0000 0.1799 0.1516 ( 5078 PWs) bands (ev): -11.2039 -11.2039 -11.2039 -11.2039 -10.3794 -10.3794 -10.3794 -10.3794 -1.4352 -1.4352 -1.4350 -1.4350 -0.9100 -0.9100 -0.9098 -0.9098 0.9179 0.9179 0.9180 0.9180 1.4525 1.4525 1.4525 1.4525 2.0769 2.0769 2.0770 2.0770 2.2924 2.2924 2.2924 2.2924 2.7667 2.7667 2.7669 2.7669 3.4726 3.4726 3.4730 3.4730 4.4648 4.4648 4.4651 4.4651 5.1801 5.1801 5.1803 5.1803 6.9542 6.9542 6.9544 6.9544 9.7455 9.7455 9.7456 9.7456 11.3340 11.3341 k = 0.0000 0.1693 0.1516 ( 5090 PWs) bands (ev): -11.2101 -11.2101 -11.2101 -11.2101 -10.3805 -10.3805 -10.3805 -10.3805 -1.4337 -1.4337 -1.4335 -1.4335 -0.9100 -0.9100 -0.9098 -0.9098 0.9246 0.9246 0.9247 0.9247 1.4974 1.4974 1.4974 1.4974 2.0773 2.0773 2.0773 2.0773 2.2961 2.2961 2.2961 2.2961 2.7686 2.7686 2.7688 2.7688 3.4678 3.4678 3.4681 3.4681 4.4438 4.4438 4.4442 4.4442 5.1773 5.1773 5.1776 5.1776 6.9536 6.9536 6.9538 6.9538 9.7210 9.7210 9.7211 9.7211 11.2819 11.2819 k = 0.0000 0.1588 0.1516 ( 5090 PWs) bands (ev): -11.2160 -11.2160 -11.2160 -11.2160 -10.3817 -10.3817 -10.3816 -10.3816 -1.4323 -1.4323 -1.4322 -1.4322 -0.9101 -0.9101 -0.9099 -0.9099 0.9312 0.9312 0.9313 0.9313 1.5420 1.5420 1.5420 1.5420 2.0777 2.0777 2.0777 2.0777 2.2998 2.2998 2.2998 2.2998 2.7705 2.7705 2.7708 2.7708 3.4623 3.4623 3.4626 3.4626 4.4236 4.4236 4.4239 4.4239 5.1752 5.1752 5.1755 5.1755 6.9530 6.9530 6.9532 6.9532 9.6970 9.6970 9.6971 9.6971 11.2273 11.2274 k = 0.0000 0.1482 0.1516 ( 5080 PWs) bands (ev): -11.2218 -11.2218 -11.2217 -11.2217 -10.3828 -10.3828 -10.3827 -10.3827 -1.4311 -1.4311 -1.4310 -1.4310 -0.9101 -0.9101 -0.9099 -0.9099 0.9377 0.9377 0.9378 0.9378 1.5860 1.5860 1.5860 1.5860 2.0783 2.0783 2.0784 2.0784 2.3034 2.3034 2.3035 2.3035 2.7724 2.7724 2.7727 2.7727 3.4560 3.4560 3.4563 3.4563 4.4041 4.4041 4.4044 4.4044 5.1736 5.1736 5.1739 5.1739 6.9525 6.9525 6.9527 6.9527 9.6737 9.6737 9.6738 9.6738 11.1717 11.1717 k = 0.0000 0.1376 0.1516 ( 5076 PWs) bands (ev): -11.2272 -11.2272 -11.2272 -11.2272 -10.3838 -10.3838 -10.3838 -10.3838 -1.4301 -1.4301 -1.4299 -1.4299 -0.9101 -0.9101 -0.9100 -0.9100 0.9440 0.9440 0.9441 0.9441 1.6289 1.6289 1.6290 1.6290 2.0793 2.0793 2.0793 2.0793 2.3070 2.3070 2.3070 2.3070 2.7743 2.7743 2.7746 2.7746 3.4490 3.4490 3.4493 3.4493 4.3856 4.3856 4.3859 4.3859 5.1726 5.1726 5.1729 5.1729 6.9520 6.9520 6.9522 6.9522 9.6510 9.6510 9.6511 9.6511 11.1160 11.1161 k = 0.0000 0.1270 0.1516 ( 5072 PWs) bands (ev): -11.2324 -11.2324 -11.2324 -11.2324 -10.3849 -10.3849 -10.3848 -10.3848 -1.4291 -1.4291 -1.4290 -1.4290 -0.9102 -0.9102 -0.9100 -0.9100 0.9501 0.9501 0.9502 0.9502 1.6704 1.6704 1.6704 1.6704 2.0806 2.0806 2.0806 2.0806 2.3105 2.3105 2.3105 2.3105 2.7762 2.7762 2.7764 2.7764 3.4412 3.4412 3.4416 3.4416 4.3680 4.3680 4.3683 4.3683 5.1721 5.1721 5.1724 5.1724 6.9515 6.9515 6.9518 6.9518 9.6292 9.6292 9.6293 9.6293 11.0614 11.0615 k = 0.0000 0.1164 0.1516 ( 5060 PWs) bands (ev): -11.2373 -11.2373 -11.2372 -11.2372 -10.3858 -10.3858 -10.3858 -10.3858 -1.4283 -1.4283 -1.4282 -1.4282 -0.9103 -0.9103 -0.9101 -0.9101 0.9559 0.9559 0.9560 0.9560 1.7100 1.7100 1.7100 1.7100 2.0825 2.0825 2.0825 2.0825 2.3139 2.3139 2.3140 2.3140 2.7780 2.7780 2.7783 2.7783 3.4329 3.4329 3.4332 3.4332 4.3516 4.3516 4.3519 4.3519 5.1721 5.1721 5.1723 5.1723 6.9511 6.9511 6.9513 6.9513 9.6082 9.6082 9.6084 9.6084 11.0086 11.0086 k = 0.0000 0.1058 0.1516 ( 5058 PWs) bands (ev): -11.2418 -11.2418 -11.2417 -11.2417 -10.3868 -10.3868 -10.3867 -10.3867 -1.4277 -1.4277 -1.4275 -1.4275 -0.9103 -0.9103 -0.9101 -0.9101 0.9614 0.9614 0.9615 0.9615 1.7471 1.7471 1.7471 1.7471 2.0850 2.0850 2.0851 2.0851 2.3173 2.3173 2.3173 2.3173 2.7798 2.7798 2.7800 2.7800 3.4241 3.4241 3.4244 3.4244 4.3363 4.3363 4.3367 4.3367 5.1724 5.1724 5.1726 5.1726 6.9508 6.9508 6.9510 6.9510 9.5884 9.5884 9.5885 9.5885 10.9583 10.9584 k = 0.0000 0.0953 0.1516 ( 5054 PWs) bands (ev): -11.2459 -11.2459 -11.2459 -11.2459 -10.3876 -10.3876 -10.3876 -10.3876 -1.4271 -1.4271 -1.4270 -1.4270 -0.9104 -0.9104 -0.9102 -0.9102 0.9665 0.9665 0.9666 0.9666 1.7813 1.7813 1.7813 1.7813 2.0883 2.0883 2.0884 2.0884 2.3207 2.3207 2.3207 2.3207 2.7814 2.7814 2.7817 2.7817 3.4149 3.4149 3.4152 3.4152 4.3224 4.3224 4.3227 4.3227 5.1730 5.1730 5.1733 5.1733 6.9504 6.9504 6.9506 6.9506 9.5698 9.5698 9.5699 9.5699 10.9112 10.9113 k = 0.0000 0.0847 0.1516 ( 5054 PWs) bands (ev): -11.2497 -11.2497 -11.2497 -11.2497 -10.3884 -10.3884 -10.3884 -10.3884 -1.4267 -1.4267 -1.4265 -1.4265 -0.9105 -0.9105 -0.9103 -0.9103 0.9712 0.9712 0.9713 0.9713 1.8121 1.8121 1.8121 1.8121 2.0924 2.0924 2.0925 2.0925 2.3239 2.3239 2.3240 2.3240 2.7830 2.7830 2.7833 2.7833 3.4055 3.4055 3.4058 3.4058 4.3097 4.3097 4.3100 4.3100 5.1739 5.1739 5.1741 5.1741 6.9501 6.9501 6.9503 6.9503 9.5526 9.5526 9.5527 9.5527 10.8678 10.8679 k = 0.0000 0.0741 0.1516 ( 5054 PWs) bands (ev): -11.2531 -11.2531 -11.2531 -11.2531 -10.3892 -10.3892 -10.3891 -10.3891 -1.4263 -1.4263 -1.4262 -1.4262 -0.9105 -0.9105 -0.9103 -0.9103 0.9754 0.9754 0.9756 0.9756 1.8391 1.8391 1.8391 1.8391 2.0974 2.0974 2.0974 2.0974 2.3272 2.3272 2.3272 2.3272 2.7845 2.7845 2.7847 2.7847 3.3962 3.3962 3.3965 3.3965 4.2984 4.2984 4.2988 4.2988 5.1749 5.1749 5.1752 5.1752 6.9499 6.9499 6.9501 6.9501 9.5369 9.5369 9.5370 9.5370 10.8286 10.8286 k = 0.0000 0.0635 0.1516 ( 5042 PWs) bands (ev): -11.2561 -11.2561 -11.2560 -11.2560 -10.3898 -10.3898 -10.3898 -10.3898 -1.4260 -1.4260 -1.4259 -1.4259 -0.9106 -0.9106 -0.9104 -0.9104 0.9792 0.9792 0.9793 0.9793 1.8621 1.8621 1.8621 1.8621 2.1030 2.1030 2.1031 2.1031 2.3303 2.3303 2.3304 2.3304 2.7858 2.7858 2.7860 2.7860 3.3872 3.3872 3.3875 3.3875 4.2886 4.2886 4.2889 4.2889 5.1761 5.1761 5.1763 5.1763 6.9496 6.9496 6.9498 6.9498 9.5229 9.5229 9.5230 9.5230 10.7937 10.7938 k = 0.0000 0.0529 0.1516 ( 5050 PWs) bands (ev): -11.2586 -11.2586 -11.2586 -11.2586 -10.3903 -10.3903 -10.3903 -10.3903 -1.4258 -1.4258 -1.4256 -1.4256 -0.9106 -0.9106 -0.9104 -0.9104 0.9824 0.9824 0.9826 0.9826 1.8808 1.8808 1.8809 1.8809 2.1090 2.1090 2.1091 2.1091 2.3334 2.3334 2.3334 2.3334 2.7869 2.7869 2.7872 2.7872 3.3789 3.3789 3.3792 3.3792 4.2802 4.2802 4.2805 4.2805 5.1772 5.1772 5.1774 5.1774 6.9494 6.9494 6.9497 6.9497 9.5107 9.5107 9.5108 9.5108 10.7637 10.7638 k = 0.0000 0.0423 0.1516 ( 5060 PWs) bands (ev): -11.2607 -11.2607 -11.2607 -11.2607 -10.3908 -10.3908 -10.3908 -10.3908 -1.4256 -1.4256 -1.4255 -1.4255 -0.9107 -0.9107 -0.9105 -0.9105 0.9851 0.9851 0.9853 0.9853 1.8956 1.8956 1.8956 1.8956 2.1150 2.1150 2.1150 2.1150 2.3362 2.3362 2.3362 2.3362 2.7878 2.7878 2.7881 2.7881 3.3715 3.3715 3.3718 3.3718 4.2733 4.2733 4.2737 4.2737 5.1782 5.1782 5.1784 5.1784 6.9493 6.9493 6.9495 6.9495 9.5006 9.5006 9.5007 9.5007 10.7389 10.7389 k = 0.0000 0.0318 0.1516 ( 5058 PWs) bands (ev): -11.2623 -11.2623 -11.2623 -11.2623 -10.3912 -10.3912 -10.3911 -10.3911 -1.4255 -1.4255 -1.4253 -1.4253 -0.9107 -0.9107 -0.9105 -0.9105 0.9873 0.9873 0.9874 0.9874 1.9066 1.9066 1.9066 1.9066 2.1203 2.1203 2.1204 2.1204 2.3386 2.3386 2.3386 2.3386 2.7886 2.7886 2.7889 2.7889 3.3653 3.3653 3.3657 3.3657 4.2679 4.2679 4.2683 4.2683 5.1791 5.1791 5.1793 5.1793 6.9492 6.9492 6.9494 6.9494 9.4925 9.4925 9.4926 9.4926 10.7194 10.7194 k = 0.0000 0.0212 0.1516 ( 5050 PWs) bands (ev): -11.2635 -11.2635 -11.2635 -11.2635 -10.3914 -10.3914 -10.3914 -10.3914 -1.4254 -1.4254 -1.4252 -1.4252 -0.9108 -0.9108 -0.9106 -0.9106 0.9888 0.9888 0.9889 0.9889 1.9141 1.9141 1.9141 1.9141 2.1246 2.1246 2.1246 2.1246 2.3404 2.3404 2.3404 2.3404 2.7892 2.7892 2.7894 2.7894 3.3607 3.3607 3.3610 3.3610 4.2641 4.2641 4.2644 4.2644 5.1797 5.1797 5.1800 5.1800 6.9491 6.9491 6.9493 6.9493 9.4867 9.4867 9.4868 9.4868 10.7053 10.7054 k = 0.0000 0.0106 0.1516 ( 5054 PWs) bands (ev): -11.2642 -11.2642 -11.2642 -11.2642 -10.3916 -10.3916 -10.3916 -10.3916 -1.4253 -1.4253 -1.4252 -1.4252 -0.9108 -0.9108 -0.9106 -0.9106 0.9897 0.9897 0.9898 0.9898 1.9185 1.9185 1.9185 1.9185 2.1273 2.1273 2.1273 2.1273 2.3416 2.3416 2.3416 2.3416 2.7895 2.7895 2.7898 2.7898 3.3579 3.3579 3.3582 3.3582 4.2618 4.2618 4.2621 4.2621 5.1802 5.1802 5.1804 5.1804 6.9490 6.9490 6.9492 6.9492 9.4832 9.4832 9.4833 9.4833 10.6968 10.6969 k = 0.0000 0.0000 0.1516 ( 5062 PWs) bands (ev): -11.2644 -11.2644 -11.2644 -11.2644 -10.3916 -10.3916 -10.3916 -10.3916 -1.4253 -1.4253 -1.4252 -1.4252 -0.9108 -0.9108 -0.9106 -0.9106 0.9900 0.9900 0.9902 0.9902 1.9199 1.9199 1.9199 1.9199 2.1283 2.1283 2.1283 2.1283 2.3420 2.3420 2.3421 2.3421 2.7896 2.7896 2.7899 2.7899 3.3569 3.3569 3.3572 3.3572 4.2610 4.2610 4.2614 4.2614 5.1803 5.1803 5.1805 5.1805 6.9490 6.9490 6.9492 6.9492 9.4820 9.4820 9.4821 9.4821 10.6940 10.6940 k = 0.0000 0.4339-0.0000 ( 5060 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4820 -1.4820 -1.4818 -1.4818 -0.9121 -0.9121 -0.9119 -0.9119 0.7114 0.7114 0.7115 0.7115 0.9283 0.9283 0.9283 0.9283 1.9983 1.9983 1.9983 1.9983 2.2509 2.2509 2.2510 2.2510 2.7589 2.7589 2.7592 2.7592 3.4794 3.4794 3.4797 3.4797 4.8528 4.8528 4.8531 4.8531 5.3311 5.3311 5.3314 5.3314 6.9683 6.9683 6.9685 6.9685 10.1902 10.1902 10.1902 10.1902 10.8948 10.8949 k = 0.0000 0.4339 0.0101 ( 5064 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4820 -1.4820 -1.4818 -1.4818 -0.9121 -0.9121 -0.9119 -0.9119 0.7115 0.7115 0.7116 0.7116 0.9280 0.9280 0.9280 0.9280 1.9987 1.9987 1.9987 1.9987 2.2511 2.2511 2.2511 2.2511 2.7587 2.7587 2.7590 2.7590 3.4794 3.4794 3.4797 3.4797 4.8526 4.8526 4.8529 4.8529 5.3311 5.3311 5.3314 5.3314 6.9683 6.9683 6.9685 6.9685 10.1921 10.1921 10.1922 10.1922 10.8929 10.8929 k = 0.0000 0.4339 0.0202 ( 5072 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4820 -1.4820 -1.4818 -1.4818 -0.9121 -0.9121 -0.9119 -0.9119 0.7118 0.7118 0.7118 0.7118 0.9272 0.9272 0.9272 0.9272 1.9998 1.9998 1.9998 1.9998 2.2514 2.2514 2.2515 2.2515 2.7582 2.7582 2.7584 2.7584 3.4792 3.4792 3.4796 3.4796 4.8519 4.8519 4.8522 4.8522 5.3313 5.3313 5.3316 5.3316 6.9683 6.9683 6.9685 6.9685 10.1979 10.1979 10.1979 10.1979 10.8872 10.8873 k = 0.0000 0.4339 0.0303 ( 5068 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4819 -1.4819 -1.4818 -1.4818 -0.9120 -0.9120 -0.9118 -0.9118 0.7122 0.7122 0.7122 0.7122 0.9258 0.9258 0.9258 0.9258 2.0015 2.0015 2.0015 2.0015 2.2520 2.2520 2.2521 2.2521 2.7572 2.7572 2.7575 2.7575 3.4790 3.4790 3.4794 3.4794 4.8507 4.8507 4.8510 4.8510 5.3315 5.3315 5.3318 5.3318 6.9683 6.9683 6.9685 6.9685 10.2074 10.2074 10.2074 10.2074 10.8778 10.8778 k = 0.0000 0.4339 0.0404 ( 5072 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4819 -1.4819 -1.4818 -1.4818 -0.9120 -0.9120 -0.9118 -0.9118 0.7127 0.7127 0.7128 0.7128 0.9240 0.9240 0.9240 0.9240 2.0038 2.0038 2.0038 2.0038 2.2528 2.2528 2.2529 2.2529 2.7560 2.7560 2.7563 2.7563 3.4788 3.4788 3.4791 3.4791 4.8492 4.8492 4.8495 4.8495 5.3319 5.3319 5.3322 5.3322 6.9683 6.9683 6.9685 6.9685 10.2206 10.2206 10.2206 10.2206 10.8648 10.8648 k = 0.0000 0.4339 0.0505 ( 5074 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4818 -1.4818 -1.4817 -1.4817 -0.9120 -0.9120 -0.9118 -0.9118 0.7134 0.7134 0.7135 0.7135 0.9218 0.9218 0.9218 0.9218 2.0065 2.0065 2.0066 2.0066 2.2539 2.2539 2.2539 2.2539 2.7545 2.7545 2.7548 2.7548 3.4785 3.4785 3.4788 3.4788 4.8473 4.8473 4.8476 4.8476 5.3323 5.3323 5.3326 5.3326 6.9683 6.9683 6.9685 6.9685 10.2373 10.2373 10.2373 10.2373 10.8483 10.8483 k = 0.0000 0.4339 0.0606 ( 5072 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4818 -1.4818 -1.4817 -1.4817 -0.9120 -0.9120 -0.9118 -0.9118 0.7142 0.7142 0.7142 0.7142 0.9193 0.9193 0.9193 0.9193 2.0096 2.0096 2.0096 2.0096 2.2550 2.2550 2.2551 2.2551 2.7528 2.7528 2.7531 2.7531 3.4781 3.4781 3.4784 3.4784 4.8452 4.8452 4.8455 4.8455 5.3327 5.3327 5.3330 5.3330 6.9684 6.9684 6.9686 6.9686 10.2572 10.2572 10.2572 10.2572 10.8286 10.8286 k = 0.0000 0.4339 0.0707 ( 5072 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4817 -1.4817 -1.4816 -1.4816 -0.9120 -0.9120 -0.9118 -0.9118 0.7150 0.7150 0.7151 0.7151 0.9166 0.9166 0.9166 0.9166 2.0129 2.0129 2.0129 2.0129 2.2563 2.2563 2.2564 2.2564 2.7510 2.7510 2.7512 2.7512 3.4777 3.4777 3.4780 3.4780 4.8430 4.8430 4.8433 4.8433 5.3332 5.3332 5.3335 5.3335 6.9684 6.9684 6.9686 6.9686 10.2802 10.2802 10.2802 10.2802 10.8058 10.8059 k = 0.0000 0.4339 0.0808 ( 5080 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4817 -1.4817 -1.4815 -1.4815 -0.9120 -0.9120 -0.9118 -0.9118 0.7159 0.7159 0.7160 0.7160 0.9138 0.9138 0.9139 0.9139 2.0163 2.0163 2.0163 2.0163 2.2577 2.2577 2.2577 2.2577 2.7490 2.7490 2.7493 2.7493 3.4773 3.4773 3.4776 3.4776 4.8407 4.8407 4.8410 4.8410 5.3337 5.3337 5.3339 5.3339 6.9684 6.9684 6.9686 6.9686 10.3060 10.3060 10.3060 10.3060 10.7803 10.7803 k = 0.0000 0.4339 0.0910 ( 5066 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4816 -1.4816 -1.4815 -1.4815 -0.9119 -0.9119 -0.9117 -0.9117 0.7168 0.7168 0.7169 0.7169 0.9111 0.9111 0.9112 0.9112 2.0195 2.0195 2.0195 2.0195 2.2591 2.2591 2.2591 2.2591 2.7471 2.7471 2.7474 2.7474 3.4769 3.4769 3.4773 3.4773 4.8385 4.8385 4.8388 4.8388 5.3341 5.3341 5.3344 5.3344 6.9685 6.9685 6.9687 6.9687 10.3342 10.3342 10.3342 10.3342 10.7524 10.7524 k = 0.0000 0.4339 0.1011 ( 5066 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4816 -1.4816 -1.4814 -1.4814 -0.9119 -0.9119 -0.9117 -0.9117 0.7177 0.7177 0.7177 0.7177 0.9085 0.9085 0.9086 0.9086 2.0225 2.0225 2.0225 2.0225 2.2604 2.2604 2.2605 2.2605 2.7453 2.7453 2.7456 2.7456 3.4766 3.4766 3.4769 3.4769 4.8364 4.8364 4.8367 4.8367 5.3346 5.3346 5.3348 5.3348 6.9685 6.9685 6.9687 6.9687 10.3644 10.3644 10.3644 10.3644 10.7224 10.7224 k = 0.0000 0.4339 0.1112 ( 5070 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4815 -1.4815 -1.4814 -1.4814 -0.9119 -0.9119 -0.9117 -0.9117 0.7185 0.7185 0.7185 0.7185 0.9063 0.9063 0.9064 0.9064 2.0251 2.0251 2.0252 2.0252 2.2617 2.2617 2.2617 2.2617 2.7437 2.7437 2.7440 2.7440 3.4762 3.4762 3.4766 3.4766 4.8345 4.8345 4.8348 4.8348 5.3349 5.3349 5.3352 5.3352 6.9685 6.9685 6.9687 6.9687 10.3962 10.3962 10.3962 10.3962 10.6908 10.6909 k = 0.0000 0.4339 0.1213 ( 5068 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4815 -1.4815 -1.4813 -1.4813 -0.9119 -0.9119 -0.9117 -0.9117 0.7191 0.7191 0.7191 0.7191 0.9044 0.9044 0.9045 0.9045 2.0273 2.0273 2.0273 2.0273 2.2627 2.2627 2.2627 2.2627 2.7423 2.7423 2.7426 2.7426 3.4760 3.4760 3.4763 3.4763 4.8330 4.8330 4.8333 4.8333 5.3352 5.3352 5.3355 5.3355 6.9686 6.9686 6.9688 6.9688 10.4289 10.4289 10.4290 10.4290 10.6583 10.6583 k = 0.0000 0.4339 0.1314 ( 5076 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4815 -1.4815 -1.4813 -1.4813 -0.9119 -0.9119 -0.9117 -0.9117 0.7196 0.7196 0.7196 0.7196 0.9030 0.9030 0.9031 0.9031 2.0289 2.0289 2.0289 2.0289 2.2635 2.2635 2.2635 2.2635 2.7413 2.7413 2.7416 2.7416 3.4758 3.4758 3.4761 3.4761 4.8319 4.8319 4.8322 4.8322 5.3355 5.3355 5.3357 5.3357 6.9686 6.9686 6.9688 6.9688 10.4614 10.4614 10.4614 10.4614 10.6260 10.6260 k = 0.0000 0.4339 0.1415 ( 5076 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4814 -1.4814 -1.4813 -1.4813 -0.9119 -0.9119 -0.9117 -0.9117 0.7199 0.7199 0.7199 0.7199 0.9021 0.9021 0.9022 0.9022 2.0299 2.0299 2.0299 2.0299 2.2640 2.2640 2.2640 2.2640 2.7406 2.7406 2.7409 2.7409 3.4757 3.4757 3.4760 3.4760 4.8312 4.8312 4.8315 4.8315 5.3356 5.3356 5.3359 5.3359 6.9686 6.9686 6.9688 6.9688 10.4905 10.4905 10.4906 10.4906 10.5969 10.5969 k = 0.0000 0.4339 0.1516 ( 5076 PWs) bands (ev): -11.0919 -11.0919 -11.0918 -11.0918 -10.3638 -10.3638 -10.3638 -10.3638 -1.4814 -1.4814 -1.4813 -1.4813 -0.9119 -0.9119 -0.9117 -0.9117 0.7200 0.7200 0.7201 0.7201 0.9018 0.9018 0.9019 0.9019 2.0302 2.0302 2.0303 2.0303 2.2641 2.2641 2.2642 2.2642 2.7404 2.7404 2.7407 2.7407 3.4756 3.4756 3.4759 3.4759 4.8310 4.8310 4.8313 4.8313 5.3357 5.3357 5.3359 5.3359 6.9686 6.9686 6.9688 6.9688 10.5050 10.5050 10.5052 10.5052 10.5824 10.5824 k = 0.5000-0.0000 0.1516 ( 5068 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8720 -1.8720 -1.8644 -1.8644 -0.0016 -0.0016 0.0214 0.0214 0.0447 0.0447 0.0557 0.0557 0.8740 0.8740 0.9430 0.9430 1.3243 1.3243 1.3341 1.3341 2.6361 2.6361 2.6436 2.6436 3.0054 3.0054 3.0093 3.0093 3.4844 3.4844 3.4958 3.4958 4.3496 4.3496 4.3500 4.3500 4.9332 4.9332 4.9767 4.9767 7.2707 7.2707 7.3041 7.3041 9.8455 9.8455 9.8503 9.8503 11.8711 11.8711 k = 0.5000-0.0000 0.1415 ( 5066 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8720 -1.8720 -1.8644 -1.8644 -0.0197 -0.0197 0.0203 0.0203 0.0406 0.0406 0.0810 0.0810 0.8728 0.8728 0.9418 0.9418 1.3244 1.3244 1.3341 1.3341 2.6360 2.6360 2.6435 2.6435 3.0055 3.0055 3.0094 3.0094 3.4845 3.4845 3.4958 3.4958 4.3497 4.3497 4.3501 4.3501 4.9333 4.9333 4.9766 4.9766 7.2708 7.2708 7.3041 7.3041 9.8444 9.8444 9.8491 9.8491 11.8755 11.8755 k = 0.5000-0.0000 0.1314 ( 5066 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8718 -1.8718 -1.8643 -1.8643 -0.0448 -0.0448 -0.0077 -0.0077 0.0689 0.0689 0.1118 0.1118 0.8694 0.8694 0.9380 0.9380 1.3248 1.3248 1.3343 1.3343 2.6358 2.6358 2.6432 2.6432 3.0057 3.0057 3.0096 3.0096 3.4846 3.4846 3.4958 3.4958 4.3499 4.3499 4.3503 4.3503 4.9336 4.9336 4.9762 4.9762 7.2713 7.2713 7.3040 7.3040 9.8409 9.8409 9.8457 9.8457 11.8886 11.8886 k = 0.5000-0.0000 0.1213 ( 5062 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8714 -1.8714 -1.8641 -1.8641 -0.0691 -0.0691 -0.0346 -0.0346 0.0986 0.0986 0.1432 0.1432 0.8637 0.8637 0.9318 0.9318 1.3254 1.3254 1.3347 1.3347 2.6356 2.6356 2.6427 2.6427 3.0062 3.0062 3.0099 3.0099 3.4848 3.4848 3.4957 3.4957 4.3503 4.3503 4.3507 4.3507 4.9342 4.9342 4.9756 4.9756 7.2720 7.2720 7.3038 7.3038 9.8354 9.8354 9.8403 9.8403 11.9101 11.9101 k = 0.5000-0.0000 0.1112 ( 5056 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8709 -1.8709 -1.8639 -1.8639 -0.0920 -0.0920 -0.0601 -0.0601 0.1291 0.1291 0.1749 0.1749 0.8559 0.8559 0.9232 0.9232 1.3262 1.3262 1.3351 1.3351 2.6352 2.6352 2.6420 2.6420 3.0067 3.0067 3.0104 3.0104 3.4851 3.4851 3.4955 3.4955 4.3509 4.3509 4.3513 4.3513 4.9350 4.9350 4.9748 4.9748 7.2730 7.2730 7.3036 7.3036 9.8282 9.8282 9.8331 9.8331 11.9396 11.9396 k = 0.5000-0.0000 0.1011 ( 5078 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4232 -10.4232 -1.8703 -1.8703 -1.8637 -1.8637 -0.1134 -0.1134 -0.0841 -0.0841 0.1599 0.1599 0.2067 0.2067 0.8463 0.8463 0.9124 0.9124 1.3271 1.3271 1.3355 1.3355 2.6348 2.6348 2.6411 2.6411 3.0074 3.0074 3.0109 3.0109 3.4855 3.4855 3.4953 3.4953 4.3516 4.3516 4.3519 4.3519 4.9360 4.9360 4.9737 4.9737 7.2743 7.2743 7.3033 7.3033 9.8195 9.8195 9.8245 9.8245 11.9766 11.9766 k = 0.5000-0.0000 0.0910 ( 5074 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8696 -1.8696 -1.8634 -1.8634 -0.1330 -0.1330 -0.1064 -0.1064 0.1908 0.1908 0.2381 0.2381 0.8351 0.8351 0.8996 0.8996 1.3282 1.3282 1.3360 1.3360 2.6343 2.6343 2.6402 2.6402 3.0081 3.0081 3.0115 3.0115 3.4859 3.4859 3.4951 3.4951 4.3523 4.3523 4.3527 4.3527 4.9371 4.9371 4.9725 4.9725 7.2758 7.2758 7.3028 7.3028 9.8099 9.8099 9.8148 9.8148 12.0204 12.0204 k = 0.5000-0.0000 0.0808 ( 5070 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8689 -1.8689 -1.8632 -1.8632 -0.1508 -0.1508 -0.1269 -0.1269 0.2216 0.2216 0.2687 0.2687 0.8226 0.8226 0.8851 0.8851 1.3293 1.3293 1.3365 1.3365 2.6339 2.6339 2.6391 2.6391 3.0090 3.0090 3.0121 3.0121 3.4864 3.4864 3.4948 3.4948 4.3531 4.3531 4.3535 4.3535 4.9385 4.9385 4.9710 4.9710 7.2774 7.2774 7.3023 7.3023 9.7999 9.7999 9.8046 9.8046 12.0703 12.0703 k = 0.5000-0.0000 0.0707 ( 5074 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8681 -1.8681 -1.8629 -1.8629 -0.1665 -0.1665 -0.1454 -0.1454 0.2519 0.2519 0.2982 0.2982 0.8093 0.8093 0.8691 0.8691 1.3305 1.3305 1.3370 1.3370 2.6334 2.6334 2.6381 2.6381 3.0098 3.0098 3.0127 3.0127 3.4870 3.4870 3.4945 3.4945 4.3540 4.3540 4.3543 4.3543 4.9401 4.9401 4.9693 4.9693 7.2792 7.2792 7.3016 7.3016 9.7898 9.7898 9.7943 9.7943 12.1253 12.1253 k = 0.5000-0.0000 0.0606 ( 5070 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8672 -1.8672 -1.8627 -1.8627 -0.1801 -0.1801 -0.1619 -0.1619 0.2813 0.2813 0.3258 0.3258 0.7959 0.7959 0.8519 0.8519 1.3316 1.3316 1.3373 1.3373 2.6329 2.6329 2.6370 2.6370 3.0107 3.0107 3.0133 3.0133 3.4876 3.4876 3.4942 3.4942 4.3548 4.3548 4.3551 4.3551 4.9418 4.9418 4.9675 4.9675 7.2812 7.2812 7.3008 7.3008 9.7801 9.7801 9.7843 9.7843 12.1845 12.1845 k = 0.5000-0.0000 0.0505 ( 5074 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8664 -1.8664 -1.8626 -1.8626 -0.1915 -0.1915 -0.1763 -0.1763 0.3092 0.3092 0.3509 0.3509 0.7830 0.7830 0.8342 0.8342 1.3328 1.3328 1.3376 1.3376 2.6326 2.6326 2.6360 2.6360 3.0116 3.0116 3.0138 3.0138 3.4882 3.4882 3.4938 3.4938 4.3555 4.3555 4.3558 4.3558 4.9437 4.9437 4.9656 4.9656 7.2832 7.2832 7.2999 7.2999 9.7713 9.7713 9.7750 9.7750 12.2465 12.2465 k = 0.5000-0.0000 0.0404 ( 5082 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8656 -1.8656 -1.8625 -1.8625 -0.2007 -0.2007 -0.1884 -0.1884 0.3352 0.3352 0.3724 0.3724 0.7716 0.7716 0.8164 0.8164 1.3338 1.3338 1.3378 1.3378 2.6323 2.6323 2.6350 2.6350 3.0123 3.0123 3.0142 3.0142 3.4888 3.4888 3.4934 3.4934 4.3562 4.3562 4.3565 4.3565 4.9457 4.9457 4.9635 4.9635 7.2852 7.2852 7.2988 7.2988 9.7637 9.7637 9.7668 9.7668 12.3097 12.3097 k = 0.5000-0.0000 0.0303 ( 5086 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8649 -1.8649 -1.8625 -1.8625 -0.2076 -0.2076 -0.1983 -0.1983 0.3585 0.3585 0.3893 0.3893 0.7628 0.7628 0.7993 0.7993 1.3348 1.3348 1.3378 1.3378 2.6321 2.6321 2.6342 2.6342 3.0130 3.0130 3.0144 3.0144 3.4894 3.4894 3.4929 3.4929 4.3567 4.3567 4.3570 4.3570 4.9478 4.9478 4.9613 4.9613 7.2872 7.2872 7.2976 7.2976 9.7576 9.7576 9.7600 9.7600 12.3723 12.3723 k = 0.5000-0.0000 0.0202 ( 5086 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4233 -10.4233 -1.8643 -1.8643 -1.8627 -1.8627 -0.2120 -0.2120 -0.2059 -0.2059 0.3782 0.3782 0.4004 0.4004 0.7578 0.7578 0.7838 0.7838 1.3357 1.3357 1.3377 1.3377 2.6321 2.6321 2.6335 2.6335 3.0136 3.0136 3.0146 3.0146 3.4900 3.4900 3.4924 3.4924 4.3571 4.3571 4.3575 4.3575 4.9500 4.9500 4.9591 4.9591 7.2892 7.2892 7.2962 7.2962 9.7532 9.7532 9.7548 9.7548 12.4312 12.4312 k = 0.5000-0.0000 0.0101 ( 5090 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4234 -10.4234 -1.8637 -1.8637 -1.8629 -1.8629 -0.2141 -0.2141 -0.2110 -0.2110 0.3932 0.3932 0.4049 0.4049 0.7573 0.7573 0.7709 0.7709 1.3364 1.3364 1.3374 1.3374 2.6322 2.6322 2.6329 2.6329 3.0140 3.0140 3.0146 3.0146 3.4906 3.4906 3.4918 3.4918 4.3574 4.3574 4.3577 4.3577 4.9522 4.9522 4.9568 4.9568 7.2911 7.2911 7.2946 7.2946 9.7506 9.7506 9.7515 9.7515 12.4824 12.4824 k = 0.5000-0.0000-0.0000 ( 5082 PWs) bands (ev): -10.5190 -10.5190 -10.5190 -10.5190 -10.4234 -10.4234 -10.4234 -10.4234 -1.8633 -1.8633 -1.8632 -1.8632 -0.2138 -0.2138 -0.2137 -0.2137 0.4023 0.4023 0.4023 0.4023 0.7618 0.7618 0.7618 0.7618 1.3369 1.3369 1.3370 1.3370 2.6325 2.6325 2.6325 2.6325 3.0142 3.0142 3.0145 3.0145 3.4911 3.4911 3.4914 3.4914 4.3575 4.3575 4.3578 4.3578 4.9544 4.9544 4.9546 4.9546 7.2928 7.2928 7.2930 7.2930 9.7500 9.7500 9.7501 9.7501 12.5208 12.5209 k = 0.5000 0.4339-0.0000 ( 5092 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6807 -1.6807 -1.6759 -1.6759 -0.0323 -0.0323 -0.0296 -0.0296 0.1557 0.1557 0.2375 0.2375 0.3685 0.3685 0.3703 0.3703 0.6832 0.6832 0.7628 0.7628 2.3503 2.3503 2.3524 2.3524 3.2076 3.2076 3.2222 3.2222 3.5315 3.5315 3.5344 3.5344 4.8640 4.8640 4.9153 4.9153 5.2777 5.2777 5.3357 5.3357 7.2329 7.2329 7.2491 7.2491 9.2573 9.2573 9.3199 9.3199 9.8158 9.8158 k = 0.5000 0.4339 0.0101 ( 5096 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6806 -1.6806 -1.6759 -1.6759 -0.0329 -0.0329 -0.0301 -0.0301 0.1560 0.1560 0.2365 0.2365 0.3701 0.3701 0.3712 0.3712 0.6831 0.6831 0.7625 0.7625 2.3500 2.3500 2.3521 2.3521 3.2078 3.2078 3.2222 3.2222 3.5315 3.5315 3.5344 3.5344 4.8643 4.8643 4.9154 4.9154 5.2779 5.2779 5.3356 5.3356 7.2324 7.2324 7.2484 7.2484 9.2587 9.2587 9.3210 9.3210 9.8158 9.8158 k = 0.5000 0.4339 0.0202 ( 5088 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6805 -1.6805 -1.6759 -1.6759 -0.0346 -0.0346 -0.0315 -0.0315 0.1567 0.1567 0.2339 0.2339 0.3737 0.3737 0.3749 0.3749 0.6828 0.6828 0.7614 0.7614 2.3490 2.3490 2.3510 2.3510 3.2082 3.2082 3.2225 3.2225 3.5316 3.5316 3.5344 3.5344 4.8652 4.8652 4.9155 4.9155 5.2784 5.2784 5.3352 5.3352 7.2308 7.2308 7.2466 7.2466 9.2628 9.2628 9.3242 9.3242 9.8158 9.8158 k = 0.5000 0.4339 0.0303 ( 5096 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6804 -1.6804 -1.6759 -1.6759 -0.0373 -0.0373 -0.0338 -0.0338 0.1578 0.1578 0.2299 0.2299 0.3777 0.3777 0.3822 0.3822 0.6823 0.6823 0.7597 0.7597 2.3474 2.3474 2.3494 2.3494 3.2089 3.2089 3.2228 3.2228 3.5316 3.5316 3.5344 3.5344 4.8667 4.8667 4.9158 4.9158 5.2793 5.2793 5.3347 5.3347 7.2282 7.2282 7.2436 7.2436 9.2695 9.2695 9.3294 9.3294 9.8157 9.8157 k = 0.5000 0.4339 0.0404 ( 5096 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2838 -10.2838 -1.6802 -1.6802 -1.6758 -1.6758 -0.0409 -0.0409 -0.0369 -0.0369 0.1592 0.1592 0.2253 0.2253 0.3832 0.3832 0.3913 0.3913 0.6817 0.6817 0.7572 0.7572 2.3452 2.3452 2.3471 2.3471 3.2099 3.2099 3.2233 3.2233 3.5318 3.5318 3.5344 3.5344 4.8688 4.8688 4.9160 4.9160 5.2806 5.2806 5.3338 5.3338 7.2249 7.2249 7.2397 7.2397 9.2785 9.2785 9.3363 9.3363 9.8156 9.8156 k = 0.5000 0.4339 0.0505 ( 5104 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2846 -10.2846 -10.2839 -10.2839 -1.6799 -1.6799 -1.6758 -1.6758 -0.0450 -0.0450 -0.0406 -0.0406 0.1609 0.1609 0.2202 0.2202 0.3898 0.3898 0.4016 0.4016 0.6811 0.6811 0.7542 0.7542 2.3425 2.3425 2.3444 2.3444 3.2111 3.2111 3.2238 3.2238 3.5319 3.5319 3.5343 3.5343 4.8714 4.8714 4.9163 4.9163 5.2821 5.2821 5.3328 5.3328 7.2208 7.2208 7.2349 7.2349 9.2895 9.2895 9.3446 9.3446 9.8154 9.8154 k = 0.5000 0.4339 0.0606 ( 5112 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2845 -10.2845 -10.2839 -10.2839 -1.6796 -1.6796 -1.6758 -1.6758 -0.0496 -0.0496 -0.0447 -0.0447 0.1628 0.1628 0.2152 0.2152 0.3974 0.3974 0.4124 0.4124 0.6805 0.6805 0.7504 0.7504 2.3395 2.3395 2.3413 2.3413 3.2124 3.2124 3.2244 3.2244 3.5320 3.5320 3.5343 3.5343 4.8744 4.8744 4.9164 4.9164 5.2840 5.2840 5.3315 5.3315 7.2164 7.2164 7.2295 7.2295 9.3021 9.3021 9.3538 9.3538 9.8153 9.8153 k = 0.5000 0.4339 0.0707 ( 5116 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2845 -10.2845 -10.2839 -10.2839 -1.6793 -1.6793 -1.6757 -1.6757 -0.0542 -0.0542 -0.0492 -0.0492 0.1648 0.1648 0.2104 0.2104 0.4057 0.4057 0.4232 0.4232 0.6802 0.6802 0.7461 0.7461 2.3363 2.3363 2.3380 2.3380 3.2139 3.2139 3.2250 3.2250 3.5322 3.5322 3.5342 3.5342 4.8777 4.8777 4.9165 4.9165 5.2862 5.2862 5.3300 5.3300 7.2116 7.2116 7.2237 7.2237 9.3157 9.3157 9.3636 9.3636 9.8152 9.8152 k = 0.5000 0.4339 0.0808 ( 5116 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2845 -10.2845 -10.2839 -10.2839 -1.6789 -1.6789 -1.6757 -1.6757 -0.0587 -0.0587 -0.0537 -0.0537 0.1669 0.1669 0.2059 0.2059 0.4144 0.4144 0.4334 0.4334 0.6801 0.6801 0.7413 0.7413 2.3331 2.3331 2.3346 2.3346 3.2155 3.2155 3.2255 3.2255 3.5324 3.5324 3.5341 3.5341 4.8813 4.8813 4.9163 4.9163 5.2886 5.2886 5.3282 5.3282 7.2069 7.2069 7.2177 7.2177 9.3299 9.3299 9.3733 9.3733 9.8152 9.8152 k = 0.5000 0.4339 0.0910 ( 5124 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2845 -10.2845 -10.2840 -10.2840 -1.6785 -1.6785 -1.6757 -1.6757 -0.0629 -0.0629 -0.0581 -0.0581 0.1690 0.1690 0.2017 0.2017 0.4232 0.4232 0.4427 0.4427 0.6806 0.6806 0.7359 0.7359 2.3299 2.3299 2.3312 2.3312 3.2171 3.2171 3.2260 3.2260 3.5325 3.5325 3.5341 3.5341 4.8850 4.8850 4.9159 4.9159 5.2912 5.2912 5.3262 5.3262 7.2023 7.2023 7.2119 7.2119 9.3442 9.3442 9.3825 9.3825 9.8152 9.8152 k = 0.5000 0.4339 0.1011 ( 5116 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2844 -10.2844 -10.2840 -10.2840 -1.6781 -1.6781 -1.6757 -1.6757 -0.0666 -0.0666 -0.0623 -0.0623 0.1712 0.1712 0.1979 0.1979 0.4318 0.4318 0.4507 0.4507 0.6817 0.6817 0.7302 0.7302 2.3270 2.3270 2.3281 2.3281 3.2187 3.2187 3.2263 3.2263 3.5327 3.5327 3.5340 3.5340 4.8888 4.8888 4.9152 4.9152 5.2941 5.2941 5.3239 5.3239 7.1982 7.1982 7.2064 7.2064 9.3579 9.3579 9.3908 9.3908 9.8152 9.8152 k = 0.5000 0.4339 0.1112 ( 5112 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2844 -10.2844 -10.2841 -10.2841 -1.6778 -1.6778 -1.6758 -1.6758 -0.0698 -0.0698 -0.0661 -0.0661 0.1734 0.1734 0.1944 0.1944 0.4400 0.4400 0.4570 0.4570 0.6836 0.6836 0.7241 0.7241 2.3244 2.3244 2.3253 2.3253 3.2203 3.2203 3.2265 3.2265 3.5328 3.5328 3.5339 3.5339 4.8927 4.8927 4.9142 4.9142 5.2971 5.2971 5.3214 5.3214 7.1947 7.1947 7.2014 7.2014 9.3707 9.3707 9.3975 9.3975 9.8154 9.8154 k = 0.5000 0.4339 0.1213 ( 5116 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2843 -10.2843 -10.2841 -10.2841 -1.6774 -1.6774 -1.6759 -1.6759 -0.0722 -0.0722 -0.0693 -0.0693 0.1757 0.1757 0.1912 0.1912 0.4474 0.4474 0.4614 0.4614 0.6863 0.6863 0.7178 0.7178 2.3223 2.3223 2.3230 2.3230 3.2217 3.2217 3.2265 3.2265 3.5330 3.5330 3.5338 3.5338 4.8964 4.8964 4.9128 4.9128 5.3002 5.3002 5.3188 5.3188 7.1920 7.1920 7.1971 7.1971 9.3819 9.3819 9.4024 9.4024 9.8156 9.8156 k = 0.5000 0.4339 0.1314 ( 5112 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2843 -10.2843 -10.2841 -10.2841 -1.6771 -1.6771 -1.6761 -1.6761 -0.0738 -0.0738 -0.0718 -0.0718 0.1780 0.1780 0.1882 0.1882 0.4538 0.4538 0.4637 0.4637 0.6900 0.6900 0.7116 0.7116 2.3207 2.3207 2.3212 2.3212 3.2230 3.2230 3.2262 3.2262 3.5331 3.5331 3.5337 3.5337 4.8999 4.8999 4.9109 4.9109 5.3034 5.3034 5.3159 5.3159 7.1903 7.1903 7.1937 7.1937 9.3913 9.3913 9.4052 9.4052 9.8159 9.8159 k = 0.5000 0.4339 0.1415 ( 5116 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2843 -10.2843 -10.2842 -10.2842 -1.6768 -1.6768 -1.6762 -1.6762 -0.0746 -0.0746 -0.0735 -0.0735 0.1804 0.1804 0.1855 0.1855 0.4588 0.4588 0.4640 0.4640 0.6945 0.6945 0.7055 0.7055 2.3198 2.3198 2.3200 2.3200 3.2241 3.2241 3.2258 3.2258 3.5332 3.5332 3.5336 3.5336 4.9032 4.9032 4.9087 4.9087 5.3066 5.3066 5.3129 5.3129 7.1895 7.1895 7.1912 7.1912 9.3985 9.3985 9.4055 9.4055 9.8164 9.8164 k = 0.5000 0.4339 0.1516 ( 5112 PWs) bands (ev): -10.4860 -10.4860 -10.4859 -10.4859 -10.2842 -10.2842 -10.2842 -10.2842 -1.6765 -1.6765 -1.6764 -1.6764 -0.0745 -0.0745 -0.0744 -0.0744 0.1829 0.1829 0.1829 0.1829 0.4623 0.4623 0.4624 0.4624 0.6997 0.6997 0.6997 0.6997 2.3196 2.3196 2.3196 2.3196 3.2249 3.2249 3.2252 3.2252 3.5333 3.5333 3.5336 3.5336 4.9060 4.9060 4.9063 4.9063 5.3097 5.3097 5.3100 5.3100 7.1897 7.1897 7.1899 7.1899 9.4032 9.4032 9.4033 9.4033 9.8169 9.8169 Writing output data file PtCl2.save init_run : 0.40s CPU 0.80s WALL ( 1 calls) electrons : 302.27s CPU 307.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 302.27s CPU 307.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.13s WALL ( 424 calls) cegterg : 283.13s CPU 286.92s WALL ( 880 calls) Called by sum_band: Called by *egterg: h_psi : 145.14s CPU 147.83s WALL ( 13849 calls) s_psi : 15.81s CPU 16.14s WALL ( 13849 calls) g_psi : 0.60s CPU 0.59s WALL ( 12545 calls) cdiaghg : 95.72s CPU 96.91s WALL ( 12969 calls) cegterg:over : 15.05s CPU 14.85s WALL ( 12545 calls) cegterg:upda : 12.64s CPU 12.88s WALL ( 12545 calls) cegterg:last : 6.87s CPU 6.92s WALL ( 2152 calls) cdiaghg:chol : 5.35s CPU 5.52s WALL ( 12969 calls) cdiaghg:inve : 3.54s CPU 3.70s WALL ( 12969 calls) cdiaghg:para : 5.58s CPU 5.75s WALL ( 25938 calls) Called by h_psi: h_psi:vloc : 110.32s CPU 112.79s WALL ( 13849 calls) h_psi:vnl : 34.30s CPU 34.47s WALL ( 13849 calls) add_vuspsi : 19.13s CPU 19.10s WALL ( 13849 calls) General routines calbec : 15.13s CPU 15.33s WALL ( 13849 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.16s CPU 102.48s WALL ( 1468920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.36s WALL ( 848 calls) Parallel routines fft_scatter : 41.90s CPU 42.98s WALL ( 1468943 calls) PWSCF : 5m27.60s CPU 5m59.29s WALL This run was terminated on: 17: 5:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=