Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:14:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeSb2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 30 9 1629 1076 175 Max 40 31 10 1636 1092 181 Sum 1279 973 293 52255 34609 5673 bravais-lattice index = 14 lattice parameter (alat) = 6.0420 a.u. unit-cell volume = 822.7641 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.042021 celldm(2)= 1.824289 celldm(3)= 2.044725 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 1.824289 0.000000 ) a(3) = ( 0.000000 0.000000 2.044725 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.548159 -0.000000 ) b(3) = ( 0.000000 0.000000 0.489063 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.9121446 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0223626 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.9121446 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0223626 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 420 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0101511 -0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0203022 -0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.0304533 -0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.0406043 -0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.0507554 -0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.0609065 -0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.0710576 -0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.0812087 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.0913598 -0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.1015109 -0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.1116620 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.1218130 -0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.1319641 -0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.1421152 -0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.1522663 -0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.1624174 -0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.1725685 -0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.1827196 -0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.1928706 -0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.2030217 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.2131728 -0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.2233239 -0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.2334750 -0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.2436261 -0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.2537772 -0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.2639283 -0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.2740793 -0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.2740793 -0.0000000), wk = 0.0023810 k( 81) = ( 0.4900000 0.2740793 -0.0000000), wk = 0.0023810 k( 82) = ( 0.4800000 0.2740793 -0.0000000), wk = 0.0023810 k( 83) = ( 0.4700000 0.2740793 -0.0000000), wk = 0.0023810 k( 84) = ( 0.4600000 0.2740793 -0.0000000), wk = 0.0023810 k( 85) = ( 0.4500000 0.2740793 -0.0000000), wk = 0.0023810 k( 86) = ( 0.4400000 0.2740793 -0.0000000), wk = 0.0023810 k( 87) = ( 0.4300000 0.2740793 -0.0000000), wk = 0.0023810 k( 88) = ( 0.4200000 0.2740793 -0.0000000), wk = 0.0023810 k( 89) = ( 0.4100000 0.2740793 -0.0000000), wk = 0.0023810 k( 90) = ( 0.4000000 0.2740793 -0.0000000), wk = 0.0023810 k( 91) = ( 0.3900000 0.2740793 -0.0000000), wk = 0.0023810 k( 92) = ( 0.3800000 0.2740793 -0.0000000), wk = 0.0023810 k( 93) = ( 0.3700000 0.2740793 -0.0000000), wk = 0.0023810 k( 94) = ( 0.3600000 0.2740793 -0.0000000), wk = 0.0023810 k( 95) = ( 0.3500000 0.2740793 -0.0000000), wk = 0.0023810 k( 96) = ( 0.3400000 0.2740793 -0.0000000), wk = 0.0023810 k( 97) = ( 0.3300000 0.2740793 -0.0000000), wk = 0.0023810 k( 98) = ( 0.3200000 0.2740793 -0.0000000), wk = 0.0023810 k( 99) = ( 0.3100000 0.2740793 -0.0000000), wk = 0.0023810 k( 100) = ( 0.3000000 0.2740793 -0.0000000), wk = 0.0023810 k( 101) = ( 0.2900000 0.2740793 -0.0000000), wk = 0.0023810 k( 102) = ( 0.2800000 0.2740793 -0.0000000), wk = 0.0023810 k( 103) = ( 0.2700000 0.2740793 -0.0000000), wk = 0.0023810 k( 104) = ( 0.2600000 0.2740793 -0.0000000), wk = 0.0023810 k( 105) = ( 0.2500000 0.2740793 -0.0000000), wk = 0.0023810 k( 106) = ( 0.2400000 0.2740793 -0.0000000), wk = 0.0023810 k( 107) = ( 0.2300000 0.2740793 -0.0000000), wk = 0.0023810 k( 108) = ( 0.2200000 0.2740793 -0.0000000), wk = 0.0023810 k( 109) = ( 0.2100000 0.2740793 -0.0000000), wk = 0.0023810 k( 110) = ( 0.2000000 0.2740793 -0.0000000), wk = 0.0023810 k( 111) = ( 0.1900000 0.2740793 -0.0000000), wk = 0.0023810 k( 112) = ( 0.1800000 0.2740793 -0.0000000), wk = 0.0023810 k( 113) = ( 0.1700000 0.2740793 -0.0000000), wk = 0.0023810 k( 114) = ( 0.1600000 0.2740793 -0.0000000), wk = 0.0023810 k( 115) = ( 0.1500000 0.2740793 -0.0000000), wk = 0.0023810 k( 116) = ( 0.1400000 0.2740793 -0.0000000), wk = 0.0023810 k( 117) = ( 0.1300000 0.2740793 -0.0000000), wk = 0.0023810 k( 118) = ( 0.1200000 0.2740793 -0.0000000), wk = 0.0023810 k( 119) = ( 0.1100000 0.2740793 -0.0000000), wk = 0.0023810 k( 120) = ( 0.1000000 0.2740793 -0.0000000), wk = 0.0023810 k( 121) = ( 0.0900000 0.2740793 -0.0000000), wk = 0.0023810 k( 122) = ( 0.0800000 0.2740793 -0.0000000), wk = 0.0023810 k( 123) = ( 0.0700000 0.2740793 -0.0000000), wk = 0.0023810 k( 124) = ( 0.0600000 0.2740793 -0.0000000), wk = 0.0023810 k( 125) = ( 0.0500000 0.2740793 -0.0000000), wk = 0.0023810 k( 126) = ( 0.0400000 0.2740793 -0.0000000), wk = 0.0023810 k( 127) = ( 0.0300000 0.2740793 -0.0000000), wk = 0.0023810 k( 128) = ( 0.0200000 0.2740793 -0.0000000), wk = 0.0023810 k( 129) = ( 0.0100000 0.2740793 -0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.2740793 -0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.2740793 -0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.2639283 -0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.2537772 -0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.2436261 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.2334750 -0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.2233239 -0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.2131728 -0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.2030217 -0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.1928706 -0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.1827196 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.1725685 -0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.1624174 -0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.1522663 -0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.1421152 -0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.1319641 -0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.1218130 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.1116620 -0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.1015109 -0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.0913598 -0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.0812087 -0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.0710576 -0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.0609065 -0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.0507554 -0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.0406043 -0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.0304533 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.0203022 -0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.0101511 -0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.0000000 0.0097813), wk = 0.0023810 k( 161) = ( 0.0000000 0.0000000 0.0195625), wk = 0.0023810 k( 162) = ( 0.0000000 0.0000000 0.0293438), wk = 0.0023810 k( 163) = ( 0.0000000 0.0000000 0.0391251), wk = 0.0023810 k( 164) = ( 0.0000000 0.0000000 0.0489063), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.0586876), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.0684689), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.0782501), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.0880314), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.0978127), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.1075939), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.1173752), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.1271564), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.1369377), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.1467190), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.1565002), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.1662815), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.1760628), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.1858440), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.1956253), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.2054066), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.2151878), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.2249691), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.2347504), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.2445316), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.2445316), wk = 0.0023810 k( 186) = ( 0.0100000 -0.0000000 0.2445316), wk = 0.0023810 k( 187) = ( 0.0200000 -0.0000000 0.2445316), wk = 0.0023810 k( 188) = ( 0.0300000 -0.0000000 0.2445316), wk = 0.0023810 k( 189) = ( 0.0400000 -0.0000000 0.2445316), wk = 0.0023810 k( 190) = ( 0.0500000 -0.0000000 0.2445316), wk = 0.0023810 k( 191) = ( 0.0600000 -0.0000000 0.2445316), wk = 0.0023810 k( 192) = ( 0.0700000 -0.0000000 0.2445316), wk = 0.0023810 k( 193) = ( 0.0800000 -0.0000000 0.2445316), wk = 0.0023810 k( 194) = ( 0.0900000 -0.0000000 0.2445316), wk = 0.0023810 k( 195) = ( 0.1000000 -0.0000000 0.2445316), wk = 0.0023810 k( 196) = ( 0.1100000 -0.0000000 0.2445316), wk = 0.0023810 k( 197) = ( 0.1200000 -0.0000000 0.2445316), wk = 0.0023810 k( 198) = ( 0.1300000 -0.0000000 0.2445316), wk = 0.0023810 k( 199) = ( 0.1400000 -0.0000000 0.2445316), wk = 0.0023810 k( 200) = ( 0.1500000 -0.0000000 0.2445316), wk = 0.0023810 k( 201) = ( 0.1600000 -0.0000000 0.2445316), wk = 0.0023810 k( 202) = ( 0.1700000 -0.0000000 0.2445316), wk = 0.0023810 k( 203) = ( 0.1800000 -0.0000000 0.2445316), wk = 0.0023810 k( 204) = ( 0.1900000 -0.0000000 0.2445316), wk = 0.0023810 k( 205) = ( 0.2000000 -0.0000000 0.2445316), wk = 0.0023810 k( 206) = ( 0.2100000 -0.0000000 0.2445316), wk = 0.0023810 k( 207) = ( 0.2200000 -0.0000000 0.2445316), wk = 0.0023810 k( 208) = ( 0.2300000 -0.0000000 0.2445316), wk = 0.0023810 k( 209) = ( 0.2400000 -0.0000000 0.2445316), wk = 0.0023810 k( 210) = ( 0.2500000 -0.0000000 0.2445316), wk = 0.0023810 k( 211) = ( 0.2600000 -0.0000000 0.2445316), wk = 0.0023810 k( 212) = ( 0.2700000 -0.0000000 0.2445316), wk = 0.0023810 k( 213) = ( 0.2800000 -0.0000000 0.2445316), wk = 0.0023810 k( 214) = ( 0.2900000 -0.0000000 0.2445316), wk = 0.0023810 k( 215) = ( 0.3000000 -0.0000000 0.2445316), wk = 0.0023810 k( 216) = ( 0.3100000 -0.0000000 0.2445316), wk = 0.0023810 k( 217) = ( 0.3200000 -0.0000000 0.2445316), wk = 0.0023810 k( 218) = ( 0.3300000 -0.0000000 0.2445316), wk = 0.0023810 k( 219) = ( 0.3400000 -0.0000000 0.2445316), wk = 0.0023810 k( 220) = ( 0.3500000 -0.0000000 0.2445316), wk = 0.0023810 k( 221) = ( 0.3600000 -0.0000000 0.2445316), wk = 0.0023810 k( 222) = ( 0.3700000 -0.0000000 0.2445316), wk = 0.0023810 k( 223) = ( 0.3800000 -0.0000000 0.2445316), wk = 0.0023810 k( 224) = ( 0.3900000 -0.0000000 0.2445316), wk = 0.0023810 k( 225) = ( 0.4000000 -0.0000000 0.2445316), wk = 0.0023810 k( 226) = ( 0.4100000 -0.0000000 0.2445316), wk = 0.0023810 k( 227) = ( 0.4200000 -0.0000000 0.2445316), wk = 0.0023810 k( 228) = ( 0.4300000 -0.0000000 0.2445316), wk = 0.0023810 k( 229) = ( 0.4400000 -0.0000000 0.2445316), wk = 0.0023810 k( 230) = ( 0.4500000 -0.0000000 0.2445316), wk = 0.0023810 k( 231) = ( 0.4600000 -0.0000000 0.2445316), wk = 0.0023810 k( 232) = ( 0.4700000 -0.0000000 0.2445316), wk = 0.0023810 k( 233) = ( 0.4800000 -0.0000000 0.2445316), wk = 0.0023810 k( 234) = ( 0.4900000 -0.0000000 0.2445316), wk = 0.0023810 k( 235) = ( 0.5000000 -0.0000000 0.2445316), wk = 0.0023810 k( 236) = ( 0.5000000 -0.0000000 0.2445316), wk = 0.0023810 k( 237) = ( 0.5000000 0.0101511 0.2445316), wk = 0.0023810 k( 238) = ( 0.5000000 0.0203022 0.2445316), wk = 0.0023810 k( 239) = ( 0.5000000 0.0304533 0.2445316), wk = 0.0023810 k( 240) = ( 0.5000000 0.0406043 0.2445316), wk = 0.0023810 k( 241) = ( 0.5000000 0.0507554 0.2445316), wk = 0.0023810 k( 242) = ( 0.5000000 0.0609065 0.2445316), wk = 0.0023810 k( 243) = ( 0.5000000 0.0710576 0.2445316), wk = 0.0023810 k( 244) = ( 0.5000000 0.0812087 0.2445316), wk = 0.0023810 k( 245) = ( 0.5000000 0.0913598 0.2445316), wk = 0.0023810 k( 246) = ( 0.5000000 0.1015109 0.2445316), wk = 0.0023810 k( 247) = ( 0.5000000 0.1116620 0.2445316), wk = 0.0023810 k( 248) = ( 0.5000000 0.1218130 0.2445316), wk = 0.0023810 k( 249) = ( 0.5000000 0.1319641 0.2445316), wk = 0.0023810 k( 250) = ( 0.5000000 0.1421152 0.2445316), wk = 0.0023810 k( 251) = ( 0.5000000 0.1522663 0.2445316), wk = 0.0023810 k( 252) = ( 0.5000000 0.1624174 0.2445316), wk = 0.0023810 k( 253) = ( 0.5000000 0.1725685 0.2445316), wk = 0.0023810 k( 254) = ( 0.5000000 0.1827196 0.2445316), wk = 0.0023810 k( 255) = ( 0.5000000 0.1928706 0.2445316), wk = 0.0023810 k( 256) = ( 0.5000000 0.2030217 0.2445316), wk = 0.0023810 k( 257) = ( 0.5000000 0.2131728 0.2445316), wk = 0.0023810 k( 258) = ( 0.5000000 0.2233239 0.2445316), wk = 0.0023810 k( 259) = ( 0.5000000 0.2334750 0.2445316), wk = 0.0023810 k( 260) = ( 0.5000000 0.2436261 0.2445316), wk = 0.0023810 k( 261) = ( 0.5000000 0.2537772 0.2445316), wk = 0.0023810 k( 262) = ( 0.5000000 0.2639283 0.2445316), wk = 0.0023810 k( 263) = ( 0.5000000 0.2740793 0.2445316), wk = 0.0023810 k( 264) = ( 0.5000000 0.2740793 0.2445316), wk = 0.0023810 k( 265) = ( 0.4900000 0.2740793 0.2445316), wk = 0.0023810 k( 266) = ( 0.4800000 0.2740793 0.2445316), wk = 0.0023810 k( 267) = ( 0.4700000 0.2740793 0.2445316), wk = 0.0023810 k( 268) = ( 0.4600000 0.2740793 0.2445316), wk = 0.0023810 k( 269) = ( 0.4500000 0.2740793 0.2445316), wk = 0.0023810 k( 270) = ( 0.4400000 0.2740793 0.2445316), wk = 0.0023810 k( 271) = ( 0.4300000 0.2740793 0.2445316), wk = 0.0023810 k( 272) = ( 0.4200000 0.2740793 0.2445316), wk = 0.0023810 k( 273) = ( 0.4100000 0.2740793 0.2445316), wk = 0.0023810 k( 274) = ( 0.4000000 0.2740793 0.2445316), wk = 0.0023810 k( 275) = ( 0.3900000 0.2740793 0.2445316), wk = 0.0023810 k( 276) = ( 0.3800000 0.2740793 0.2445316), wk = 0.0023810 k( 277) = ( 0.3700000 0.2740793 0.2445316), wk = 0.0023810 k( 278) = ( 0.3600000 0.2740793 0.2445316), wk = 0.0023810 k( 279) = ( 0.3500000 0.2740793 0.2445316), wk = 0.0023810 k( 280) = ( 0.3400000 0.2740793 0.2445316), wk = 0.0023810 k( 281) = ( 0.3300000 0.2740793 0.2445316), wk = 0.0023810 k( 282) = ( 0.3200000 0.2740793 0.2445316), wk = 0.0023810 k( 283) = ( 0.3100000 0.2740793 0.2445316), wk = 0.0023810 k( 284) = ( 0.3000000 0.2740793 0.2445316), wk = 0.0023810 k( 285) = ( 0.2900000 0.2740793 0.2445316), wk = 0.0023810 k( 286) = ( 0.2800000 0.2740793 0.2445316), wk = 0.0023810 k( 287) = ( 0.2700000 0.2740793 0.2445316), wk = 0.0023810 k( 288) = ( 0.2600000 0.2740793 0.2445316), wk = 0.0023810 k( 289) = ( 0.2500000 0.2740793 0.2445316), wk = 0.0023810 k( 290) = ( 0.2400000 0.2740793 0.2445316), wk = 0.0023810 k( 291) = ( 0.2300000 0.2740793 0.2445316), wk = 0.0023810 k( 292) = ( 0.2200000 0.2740793 0.2445316), wk = 0.0023810 k( 293) = ( 0.2100000 0.2740793 0.2445316), wk = 0.0023810 k( 294) = ( 0.2000000 0.2740793 0.2445316), wk = 0.0023810 k( 295) = ( 0.1900000 0.2740793 0.2445316), wk = 0.0023810 k( 296) = ( 0.1800000 0.2740793 0.2445316), wk = 0.0023810 k( 297) = ( 0.1700000 0.2740793 0.2445316), wk = 0.0023810 k( 298) = ( 0.1600000 0.2740793 0.2445316), wk = 0.0023810 k( 299) = ( 0.1500000 0.2740793 0.2445316), wk = 0.0023810 k( 300) = ( 0.1400000 0.2740793 0.2445316), wk = 0.0023810 k( 301) = ( 0.1300000 0.2740793 0.2445316), wk = 0.0023810 k( 302) = ( 0.1200000 0.2740793 0.2445316), wk = 0.0023810 k( 303) = ( 0.1100000 0.2740793 0.2445316), wk = 0.0023810 k( 304) = ( 0.1000000 0.2740793 0.2445316), wk = 0.0023810 k( 305) = ( 0.0900000 0.2740793 0.2445316), wk = 0.0023810 k( 306) = ( 0.0800000 0.2740793 0.2445316), wk = 0.0023810 k( 307) = ( 0.0700000 0.2740793 0.2445316), wk = 0.0023810 k( 308) = ( 0.0600000 0.2740793 0.2445316), wk = 0.0023810 k( 309) = ( 0.0500000 0.2740793 0.2445316), wk = 0.0023810 k( 310) = ( 0.0400000 0.2740793 0.2445316), wk = 0.0023810 k( 311) = ( 0.0300000 0.2740793 0.2445316), wk = 0.0023810 k( 312) = ( 0.0200000 0.2740793 0.2445316), wk = 0.0023810 k( 313) = ( 0.0100000 0.2740793 0.2445316), wk = 0.0023810 k( 314) = ( 0.0000000 0.2740793 0.2445316), wk = 0.0023810 k( 315) = ( 0.0000000 0.2740793 0.2445316), wk = 0.0023810 k( 316) = ( 0.0000000 0.2639283 0.2445316), wk = 0.0023810 k( 317) = ( 0.0000000 0.2537772 0.2445316), wk = 0.0023810 k( 318) = ( 0.0000000 0.2436261 0.2445316), wk = 0.0023810 k( 319) = ( 0.0000000 0.2334750 0.2445316), wk = 0.0023810 k( 320) = ( 0.0000000 0.2233239 0.2445316), wk = 0.0023810 k( 321) = ( 0.0000000 0.2131728 0.2445316), wk = 0.0023810 k( 322) = ( 0.0000000 0.2030217 0.2445316), wk = 0.0023810 k( 323) = ( 0.0000000 0.1928706 0.2445316), wk = 0.0023810 k( 324) = ( 0.0000000 0.1827196 0.2445316), wk = 0.0023810 k( 325) = ( 0.0000000 0.1725685 0.2445316), wk = 0.0023810 k( 326) = ( 0.0000000 0.1624174 0.2445316), wk = 0.0023810 k( 327) = ( 0.0000000 0.1522663 0.2445316), wk = 0.0023810 k( 328) = ( 0.0000000 0.1421152 0.2445316), wk = 0.0023810 k( 329) = ( 0.0000000 0.1319641 0.2445316), wk = 0.0023810 k( 330) = ( 0.0000000 0.1218130 0.2445316), wk = 0.0023810 k( 331) = ( 0.0000000 0.1116620 0.2445316), wk = 0.0023810 k( 332) = ( 0.0000000 0.1015109 0.2445316), wk = 0.0023810 k( 333) = ( 0.0000000 0.0913598 0.2445316), wk = 0.0023810 k( 334) = ( 0.0000000 0.0812087 0.2445316), wk = 0.0023810 k( 335) = ( 0.0000000 0.0710576 0.2445316), wk = 0.0023810 k( 336) = ( 0.0000000 0.0609065 0.2445316), wk = 0.0023810 k( 337) = ( 0.0000000 0.0507554 0.2445316), wk = 0.0023810 k( 338) = ( 0.0000000 0.0406043 0.2445316), wk = 0.0023810 k( 339) = ( 0.0000000 0.0304533 0.2445316), wk = 0.0023810 k( 340) = ( 0.0000000 0.0203022 0.2445316), wk = 0.0023810 k( 341) = ( 0.0000000 0.0101511 0.2445316), wk = 0.0023810 k( 342) = ( 0.0000000 0.0000000 0.2445316), wk = 0.0023810 k( 343) = ( 0.0000000 0.2740793 -0.0000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.2740793 0.0097813), wk = 0.0023810 k( 345) = ( 0.0000000 0.2740793 0.0195625), wk = 0.0023810 k( 346) = ( 0.0000000 0.2740793 0.0293438), wk = 0.0023810 k( 347) = ( 0.0000000 0.2740793 0.0391251), wk = 0.0023810 k( 348) = ( 0.0000000 0.2740793 0.0489063), wk = 0.0023810 k( 349) = ( 0.0000000 0.2740793 0.0586876), wk = 0.0023810 k( 350) = ( 0.0000000 0.2740793 0.0684689), wk = 0.0023810 k( 351) = ( 0.0000000 0.2740793 0.0782501), wk = 0.0023810 k( 352) = ( 0.0000000 0.2740793 0.0880314), wk = 0.0023810 k( 353) = ( 0.0000000 0.2740793 0.0978127), wk = 0.0023810 k( 354) = ( 0.0000000 0.2740793 0.1075939), wk = 0.0023810 k( 355) = ( 0.0000000 0.2740793 0.1173752), wk = 0.0023810 k( 356) = ( 0.0000000 0.2740793 0.1271564), wk = 0.0023810 k( 357) = ( 0.0000000 0.2740793 0.1369377), wk = 0.0023810 k( 358) = ( 0.0000000 0.2740793 0.1467190), wk = 0.0023810 k( 359) = ( 0.0000000 0.2740793 0.1565002), wk = 0.0023810 k( 360) = ( 0.0000000 0.2740793 0.1662815), wk = 0.0023810 k( 361) = ( 0.0000000 0.2740793 0.1760628), wk = 0.0023810 k( 362) = ( 0.0000000 0.2740793 0.1858440), wk = 0.0023810 k( 363) = ( 0.0000000 0.2740793 0.1956253), wk = 0.0023810 k( 364) = ( 0.0000000 0.2740793 0.2054066), wk = 0.0023810 k( 365) = ( 0.0000000 0.2740793 0.2151878), wk = 0.0023810 k( 366) = ( 0.0000000 0.2740793 0.2249691), wk = 0.0023810 k( 367) = ( 0.0000000 0.2740793 0.2347504), wk = 0.0023810 k( 368) = ( 0.0000000 0.2740793 0.2445316), wk = 0.0023810 k( 369) = ( 0.5000000 -0.0000000 0.2445316), wk = 0.0023810 k( 370) = ( 0.5000000 -0.0000000 0.2347504), wk = 0.0023810 k( 371) = ( 0.5000000 -0.0000000 0.2249691), wk = 0.0023810 k( 372) = ( 0.5000000 -0.0000000 0.2151878), wk = 0.0023810 k( 373) = ( 0.5000000 -0.0000000 0.2054066), wk = 0.0023810 k( 374) = ( 0.5000000 -0.0000000 0.1956253), wk = 0.0023810 k( 375) = ( 0.5000000 -0.0000000 0.1858440), wk = 0.0023810 k( 376) = ( 0.5000000 -0.0000000 0.1760628), wk = 0.0023810 k( 377) = ( 0.5000000 -0.0000000 0.1662815), wk = 0.0023810 k( 378) = ( 0.5000000 -0.0000000 0.1565002), wk = 0.0023810 k( 379) = ( 0.5000000 -0.0000000 0.1467190), wk = 0.0023810 k( 380) = ( 0.5000000 -0.0000000 0.1369377), wk = 0.0023810 k( 381) = ( 0.5000000 -0.0000000 0.1271564), wk = 0.0023810 k( 382) = ( 0.5000000 -0.0000000 0.1173752), wk = 0.0023810 k( 383) = ( 0.5000000 -0.0000000 0.1075939), wk = 0.0023810 k( 384) = ( 0.5000000 -0.0000000 0.0978127), wk = 0.0023810 k( 385) = ( 0.5000000 -0.0000000 0.0880314), wk = 0.0023810 k( 386) = ( 0.5000000 -0.0000000 0.0782501), wk = 0.0023810 k( 387) = ( 0.5000000 -0.0000000 0.0684689), wk = 0.0023810 k( 388) = ( 0.5000000 -0.0000000 0.0586876), wk = 0.0023810 k( 389) = ( 0.5000000 -0.0000000 0.0489063), wk = 0.0023810 k( 390) = ( 0.5000000 -0.0000000 0.0391251), wk = 0.0023810 k( 391) = ( 0.5000000 -0.0000000 0.0293438), wk = 0.0023810 k( 392) = ( 0.5000000 -0.0000000 0.0195625), wk = 0.0023810 k( 393) = ( 0.5000000 -0.0000000 0.0097813), wk = 0.0023810 k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 395) = ( 0.5000000 0.2740793 -0.0000000), wk = 0.0023810 k( 396) = ( 0.5000000 0.2740793 0.0097813), wk = 0.0023810 k( 397) = ( 0.5000000 0.2740793 0.0195625), wk = 0.0023810 k( 398) = ( 0.5000000 0.2740793 0.0293438), wk = 0.0023810 k( 399) = ( 0.5000000 0.2740793 0.0391251), wk = 0.0023810 k( 400) = ( 0.5000000 0.2740793 0.0489063), wk = 0.0023810 k( 401) = ( 0.5000000 0.2740793 0.0586876), wk = 0.0023810 k( 402) = ( 0.5000000 0.2740793 0.0684689), wk = 0.0023810 k( 403) = ( 0.5000000 0.2740793 0.0782501), wk = 0.0023810 k( 404) = ( 0.5000000 0.2740793 0.0880314), wk = 0.0023810 k( 405) = ( 0.5000000 0.2740793 0.0978127), wk = 0.0023810 k( 406) = ( 0.5000000 0.2740793 0.1075939), wk = 0.0023810 k( 407) = ( 0.5000000 0.2740793 0.1173752), wk = 0.0023810 k( 408) = ( 0.5000000 0.2740793 0.1271564), wk = 0.0023810 k( 409) = ( 0.5000000 0.2740793 0.1369377), wk = 0.0023810 k( 410) = ( 0.5000000 0.2740793 0.1467190), wk = 0.0023810 k( 411) = ( 0.5000000 0.2740793 0.1565002), wk = 0.0023810 k( 412) = ( 0.5000000 0.2740793 0.1662815), wk = 0.0023810 k( 413) = ( 0.5000000 0.2740793 0.1760628), wk = 0.0023810 k( 414) = ( 0.5000000 0.2740793 0.1858440), wk = 0.0023810 k( 415) = ( 0.5000000 0.2740793 0.1956253), wk = 0.0023810 k( 416) = ( 0.5000000 0.2740793 0.2054066), wk = 0.0023810 k( 417) = ( 0.5000000 0.2740793 0.2151878), wk = 0.0023810 k( 418) = ( 0.5000000 0.2740793 0.2249691), wk = 0.0023810 k( 419) = ( 0.5000000 0.2740793 0.2347504), wk = 0.0023810 k( 420) = ( 0.5000000 0.2740793 0.2445316), wk = 0.0023810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0023810 k( 10) = ( 0.0900000 0.0000000 -0.0000000), wk = 0.0023810 k( 11) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0023810 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0023810 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 21) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0023810 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0023810 k( 31) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0023810 k( 32) = ( 0.3100000 0.0000000 -0.0000000), wk = 0.0023810 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0023810 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 37) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 40) = ( 0.3900000 -0.0000000 0.0000000), wk = 0.0023810 k( 41) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0023810 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 48) = ( 0.4700000 0.0000000 -0.0000000), wk = 0.0023810 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0185185 -0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0370370 -0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.0555556 -0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.0740741 -0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.0925926 -0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.1296296 -0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.1481482 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.1851852 0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.2037037 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.2222222 -0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.2407407 -0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.2592593 -0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.2777778 -0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.2962963 -0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.3148148 0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.3518519 0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.3703704 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.4074074 -0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.4259259 -0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.4444444 -0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.4629630 -0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.4814815 -0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 81) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0023810 k( 82) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0023810 k( 83) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0023810 k( 84) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0023810 k( 85) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0023810 k( 86) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0023810 k( 87) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0023810 k( 88) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0023810 k( 89) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0023810 k( 90) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0023810 k( 91) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0023810 k( 92) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0023810 k( 93) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0023810 k( 94) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0023810 k( 95) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0023810 k( 96) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0023810 k( 97) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0023810 k( 98) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0023810 k( 99) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0023810 k( 100) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023810 k( 101) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0023810 k( 102) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0023810 k( 103) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0023810 k( 104) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0023810 k( 105) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0023810 k( 106) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0023810 k( 107) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0023810 k( 108) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0023810 k( 109) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0023810 k( 110) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023810 k( 111) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0023810 k( 112) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0023810 k( 113) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0023810 k( 114) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0023810 k( 115) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0023810 k( 116) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0023810 k( 117) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0023810 k( 118) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0023810 k( 119) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0023810 k( 120) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023810 k( 121) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0023810 k( 122) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0023810 k( 123) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0023810 k( 124) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0023810 k( 125) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0023810 k( 126) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0023810 k( 127) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0023810 k( 128) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0023810 k( 129) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023810 k( 161) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023810 k( 162) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023810 k( 163) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023810 k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 186) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0023810 k( 187) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0023810 k( 188) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0023810 k( 189) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0023810 k( 190) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0023810 k( 191) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0023810 k( 192) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0023810 k( 193) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0023810 k( 194) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0023810 k( 195) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0023810 k( 196) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0023810 k( 197) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0023810 k( 198) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0023810 k( 199) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0023810 k( 200) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0023810 k( 201) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0023810 k( 202) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0023810 k( 203) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0023810 k( 204) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0023810 k( 205) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0023810 k( 206) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0023810 k( 207) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0023810 k( 208) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0023810 k( 209) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0023810 k( 210) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0023810 k( 211) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0023810 k( 212) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0023810 k( 213) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0023810 k( 214) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0023810 k( 215) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0023810 k( 216) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0023810 k( 217) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0023810 k( 218) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0023810 k( 219) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0023810 k( 220) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0023810 k( 221) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0023810 k( 222) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0023810 k( 223) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0023810 k( 224) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0023810 k( 225) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0023810 k( 226) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0023810 k( 227) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0023810 k( 228) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0023810 k( 229) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0023810 k( 230) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0023810 k( 231) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0023810 k( 232) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0023810 k( 233) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0023810 k( 234) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0023810 k( 235) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023810 k( 236) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023810 k( 237) = ( 0.5000000 0.0185185 0.5000000), wk = 0.0023810 k( 238) = ( 0.5000000 0.0370370 0.5000000), wk = 0.0023810 k( 239) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0023810 k( 240) = ( 0.5000000 0.0740741 0.5000000), wk = 0.0023810 k( 241) = ( 0.5000000 0.0925926 0.5000000), wk = 0.0023810 k( 242) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0023810 k( 243) = ( 0.5000000 0.1296296 0.5000000), wk = 0.0023810 k( 244) = ( 0.5000000 0.1481482 0.5000000), wk = 0.0023810 k( 245) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023810 k( 246) = ( 0.5000000 0.1851852 0.5000000), wk = 0.0023810 k( 247) = ( 0.5000000 0.2037037 0.5000000), wk = 0.0023810 k( 248) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0023810 k( 249) = ( 0.5000000 0.2407407 0.5000000), wk = 0.0023810 k( 250) = ( 0.5000000 0.2592593 0.5000000), wk = 0.0023810 k( 251) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0023810 k( 252) = ( 0.5000000 0.2962963 0.5000000), wk = 0.0023810 k( 253) = ( 0.5000000 0.3148148 0.5000000), wk = 0.0023810 k( 254) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023810 k( 255) = ( 0.5000000 0.3518519 0.5000000), wk = 0.0023810 k( 256) = ( 0.5000000 0.3703704 0.5000000), wk = 0.0023810 k( 257) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0023810 k( 258) = ( 0.5000000 0.4074074 0.5000000), wk = 0.0023810 k( 259) = ( 0.5000000 0.4259259 0.5000000), wk = 0.0023810 k( 260) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0023810 k( 261) = ( 0.5000000 0.4629630 0.5000000), wk = 0.0023810 k( 262) = ( 0.5000000 0.4814815 0.5000000), wk = 0.0023810 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 265) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0023810 k( 266) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0023810 k( 267) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0023810 k( 268) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0023810 k( 269) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0023810 k( 270) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0023810 k( 271) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0023810 k( 272) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0023810 k( 273) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0023810 k( 274) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023810 k( 275) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0023810 k( 276) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0023810 k( 277) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0023810 k( 278) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0023810 k( 279) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0023810 k( 280) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0023810 k( 281) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0023810 k( 282) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0023810 k( 283) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0023810 k( 284) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023810 k( 285) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0023810 k( 286) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0023810 k( 287) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0023810 k( 288) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0023810 k( 289) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023810 k( 290) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0023810 k( 291) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0023810 k( 292) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0023810 k( 293) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0023810 k( 294) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023810 k( 295) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0023810 k( 296) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0023810 k( 297) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0023810 k( 298) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0023810 k( 299) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0023810 k( 300) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0023810 k( 301) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0023810 k( 302) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0023810 k( 303) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0023810 k( 304) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023810 k( 305) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0023810 k( 306) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0023810 k( 307) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0023810 k( 308) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0023810 k( 309) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0023810 k( 310) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0023810 k( 311) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0023810 k( 312) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0023810 k( 313) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0023810 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 315) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 316) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0023810 k( 317) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0023810 k( 318) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0023810 k( 319) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0023810 k( 320) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0023810 k( 321) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0023810 k( 322) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0023810 k( 323) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0023810 k( 324) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023810 k( 325) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0023810 k( 326) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0023810 k( 327) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0023810 k( 328) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0023810 k( 329) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0023810 k( 330) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0023810 k( 331) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0023810 k( 332) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0023810 k( 333) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023810 k( 334) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0023810 k( 335) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0023810 k( 336) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0023810 k( 337) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0023810 k( 338) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0023810 k( 339) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0023810 k( 340) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0023810 k( 341) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0023810 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 343) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0023810 k( 345) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0023810 k( 346) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0023810 k( 347) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0023810 k( 348) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023810 k( 349) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0023810 k( 350) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0023810 k( 351) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0023810 k( 352) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0023810 k( 353) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023810 k( 354) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0023810 k( 355) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0023810 k( 356) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0023810 k( 357) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0023810 k( 358) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023810 k( 359) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0023810 k( 360) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0023810 k( 361) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0023810 k( 362) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0023810 k( 363) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023810 k( 364) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0023810 k( 365) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0023810 k( 366) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0023810 k( 367) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0023810 k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 369) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023810 k( 370) = ( 0.5000000 -0.0000000 0.4800000), wk = 0.0023810 k( 371) = ( 0.5000000 -0.0000000 0.4600000), wk = 0.0023810 k( 372) = ( 0.5000000 -0.0000000 0.4400000), wk = 0.0023810 k( 373) = ( 0.5000000 -0.0000000 0.4200000), wk = 0.0023810 k( 374) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0023810 k( 375) = ( 0.5000000 -0.0000000 0.3800000), wk = 0.0023810 k( 376) = ( 0.5000000 -0.0000000 0.3600000), wk = 0.0023810 k( 377) = ( 0.5000000 -0.0000000 0.3400000), wk = 0.0023810 k( 378) = ( 0.5000000 -0.0000000 0.3200000), wk = 0.0023810 k( 379) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0023810 k( 380) = ( 0.5000000 -0.0000000 0.2800000), wk = 0.0023810 k( 381) = ( 0.5000000 -0.0000000 0.2600000), wk = 0.0023810 k( 382) = ( 0.5000000 -0.0000000 0.2400000), wk = 0.0023810 k( 383) = ( 0.5000000 -0.0000000 0.2200000), wk = 0.0023810 k( 384) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0023810 k( 385) = ( 0.5000000 -0.0000000 0.1800000), wk = 0.0023810 k( 386) = ( 0.5000000 -0.0000000 0.1600000), wk = 0.0023810 k( 387) = ( 0.5000000 -0.0000000 0.1400000), wk = 0.0023810 k( 388) = ( 0.5000000 -0.0000000 0.1200000), wk = 0.0023810 k( 389) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0023810 k( 390) = ( 0.5000000 -0.0000000 0.0800000), wk = 0.0023810 k( 391) = ( 0.5000000 -0.0000000 0.0600000), wk = 0.0023810 k( 392) = ( 0.5000000 -0.0000000 0.0400000), wk = 0.0023810 k( 393) = ( 0.5000000 -0.0000000 0.0200000), wk = 0.0023810 k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 396) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0023810 k( 397) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0023810 k( 398) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0023810 k( 399) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0023810 k( 400) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023810 k( 401) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0023810 k( 402) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0023810 k( 403) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0023810 k( 404) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0023810 k( 405) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023810 k( 406) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0023810 k( 407) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0023810 k( 408) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0023810 k( 409) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0023810 k( 410) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023810 k( 411) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0023810 k( 412) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0023810 k( 413) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0023810 k( 414) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0023810 k( 415) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023810 k( 416) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0023810 k( 417) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0023810 k( 418) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0023810 k( 419) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0023810 k( 420) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 Dense grid: 52255 G-vectors FFT dimensions: ( 30, 60, 64) Smooth grid: 34609 G-vectors FFT dimensions: ( 27, 48, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 288, 44) NL pseudopotentials 0.45 Mb ( 144, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1636) G-vector shells 0.01 Mb ( 813) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 288, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.27 Mb ( 204, 2, 44) The potential is recalculated from file : ./FeSb2.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 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.1 secs Computing kpt #: 6 total cpu time spent up to now is 9.1 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 13.0 secs Computing kpt #: 11 total cpu time spent up to now is 13.9 secs Computing kpt #: 12 total cpu time spent up to now is 14.8 secs Computing kpt #: 13 total cpu time spent up to now is 15.8 secs Computing kpt #: 14 total cpu time spent up to now is 16.7 secs Computing kpt #: 15 total cpu time spent up to now is 17.6 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.4 secs Computing kpt #: 18 total cpu time spent up to now is 20.3 secs Computing kpt #: 19 total cpu time spent up to now is 21.2 secs Computing kpt #: 20 total cpu time spent up to now is 22.9 secs Computing kpt #: 21 total cpu time spent up to now is 24.9 secs Computing kpt #: 22 total cpu time spent up to now is 26.5 secs Computing kpt #: 23 total cpu time spent up to now is 27.4 secs Computing kpt #: 24 total cpu time spent up to now is 28.4 secs Computing kpt #: 25 total cpu time spent up to now is 29.3 secs Computing kpt #: 26 total cpu time spent up to now is 30.3 secs Computing kpt #: 27 total cpu time spent up to now is 31.3 secs Computing kpt #: 28 total cpu time spent up to now is 32.4 secs Computing kpt #: 29 total cpu time spent up to now is 33.6 secs Computing kpt #: 30 total cpu time spent up to now is 35.3 secs Computing kpt #: 31 total cpu time spent up to now is 36.4 secs Computing kpt #: 32 total cpu time spent up to now is 37.5 secs Computing kpt #: 33 total cpu time spent up to now is 38.6 secs Computing kpt #: 34 total cpu time spent up to now is 39.6 secs Computing kpt #: 35 total cpu time spent up to now is 40.7 secs Computing kpt #: 36 total cpu time spent up to now is 41.7 secs Computing kpt #: 37 total cpu time spent up to now is 42.7 secs Computing kpt #: 38 total cpu time spent up to now is 43.7 secs Computing kpt #: 39 total cpu time spent up to now is 44.8 secs Computing kpt #: 40 total cpu time spent up to now is 45.8 secs Computing kpt #: 41 total cpu time spent up to now is 46.8 secs Computing kpt #: 42 total cpu time spent up to now is 47.8 secs Computing kpt #: 43 total cpu time spent up to now is 48.8 secs Computing kpt #: 44 total cpu time spent up to now is 49.8 secs Computing kpt #: 45 total cpu time spent up to now is 50.9 secs Computing kpt #: 46 total cpu time spent up to now is 52.1 secs Computing kpt #: 47 total cpu time spent up to now is 53.3 secs Computing kpt #: 48 total cpu time spent up to now is 54.4 secs Computing kpt #: 49 total cpu time spent up to now is 55.4 secs Computing kpt #: 50 total cpu time spent up to now is 56.3 secs Computing kpt #: 51 total cpu time spent up to now is 57.3 secs Computing kpt #: 52 total cpu time spent up to now is 58.1 secs Computing kpt #: 53 total cpu time spent up to now is 59.1 secs Computing kpt #: 54 total cpu time spent up to now is 60.0 secs Computing kpt #: 55 total cpu time spent up to now is 60.9 secs Computing kpt #: 56 total cpu time spent up to now is 61.9 secs Computing kpt #: 57 total cpu time spent up to now is 63.0 secs Computing kpt #: 58 total cpu time spent up to now is 64.0 secs Computing kpt #: 59 total cpu time spent up to now is 65.0 secs Computing kpt #: 60 total cpu time spent up to now is 66.0 secs Computing kpt #: 61 total cpu time spent up to now is 67.0 secs Computing kpt #: 62 total cpu time spent up to now is 68.0 secs Computing kpt #: 63 total cpu time spent up to now is 69.0 secs Computing kpt #: 64 total cpu time spent up to now is 70.0 secs Computing kpt #: 65 total cpu time spent up to now is 71.0 secs Computing kpt #: 66 total cpu time spent up to now is 71.9 secs Computing kpt #: 67 total cpu time spent up to now is 72.8 secs Computing kpt #: 68 total cpu time spent up to now is 73.7 secs Computing kpt #: 69 total cpu time spent up to now is 74.6 secs Computing kpt #: 70 total cpu time spent up to now is 75.5 secs Computing kpt #: 71 total cpu time spent up to now is 76.4 secs Computing kpt #: 72 total cpu time spent up to now is 77.2 secs Computing kpt #: 73 total cpu time spent up to now is 78.1 secs Computing kpt #: 74 total cpu time spent up to now is 78.9 secs Computing kpt #: 75 total cpu time spent up to now is 79.7 secs Computing kpt #: 76 total cpu time spent up to now is 80.5 secs Computing kpt #: 77 total cpu time spent up to now is 81.2 secs Computing kpt #: 78 total cpu time spent up to now is 82.0 secs Computing kpt #: 79 total cpu time spent up to now is 82.7 secs Computing kpt #: 80 total cpu time spent up to now is 83.5 secs Computing kpt #: 81 total cpu time spent up to now is 84.2 secs Computing kpt #: 82 total cpu time spent up to now is 85.0 secs Computing kpt #: 83 total cpu time spent up to now is 85.8 secs Computing kpt #: 84 total cpu time spent up to now is 86.6 secs Computing kpt #: 85 total cpu time spent up to now is 87.3 secs Computing kpt #: 86 total cpu time spent up to now is 88.1 secs Computing kpt #: 87 total cpu time spent up to now is 89.0 secs Computing kpt #: 88 total cpu time spent up to now is 89.8 secs Computing kpt #: 89 total cpu time spent up to now is 90.7 secs Computing kpt #: 90 total cpu time spent up to now is 91.5 secs Computing kpt #: 91 total cpu time spent up to now is 92.4 secs Computing kpt #: 92 total cpu time spent up to now is 93.3 secs Computing kpt #: 93 total cpu time spent up to now is 94.2 secs Computing kpt #: 94 total cpu time spent up to now is 95.1 secs Computing kpt #: 95 total cpu time spent up to now is 96.0 secs Computing kpt #: 96 total cpu time spent up to now is 96.9 secs Computing kpt #: 97 total cpu time spent up to now is 97.8 secs Computing kpt #: 98 total cpu time spent up to now is 98.7 secs Computing kpt #: 99 total cpu time spent up to now is 99.6 secs Computing kpt #: 100 total cpu time spent up to now is 100.5 secs Computing kpt #: 101 total cpu time spent up to now is 101.4 secs Computing kpt #: 102 total cpu time spent up to now is 102.3 secs Computing kpt #: 103 total cpu time spent up to now is 103.2 secs Computing kpt #: 104 total cpu time spent up to now is 104.1 secs Computing kpt #: 105 total cpu time spent up to now is 105.0 secs Computing kpt #: 106 total cpu time spent up to now is 106.0 secs Computing kpt #: 107 total cpu time spent up to now is 106.9 secs Computing kpt #: 108 total cpu time spent up to now is 107.8 secs Computing kpt #: 109 total cpu time spent up to now is 108.7 secs Computing kpt #: 110 total cpu time spent up to now is 109.7 secs Computing kpt #: 111 total cpu time spent up to now is 110.7 secs Computing kpt #: 112 total cpu time spent up to now is 111.8 secs Computing kpt #: 113 total cpu time spent up to now is 113.3 secs Computing kpt #: 114 total cpu time spent up to now is 114.5 secs Computing kpt #: 115 total cpu time spent up to now is 115.6 secs Computing kpt #: 116 total cpu time spent up to now is 116.7 secs Computing kpt #: 117 total cpu time spent up to now is 117.9 secs Computing kpt #: 118 total cpu time spent up to now is 119.1 secs Computing kpt #: 119 total cpu time spent up to now is 120.2 secs Computing kpt #: 120 total cpu time spent up to now is 121.4 secs Computing kpt #: 121 total cpu time spent up to now is 122.6 secs Computing kpt #: 122 total cpu time spent up to now is 123.8 secs Computing kpt #: 123 total cpu time spent up to now is 125.0 secs Computing kpt #: 124 total cpu time spent up to now is 126.1 secs Computing kpt #: 125 total cpu time spent up to now is 127.3 secs Computing kpt #: 126 total cpu time spent up to now is 128.4 secs Computing kpt #: 127 total cpu time spent up to now is 129.4 secs Computing kpt #: 128 total cpu time spent up to now is 130.5 secs Computing kpt #: 129 total cpu time spent up to now is 131.5 secs Computing kpt #: 130 total cpu time spent up to now is 132.6 secs Computing kpt #: 131 total cpu time spent up to now is 133.6 secs Computing kpt #: 132 total cpu time spent up to now is 134.7 secs Computing kpt #: 133 total cpu time spent up to now is 135.8 secs Computing kpt #: 134 total cpu time spent up to now is 136.9 secs Computing kpt #: 135 total cpu time spent up to now is 138.2 secs Computing kpt #: 136 total cpu time spent up to now is 139.4 secs Computing kpt #: 137 total cpu time spent up to now is 140.5 secs Computing kpt #: 138 total cpu time spent up to now is 141.7 secs Computing kpt #: 139 total cpu time spent up to now is 142.9 secs Computing kpt #: 140 total cpu time spent up to now is 144.0 secs Computing kpt #: 141 total cpu time spent up to now is 145.2 secs Computing kpt #: 142 total cpu time spent up to now is 146.3 secs Computing kpt #: 143 total cpu time spent up to now is 147.4 secs Computing kpt #: 144 total cpu time spent up to now is 148.6 secs Computing kpt #: 145 total cpu time spent up to now is 149.8 secs Computing kpt #: 146 total cpu time spent up to now is 150.9 secs Computing kpt #: 147 total cpu time spent up to now is 152.2 secs Computing kpt #: 148 total cpu time spent up to now is 153.4 secs Computing kpt #: 149 total cpu time spent up to now is 154.6 secs Computing kpt #: 150 total cpu time spent up to now is 156.0 secs Computing kpt #: 151 total cpu time spent up to now is 157.2 secs Computing kpt #: 152 total cpu time spent up to now is 158.5 secs Computing kpt #: 153 total cpu time spent up to now is 159.7 secs Computing kpt #: 154 total cpu time spent up to now is 160.8 secs Computing kpt #: 155 total cpu time spent up to now is 161.9 secs Computing kpt #: 156 total cpu time spent up to now is 163.0 secs Computing kpt #: 157 total cpu time spent up to now is 164.1 secs Computing kpt #: 158 total cpu time spent up to now is 165.0 secs Computing kpt #: 159 total cpu time spent up to now is 166.1 secs Computing kpt #: 160 total cpu time spent up to now is 167.1 secs Computing kpt #: 161 total cpu time spent up to now is 168.1 secs Computing kpt #: 162 total cpu time spent up to now is 169.1 secs Computing kpt #: 163 total cpu time spent up to now is 170.1 secs Computing kpt #: 164 total cpu time spent up to now is 171.1 secs Computing kpt #: 165 total cpu time spent up to now is 172.0 secs Computing kpt #: 166 total cpu time spent up to now is 173.0 secs Computing kpt #: 167 total cpu time spent up to now is 174.0 secs Computing kpt #: 168 total cpu time spent up to now is 175.0 secs Computing kpt #: 169 total cpu time spent up to now is 175.9 secs Computing kpt #: 170 total cpu time spent up to now is 176.9 secs Computing kpt #: 171 total cpu time spent up to now is 177.9 secs Computing kpt #: 172 total cpu time spent up to now is 178.8 secs Computing kpt #: 173 total cpu time spent up to now is 179.7 secs Computing kpt #: 174 total cpu time spent up to now is 180.6 secs Computing kpt #: 175 total cpu time spent up to now is 181.5 secs Computing kpt #: 176 total cpu time spent up to now is 182.4 secs Computing kpt #: 177 total cpu time spent up to now is 183.3 secs Computing kpt #: 178 total cpu time spent up to now is 184.2 secs Computing kpt #: 179 total cpu time spent up to now is 185.2 secs Computing kpt #: 180 total cpu time spent up to now is 186.6 secs Computing kpt #: 181 total cpu time spent up to now is 187.8 secs Computing kpt #: 182 total cpu time spent up to now is 188.9 secs Computing kpt #: 183 total cpu time spent up to now is 189.9 secs Computing kpt #: 184 total cpu time spent up to now is 190.9 secs Computing kpt #: 185 total cpu time spent up to now is 191.8 secs Computing kpt #: 186 total cpu time spent up to now is 192.8 secs Computing kpt #: 187 total cpu time spent up to now is 193.8 secs Computing kpt #: 188 total cpu time spent up to now is 194.8 secs Computing kpt #: 189 total cpu time spent up to now is 195.8 secs Computing kpt #: 190 total cpu time spent up to now is 196.8 secs Computing kpt #: 191 total cpu time spent up to now is 198.0 secs Computing kpt #: 192 total cpu time spent up to now is 199.1 secs Computing kpt #: 193 total cpu time spent up to now is 200.2 secs Computing kpt #: 194 total cpu time spent up to now is 201.3 secs Computing kpt #: 195 total cpu time spent up to now is 202.4 secs Computing kpt #: 196 total cpu time spent up to now is 203.5 secs Computing kpt #: 197 total cpu time spent up to now is 204.6 secs Computing kpt #: 198 total cpu time spent up to now is 205.7 secs Computing kpt #: 199 total cpu time spent up to now is 206.7 secs Computing kpt #: 200 total cpu time spent up to now is 207.8 secs Computing kpt #: 201 total cpu time spent up to now is 208.8 secs Computing kpt #: 202 total cpu time spent up to now is 209.9 secs Computing kpt #: 203 total cpu time spent up to now is 211.0 secs Computing kpt #: 204 total cpu time spent up to now is 212.1 secs Computing kpt #: 205 total cpu time spent up to now is 213.1 secs Computing kpt #: 206 total cpu time spent up to now is 214.2 secs Computing kpt #: 207 total cpu time spent up to now is 215.3 secs Computing kpt #: 208 total cpu time spent up to now is 216.4 secs Computing kpt #: 209 total cpu time spent up to now is 217.5 secs Computing kpt #: 210 total cpu time spent up to now is 218.6 secs Computing kpt #: 211 total cpu time spent up to now is 219.6 secs Computing kpt #: 212 total cpu time spent up to now is 220.6 secs Computing kpt #: 213 total cpu time spent up to now is 221.6 secs Computing kpt #: 214 total cpu time spent up to now is 222.6 secs Computing kpt #: 215 total cpu time spent up to now is 223.5 secs Computing kpt #: 216 total cpu time spent up to now is 224.4 secs Computing kpt #: 217 total cpu time spent up to now is 225.3 secs Computing kpt #: 218 total cpu time spent up to now is 226.2 secs Computing kpt #: 219 total cpu time spent up to now is 227.1 secs Computing kpt #: 220 total cpu time spent up to now is 227.9 secs Computing kpt #: 221 total cpu time spent up to now is 228.8 secs Computing kpt #: 222 total cpu time spent up to now is 229.7 secs Computing kpt #: 223 total cpu time spent up to now is 230.5 secs Computing kpt #: 224 total cpu time spent up to now is 231.4 secs Computing kpt #: 225 total cpu time spent up to now is 232.3 secs Computing kpt #: 226 total cpu time spent up to now is 233.1 secs Computing kpt #: 227 total cpu time spent up to now is 234.0 secs Computing kpt #: 228 total cpu time spent up to now is 234.8 secs Computing kpt #: 229 total cpu time spent up to now is 235.7 secs Computing kpt #: 230 total cpu time spent up to now is 236.6 secs Computing kpt #: 231 total cpu time spent up to now is 237.5 secs Computing kpt #: 232 total cpu time spent up to now is 238.4 secs Computing kpt #: 233 total cpu time spent up to now is 239.3 secs Computing kpt #: 234 total cpu time spent up to now is 240.2 secs Computing kpt #: 235 total cpu time spent up to now is 241.0 secs Computing kpt #: 236 total cpu time spent up to now is 241.9 secs Computing kpt #: 237 total cpu time spent up to now is 242.8 secs Computing kpt #: 238 total cpu time spent up to now is 243.7 secs Computing kpt #: 239 total cpu time spent up to now is 244.6 secs Computing kpt #: 240 total cpu time spent up to now is 245.5 secs Computing kpt #: 241 total cpu time spent up to now is 246.4 secs Computing kpt #: 242 total cpu time spent up to now is 247.3 secs Computing kpt #: 243 total cpu time spent up to now is 248.2 secs Computing kpt #: 244 total cpu time spent up to now is 249.1 secs Computing kpt #: 245 total cpu time spent up to now is 250.0 secs Computing kpt #: 246 total cpu time spent up to now is 250.9 secs Computing kpt #: 247 total cpu time spent up to now is 251.8 secs Computing kpt #: 248 total cpu time spent up to now is 252.7 secs Computing kpt #: 249 total cpu time spent up to now is 253.6 secs Computing kpt #: 250 total cpu time spent up to now is 254.5 secs Computing kpt #: 251 total cpu time spent up to now is 255.4 secs Computing kpt #: 252 total cpu time spent up to now is 256.3 secs Computing kpt #: 253 total cpu time spent up to now is 257.2 secs Computing kpt #: 254 total cpu time spent up to now is 258.1 secs Computing kpt #: 255 total cpu time spent up to now is 259.1 secs Computing kpt #: 256 total cpu time spent up to now is 260.1 secs Computing kpt #: 257 total cpu time spent up to now is 261.2 secs Computing kpt #: 258 total cpu time spent up to now is 262.3 secs Computing kpt #: 259 total cpu time spent up to now is 263.4 secs Computing kpt #: 260 total cpu time spent up to now is 264.5 secs Computing kpt #: 261 total cpu time spent up to now is 265.5 secs Computing kpt #: 262 total cpu time spent up to now is 266.6 secs Computing kpt #: 263 total cpu time spent up to now is 267.6 secs Computing kpt #: 264 total cpu time spent up to now is 268.6 secs Computing kpt #: 265 total cpu time spent up to now is 269.6 secs Computing kpt #: 266 total cpu time spent up to now is 270.6 secs Computing kpt #: 267 total cpu time spent up to now is 271.6 secs Computing kpt #: 268 total cpu time spent up to now is 272.6 secs Computing kpt #: 269 total cpu time spent up to now is 273.6 secs Computing kpt #: 270 total cpu time spent up to now is 274.5 secs Computing kpt #: 271 total cpu time spent up to now is 275.5 secs Computing kpt #: 272 total cpu time spent up to now is 276.5 secs Computing kpt #: 273 total cpu time spent up to now is 277.5 secs Computing kpt #: 274 total cpu time spent up to now is 278.4 secs Computing kpt #: 275 total cpu time spent up to now is 279.4 secs Computing kpt #: 276 total cpu time spent up to now is 280.4 secs Computing kpt #: 277 total cpu time spent up to now is 281.3 secs Computing kpt #: 278 total cpu time spent up to now is 282.1 secs Computing kpt #: 279 total cpu time spent up to now is 283.0 secs Computing kpt #: 280 total cpu time spent up to now is 283.9 secs Computing kpt #: 281 total cpu time spent up to now is 284.8 secs Computing kpt #: 282 total cpu time spent up to now is 285.8 secs Computing kpt #: 283 total cpu time spent up to now is 286.6 secs Computing kpt #: 284 total cpu time spent up to now is 287.6 secs Computing kpt #: 285 total cpu time spent up to now is 288.5 secs Computing kpt #: 286 total cpu time spent up to now is 289.4 secs Computing kpt #: 287 total cpu time spent up to now is 290.3 secs Computing kpt #: 288 total cpu time spent up to now is 291.3 secs Computing kpt #: 289 total cpu time spent up to now is 292.3 secs Computing kpt #: 290 total cpu time spent up to now is 293.3 secs Computing kpt #: 291 total cpu time spent up to now is 294.4 secs Computing kpt #: 292 total cpu time spent up to now is 295.4 secs Computing kpt #: 293 total cpu time spent up to now is 296.4 secs Computing kpt #: 294 total cpu time spent up to now is 297.4 secs Computing kpt #: 295 total cpu time spent up to now is 298.5 secs Computing kpt #: 296 total cpu time spent up to now is 299.5 secs Computing kpt #: 297 total cpu time spent up to now is 300.6 secs Computing kpt #: 298 total cpu time spent up to now is 301.6 secs Computing kpt #: 299 total cpu time spent up to now is 302.7 secs Computing kpt #: 300 total cpu time spent up to now is 303.8 secs Computing kpt #: 301 total cpu time spent up to now is 304.8 secs Computing kpt #: 302 total cpu time spent up to now is 305.9 secs Computing kpt #: 303 total cpu time spent up to now is 307.0 secs Computing kpt #: 304 total cpu time spent up to now is 308.1 secs Computing kpt #: 305 total cpu time spent up to now is 309.1 secs Computing kpt #: 306 total cpu time spent up to now is 310.2 secs Computing kpt #: 307 total cpu time spent up to now is 311.3 secs Computing kpt #: 308 total cpu time spent up to now is 312.3 secs Computing kpt #: 309 total cpu time spent up to now is 313.3 secs Computing kpt #: 310 total cpu time spent up to now is 314.3 secs Computing kpt #: 311 total cpu time spent up to now is 315.2 secs Computing kpt #: 312 total cpu time spent up to now is 316.2 secs Computing kpt #: 313 total cpu time spent up to now is 317.1 secs Computing kpt #: 314 total cpu time spent up to now is 318.0 secs Computing kpt #: 315 total cpu time spent up to now is 318.9 secs Computing kpt #: 316 total cpu time spent up to now is 319.9 secs Computing kpt #: 317 total cpu time spent up to now is 320.8 secs Computing kpt #: 318 total cpu time spent up to now is 321.9 secs Computing kpt #: 319 total cpu time spent up to now is 324.1 secs Computing kpt #: 320 total cpu time spent up to now is 326.3 secs Computing kpt #: 321 total cpu time spent up to now is 327.4 secs Computing kpt #: 322 total cpu time spent up to now is 328.4 secs Computing kpt #: 323 total cpu time spent up to now is 329.5 secs Computing kpt #: 324 total cpu time spent up to now is 330.6 secs Computing kpt #: 325 total cpu time spent up to now is 331.7 secs Computing kpt #: 326 total cpu time spent up to now is 332.8 secs Computing kpt #: 327 total cpu time spent up to now is 333.9 secs Computing kpt #: 328 total cpu time spent up to now is 334.9 secs Computing kpt #: 329 total cpu time spent up to now is 335.9 secs Computing kpt #: 330 total cpu time spent up to now is 337.0 secs Computing kpt #: 331 total cpu time spent up to now is 338.0 secs Computing kpt #: 332 total cpu time spent up to now is 339.1 secs Computing kpt #: 333 total cpu time spent up to now is 340.1 secs Computing kpt #: 334 total cpu time spent up to now is 341.1 secs Computing kpt #: 335 total cpu time spent up to now is 342.2 secs Computing kpt #: 336 total cpu time spent up to now is 343.2 secs Computing kpt #: 337 total cpu time spent up to now is 344.2 secs Computing kpt #: 338 total cpu time spent up to now is 345.2 secs Computing kpt #: 339 total cpu time spent up to now is 346.3 secs Computing kpt #: 340 total cpu time spent up to now is 347.2 secs Computing kpt #: 341 total cpu time spent up to now is 348.2 secs Computing kpt #: 342 total cpu time spent up to now is 349.2 secs Computing kpt #: 343 total cpu time spent up to now is 350.3 secs Computing kpt #: 344 total cpu time spent up to now is 351.3 secs Computing kpt #: 345 total cpu time spent up to now is 352.4 secs Computing kpt #: 346 total cpu time spent up to now is 353.4 secs Computing kpt #: 347 total cpu time spent up to now is 354.5 secs Computing kpt #: 348 total cpu time spent up to now is 355.6 secs Computing kpt #: 349 total cpu time spent up to now is 356.6 secs Computing kpt #: 350 total cpu time spent up to now is 357.7 secs Computing kpt #: 351 total cpu time spent up to now is 358.8 secs Computing kpt #: 352 total cpu time spent up to now is 359.9 secs Computing kpt #: 353 total cpu time spent up to now is 360.9 secs Computing kpt #: 354 total cpu time spent up to now is 362.0 secs Computing kpt #: 355 total cpu time spent up to now is 363.1 secs Computing kpt #: 356 total cpu time spent up to now is 364.1 secs Computing kpt #: 357 total cpu time spent up to now is 365.2 secs Computing kpt #: 358 total cpu time spent up to now is 366.2 secs Computing kpt #: 359 total cpu time spent up to now is 367.3 secs Computing kpt #: 360 total cpu time spent up to now is 368.3 secs Computing kpt #: 361 total cpu time spent up to now is 369.3 secs Computing kpt #: 362 total cpu time spent up to now is 370.3 secs Computing kpt #: 363 total cpu time spent up to now is 371.3 secs Computing kpt #: 364 total cpu time spent up to now is 372.3 secs Computing kpt #: 365 total cpu time spent up to now is 373.2 secs Computing kpt #: 366 total cpu time spent up to now is 374.2 secs Computing kpt #: 367 total cpu time spent up to now is 375.1 secs Computing kpt #: 368 total cpu time spent up to now is 376.0 secs Computing kpt #: 369 total cpu time spent up to now is 376.9 secs Computing kpt #: 370 total cpu time spent up to now is 377.8 secs Computing kpt #: 371 total cpu time spent up to now is 378.7 secs Computing kpt #: 372 total cpu time spent up to now is 379.6 secs Computing kpt #: 373 total cpu time spent up to now is 380.5 secs Computing kpt #: 374 total cpu time spent up to now is 381.3 secs Computing kpt #: 375 total cpu time spent up to now is 382.2 secs Computing kpt #: 376 total cpu time spent up to now is 383.1 secs Computing kpt #: 377 total cpu time spent up to now is 384.0 secs Computing kpt #: 378 total cpu time spent up to now is 384.9 secs Computing kpt #: 379 total cpu time spent up to now is 385.9 secs Computing kpt #: 380 total cpu time spent up to now is 386.8 secs Computing kpt #: 381 total cpu time spent up to now is 387.7 secs Computing kpt #: 382 total cpu time spent up to now is 388.7 secs Computing kpt #: 383 total cpu time spent up to now is 389.6 secs Computing kpt #: 384 total cpu time spent up to now is 390.6 secs Computing kpt #: 385 total cpu time spent up to now is 391.6 secs Computing kpt #: 386 total cpu time spent up to now is 392.6 secs Computing kpt #: 387 total cpu time spent up to now is 393.5 secs Computing kpt #: 388 total cpu time spent up to now is 394.5 secs Computing kpt #: 389 total cpu time spent up to now is 395.5 secs Computing kpt #: 390 total cpu time spent up to now is 396.4 secs Computing kpt #: 391 total cpu time spent up to now is 397.4 secs Computing kpt #: 392 total cpu time spent up to now is 398.3 secs Computing kpt #: 393 total cpu time spent up to now is 399.2 secs Computing kpt #: 394 total cpu time spent up to now is 400.1 secs Computing kpt #: 395 total cpu time spent up to now is 400.9 secs Computing kpt #: 396 total cpu time spent up to now is 401.6 secs Computing kpt #: 397 total cpu time spent up to now is 402.4 secs Computing kpt #: 398 total cpu time spent up to now is 403.2 secs Computing kpt #: 399 total cpu time spent up to now is 403.9 secs Computing kpt #: 400 total cpu time spent up to now is 404.7 secs Computing kpt #: 401 total cpu time spent up to now is 405.6 secs Computing kpt #: 402 total cpu time spent up to now is 406.5 secs Computing kpt #: 403 total cpu time spent up to now is 407.3 secs Computing kpt #: 404 total cpu time spent up to now is 408.2 secs Computing kpt #: 405 total cpu time spent up to now is 409.1 secs Computing kpt #: 406 total cpu time spent up to now is 410.0 secs Computing kpt #: 407 total cpu time spent up to now is 410.9 secs Computing kpt #: 408 total cpu time spent up to now is 411.8 secs Computing kpt #: 409 total cpu time spent up to now is 412.7 secs Computing kpt #: 410 total cpu time spent up to now is 413.6 secs Computing kpt #: 411 total cpu time spent up to now is 414.5 secs Computing kpt #: 412 total cpu time spent up to now is 415.4 secs Computing kpt #: 413 total cpu time spent up to now is 416.3 secs Computing kpt #: 414 total cpu time spent up to now is 417.3 secs Computing kpt #: 415 total cpu time spent up to now is 418.2 secs Computing kpt #: 416 total cpu time spent up to now is 419.1 secs Computing kpt #: 417 total cpu time spent up to now is 420.1 secs Computing kpt #: 418 total cpu time spent up to now is 421.2 secs Computing kpt #: 419 total cpu time spent up to now is 422.2 secs Computing kpt #: 420 total cpu time spent up to now is 423.2 secs ethr = 2.78E-11, avg # of iterations = 32.2 total cpu time spent up to now is 423.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4329 PWs) bands (ev): -3.3079 -3.3079 -0.6780 -0.6780 -0.2835 -0.2835 0.1470 0.1470 3.3946 3.3946 4.5028 4.5028 5.5831 5.5831 6.3107 6.3107 6.3454 6.3454 7.1690 7.1690 7.8379 7.8379 8.0685 8.0685 8.1293 8.1293 8.2148 8.2148 8.6232 8.6232 8.8271 8.8271 8.8774 8.8774 8.9971 8.9971 10.3022 10.3022 11.3319 11.3319 12.7858 12.7858 13.3058 13.3058 k = 0.0100-0.0000-0.0000 ( 4317 PWs) bands (ev): -3.3065 -3.3065 -0.6768 -0.6768 -0.2822 -0.2822 0.1482 0.1482 3.3962 3.3962 4.5040 4.5040 5.5837 5.5837 6.3119 6.3119 6.3461 6.3461 7.1696 7.1696 7.8370 7.8370 8.0685 8.0685 8.1291 8.1291 8.2148 8.2148 8.6231 8.6231 8.8261 8.8261 8.8769 8.8769 8.9970 8.9970 10.3018 10.3018 11.3187 11.3187 12.7843 12.7843 13.3024 13.3024 k = 0.0200-0.0000-0.0000 ( 4321 PWs) bands (ev): -3.3021 -3.3021 -0.6730 -0.6730 -0.2783 -0.2783 0.1519 0.1519 3.4010 3.4010 4.5078 4.5078 5.5856 5.5856 6.3156 6.3156 6.3480 6.3480 7.1713 7.1713 7.8340 7.8340 8.0682 8.0682 8.1286 8.1286 8.2145 8.2145 8.6227 8.6227 8.8233 8.8233 8.8751 8.8751 8.9965 8.9965 10.3004 10.3004 11.2797 11.2797 12.7793 12.7793 13.2917 13.2917 k = 0.0300-0.0000-0.0000 ( 4321 PWs) bands (ev): -3.2948 -3.2948 -0.6667 -0.6667 -0.2718 -0.2718 0.1580 0.1580 3.4090 3.4090 4.5140 4.5140 5.5887 5.5887 6.3218 6.3218 6.3512 6.3512 7.1741 7.1741 7.8289 7.8289 8.0677 8.0677 8.1277 8.1277 8.2140 8.2140 8.6219 8.6219 8.8187 8.8187 8.8722 8.8722 8.9957 8.9957 10.2978 10.2978 11.2172 11.2172 12.7703 12.7703 13.2732 13.2732 k = 0.0400-0.0000-0.0000 ( 4333 PWs) bands (ev): -3.2845 -3.2845 -0.6579 -0.6579 -0.2627 -0.2627 0.1665 0.1665 3.4202 3.4202 4.5228 4.5228 5.5930 5.5930 6.3304 6.3304 6.3556 6.3556 7.1780 7.1780 7.8213 7.8213 8.0670 8.0670 8.1264 8.1264 8.2133 8.2133 8.6209 8.6209 8.8120 8.8120 8.8683 8.8683 8.9946 8.9946 10.2936 10.2936 11.1343 11.1343 12.7560 12.7560 13.2458 13.2458 k = 0.0500-0.0000-0.0000 ( 4343 PWs) bands (ev): -3.2714 -3.2714 -0.6467 -0.6467 -0.2511 -0.2511 0.1774 0.1774 3.4346 3.4346 4.5340 4.5340 5.5985 5.5985 6.3413 6.3413 6.3612 6.3612 7.1829 7.1829 7.8112 7.8112 8.0660 8.0660 8.1246 8.1246 8.2123 8.2123 8.6195 8.6195 8.8035 8.8035 8.8632 8.8632 8.9931 8.9931 10.2873 10.2873 11.0352 11.0352 12.7344 12.7344 13.2085 13.2085 k = 0.0600-0.0000-0.0000 ( 4347 PWs) bands (ev): -3.2553 -3.2553 -0.6329 -0.6329 -0.2368 -0.2368 0.1908 0.1908 3.4522 3.4522 4.5477 4.5477 5.6052 5.6052 6.3546 6.3546 6.3681 6.3681 7.1890 7.1890 7.7979 7.7979 8.0647 8.0647 8.1224 8.1224 8.2110 8.2110 8.6178 8.6178 8.7931 8.7931 8.8570 8.8570 8.9912 8.9912 10.2779 10.2779 10.9247 10.9247 12.7026 12.7026 13.1607 13.1607 k = 0.0700-0.0000-0.0000 ( 4339 PWs) bands (ev): -3.2363 -3.2363 -0.6167 -0.6167 -0.2200 -0.2200 0.2066 0.2066 3.4729 3.4729 4.5638 4.5638 5.6129 5.6129 6.3701 6.3701 6.3763 6.3763 7.1962 7.1962 7.7811 7.7811 8.0632 8.0632 8.1198 8.1198 8.2093 8.2093 8.6158 8.6158 8.7810 8.7810 8.8497 8.8497 8.9889 8.9889 10.2630 10.2630 10.8088 10.8088 12.6570 12.6570 13.1031 13.1031 k = 0.0800-0.0000-0.0000 ( 4335 PWs) bands (ev): -3.2144 -3.2144 -0.5981 -0.5981 -0.2007 -0.2007 0.2247 0.2247 3.4968 3.4968 4.5823 4.5823 5.6217 5.6217 6.3842 6.3842 6.3891 6.3891 7.2044 7.2044 7.7600 7.7600 8.0613 8.0613 8.1166 8.1166 8.2071 8.2071 8.6134 8.6134 8.7670 8.7670 8.8414 8.8414 8.9861 8.9861 10.2390 10.2390 10.6949 10.6949 12.5934 12.5934 13.0372 13.0372 k = 0.0900-0.0000-0.0000 ( 4337 PWs) bands (ev): -3.1895 -3.1895 -0.5770 -0.5770 -0.1787 -0.1787 0.2453 0.2453 3.5238 3.5238 4.6033 4.6033 5.6314 5.6314 6.3947 6.3947 6.4088 6.4088 7.2136 7.2136 7.7338 7.7338 8.0591 8.0591 8.1127 8.1127 8.2042 8.2042 8.6105 8.6105 8.7511 8.7511 8.8320 8.8320 8.9827 8.9827 10.1991 10.1991 10.5931 10.5931 12.5088 12.5088 12.9646 12.9646 k = 0.1000-0.0000-0.0000 ( 4333 PWs) bands (ev): -3.1618 -3.1618 -0.5536 -0.5536 -0.1543 -0.1543 0.2682 0.2682 3.5540 3.5540 4.6266 4.6266 5.6420 5.6420 6.4057 6.4057 6.4310 6.4310 7.2238 7.2238 7.7017 7.7017 8.0564 8.0564 8.1080 8.1080 8.2005 8.2005 8.6073 8.6073 8.7336 8.7336 8.8216 8.8216 8.9787 8.9787 10.1361 10.1361 10.5140 10.5140 12.4029 12.4029 12.8849 12.8849 k = 0.1100-0.0000-0.0000 ( 4337 PWs) bands (ev): -3.1312 -3.1312 -0.5279 -0.5279 -0.1273 -0.1273 0.2935 0.2935 3.5872 3.5872 4.6522 4.6522 5.6534 5.6534 6.4176 6.4176 6.4552 6.4552 7.2349 7.2349 7.6625 7.6625 8.0530 8.0530 8.1024 8.1024 8.1957 8.1957 8.6035 8.6035 8.7144 8.7144 8.8101 8.8101 8.9738 8.9738 10.0491 10.0491 10.4615 10.4615 12.2780 12.2780 12.7958 12.7958 k = 0.1200-0.0000-0.0000 ( 4337 PWs) bands (ev): -3.0977 -3.0977 -0.4998 -0.4998 -0.0977 -0.0977 0.3212 0.3212 3.6236 3.6236 4.6800 4.6800 5.6655 5.6655 6.4302 6.4302 6.4814 6.4814 7.2470 7.2470 7.6152 7.6152 8.0491 8.0491 8.0957 8.0957 8.1897 8.1897 8.5993 8.5993 8.6937 8.6937 8.7976 8.7976 8.9681 8.9681 9.9469 9.9469 10.4295 10.4295 12.1381 12.1381 12.6948 12.6948 k = 0.1300-0.0000-0.0000 ( 4333 PWs) bands (ev): -3.0613 -3.0613 -0.4695 -0.4695 -0.0657 -0.0657 0.3511 0.3511 3.6630 3.6630 4.7101 4.7101 5.6781 5.6781 6.4434 6.4434 6.5093 6.5093 7.2599 7.2599 7.5585 7.5585 8.0446 8.0446 8.0875 8.0875 8.1822 8.1822 8.5945 8.5945 8.6716 8.6716 8.7841 8.7841 8.9613 8.9613 9.8402 9.8402 10.4101 10.4101 11.9873 11.9873 12.5807 12.5807 k = 0.1400-0.0000-0.0000 ( 4325 PWs) bands (ev): -3.0220 -3.0220 -0.4370 -0.4370 -0.0312 -0.0312 0.3833 0.3833 3.7055 3.7055 4.7422 4.7422 5.6912 5.6912 6.4572 6.4572 6.5389 6.5389 7.2735 7.2735 7.4916 7.4916 8.0391 8.0391 8.0776 8.0776 8.1731 8.1731 8.5892 8.5892 8.6484 8.6484 8.7695 8.7695 8.9535 8.9535 9.7367 9.7367 10.3978 10.3978 11.8294 11.8294 12.4549 12.4549 k = 0.1500-0.0000-0.0000 ( 4323 PWs) bands (ev): -2.9799 -2.9799 -0.4024 -0.4024 0.0057 0.0057 0.4178 0.4178 3.7510 3.7510 4.7765 4.7765 5.7045 5.7045 6.4713 6.4713 6.5699 6.5699 7.2876 7.2876 7.4139 7.4139 8.0324 8.0324 8.0655 8.0655 8.1620 8.1620 8.5833 8.5833 8.6244 8.6244 8.7540 8.7540 8.9445 8.9445 9.6411 9.6411 10.3896 10.3896 11.6675 11.6675 12.3202 12.3202 k = 0.1600-0.0000-0.0000 ( 4321 PWs) bands (ev): -2.9350 -2.9350 -0.3657 -0.3657 0.0451 0.0451 0.4546 0.4546 3.7994 3.7994 4.8126 4.8126 5.7180 5.7180 6.4856 6.4856 6.6021 6.6021 7.2973 7.2973 7.3300 7.3300 8.0241 8.0241 8.0507 8.0507 8.1487 8.1487 8.5762 8.5762 8.6005 8.6005 8.7375 8.7375 8.9345 8.9345 9.5561 9.5561 10.3840 10.3840 11.5042 11.5042 12.1800 12.1800 k = 0.1700-0.0000-0.0000 ( 4325 PWs) bands (ev): -2.8872 -2.8872 -0.3270 -0.3270 0.0869 0.0869 0.4935 0.4935 3.8509 3.8509 4.8505 4.8505 5.7314 5.7314 6.4997 6.4997 6.6353 6.6353 7.2203 7.2203 7.3225 7.3225 8.0135 8.0135 8.0326 8.0326 8.1334 8.1334 8.5658 8.5658 8.5796 8.5796 8.7200 8.7200 8.9237 8.9237 9.4830 9.4830 10.3800 10.3800 11.3417 11.3417 12.0376 12.0376 k = 0.1800-0.0000-0.0000 ( 4337 PWs) bands (ev): -2.8366 -2.8366 -0.2865 -0.2865 0.1311 0.1311 0.5345 0.5345 3.9052 3.9052 4.8900 4.8900 5.7444 5.7444 6.5131 6.5131 6.6691 6.6691 7.1108 7.1108 7.3383 7.3383 7.9993 7.9993 8.0105 8.0105 8.1163 8.1163 8.5464 8.5464 8.5674 8.5674 8.7016 8.7016 8.9124 8.9124 9.4219 9.4219 10.3770 10.3770 11.1819 11.1819 11.8957 11.8957 k = 0.1900-0.0000-0.0000 ( 4339 PWs) bands (ev): -2.7831 -2.7831 -0.2442 -0.2442 0.1776 0.1776 0.5777 0.5777 3.9624 3.9624 4.9309 4.9309 5.7569 5.7569 6.5249 6.5249 6.7032 6.7032 6.9929 6.9929 7.3553 7.3553 7.9786 7.9786 7.9852 7.9852 8.0985 8.0985 8.5240 8.5240 8.5590 8.5590 8.6824 8.6824 8.9011 8.9011 9.3720 9.3720 10.3748 10.3748 11.0266 11.0266 11.7568 11.7568 k = 0.2000-0.0000-0.0000 ( 4343 PWs) bands (ev): -2.7269 -2.7269 -0.2003 -0.2003 0.2264 0.2264 0.6229 0.6229 4.0224 4.0224 4.9728 4.9728 5.7684 5.7684 6.5327 6.5327 6.7371 6.7371 6.8711 6.8711 7.3730 7.3730 7.9478 7.9478 7.9577 7.9577 8.0811 8.0811 8.5024 8.5024 8.5510 8.5510 8.6623 8.6623 8.8905 8.8905 9.3320 9.3320 10.3731 10.3731 10.8774 10.8774 11.6226 11.6226 k = 0.2100-0.0000-0.0000 ( 4359 PWs) bands (ev): -2.6680 -2.6680 -0.1548 -0.1548 0.2774 0.2774 0.6701 0.6701 4.0852 4.0852 5.0153 5.0153 5.7787 5.7787 6.5292 6.5292 6.7531 6.7531 6.7719 6.7719 7.3909 7.3909 7.9088 7.9088 7.9237 7.9237 8.0650 8.0650 8.4825 8.4825 8.5427 8.5427 8.6414 8.6414 8.8809 8.8809 9.3003 9.3003 10.3714 10.3714 10.7359 10.7359 11.4949 11.4949 k = 0.2200-0.0000-0.0000 ( 4357 PWs) bands (ev): -2.6063 -2.6063 -0.1081 -0.1081 0.3307 0.3307 0.7192 0.7192 4.1507 4.1507 5.0576 5.0576 5.7871 5.7871 6.4896 6.4896 6.6704 6.6704 6.8028 6.8028 7.4088 7.4088 7.8627 7.8627 7.8816 7.8816 8.0507 8.0507 8.4650 8.4650 8.5340 8.5340 8.6198 8.6198 8.8729 8.8729 9.2755 9.2755 10.3691 10.3691 10.6038 10.6038 11.3749 11.3749 k = 0.2300-0.0000-0.0000 ( 4355 PWs) bands (ev): -2.5419 -2.5419 -0.0602 -0.0602 0.3861 0.3861 0.7702 0.7702 4.2189 4.2189 5.0988 5.0988 5.7927 5.7927 6.3942 6.3942 6.6419 6.6419 6.8326 6.8326 7.4260 7.4260 7.8094 7.8094 7.8318 7.8318 8.0375 8.0375 8.4497 8.4497 8.5243 8.5243 8.5980 8.5980 8.8667 8.8667 9.2562 9.2562 10.3633 10.3633 10.4851 10.4851 11.2636 11.2636 k = 0.2400-0.0000-0.0000 ( 4351 PWs) bands (ev): -2.4748 -2.4748 -0.0114 -0.0114 0.4436 0.4436 0.8229 0.8229 4.2896 4.2896 5.1369 5.1369 5.7943 5.7943 6.2756 6.2756 6.6400 6.6400 6.8591 6.8591 7.4412 7.4412 7.7490 7.7490 7.7766 7.7766 8.0250 8.0250 8.4368 8.4368 8.5130 8.5130 8.5767 8.5767 8.8624 8.8624 9.2413 9.2413 10.3306 10.3306 10.4037 10.4037 11.1618 11.1618 k = 0.2500-0.0000-0.0000 ( 4351 PWs) bands (ev): -2.4050 -2.4050 0.0381 0.0381 0.5030 0.5030 0.8773 0.8773 4.3628 4.3628 5.1692 5.1692 5.7897 5.7897 6.1594 6.1594 6.6448 6.6448 6.8808 6.8808 7.4519 7.4519 7.6821 7.6821 7.7199 7.7199 8.0124 8.0124 8.4258 8.4258 8.4987 8.4987 8.5572 8.5572 8.8600 8.8600 9.2298 9.2298 10.2454 10.2454 10.3858 10.3858 11.0703 11.0703 k = 0.2600-0.0000-0.0000 ( 4343 PWs) bands (ev): -2.3326 -2.3326 0.0879 0.0879 0.5644 0.5644 0.9333 0.9333 4.4384 4.4384 5.1906 5.1906 5.7755 5.7755 6.0599 6.0599 6.6506 6.6506 6.8955 6.8955 7.4521 7.4521 7.6105 7.6105 7.6687 7.6687 7.9991 7.9991 8.4165 8.4165 8.4801 8.4801 8.5413 8.5413 8.8595 8.8595 9.2211 9.2211 10.1561 10.1561 10.3830 10.3830 10.9895 10.9895 k = 0.2700-0.0000-0.0000 ( 4349 PWs) bands (ev): -2.2577 -2.2577 0.1378 0.1378 0.6276 0.6276 0.9906 0.9906 4.5161 4.5161 5.1932 5.1932 5.7509 5.7509 5.9888 5.9888 6.6548 6.6548 6.8999 6.8999 7.4314 7.4314 7.5378 7.5378 7.6341 7.6341 7.9847 7.9847 8.4083 8.4083 8.4574 8.4574 8.5292 8.5292 8.8606 8.8606 9.2146 9.2146 10.0749 10.0749 10.3830 10.3830 10.9195 10.9195 k = 0.2800-0.0000-0.0000 ( 4351 PWs) bands (ev): -2.1802 -2.1802 0.1873 0.1873 0.6926 0.6926 1.0493 1.0493 4.5957 4.5957 5.1677 5.1677 5.7250 5.7250 5.9476 5.9476 6.6556 6.6556 6.8897 6.8897 7.3850 7.3850 7.4692 7.4692 7.6222 7.6222 7.9686 7.9686 8.4003 8.4003 8.4325 8.4325 8.5202 8.5202 8.8631 8.8631 9.2100 9.2100 10.0031 10.0031 10.3840 10.3840 10.8606 10.8606 k = 0.2900-0.0000-0.0000 ( 4343 PWs) bands (ev): -2.1002 -2.1002 0.2360 0.2360 0.7591 0.7591 1.1092 1.1092 4.6765 4.6765 5.1100 5.1100 5.7125 5.7125 5.9271 5.9271 6.6508 6.6508 6.8598 6.8598 7.3222 7.3222 7.4102 7.4102 7.6258 7.6258 7.9504 7.9504 8.3899 8.3899 8.4095 8.4095 8.5135 8.5135 8.8668 8.8668 9.2069 9.2069 9.9402 9.9402 10.3858 10.3858 10.8108 10.8108 k = 0.3000-0.0000-0.0000 ( 4343 PWs) bands (ev): -2.0178 -2.0178 0.2834 0.2834 0.8271 0.8271 1.1699 1.1699 4.7565 4.7565 5.0278 5.0278 5.7169 5.7169 5.9191 5.9191 6.6378 6.6378 6.8065 6.8065 7.2552 7.2552 7.3649 7.3649 7.6357 7.6357 7.9297 7.9297 8.3702 8.3702 8.3961 8.3961 8.5088 8.5088 8.8714 8.8714 9.2051 9.2051 9.8857 9.8857 10.3882 10.3882 10.7337 10.7337 k = 0.3100-0.0000-0.0000 ( 4335 PWs) bands (ev): -1.9331 -1.9331 0.3288 0.3288 0.8963 0.8963 1.2315 1.2315 4.8205 4.8205 4.9465 4.9465 5.7303 5.7303 5.9215 5.9215 6.6123 6.6123 6.7311 6.7311 7.1920 7.1920 7.3337 7.3337 7.6468 7.6468 7.9064 7.9064 8.3460 8.3460 8.3887 8.3887 8.5062 8.5062 8.8768 8.8768 9.2046 9.2046 9.8387 9.8387 10.3911 10.3911 10.6671 10.6671 k = 0.3200-0.0000-0.0000 ( 4337 PWs) bands (ev): -1.8460 -1.8460 0.3717 0.3717 0.9668 0.9668 1.2935 1.2935 4.7805 4.7805 4.9635 4.9635 5.7420 5.7420 5.9363 5.9363 6.5672 6.5672 6.6419 6.6419 7.1380 7.1380 7.3142 7.3142 7.6555 7.6555 7.8809 7.8809 8.3225 8.3225 8.3824 8.3824 8.5060 8.5060 8.8826 8.8826 9.2051 9.2051 9.7981 9.7981 10.3945 10.3945 10.6128 10.6128 k = 0.3300-0.0000-0.0000 ( 4337 PWs) bands (ev): -1.7568 -1.7568 0.4113 0.4113 1.0381 1.0381 1.3558 1.3558 4.6782 4.6782 5.0429 5.0429 5.7446 5.7446 5.9655 5.9655 6.4874 6.4874 6.5579 6.5579 7.0964 7.0964 7.3021 7.3021 7.6596 7.6596 7.8537 7.8537 8.3015 8.3015 8.3762 8.3762 8.5085 8.5085 8.8887 8.8887 9.2066 9.2066 9.7630 9.7630 10.3985 10.3985 10.5706 10.5706 k = 0.3400-0.0000-0.0000 ( 4333 PWs) bands (ev): -1.6654 -1.6654 0.4467 0.4467 1.1101 1.1101 1.4181 1.4181 4.5713 4.5713 5.1309 5.1309 5.7366 5.7366 6.0065 6.0065 6.3759 6.3759 6.4823 6.4823 7.0678 7.0678 7.2937 7.2937 7.6568 7.6568 7.8260 7.8260 8.2834 8.2834 8.3699 8.3699 8.5141 8.5141 8.8947 8.8947 9.2091 9.2091 9.7327 9.7327 10.4031 10.4031 10.5399 10.5399 k = 0.3500-0.0000-0.0000 ( 4329 PWs) bands (ev): -1.5720 -1.5720 0.4771 0.4771 1.1825 1.1825 1.4800 1.4800 4.4685 4.4685 5.2212 5.2212 5.7198 5.7198 6.0529 6.0529 6.2537 6.2537 6.4031 6.4031 7.0506 7.0506 7.2865 7.2865 7.6456 7.6456 7.7989 7.7989 8.2684 8.2684 8.3632 8.3632 8.5232 8.5232 8.9006 8.9006 9.2127 9.2127 9.7060 9.7060 10.4082 10.4082 10.5204 10.5204 k = 0.3600-0.0000-0.0000 ( 4327 PWs) bands (ev): -1.4767 -1.4767 0.5015 0.5015 1.2550 1.2550 1.5412 1.5412 4.3731 4.3731 5.3123 5.3123 5.6966 5.6966 6.0713 6.0713 6.1574 6.1574 6.3205 6.3205 7.0422 7.0422 7.2787 7.2787 7.6258 7.6258 7.7727 7.7727 8.2562 8.2562 8.3562 8.3562 8.5358 8.5358 8.9060 8.9060 9.2173 9.2173 9.6823 9.6823 10.4142 10.4142 10.5112 10.5112 k = 0.3700-0.0000-0.0000 ( 4333 PWs) bands (ev): -1.3796 -1.3796 0.5191 0.5191 1.3274 1.3274 1.6012 1.6012 4.2871 4.2871 5.4022 5.4022 5.6684 5.6684 5.9668 5.9668 6.1705 6.1705 6.2503 6.2503 7.0400 7.0400 7.2692 7.2692 7.5989 7.5989 7.7461 7.7461 8.2467 8.2467 8.3489 8.3489 8.5520 8.5520 8.9108 8.9108 9.2229 9.2229 9.6607 9.6607 10.4210 10.4210 10.5116 10.5116 k = 0.3800-0.0000-0.0000 ( 4337 PWs) bands (ev): -1.2809 -1.2809 0.5288 0.5288 1.3991 1.3991 1.6595 1.6595 4.2122 4.2122 5.4876 5.4876 5.6367 5.6367 5.8365 5.8365 6.1263 6.1263 6.2677 6.2677 7.0423 7.0423 7.2572 7.2572 7.5671 7.5671 7.7176 7.7176 8.2394 8.2394 8.3413 8.3413 8.5715 8.5715 8.9147 8.9147 9.2296 9.2296 9.6407 9.6407 10.4289 10.4289 10.5210 10.5210 k = 0.3900-0.0000-0.0000 ( 4333 PWs) bands (ev): -1.1808 -1.1808 0.5298 0.5298 1.4698 1.4698 1.7157 1.7157 4.1499 4.1499 5.5536 5.5536 5.6040 5.6040 5.7148 5.7148 6.0520 6.0520 6.3266 6.3266 7.0478 7.0478 7.2423 7.2423 7.5327 7.5327 7.6855 7.6855 8.2342 8.2342 8.3335 8.3335 8.5937 8.5937 8.9177 8.9177 9.2375 9.2375 9.6216 9.6216 10.4378 10.4378 10.5387 10.5387 k = 0.4000-0.0000-0.0000 ( 4325 PWs) bands (ev): -1.0794 -1.0794 0.5214 0.5214 1.5389 1.5389 1.7691 1.7691 4.1010 4.1010 5.5265 5.5265 5.5610 5.5610 5.6785 5.6785 5.9924 5.9924 6.3909 6.3909 7.0553 7.0553 7.2241 7.2241 7.4974 7.4974 7.6492 7.6492 8.2306 8.2306 8.3256 8.3256 8.6180 8.6180 8.9196 8.9196 9.2465 9.2465 9.6029 9.6029 10.4476 10.4476 10.5643 10.5643 k = 0.4100-0.0000-0.0000 ( 4325 PWs) bands (ev): -0.9769 -0.9769 0.5031 0.5031 1.6059 1.6059 1.8191 1.8191 4.0664 4.0664 5.4062 5.4062 5.5229 5.5229 5.6921 5.6921 5.9746 5.9746 6.4567 6.4567 7.0643 7.0643 7.2026 7.2026 7.4623 7.4623 7.6083 7.6083 8.2284 8.2284 8.3176 8.3176 8.6437 8.6437 8.9202 8.9202 9.2567 9.2567 9.5844 9.5844 10.4585 10.4585 10.5971 10.5971 k = 0.4200-0.0000-0.0000 ( 4325 PWs) bands (ev): -0.8737 -0.8737 0.4748 0.4748 1.6703 1.6703 1.8650 1.8650 4.0465 4.0465 5.2764 5.2764 5.4854 5.4854 5.6650 5.6650 6.0131 6.0131 6.5224 6.5224 7.0736 7.0736 7.1783 7.1783 7.4278 7.4278 7.5630 7.5630 8.2273 8.2273 8.3095 8.3095 8.6703 8.6703 8.9194 8.9194 9.2682 9.2682 9.5655 9.5655 10.4705 10.4705 10.6367 10.6367 k = 0.4300-0.0000-0.0000 ( 4319 PWs) bands (ev): -0.7699 -0.7699 0.4364 0.4364 1.7313 1.7313 1.9061 1.9061 4.0414 4.0414 5.1474 5.1474 5.4490 5.4490 5.6121 5.6121 6.0850 6.0850 6.5872 6.5872 7.0812 7.0812 7.1530 7.1530 7.3944 7.3944 7.5141 7.5141 8.2275 8.2275 8.3015 8.3015 8.6969 8.6969 8.9172 8.9172 9.2810 9.2810 9.5463 9.5463 10.4837 10.4837 10.6822 10.6822 k = 0.4400-0.0000-0.0000 ( 4311 PWs) bands (ev): -0.6660 -0.6660 0.3882 0.3882 1.7883 1.7883 1.9417 1.9417 4.0509 4.0509 5.0214 5.0214 5.4152 5.4152 5.5532 5.5532 6.1697 6.1697 6.6498 6.6498 7.0795 7.0795 7.1347 7.1347 7.3621 7.3621 7.4622 7.4622 8.2286 8.2286 8.2935 8.2935 8.7232 8.7232 8.9133 8.9133 9.2949 9.2949 9.5264 9.5264 10.4984 10.4984 10.7327 10.7327 k = 0.4500-0.0000-0.0000 ( 4303 PWs) bands (ev): -0.5624 -0.5624 0.3308 0.3308 1.8404 1.8404 1.9710 1.9710 4.0745 4.0745 4.8993 4.8993 5.3851 5.3851 5.4968 5.4968 6.2586 6.2586 6.7079 6.7079 7.0588 7.0588 7.1343 7.1343 7.3305 7.3305 7.4087 7.4087 8.2307 8.2307 8.2858 8.2858 8.7486 8.7486 8.9078 8.9078 9.3099 9.3099 9.5062 9.5062 10.5148 10.5148 10.7854 10.7854 k = 0.4600-0.0000-0.0000 ( 4309 PWs) bands (ev): -0.4594 -0.4594 0.2649 0.2649 1.8870 1.8870 1.9935 1.9935 4.1115 4.1115 4.7820 4.7820 5.3599 5.3599 5.4464 5.4464 6.3482 6.3482 6.7569 6.7569 7.0304 7.0304 7.1448 7.1448 7.2984 7.2984 7.3558 7.3558 8.2335 8.2335 8.2783 8.2783 8.7728 8.7728 8.9004 8.9004 9.3262 9.3262 9.4853 9.4853 10.5332 10.5332 10.7900 10.7900 k = 0.4700-0.0000-0.0000 ( 4315 PWs) bands (ev): -0.3576 -0.3576 0.1914 0.1914 1.9274 1.9274 2.0084 2.0084 4.1611 4.1611 4.6702 4.6702 5.3410 5.3410 5.4038 5.4038 6.4364 6.4364 6.7853 6.7853 7.0121 7.0121 7.1586 7.1586 7.2623 7.2623 7.3083 7.3083 8.2371 8.2371 8.2711 8.2711 8.7953 8.7953 8.8913 8.8913 9.3435 9.3435 9.4642 9.4642 10.5537 10.5537 10.7451 10.7451 k = 0.4800-0.0000-0.0000 ( 4324 PWs) bands (ev): -0.2575 -0.2575 0.1113 0.1113 1.9608 1.9608 2.0154 2.0154 4.2223 4.2223 4.5647 4.5647 5.3293 5.3293 5.3702 5.3702 6.5215 6.5215 6.7781 6.7781 7.0210 7.0210 7.1713 7.1713 7.2202 7.2202 7.2719 7.2719 8.2413 8.2413 8.2641 8.2641 8.8162 8.8162 8.8801 8.8801 9.3619 9.3619 9.4429 9.4429 10.5769 10.5769 10.7031 10.7031 k = 0.4900-0.0000-0.0000 ( 4322 PWs) bands (ev): -0.1598 -0.1598 0.0254 0.0254 1.9866 1.9866 2.0141 2.0141 4.2943 4.2943 4.4664 4.4664 5.3258 5.3258 5.3459 5.3459 6.6018 6.6018 6.7367 6.7367 7.0561 7.0561 7.1527 7.1527 7.2050 7.2050 7.2444 7.2444 8.2462 8.2462 8.2577 8.2577 8.8351 8.8351 8.8672 8.8672 9.3812 9.3812 9.4220 9.4220 10.6029 10.6029 10.6656 10.6656 k = 0.5000-0.0000-0.0000 ( 4314 PWs) bands (ev): -0.0652 -0.0652 -0.0652 -0.0652 2.0045 2.0045 2.0045 2.0045 4.3759 4.3759 4.3759 4.3759 5.3312 5.3312 5.3312 5.3312 6.6750 6.6750 6.6750 6.6750 7.1037 7.1037 7.1037 7.1037 7.2219 7.2219 7.2219 7.2219 8.2517 8.2517 8.2517 8.2517 8.8522 8.8522 8.8522 8.8522 9.4013 9.4013 9.4013 9.4013 10.6324 10.6324 10.6324 10.6324 k = 0.5000-0.0000-0.0000 ( 4314 PWs) bands (ev): -0.0652 -0.0652 -0.0652 -0.0652 2.0045 2.0045 2.0045 2.0045 4.3759 4.3759 4.3759 4.3759 5.3312 5.3312 5.3312 5.3312 6.6750 6.6750 6.6750 6.6750 7.1037 7.1037 7.1037 7.1037 7.2219 7.2219 7.2219 7.2219 8.2517 8.2517 8.2517 8.2517 8.8522 8.8522 8.8522 8.8522 9.4013 9.4013 9.4013 9.4013 10.6324 10.6324 10.6324 10.6324 k = 0.5000 0.0102-0.0000 ( 4324 PWs) bands (ev): -0.0648 -0.0648 -0.0644 -0.0644 2.0035 2.0035 2.0038 2.0038 4.3745 4.3745 4.3792 4.3792 5.3278 5.3278 5.3288 5.3288 6.6728 6.6728 6.6747 6.6747 7.0912 7.0912 7.0993 7.0993 7.2298 7.2298 7.2376 7.2376 8.2466 8.2466 8.2531 8.2531 8.8499 8.8499 8.8549 8.8549 9.3992 9.3992 9.4036 9.4036 10.6268 10.6268 10.6354 10.6354 k = 0.5000 0.0203-0.0000 ( 4322 PWs) bands (ev): -0.0630 -0.0630 -0.0623 -0.0623 2.0007 2.0007 2.0012 2.0012 4.3750 4.3750 4.3843 4.3843 5.3189 5.3189 5.3209 5.3209 6.6685 6.6685 6.6720 6.6720 7.0709 7.0709 7.0809 7.0809 7.2582 7.2582 7.2678 7.2678 8.2384 8.2384 8.2511 8.2511 8.8483 8.8483 8.8580 8.8580 9.3974 9.3974 9.4059 9.4059 10.6189 10.6189 10.6357 10.6357 k = 0.5000 0.0305-0.0000 ( 4316 PWs) bands (ev): -0.0600 -0.0600 -0.0588 -0.0588 1.9962 1.9962 1.9970 1.9970 4.3773 4.3773 4.3913 4.3913 5.3048 5.3048 5.3076 5.3076 6.6627 6.6627 6.6672 6.6672 7.0492 7.0492 7.0568 7.0568 7.2975 7.2975 7.3050 7.3050 8.2273 8.2273 8.2457 8.2457 8.8473 8.8473 8.8615 8.8615 9.3960 9.3960 9.4082 9.4082 10.6091 10.6091 10.6335 10.6335 k = 0.5000 0.0406-0.0000 ( 4320 PWs) bands (ev): -0.0557 -0.0557 -0.0542 -0.0542 1.9900 1.9900 1.9910 1.9910 4.3815 4.3815 4.4000 4.4000 5.2859 5.2859 5.2895 5.2895 6.6560 6.6560 6.6612 6.6612 7.0275 7.0275 7.0311 7.0311 7.3413 7.3413 7.3466 7.3466 8.2143 8.2143 8.2376 8.2376 8.8469 8.8469 8.8649 8.8649 9.3951 9.3951 9.4105 9.4105 10.5978 10.5978 10.6287 10.6287 k = 0.5000 0.0508-0.0000 ( 4316 PWs) bands (ev): -0.0501 -0.0501 -0.0483 -0.0483 1.9821 1.9821 1.9834 1.9834 4.3875 4.3875 4.4106 4.4106 5.2628 5.2628 5.2670 5.2670 6.6491 6.6491 6.6549 6.6549 7.0030 7.0030 7.0080 7.0080 7.3843 7.3843 7.3927 7.3927 8.2003 8.2003 8.2276 8.2276 8.8469 8.8469 8.8682 8.8682 9.3950 9.3950 9.4128 9.4128 10.5854 10.5854 10.6218 10.6218 k = 0.5000 0.0609-0.0000 ( 4312 PWs) bands (ev): -0.0434 -0.0434 -0.0412 -0.0412 1.9727 1.9727 1.9741 1.9741 4.3951 4.3951 4.4228 4.4228 5.2362 5.2362 5.2408 5.2408 6.6423 6.6423 6.6490 6.6490 6.9757 6.9757 6.9872 6.9872 7.4246 7.4246 7.4407 7.4407 8.1867 8.1867 8.2166 8.2166 8.8472 8.8472 8.8711 8.8711 9.3958 9.3958 9.4150 9.4150 10.5721 10.5721 10.6131 10.6131 k = 0.5000 0.0711-0.0000 ( 4304 PWs) bands (ev): -0.0356 -0.0356 -0.0330 -0.0330 1.9617 1.9617 1.9633 1.9633 4.4045 4.4045 4.4366 4.4366 5.2069 5.2069 5.2117 5.2117 6.6360 6.6360 6.6442 6.6442 6.9477 6.9477 6.9664 6.9664 7.4612 7.4612 7.4874 7.4874 8.1750 8.1750 8.2058 8.2058 8.8475 8.8475 8.8734 8.8734 9.3976 9.3976 9.4174 9.4174 10.5582 10.5582 10.6028 10.6028 k = 0.5000 0.0812-0.0000 ( 4302 PWs) bands (ev): -0.0267 -0.0267 -0.0237 -0.0237 1.9492 1.9492 1.9511 1.9511 4.4154 4.4154 4.4519 4.4519 5.1755 5.1755 5.1804 5.1804 6.6305 6.6305 6.6407 6.6407 6.9191 6.9191 6.9449 6.9449 7.4922 7.4922 7.5304 7.5304 8.1665 8.1665 8.1966 8.1966 8.8478 8.8478 8.8748 8.8748 9.4006 9.4006 9.4200 9.4200 10.5438 10.5438 10.5914 10.5914 k = 0.5000 0.0914-0.0000 ( 4310 PWs) bands (ev): -0.0169 -0.0169 -0.0135 -0.0135 1.9355 1.9355 1.9375 1.9375 4.4278 4.4278 4.4686 4.4686 5.1427 5.1427 5.1476 5.1476 6.6259 6.6259 6.6382 6.6382 6.8903 6.8903 6.9228 6.9228 7.5155 7.5155 7.5676 7.5676 8.1629 8.1629 8.1904 8.1904 8.8477 8.8477 8.8752 8.8752 9.4050 9.4050 9.4229 9.4229 10.5293 10.5293 10.5792 10.5792 k = 0.5000 0.1015-0.0000 ( 4322 PWs) bands (ev): -0.0062 -0.0062 -0.0025 -0.0025 1.9205 1.9205 1.9227 1.9227 4.4415 4.4415 4.4865 4.4865 5.1092 5.1092 5.1139 5.1139 6.6223 6.6223 6.6364 6.6364 6.8618 6.8618 6.8999 6.8999 7.5299 7.5299 7.5969 7.5969 8.1649 8.1649 8.1886 8.1886 8.8471 8.8471 8.8744 8.8744 9.4108 9.4108 9.4264 9.4264 10.5147 10.5147 10.5666 10.5666 k = 0.5000 0.1117-0.0000 ( 4322 PWs) bands (ev): 0.0053 0.0053 0.0094 0.0094 1.9045 1.9045 1.9069 1.9069 4.4564 4.4564 4.5056 4.5056 5.0756 5.0756 5.0801 5.0801 6.6195 6.6195 6.6344 6.6344 6.8344 6.8344 6.8767 6.8767 7.5347 7.5347 7.6169 7.6169 8.1728 8.1728 8.1921 8.1921 8.8458 8.8458 8.8724 8.8724 9.4180 9.4180 9.4305 9.4305 10.5005 10.5005 10.5539 10.5539 k = 0.5000 0.1218-0.0000 ( 4322 PWs) bands (ev): 0.0174 0.0174 0.0218 0.0218 1.8876 1.8876 1.8901 1.8901 4.4724 4.4724 4.5256 4.5256 5.0423 5.0423 5.0467 5.0467 6.6171 6.6171 6.6312 6.6312 6.8095 6.8095 6.8535 6.8535 7.5303 7.5303 7.6271 7.6271 8.1858 8.1858 8.2011 8.2011 8.8438 8.8438 8.8693 8.8693 9.4266 9.4266 9.4355 9.4355 10.4867 10.4867 10.5415 10.5415 k = 0.5000 0.1320-0.0000 ( 4322 PWs) bands (ev): 0.0301 0.0301 0.0348 0.0348 1.8701 1.8701 1.8727 1.8727 4.4892 4.4892 4.5464 4.5464 5.0099 5.0099 5.0140 5.0140 6.6142 6.6142 6.6251 6.6251 6.7891 6.7891 6.8312 6.8312 7.5179 7.5179 7.6277 7.6277 8.2026 8.2026 8.2148 8.2148 8.8410 8.8410 8.8650 8.8650 9.4363 9.4363 9.4412 9.4412 10.4737 10.4737 10.5296 10.5296 k = 0.5000 0.1421-0.0000 ( 4330 PWs) bands (ev): 0.0431 0.0431 0.0481 0.0481 1.8520 1.8520 1.8547 1.8547 4.5068 4.5068 4.5677 4.5677 4.9785 4.9785 4.9827 4.9827 6.6082 6.6082 6.6158 6.6158 6.7751 6.7751 6.8108 6.8108 7.4989 7.4989 7.6202 7.6202 8.2217 8.2217 8.2320 8.2320 8.8373 8.8373 8.8597 8.8597 9.4464 9.4464 9.4481 9.4481 10.4617 10.4617 10.5185 10.5185 k = 0.5000 0.1523-0.0000 ( 4330 PWs) bands (ev): 0.0563 0.0563 0.0617 0.0617 1.8338 1.8338 1.8365 1.8365 4.5248 4.5248 4.5893 4.5893 4.9487 4.9487 4.9529 4.9529 6.5932 6.5932 6.6075 6.6075 6.7686 6.7686 6.7940 6.7940 7.4750 7.4750 7.6059 7.6059 8.2417 8.2417 8.2511 8.2511 8.8329 8.8329 8.8537 8.8537 9.4543 9.4543 9.4582 9.4582 10.4507 10.4507 10.5084 10.5084 k = 0.5000 0.1624-0.0000 ( 4330 PWs) bands (ev): 0.0695 0.0695 0.0752 0.0752 1.8155 1.8155 1.8183 1.8183 4.5430 4.5430 4.6110 4.6110 4.9206 4.9206 4.9250 4.9250 6.5711 6.5711 6.5979 6.5979 6.7690 6.7690 6.7819 6.7819 7.4475 7.4475 7.5865 7.5865 8.2612 8.2612 8.2708 8.2708 8.8279 8.8279 8.8471 8.8471 9.4618 9.4618 9.4692 9.4692 10.4409 10.4409 10.4993 10.4993 k = 0.5000 0.1726-0.0000 ( 4326 PWs) bands (ev): 0.0826 0.0826 0.0886 0.0886 1.7975 1.7975 1.8003 1.8003 4.5612 4.5612 4.6324 4.6324 4.8944 4.8944 4.8991 4.8991 6.5455 6.5455 6.5848 6.5848 6.7739 6.7739 6.7763 6.7763 7.4176 7.4176 7.5636 7.5636 8.2794 8.2794 8.2900 8.2900 8.8224 8.8224 8.8404 8.8404 9.4694 9.4694 9.4801 9.4801 10.4322 10.4322 10.4912 10.4912 k = 0.5000 0.1827-0.0000 ( 4326 PWs) bands (ev): 0.0953 0.0953 0.1015 0.1015 1.7800 1.7800 1.7829 1.7829 4.5790 4.5790 4.6533 4.6533 4.8703 4.8703 4.8755 4.8755 6.5183 6.5183 6.5682 6.5682 6.7745 6.7745 6.7842 6.7842 7.3864 7.3864 7.5383 7.5383 8.2959 8.2959 8.3079 8.3079 8.8168 8.8168 8.8337 8.8337 9.4769 9.4769 9.4905 9.4905 10.4246 10.4246 10.4841 10.4841 k = 0.5000 0.1929-0.0000 ( 4330 PWs) bands (ev): 0.1074 0.1074 0.1139 0.1139 1.7633 1.7633 1.7662 1.7662 4.5962 4.5962 4.6733 4.6733 4.8485 4.8485 4.8542 4.8542 6.4910 6.4910 6.5493 6.5493 6.7785 6.7785 6.7959 6.7959 7.3547 7.3547 7.5119 7.5119 8.3104 8.3104 8.3240 8.3240 8.8111 8.8111 8.8272 8.8272 9.4841 9.4841 9.5001 9.5001 10.4181 10.4181 10.4780 10.4780 k = 0.5000 0.2030-0.0000 ( 4322 PWs) bands (ev): 0.1188 0.1188 0.1255 0.1255 1.7477 1.7477 1.7506 1.7506 4.6125 4.6125 4.6921 4.6921 4.8290 4.8290 4.8354 4.8354 6.4649 6.4649 6.5294 6.5294 6.7862 6.7862 6.8091 6.8091 7.3233 7.3233 7.4852 7.4852 8.3229 8.3229 8.3382 8.3382 8.8056 8.8056 8.8212 8.8212 9.4907 9.4907 9.5087 9.5087 10.4126 10.4126 10.4728 10.4728 k = 0.5000 0.2132-0.0000 ( 4312 PWs) bands (ev): 0.1291 0.1291 0.1361 0.1361 1.7336 1.7336 1.7365 1.7365 4.6275 4.6275 4.7092 4.7092 4.8121 4.8121 4.8191 4.8191 6.4406 6.4406 6.5097 6.5097 6.7964 6.7964 6.8230 6.8230 7.2929 7.2929 7.4593 7.4593 8.3332 8.3332 8.3503 8.3503 8.8006 8.8006 8.8158 8.8158 9.4967 9.4967 9.5163 9.5163 10.4080 10.4080 10.4685 10.4685 k = 0.5000 0.2233-0.0000 ( 4310 PWs) bands (ev): 0.1383 0.1383 0.1455 0.1455 1.7210 1.7210 1.7239 1.7239 4.6410 4.6410 4.7243 4.7243 4.7977 4.7977 4.8053 4.8053 6.4189 6.4189 6.4914 6.4914 6.8080 6.8080 6.8369 6.8369 7.2644 7.2644 7.4349 7.4349 8.3416 8.3416 8.3602 8.3602 8.7961 8.7961 8.8111 8.8111 9.5020 9.5020 9.5227 9.5227 10.4042 10.4042 10.4649 10.4649 k = 0.5000 0.2335-0.0000 ( 4308 PWs) bands (ev): 0.1462 0.1462 0.1535 0.1535 1.7104 1.7104 1.7133 1.7133 4.6525 4.6525 4.7370 4.7370 4.7859 4.7859 4.7941 4.7941 6.4004 6.4004 6.4753 6.4753 6.8200 6.8200 6.8499 6.8499 7.2387 7.2387 7.4131 7.4131 8.3483 8.3483 8.3682 8.3682 8.7923 8.7923 8.8072 8.8072 9.5063 9.5063 9.5279 9.5279 10.4013 10.4013 10.4620 10.4620 k = 0.5000 0.2436-0.0000 ( 4312 PWs) bands (ev): 0.1524 0.1524 0.1599 0.1599 1.7019 1.7019 1.7047 1.7047 4.6619 4.6619 4.7466 4.7466 4.7771 4.7771 4.7855 4.7855 6.3854 6.3854 6.4621 6.4621 6.8312 6.8312 6.8612 6.8612 7.2168 7.2168 7.3948 7.3948 8.3532 8.3532 8.3742 8.3742 8.7892 8.7892 8.8041 8.8041 9.5096 9.5096 9.5320 9.5320 10.3990 10.3990 10.4599 10.4599 k = 0.5000 0.2538-0.0000 ( 4316 PWs) bands (ev): 0.1570 0.1570 0.1646 0.1646 1.6957 1.6957 1.6985 1.6985 4.6688 4.6688 4.7526 4.7526 4.7716 4.7716 4.7798 4.7798 6.3745 6.3745 6.4523 6.4523 6.8405 6.8405 6.8700 6.8700 7.1998 7.1998 7.3809 7.3809 8.3566 8.3566 8.3784 8.3784 8.7870 8.7870 8.8019 8.8019 9.5121 9.5121 9.5349 9.5349 10.3975 10.3975 10.4584 10.4584 k = 0.5000 0.2639-0.0000 ( 4308 PWs) bands (ev): 0.1598 0.1598 0.1674 0.1674 1.6919 1.6919 1.6947 1.6947 4.6731 4.6731 4.7548 4.7548 4.7692 4.7692 4.7768 4.7768 6.3678 6.3678 6.4463 6.4463 6.8467 6.8467 6.8757 6.8757 7.1891 7.1891 7.3721 7.3721 8.3587 8.3587 8.3809 8.3809 8.7856 8.7856 8.8006 8.8006 9.5136 9.5136 9.5366 9.5366 10.3966 10.3966 10.4575 10.4575 k = 0.5000 0.2741-0.0000 ( 4300 PWs) bands (ev): 0.1607 0.1607 0.1684 0.1684 1.6906 1.6906 1.6934 1.6934 4.6746 4.6746 4.7550 4.7550 4.7686 4.7686 4.7760 4.7760 6.3656 6.3656 6.4442 6.4442 6.8490 6.8490 6.8777 6.8777 7.1853 7.1853 7.3691 7.3691 8.3593 8.3593 8.3818 8.3818 8.7852 8.7852 8.8002 8.8002 9.5141 9.5141 9.5372 9.5372 10.3963 10.3963 10.4572 10.4572 k = 0.5000 0.2741-0.0000 ( 4300 PWs) bands (ev): 0.1607 0.1607 0.1684 0.1684 1.6906 1.6906 1.6934 1.6934 4.6746 4.6746 4.7550 4.7550 4.7686 4.7686 4.7760 4.7760 6.3656 6.3656 6.4442 6.4442 6.8490 6.8490 6.8777 6.8777 7.1853 7.1853 7.3691 7.3691 8.3593 8.3593 8.3818 8.3818 8.7852 8.7852 8.8002 8.8002 9.5141 9.5141 9.5372 9.5372 10.3963 10.3963 10.4572 10.4572 k = 0.4900 0.2741-0.0000 ( 4316 PWs) bands (ev): 0.1547 0.1548 0.1623 0.1624 1.6905 1.6905 1.6933 1.6933 4.6446 4.6453 4.7052 4.7065 4.8075 4.8082 4.8345 4.8357 6.3547 6.3552 6.4357 6.4358 6.8468 6.8475 6.8771 6.8777 7.1952 7.1955 7.3784 7.3791 8.3591 8.3596 8.3817 8.3817 8.7848 8.7852 8.8000 8.8000 9.5149 9.5151 9.5380 9.5384 10.3975 10.3976 10.4585 10.4586 k = 0.4800 0.2741-0.0000 ( 4318 PWs) bands (ev): 0.1370 0.1370 0.1445 0.1445 1.6899 1.6899 1.6927 1.6928 4.6002 4.6011 4.6579 4.6592 4.8806 4.8813 4.9115 4.9128 6.3240 6.3249 6.4107 6.4110 6.8423 6.8435 6.8768 6.8779 7.2231 7.2238 7.4054 7.4066 8.3588 8.3598 8.3815 8.3817 8.7840 8.7849 8.7995 8.7995 9.5177 9.5181 9.5412 9.5419 10.4014 10.4017 10.4626 10.4628 k = 0.4700 0.2741-0.0000 ( 4314 PWs) bands (ev): 0.1082 0.1082 0.1155 0.1156 1.6881 1.6881 1.6909 1.6910 4.5632 4.5642 4.6223 4.6236 4.9655 4.9662 4.9964 4.9977 6.2769 6.2781 6.3713 6.3716 6.8376 6.8392 6.8779 6.8792 7.2646 7.2656 7.4459 7.4477 8.3587 8.3602 8.3813 8.3815 8.7829 8.7842 8.7988 8.7988 9.5226 9.5232 9.5467 9.5477 10.4080 10.4085 10.4694 10.4697 k = 0.4600 0.2741-0.0000 ( 4314 PWs) bands (ev): 0.0693 0.0693 0.0764 0.0765 1.6841 1.6841 1.6869 1.6870 4.5373 4.5383 4.5996 4.6009 5.0581 5.0587 5.0878 5.0891 6.2176 6.2189 6.3199 6.3202 6.8347 6.8365 6.8812 6.8825 7.3148 7.3163 7.4955 7.4977 8.3585 8.3606 8.3810 8.3813 8.7814 8.7833 8.7979 8.7979 9.5295 9.5303 9.5546 9.5558 10.4172 10.4178 10.4789 10.4793 k = 0.4500 0.2741-0.0000 ( 4314 PWs) bands (ev): 0.0215 0.0215 0.0284 0.0284 1.6768 1.6768 1.6795 1.6797 4.5236 4.5246 4.5905 4.5918 5.1568 5.1573 5.1844 5.1858 6.1498 6.1510 6.2598 6.2600 6.8344 6.8364 6.8869 6.8882 7.3699 7.3718 7.5502 7.5528 8.3584 8.3611 8.3806 8.3810 8.7797 8.7820 8.7967 8.7967 9.5385 9.5395 9.5650 9.5665 10.4289 10.4296 10.4909 10.4914 k = 0.4400 0.2741-0.0000 ( 4326 PWs) bands (ev): -0.0339 -0.0339 -0.0273 -0.0272 1.6651 1.6651 1.6678 1.6680 4.5225 4.5235 4.5952 4.5965 5.2601 5.2606 5.2849 5.2863 6.0766 6.0777 6.1938 6.1939 6.8370 6.8392 6.8952 6.8964 7.4269 7.4293 7.6069 7.6100 8.3583 8.3615 8.3802 8.3805 8.7776 8.7804 8.7953 8.7954 9.5498 9.5509 9.5782 9.5800 10.4429 10.4437 10.5052 10.5058 k = 0.4300 0.2741-0.0000 ( 4332 PWs) bands (ev): -0.0956 -0.0956 -0.0893 -0.0892 1.6482 1.6482 1.6509 1.6511 4.5338 4.5349 4.6138 4.6151 5.3672 5.3675 5.3877 5.3893 6.0009 6.0018 6.1246 6.1247 6.8425 6.8448 6.9061 6.9071 7.4839 7.4867 7.6634 7.6669 8.3582 8.3621 8.3796 8.3800 8.7755 8.7787 8.7940 8.7940 9.5636 9.5648 9.5944 9.5965 10.4589 10.4598 10.5216 10.5222 k = 0.4200 0.2741-0.0000 ( 4340 PWs) bands (ev): -0.1625 -0.1625 -0.1564 -0.1564 1.6256 1.6256 1.6282 1.6284 4.5566 4.5578 4.6456 4.6470 5.4768 5.4769 5.4903 5.4922 5.9258 5.9263 6.0546 6.0548 6.8508 6.8532 6.9198 6.9207 7.5391 7.5423 7.7179 7.7219 8.3583 8.3628 8.3789 8.3794 8.7731 8.7769 8.7926 8.7926 9.5799 9.5812 9.6139 9.6162 10.4767 10.4776 10.5396 10.5403 k = 0.4100 0.2741-0.0000 ( 4348 PWs) bands (ev): -0.2334 -0.2334 -0.2277 -0.2276 1.5970 1.5970 1.5995 1.5997 4.5896 4.5908 4.6898 4.6912 5.5865 5.5876 5.5877 5.5892 5.8579 5.8583 5.9863 5.9868 6.8620 6.8645 6.9366 6.9373 7.5916 7.5952 7.7691 7.7737 8.3585 8.3636 8.3782 8.3787 8.7708 8.7750 8.7913 8.7913 9.5989 9.6003 9.6369 9.6395 10.4956 10.4965 10.5588 10.5595 k = 0.4000 0.2741-0.0000 ( 4336 PWs) bands (ev): -0.3075 -0.3075 -0.3020 -0.3019 1.5626 1.5626 1.5650 1.5652 4.6306 4.6318 4.7444 4.7460 5.6507 5.6549 5.6978 5.6984 5.8226 5.8246 5.9228 5.9237 6.8761 6.8789 6.9568 6.9573 7.6404 7.6445 7.8160 7.8212 8.3590 8.3648 8.3776 8.3781 8.7686 8.7733 8.7902 8.7903 9.6208 9.6222 9.6637 9.6665 10.5151 10.5159 10.5784 10.5791 k = 0.3900 0.2741-0.0000 ( 4332 PWs) bands (ev): -0.3839 -0.3839 -0.3787 -0.3786 1.5227 1.5227 1.5250 1.5253 4.6764 4.6777 4.8071 4.8087 5.6359 5.6398 5.7981 5.8004 5.8707 5.8726 5.8741 5.8765 6.8934 6.8964 6.9808 6.9810 7.6851 7.6895 7.8579 7.8637 8.3598 8.3663 8.3770 8.3775 8.7666 8.7717 8.7895 8.7896 9.6457 9.6471 9.6944 9.6974 10.5344 10.5350 10.5976 10.5983 k = 0.3800 0.2741-0.0000 ( 4328 PWs) bands (ev): -0.4619 -0.4619 -0.4569 -0.4569 1.4778 1.4779 1.4801 1.4803 4.7231 4.7244 4.8734 4.8751 5.5848 5.5879 5.8041 5.8053 5.9309 5.9321 5.9607 5.9620 6.9143 6.9175 7.0090 7.0090 7.7252 7.7299 7.8942 7.9007 8.3610 8.3681 8.3765 8.3769 8.7650 8.7705 8.7892 8.7893 9.6738 9.6753 9.7295 9.7327 10.5524 10.5528 10.6154 10.6161 k = 0.3700 0.2741-0.0000 ( 4338 PWs) bands (ev): -0.5409 -0.5409 -0.5362 -0.5361 1.4287 1.4287 1.4309 1.4311 4.7657 4.7670 4.9364 4.9381 5.5373 5.5400 5.7745 5.7748 6.0344 6.0346 6.0566 6.0578 6.9392 6.9427 7.0417 7.0420 7.7603 7.7654 7.9248 7.9318 8.3627 8.3704 8.3761 8.3765 8.7639 8.7698 8.7895 8.7896 9.7054 9.7068 9.7690 9.7724 10.5682 10.5682 10.6309 10.6315 k = 0.3600 0.2741-0.0000 ( 4342 PWs) bands (ev): -0.6204 -0.6204 -0.6159 -0.6158 1.3760 1.3760 1.3780 1.3782 4.7983 4.7997 4.9843 4.9858 5.5113 5.5136 5.7609 5.7609 6.1360 6.1363 6.1503 6.1516 6.9688 6.9726 7.0798 7.0805 7.7906 7.7959 7.9494 7.9570 8.3652 8.3732 8.3759 8.3763 8.7634 8.7697 8.7905 8.7905 9.7407 9.7420 9.8132 9.8169 10.5804 10.5808 10.6432 10.6437 k = 0.3500 0.2741-0.0000 ( 4346 PWs) bands (ev): -0.7000 -0.7000 -0.6957 -0.6956 1.3203 1.3203 1.3223 1.3224 4.8159 4.8172 5.0031 5.0043 5.5219 5.5237 5.7699 5.7700 6.2323 6.2330 6.2389 6.2404 7.0038 7.0080 7.1238 7.1249 7.8158 7.8214 7.9682 7.9762 8.3683 8.3761 8.3764 8.3765 8.7638 8.7704 8.7922 8.7923 9.7799 9.7810 9.8623 9.8662 10.5885 10.5895 10.6517 10.6520 k = 0.3400 0.2741-0.0000 ( 4354 PWs) bands (ev): -0.7792 -0.7792 -0.7751 -0.7750 1.2623 1.2623 1.2642 1.2643 4.8154 4.8167 4.9874 4.9881 5.5740 5.5752 5.8039 5.8040 6.3208 6.3220 6.3227 6.3230 7.0447 7.0493 7.1736 7.1751 7.8363 7.8420 7.9815 7.9898 8.3721 8.3765 8.3769 8.3804 8.7652 8.7721 8.7948 8.7950 9.8230 9.8240 9.9162 9.9204 10.5925 10.5941 10.6563 10.6563 k = 0.3300 0.2741-0.0000 ( 4346 PWs) bands (ev): -0.8578 -0.8578 -0.8539 -0.8538 1.2027 1.2027 1.2044 1.2046 4.7974 4.7985 4.9454 4.9457 5.6582 5.6590 5.8615 5.8616 6.3953 6.3975 6.4039 6.4052 7.0920 7.0969 7.2291 7.2310 7.8523 7.8581 7.9899 7.9982 8.3767 8.3774 8.3777 8.3848 8.7679 8.7749 8.7984 8.7988 9.8703 9.8711 9.9750 9.9794 10.5928 10.5950 10.6572 10.6575 k = 0.3200 0.2741-0.0000 ( 4344 PWs) bands (ev): -0.9354 -0.9354 -0.9317 -0.9316 1.1418 1.1419 1.1435 1.1436 4.7646 4.7656 4.8883 4.8883 5.7624 5.7629 5.9384 5.9385 6.4623 6.4649 6.4779 6.4794 7.1455 7.1505 7.2895 7.2918 7.8641 7.8700 7.9938 8.0021 8.3786 8.3790 8.3819 8.3896 8.7719 8.7791 8.8031 8.8037 9.9214 9.9219 10.0379 10.0426 10.5907 10.5936 10.6559 10.6566 k = 0.3100 0.2741-0.0000 ( 4348 PWs) bands (ev): -1.0119 -1.0119 -1.0084 -1.0083 1.0804 1.0804 1.0819 1.0820 4.7208 4.7218 4.8233 4.8234 5.8780 5.8784 6.0294 6.0295 6.5224 6.5255 6.5445 6.5459 7.2043 7.2095 7.3534 7.3560 7.8723 7.8781 7.9939 8.0020 8.3802 8.3806 8.3875 8.3947 8.7774 8.7846 8.8090 8.8098 9.9758 9.9760 10.1037 10.1086 10.5889 10.5924 10.6543 10.6554 k = 0.3000 0.2741-0.0000 ( 4356 PWs) bands (ev): -1.0870 -1.0870 -1.0837 -1.0836 1.0186 1.0186 1.0201 1.0202 4.6695 4.6703 4.7547 4.7548 5.9994 5.9997 6.1291 6.1293 6.5770 6.5805 6.6051 6.6065 7.2673 7.2724 7.4194 7.4222 7.8774 7.8831 7.9909 7.9987 8.3821 8.3826 8.3934 8.4001 8.7845 8.7917 8.8161 8.8171 10.0322 10.0324 10.1696 10.1747 10.5917 10.5957 10.6552 10.6569 k = 0.2900 0.2741-0.0000 ( 4352 PWs) bands (ev): -1.1606 -1.1606 -1.1574 -1.1573 0.9570 0.9571 0.9584 0.9585 4.6133 4.6141 4.6846 4.6848 6.1225 6.1229 6.2323 6.2327 6.6278 6.6317 6.6623 6.6633 7.3328 7.3376 7.4856 7.4886 7.8801 7.8856 7.9856 7.9931 8.3843 8.3850 8.3996 8.4056 8.7932 8.8004 8.8247 8.8259 10.0887 10.0894 10.2309 10.2359 10.6059 10.6101 10.6624 10.6647 k = 0.2800 0.2741-0.0000 ( 4348 PWs) bands (ev): -1.2325 -1.2325 -1.2295 -1.2294 0.8959 0.8959 0.8972 0.8973 4.5541 4.5548 4.6144 4.6147 6.2433 6.2438 6.3338 6.3345 6.6773 6.6816 6.7192 6.7196 7.3992 7.4035 7.5504 7.5534 7.8812 7.8865 7.9788 7.9859 8.3869 8.3878 8.4059 8.4114 8.8035 8.8107 8.8346 8.8360 10.1427 10.1439 10.2803 10.2846 10.6407 10.6444 10.6803 10.6832 k = 0.2700 0.2741-0.0000 ( 4348 PWs) bands (ev): -1.3026 -1.3026 -1.2997 -1.2996 0.8355 0.8356 0.8367 0.8369 4.4934 4.4941 4.5448 4.5451 6.3573 6.3580 6.4278 6.4291 6.7286 6.7334 6.7793 6.7797 7.4651 7.4687 7.6125 7.6153 7.8818 7.8866 7.9713 7.9779 8.3898 8.3909 8.4124 8.4173 8.8153 8.8225 8.8460 8.8476 10.1910 10.1925 10.3130 10.3159 10.7026 10.7052 10.7138 10.7173 k = 0.2600 0.2741-0.0000 ( 4344 PWs) bands (ev): -1.3707 -1.3707 -1.3680 -1.3679 0.7761 0.7762 0.7773 0.7774 4.4323 4.4329 4.4764 4.4767 6.4592 6.4600 6.5094 6.5112 6.7861 6.7911 6.8458 6.8473 7.5294 7.5321 7.6705 7.6728 7.8831 7.8873 7.9641 7.9699 8.3931 8.3944 8.4190 8.4233 8.8284 8.8356 8.8586 8.8604 10.2313 10.2330 10.3311 10.3326 10.7667 10.7706 10.7906 10.7920 k = 0.2500 0.2741-0.0000 ( 4344 PWs) bands (ev): -1.4368 -1.4368 -1.4342 -1.4341 0.7180 0.7180 0.7190 0.7192 4.3713 4.3718 4.4095 4.4098 6.5438 6.5444 6.5756 6.5780 6.8536 6.8586 6.9203 6.9229 7.5916 7.5929 7.7233 7.7244 7.8869 7.8899 7.9580 7.9630 8.3969 8.3983 8.4259 8.4297 8.8425 8.8497 8.8723 8.8743 10.2638 10.2654 10.3412 10.3416 10.8400 10.8440 10.8991 10.8995 k = 0.2400 0.2741-0.0000 ( 4344 PWs) bands (ev): -1.5007 -1.5007 -1.4983 -1.4982 0.6612 0.6612 0.6622 0.6623 4.3110 4.3115 4.3443 4.3446 6.6092 6.6093 6.6274 6.6301 6.9311 6.9357 6.9999 7.0036 7.6505 7.6510 7.7683 7.7692 7.8960 7.8969 7.9544 7.9582 8.4012 8.4029 8.4331 8.4364 8.8572 8.8644 8.8869 8.8891 10.2913 10.2925 10.3494 10.3498 10.9319 10.9359 11.0229 11.0231 k = 0.2300 0.2741-0.0000 ( 4346 PWs) bands (ev): -1.5625 -1.5625 -1.5601 -1.5600 0.6060 0.6060 0.6069 0.6070 4.2519 4.2524 4.2811 4.2814 6.6579 6.6584 6.6680 6.6709 7.0137 7.0177 7.0794 7.0840 7.7040 7.7069 7.8022 7.8063 7.9114 7.9136 7.9550 7.9570 8.4064 8.4082 8.4409 8.4438 8.8720 8.8792 8.9018 8.9042 10.3176 10.3184 10.3606 10.3616 11.0392 11.0429 11.1587 11.1595 k = 0.2200 0.2741-0.0000 ( 4346 PWs) bands (ev): -1.6219 -1.6219 -1.6197 -1.6196 0.5524 0.5524 0.5533 0.5534 4.1942 4.1947 4.2200 4.2202 6.6949 6.6960 6.7005 6.7035 7.0944 7.0977 7.1536 7.1591 7.7520 7.7579 7.8263 7.8334 7.9357 7.9408 7.9615 7.9619 8.4127 8.4147 8.4495 8.4521 8.8862 8.8935 8.9165 8.9191 10.3467 10.3470 10.3788 10.3800 11.1582 11.1617 11.3047 11.3059 k = 0.2100 0.2741-0.0000 ( 4360 PWs) bands (ev): -1.6791 -1.6790 -1.6770 -1.6769 0.5007 0.5007 0.5016 0.5017 4.1383 4.1387 4.1610 4.1613 6.7244 6.7259 6.7274 6.7304 7.1676 7.1701 7.2186 7.2248 7.7923 7.8017 7.8444 7.8535 7.9678 7.9743 7.9747 7.9775 8.4206 8.4226 8.4593 8.4616 8.8993 8.9067 8.9304 8.9331 10.3816 10.3818 10.4066 10.4079 11.2856 11.2887 11.4594 11.4608 k = 0.2000 0.2741-0.0000 ( 4372 PWs) bands (ev): -1.7338 -1.7337 -1.7318 -1.7317 0.4509 0.4509 0.4517 0.4518 4.0842 4.0846 4.1044 4.1047 6.7487 6.7501 6.7507 6.7532 7.2296 7.2314 7.2726 7.2792 7.8236 7.8356 7.8606 7.8708 7.9974 8.0029 8.0035 8.0113 8.4306 8.4326 8.4707 8.4727 8.9106 8.9180 8.9425 8.9455 10.4250 10.4257 10.4462 10.4476 11.4180 11.4207 11.6214 11.6229 k = 0.1900 0.2741-0.0000 ( 4364 PWs) bands (ev): -1.7861 -1.7860 -1.7842 -1.7841 0.4031 0.4031 0.4039 0.4040 4.0322 4.0326 4.0502 4.0504 6.7693 6.7698 6.7717 6.7728 7.2791 7.2802 7.3149 7.3218 7.8469 7.8600 7.8770 7.8878 8.0295 8.0360 8.0399 8.0482 8.4433 8.4453 8.4842 8.4861 8.9195 8.9270 8.9523 8.9555 10.4790 10.4803 10.4994 10.5007 11.5521 11.5544 11.7890 11.7905 k = 0.1800 0.2741-0.0000 ( 4356 PWs) bands (ev): -1.8358 -1.8358 -1.8341 -1.8340 0.3575 0.3575 0.3582 0.3583 3.9824 3.9828 3.9985 3.9987 6.7870 6.7871 6.7898 6.7900 7.3164 7.3169 7.3465 7.3533 7.8648 7.8778 7.8938 7.9050 8.0656 8.0721 8.0747 8.0833 8.4592 8.4610 8.5002 8.5019 8.9256 8.9331 8.9589 8.9623 10.5450 10.5467 10.5672 10.5682 11.6841 11.6857 11.9596 11.9606 k = 0.1700 0.2741-0.0000 ( 4356 PWs) bands (ev): -1.8831 -1.8831 -1.8815 -1.8814 0.3140 0.3140 0.3147 0.3148 3.9349 3.9352 3.9493 3.9494 6.8021 6.8027 6.8051 6.8056 7.3429 7.3429 7.3687 7.3753 7.8798 7.8922 7.9106 7.9220 8.1008 8.1062 8.1070 8.1150 8.4784 8.4800 8.5188 8.5202 8.9285 8.9360 8.9620 8.9657 10.6234 10.6256 10.6500 10.6507 11.8094 11.8102 12.1157 12.1172 k = 0.1600 0.2741-0.0000 ( 4356 PWs) bands (ev): -1.9278 -1.9278 -1.9263 -1.9262 0.2727 0.2727 0.2734 0.2734 3.8898 3.8901 3.9026 3.9028 6.8154 6.8163 6.8185 6.8195 7.3603 7.3608 7.3833 7.3895 7.8934 7.9050 7.9268 7.9384 8.1321 8.1331 8.1379 8.1421 8.5009 8.5022 8.5397 8.5409 8.9282 8.9357 8.9613 8.9653 10.7138 10.7165 10.7473 10.7476 11.9232 11.9233 12.1626 12.1659 k = 0.1500 0.2741-0.0000 ( 4360 PWs) bands (ev): -1.9699 -1.9699 -1.9685 -1.9684 0.2337 0.2338 0.2343 0.2344 3.8471 3.8474 3.8586 3.8588 6.8272 6.8282 6.8303 6.8317 7.3712 7.3720 7.3920 7.3978 7.9062 7.9172 7.9422 7.9538 8.1550 8.1580 8.1637 8.1643 8.5257 8.5268 8.5624 8.5634 8.9248 8.9322 8.9570 8.9612 10.8152 10.8184 10.8579 10.8581 12.0201 12.0215 12.1558 12.1610 k = 0.1400 0.2741-0.0000 ( 4348 PWs) bands (ev): -2.0094 -2.0094 -2.0081 -2.0080 0.1971 0.1971 0.1977 0.1978 3.8070 3.8072 3.8173 3.8174 6.8375 6.8386 6.8407 6.8423 7.3774 7.3786 7.3966 7.4019 7.9187 7.9291 7.9564 7.9682 8.1720 8.1786 8.1816 8.1843 8.5520 8.5529 8.5862 8.5869 8.9185 8.9259 8.9492 8.9538 10.9257 10.9295 10.9796 10.9803 12.0985 12.1013 12.1455 12.1508 k = 0.1300 0.2741-0.0000 ( 4348 PWs) bands (ev): -2.0463 -2.0462 -2.0451 -2.0450 0.1629 0.1629 0.1634 0.1635 3.7694 3.7697 3.7786 3.7787 6.8465 6.8476 6.8497 6.8514 7.3803 7.3818 7.3980 7.4028 7.9307 7.9407 7.9695 7.9815 8.1847 8.1943 8.1948 8.2001 8.5786 8.5792 8.6101 8.6106 8.9099 8.9171 8.9386 8.9434 11.0427 11.0471 11.1101 11.1114 12.1366 12.1417 12.1589 12.1629 k = 0.1200 0.2741-0.0000 ( 4360 PWs) bands (ev): -2.0805 -2.0804 -2.0794 -2.0793 0.1310 0.1310 0.1315 0.1316 3.7345 3.7347 3.7427 3.7428 6.8543 6.8553 6.8575 6.8593 7.3811 7.3827 7.3972 7.4017 7.9423 7.9520 7.9813 7.9936 8.1939 8.2045 8.2059 8.2120 8.6042 8.6047 8.6333 8.6336 8.8993 8.9065 8.9257 8.9308 11.1627 11.1678 11.2459 11.2479 12.1316 12.1364 12.2054 12.2102 k = 0.1100 0.2741-0.0000 ( 4352 PWs) bands (ev): -2.1120 -2.1120 -2.1110 -2.1109 0.1016 0.1016 0.1021 0.1021 3.7023 3.7025 3.7095 3.7096 6.8609 6.8619 6.8642 6.8660 7.3804 7.3822 7.3952 7.3993 7.9535 7.9632 7.9921 8.0047 8.2006 8.2117 8.2143 8.2208 8.6284 8.6288 8.6553 8.6554 8.8876 8.8946 8.9110 8.9165 11.2818 11.2876 11.3823 11.3852 12.1336 12.1379 12.2449 12.2497 k = 0.1000 0.2741-0.0000 ( 4352 PWs) bands (ev): -2.1408 -2.1408 -2.1399 -2.1398 0.0747 0.0747 0.0751 0.0752 3.6728 3.6729 3.6792 3.6793 6.8666 6.8674 6.8699 6.8716 7.3789 7.3809 7.3923 7.3961 7.9644 7.9741 8.0019 8.0149 8.2053 8.2169 8.2202 8.2271 8.6504 8.6507 8.6753 8.6755 8.8751 8.8820 8.8953 8.9011 11.3951 11.4016 11.5126 11.5167 12.1471 12.1509 12.2844 12.2885 k = 0.0900 0.2741-0.0000 ( 4352 PWs) bands (ev): -2.1670 -2.1669 -2.1661 -2.1661 0.0503 0.0503 0.0507 0.0507 3.6460 3.6461 3.6516 3.6517 6.8712 6.8719 6.8746 6.8762 7.3770 7.3792 7.3890 7.3926 7.9749 7.9848 8.0107 8.0242 8.2085 8.2208 8.2241 8.2316 8.6699 8.6700 8.6932 8.6937 8.8626 8.8694 8.8793 8.8854 11.4976 11.5046 11.6276 11.6328 12.1786 12.1823 12.3286 12.3312 k = 0.0800 0.2741-0.0000 ( 4352 PWs) bands (ev): -2.1903 -2.1903 -2.1896 -2.1895 0.0284 0.0284 0.0287 0.0288 3.6220 3.6221 3.6269 3.6269 6.8750 6.8756 6.8785 6.8799 7.3751 7.3773 7.3857 7.3890 7.9849 7.9951 8.0185 8.0324 8.2108 8.2236 8.2266 8.2346 8.6866 8.6867 8.7086 8.7095 8.8507 8.8574 8.8635 8.8700 11.5848 11.5922 11.7171 11.7232 12.2352 12.2395 12.3776 12.3778 k = 0.0700 0.2741-0.0000 ( 4350 PWs) bands (ev): -2.2110 -2.2110 -2.2104 -2.2103 0.0090 0.0091 0.0093 0.0094 3.6008 3.6009 3.6050 3.6050 6.8780 6.8785 6.8816 6.8829 7.3731 7.3755 7.3824 7.3856 7.9944 8.0050 8.0252 8.0397 8.2125 8.2259 8.2280 8.2367 8.7004 8.7005 8.7215 8.7227 8.8399 8.8466 8.8487 8.8556 11.6547 11.6622 11.7764 11.7830 12.3167 12.3236 12.4206 12.4246 k = 0.0600 0.2741-0.0000 ( 4358 PWs) bands (ev): -2.2289 -2.2289 -2.2284 -2.2283 -0.0078 -0.0077 -0.0075 -0.0075 3.5824 3.5825 3.5860 3.5860 6.8804 6.8807 6.8840 6.8852 7.3714 7.3738 7.3793 7.3823 8.0032 8.0144 8.0308 8.0457 8.2138 8.2277 8.2284 8.2379 8.7112 8.7113 8.7313 8.7330 8.8309 8.8356 8.8375 8.8430 11.7078 11.7151 11.8104 11.8171 12.4091 12.4221 12.4526 12.4588 k = 0.0500 0.2741-0.0000 ( 4358 PWs) bands (ev): -2.2441 -2.2440 -2.2436 -2.2436 -0.0220 -0.0220 -0.0218 -0.0217 3.5669 3.5670 3.5698 3.5698 6.8822 6.8825 6.8859 6.8869 7.3700 7.3725 7.3765 7.3794 8.0114 8.0232 8.0353 8.0506 8.2150 8.2282 8.2294 8.2385 8.7191 8.7192 8.7380 8.7400 8.8239 8.8251 8.8304 8.8329 11.7465 11.7536 11.8280 11.8345 12.4740 12.4805 12.4812 12.5006 k = 0.0400 0.2741-0.0000 ( 4358 PWs) bands (ev): -2.2565 -2.2565 -2.2561 -2.2561 -0.0337 -0.0336 -0.0335 -0.0334 3.5542 3.5543 3.5565 3.5565 6.8836 6.8837 6.8874 6.8881 7.3689 7.3714 7.3741 7.3769 8.0189 8.0313 8.0386 8.0541 8.2162 8.2276 8.2308 8.2386 8.7244 8.7246 8.7413 8.7434 8.8178 8.8191 8.8255 8.8257 11.7744 11.7812 11.8358 11.8422 12.4887 12.4951 12.5117 12.5263 k = 0.0300 0.2741-0.0000 ( 4364 PWs) bands (ev): -2.2662 -2.2661 -2.2659 -2.2658 -0.0427 -0.0427 -0.0426 -0.0426 3.5444 3.5445 3.5461 3.5461 6.8845 6.8846 6.8884 6.8890 7.3682 7.3708 7.3720 7.3748 8.0254 8.0385 8.0405 8.0561 8.2175 8.2265 8.2322 8.2383 8.7279 8.7280 8.7417 8.7435 8.8138 8.8161 8.8214 8.8223 11.7944 11.8009 11.8381 11.8443 12.4994 12.5056 12.5209 12.5313 k = 0.0200 0.2741-0.0000 ( 4364 PWs) bands (ev): -2.2730 -2.2730 -2.2728 -2.2728 -0.0492 -0.0492 -0.0491 -0.0491 3.5374 3.5375 3.5386 3.5386 6.8851 6.8852 6.8892 6.8895 7.3678 7.3704 7.3705 7.3732 8.0309 8.0412 8.0446 8.0567 8.2189 8.2252 8.2336 8.2378 8.7304 8.7305 8.7400 8.7414 8.8123 8.8144 8.8195 8.8206 11.8089 11.8152 11.8369 11.8430 12.5076 12.5137 12.5228 12.5311 k = 0.0100 0.2741-0.0000 ( 4368 PWs) bands (ev): -2.2771 -2.2771 -2.2771 -2.2770 -0.0531 -0.0530 -0.0530 -0.0530 3.5334 3.5334 3.5340 3.5340 6.8855 6.8855 6.8896 6.8898 7.3679 7.3691 7.3705 7.3719 8.0353 8.0405 8.0497 8.0558 8.2205 8.2236 8.2348 8.2370 8.7325 8.7328 8.7375 8.7383 8.8122 8.8134 8.8189 8.8196 11.8196 11.8258 11.8332 11.8393 12.5138 12.5201 12.5217 12.5288 k = 0.0000 0.2741-0.0000 ( 4364 PWs) bands (ev): -2.2785 -2.2785 -2.2784 -2.2784 -0.0544 -0.0544 -0.0543 -0.0543 3.5322 3.5322 3.5323 3.5323 6.8856 6.8856 6.8898 6.8898 7.3683 7.3683 7.3710 7.3710 8.0386 8.0386 8.0534 8.0534 8.2221 8.2221 8.2360 8.2360 8.7348 8.7348 8.7353 8.7353 8.8127 8.8127 8.8191 8.8191 11.8275 11.8275 11.8336 11.8336 12.5185 12.5185 12.5250 12.5250 k = 0.0000 0.2741-0.0000 ( 4364 PWs) bands (ev): -2.2785 -2.2785 -2.2784 -2.2784 -0.0544 -0.0544 -0.0543 -0.0543 3.5322 3.5322 3.5323 3.5323 6.8856 6.8856 6.8898 6.8898 7.3683 7.3683 7.3710 7.3710 8.0386 8.0386 8.0534 8.0534 8.2221 8.2221 8.2360 8.2360 8.7348 8.7348 8.7353 8.7353 8.8127 8.8127 8.8191 8.8191 11.8275 11.8275 11.8336 11.8336 12.5185 12.5185 12.5250 12.5250 k = 0.0000 0.2639-0.0000 ( 4364 PWs) bands (ev): -2.3502 -2.3502 -2.2047 -2.2047 -0.0588 -0.0587 -0.0512 -0.0512 3.5183 3.5184 3.5527 3.5527 6.7448 6.7490 7.0125 7.0162 7.3615 7.3638 7.3774 7.3803 8.0326 8.0440 8.0473 8.0588 8.2008 8.2151 8.2455 8.2586 8.7272 8.7281 8.7436 8.7440 8.8105 8.8152 8.8155 8.8234 11.7750 11.7829 11.8502 11.8539 12.5016 12.5063 12.5628 12.5707 k = 0.0000 0.2538-0.0000 ( 4362 PWs) bands (ev): -2.4198 -2.4197 -2.1291 -2.1290 -0.0644 -0.0643 -0.0493 -0.0493 3.5110 3.5110 3.5796 3.5797 6.5940 6.5981 7.1187 7.1214 7.3567 7.3588 7.3916 7.3940 8.0257 8.0403 8.0491 8.0638 8.1818 8.1961 8.2707 8.2827 8.7210 8.7228 8.7530 8.7537 8.8086 8.8126 8.8181 8.8285 11.6985 11.7072 11.8447 11.8461 12.5115 12.5130 12.6235 12.6309 k = 0.0000 0.2436-0.0000 ( 4374 PWs) bands (ev): -2.4871 -2.4871 -2.0517 -2.0517 -0.0712 -0.0712 -0.0485 -0.0485 3.5100 3.5101 3.6130 3.6131 6.4358 6.4397 7.1937 7.1945 7.3541 7.3563 7.4186 7.4194 8.0175 8.0318 8.0539 8.0682 8.1651 8.1793 8.2970 8.3074 8.7167 8.7199 8.7628 8.7641 8.8072 8.8103 8.8215 8.8346 11.6065 11.6151 11.8196 11.8201 12.5314 12.5402 12.6263 12.6341 k = 0.0000 0.2335-0.0000 ( 4376 PWs) bands (ev): -2.5522 -2.5521 -1.9728 -1.9727 -0.0792 -0.0791 -0.0488 -0.0488 3.5155 3.5155 3.6528 3.6529 6.2725 6.2761 7.2295 7.2306 7.3517 7.3544 7.4634 7.4643 8.0078 8.0217 8.0587 8.0723 8.1509 8.1648 8.3231 8.3315 8.7147 8.7199 8.7727 8.7748 8.8063 8.8085 8.8253 8.8419 11.5058 11.5140 11.7852 11.7871 12.5110 12.5376 12.5845 12.6117 k = 0.0000 0.2233-0.0000 ( 4368 PWs) bands (ev): -2.6148 -2.6148 -1.8924 -1.8923 -0.0882 -0.0881 -0.0500 -0.0500 3.5271 3.5271 3.6989 3.6990 6.1055 6.1088 7.2377 7.2397 7.3464 7.3498 7.5175 7.5191 7.9964 8.0098 8.0637 8.0762 8.1393 8.1526 8.3470 8.3533 8.7153 8.7233 8.7823 8.7849 8.8061 8.8074 8.8300 8.8503 11.4015 11.4090 11.7519 11.7550 12.4348 12.4488 12.6271 12.6429 k = 0.0000 0.2132-0.0000 ( 4372 PWs) bands (ev): -2.6750 -2.6750 -1.8109 -1.8108 -0.0981 -0.0980 -0.0520 -0.0520 3.5447 3.5448 3.7510 3.7511 5.9364 5.9394 7.2330 7.2351 7.3366 7.3406 7.5686 7.5702 7.9832 7.9960 8.0684 8.0795 8.1301 8.1429 8.3663 8.3705 8.7184 8.7300 8.7913 8.7932 8.8072 8.8076 8.8356 8.8596 11.2971 11.3038 11.7263 11.7305 12.3502 12.3599 12.6723 12.6845 k = 0.0000 0.2030-0.0000 ( 4366 PWs) bands (ev): -2.7327 -2.7327 -1.7285 -1.7284 -0.1088 -0.1087 -0.0544 -0.0544 3.5681 3.5682 3.8090 3.8092 5.7663 5.7690 7.2222 7.2243 7.3216 7.3260 7.6106 7.6118 7.9687 7.9809 8.0730 8.0824 8.1232 8.1354 8.3793 8.3816 8.7230 8.7390 8.7978 8.7982 8.8094 8.8120 8.8425 8.8690 11.1949 11.2008 11.7133 11.7187 12.2660 12.2735 12.7165 12.7271 k = 0.0000 0.1929-0.0000 ( 4372 PWs) bands (ev): -2.7878 -2.7878 -1.6455 -1.6454 -0.1202 -0.1201 -0.0571 -0.0571 3.5970 3.5971 3.8728 3.8729 5.5961 5.5986 7.2081 7.2101 7.3008 7.3054 7.6414 7.6424 7.9533 7.9649 8.0773 8.0846 8.1182 8.1299 8.3852 8.3856 8.7279 8.7486 8.7996 8.8013 8.8159 8.8179 8.8504 8.8775 11.0966 11.1017 11.7164 11.7230 12.1841 12.1903 12.7586 12.7682 k = 0.0000 0.1827-0.0000 ( 4362 PWs) bands (ev): -2.8404 -2.8403 -1.5623 -1.5622 -0.1321 -0.1320 -0.0597 -0.0597 3.6311 3.6311 3.9420 3.9422 5.4268 5.4291 7.1921 7.1940 7.2738 7.2785 7.6610 7.6619 7.9377 7.9488 8.0813 8.0861 8.1148 8.1261 8.3828 8.3842 8.7316 8.7564 8.8005 8.8024 8.8240 8.8251 8.8587 8.8844 11.0032 11.0076 11.7374 11.7451 12.1055 12.1111 12.7982 12.8074 k = 0.0000 0.1726-0.0000 ( 4364 PWs) bands (ev): -2.8902 -2.8902 -1.4792 -1.4791 -0.1443 -0.1442 -0.0620 -0.0619 3.6698 3.6699 4.0164 4.0166 5.2594 5.2614 7.1746 7.1763 7.2401 7.2448 7.6697 7.6706 7.9226 7.9330 8.0849 8.0869 8.1128 8.1236 8.3737 8.3769 8.7327 8.7604 8.8012 8.8032 8.8302 8.8351 8.8667 8.8891 10.9156 10.9193 11.7761 11.7844 12.0315 12.0372 12.8354 12.8444 k = 0.0000 0.1624-0.0000 ( 4360 PWs) bands (ev): -2.9374 -2.9373 -1.3969 -1.3968 -0.1567 -0.1567 -0.0634 -0.0634 3.7129 3.7130 4.0957 4.0960 5.0946 5.0964 7.1557 7.1574 7.1996 7.2042 7.6678 7.6687 7.9086 7.9184 8.0867 8.0877 8.1119 8.1221 8.3595 8.3648 8.7307 8.7592 8.8019 8.8042 8.8364 8.8452 8.8749 8.8922 10.8343 10.8375 11.8272 11.8336 11.9669 11.9754 12.8706 12.8796 k = 0.0000 0.1523-0.0000 ( 4364 PWs) bands (ev): -2.9818 -2.9818 -1.3158 -1.3157 -0.1692 -0.1692 -0.0637 -0.0636 3.7597 3.7598 4.1796 4.1799 4.9335 4.9351 7.1352 7.1371 7.1529 7.1569 7.6552 7.6560 7.8959 7.9051 8.0858 8.0898 8.1118 8.1214 8.3414 8.3491 8.7253 8.7527 8.8029 8.8053 8.8423 8.8543 8.8836 8.8952 10.7595 10.7622 11.8477 11.8487 11.9520 11.9689 12.9044 12.9136 k = 0.0000 0.1421-0.0000 ( 4354 PWs) bands (ev): -3.0235 -3.0235 -1.2367 -1.2365 -0.1816 -0.1816 -0.0623 -0.0623 3.8094 3.8095 4.2674 4.2677 4.7775 4.7789 7.0978 7.1021 7.1153 7.1165 7.6322 7.6327 7.8848 7.8934 8.0842 8.0912 8.1123 8.1213 8.3211 8.3314 8.7171 8.7421 8.8043 8.8067 8.8475 8.8612 8.8933 8.8998 10.6915 10.6937 11.8003 11.8015 12.0229 12.0411 12.9377 12.9472 k = 0.0000 0.1320-0.0000 ( 4344 PWs) bands (ev): -3.0624 -3.0624 -1.1602 -1.1601 -0.1938 -0.1937 -0.0589 -0.0588 3.8610 3.8611 4.3570 4.3574 4.6296 4.6309 7.0390 7.0429 7.0913 7.0926 7.5984 7.5987 7.8754 7.8833 8.0820 8.0917 8.1133 8.1216 8.3003 8.3131 8.7069 8.7289 8.8059 8.8082 8.8519 8.8655 8.9039 8.9071 10.6300 10.6318 11.7423 11.7431 12.1184 12.1373 12.9718 12.9817 k = 0.0000 0.1218-0.0000 ( 4346 PWs) bands (ev): -3.0985 -3.0985 -1.0873 -1.0871 -0.2056 -0.2055 -0.0528 -0.0527 3.9123 3.9125 4.4243 4.4252 4.5159 4.5166 6.9750 6.9784 7.0650 7.0663 7.5548 7.5549 7.8675 7.8747 8.0795 8.0912 8.1146 8.1222 8.2806 8.2955 8.6956 8.7146 8.8078 8.8099 8.8557 8.8680 8.9149 8.9162 10.5750 10.5764 11.6852 11.6859 12.2217 12.2414 13.0083 13.0185 k = 0.0000 0.1117-0.0000 ( 4340 PWs) bands (ev): -3.1318 -3.1318 -1.0188 -1.0186 -0.2169 -0.2168 -0.0437 -0.0436 3.9588 3.9589 4.3387 4.3397 4.5716 4.5720 6.9071 6.9100 7.0345 7.0360 7.5029 7.5033 7.8609 7.8675 8.0769 8.0899 8.1161 8.1230 8.2633 8.2797 8.6842 8.7003 8.8098 8.8118 8.8590 8.8695 8.9260 8.9264 10.5261 10.5273 11.6312 11.6318 12.3258 12.3461 13.0493 13.0597 k = 0.0000 0.1015-0.0000 ( 4350 PWs) bands (ev): -3.1623 -3.1622 -0.9555 -0.9553 -0.2276 -0.2275 -0.0312 -0.0311 3.9854 3.9855 4.2404 4.2411 4.6711 4.6716 6.8364 6.8390 6.9981 6.9996 7.4460 7.4467 7.8554 7.8614 8.0744 8.0880 8.1177 8.1239 8.2489 8.2659 8.6731 8.6868 8.8119 8.8138 8.8619 8.8707 8.9369 8.9369 10.4831 10.4840 11.5810 11.5816 12.4247 12.4451 13.0971 13.1071 k = 0.0000 0.0914-0.0000 ( 4350 PWs) bands (ev): -3.1899 -3.1898 -0.8984 -0.8982 -0.2376 -0.2375 -0.0153 -0.0151 3.9564 3.9569 4.2028 4.2031 4.7763 4.7768 6.7645 6.7667 6.9531 6.9547 7.3885 7.3893 7.8510 7.8564 8.0722 8.0856 8.1193 8.1249 8.2377 8.2545 8.6630 8.6744 8.8141 8.8158 8.8646 8.8718 8.9470 8.9472 10.4456 10.4463 11.5348 11.5355 12.5132 12.5328 13.1529 13.1618 k = 0.0000 0.0812-0.0000 ( 4354 PWs) bands (ev): -3.2146 -3.2146 -0.8479 -0.8478 -0.2468 -0.2467 0.0040 0.0042 3.8738 3.8744 4.2264 4.2264 4.8842 4.8848 6.6926 6.6945 6.8971 6.8988 7.3348 7.3356 7.8474 7.8522 8.0704 8.0831 8.1208 8.1258 8.2293 8.2453 8.6540 8.6635 8.8163 8.8178 8.8670 8.8729 8.9566 8.9569 10.4132 10.4137 11.4931 11.4938 12.5876 12.6056 13.2139 13.2213 k = 0.0000 0.0711-0.0000 ( 4344 PWs) bands (ev): -3.2364 -3.2364 -0.8045 -0.8044 -0.2551 -0.2551 0.0261 0.0262 3.7775 3.7780 4.2715 4.2716 4.9939 4.9945 6.6225 6.6241 6.8289 6.8307 7.2886 7.2892 7.8446 7.8488 8.0691 8.0805 8.1224 8.1268 8.2232 8.2378 8.6461 8.6540 8.8184 8.8198 8.8692 8.8740 8.9655 8.9659 10.3856 10.3860 11.4559 11.4565 12.6467 12.6622 13.2662 13.2720 k = 0.0000 0.0609-0.0000 ( 4340 PWs) bands (ev): -3.2554 -3.2554 -0.7683 -0.7681 -0.2624 -0.2624 0.0500 0.0501 3.6845 3.6850 4.3214 4.3215 5.1040 5.1046 6.5557 6.5570 6.7493 6.7510 7.2514 7.2519 7.8424 7.8459 8.0681 8.0781 8.1239 8.1276 8.2190 8.2319 8.6395 8.6459 8.8204 8.8216 8.8712 8.8749 8.9736 8.9739 10.3625 10.3628 11.4233 11.4239 12.6915 12.7044 13.2913 13.2953 k = 0.0000 0.0508-0.0000 ( 4343 PWs) bands (ev): -3.2714 -3.2714 -0.7389 -0.7388 -0.2688 -0.2687 0.0743 0.0744 3.6007 3.6011 4.3699 4.3700 5.2130 5.2137 6.4942 6.4952 6.6613 6.6630 7.2229 7.2232 7.8407 7.8436 8.0674 8.0759 8.1252 8.1283 8.2162 8.2271 8.6340 8.6392 8.8222 8.8232 8.8728 8.8758 8.9805 8.9808 10.3435 10.3437 11.3956 11.3961 12.7246 12.7348 13.2997 13.3025 k = 0.0000 0.0406-0.0000 ( 4339 PWs) bands (ev): -3.2846 -3.2846 -0.7160 -0.7159 -0.2740 -0.2740 0.0974 0.0975 3.5290 3.5294 4.4139 4.4139 5.3185 5.3192 6.4397 6.4405 6.5698 6.5713 7.2018 7.2020 7.8394 7.8417 8.0671 8.0739 8.1264 8.1289 8.2145 8.2233 8.6297 8.6337 8.8238 8.8246 8.8742 8.8765 8.9863 8.9866 10.3283 10.3284 11.3727 11.3731 12.7484 12.7563 13.3029 13.3049 k = 0.0000 0.0305-0.0000 ( 4331 PWs) bands (ev): -3.2948 -3.2948 -0.6989 -0.6988 -0.2781 -0.2781 0.1177 0.1178 3.4713 3.4716 4.4510 4.4510 5.4167 5.4174 6.3938 6.3945 6.4811 6.4824 7.1868 7.1869 7.8385 7.8403 8.0671 8.0722 8.1275 8.1293 8.2137 8.2204 8.6265 8.6294 8.8252 8.8258 8.8754 8.8770 8.9910 8.9912 10.3167 10.3168 11.3549 11.3552 12.7651 12.7708 13.3044 13.3058 k = 0.0000 0.0203-0.0000 ( 4323 PWs) bands (ev): -3.3021 -3.3021 -0.6871 -0.6871 -0.2811 -0.2811 0.1335 0.1335 3.4291 3.4292 4.4791 4.4792 5.5010 5.5016 6.3571 6.3577 6.4049 6.4058 7.1767 7.1768 7.8380 7.8392 8.0674 8.0708 8.1283 8.1295 8.2136 8.2180 8.6244 8.6263 8.8262 8.8266 8.8764 8.8775 8.9944 8.9945 10.3087 10.3087 11.3421 11.3423 12.7764 12.7800 13.3052 13.3060 k = 0.0000 0.0102-0.0000 ( 4321 PWs) bands (ev): -3.3065 -3.3065 -0.6803 -0.6803 -0.2829 -0.2829 0.1435 0.1436 3.4033 3.4034 4.4968 4.4968 5.5608 5.5612 6.3263 6.3268 6.3580 6.3582 7.1709 7.1710 7.8379 7.8385 8.0679 8.0696 8.1289 8.1295 8.2140 8.2162 8.6233 8.6242 8.8268 8.8270 8.8771 8.8776 8.9964 8.9965 10.3039 10.3039 11.3344 11.3345 12.7831 12.7849 13.3056 13.3060 k = 0.0000 0.0000 0.0000 ( 4329 PWs) bands (ev): -3.3079 -3.3079 -0.6780 -0.6780 -0.2835 -0.2835 0.1470 0.1470 3.3946 3.3946 4.5028 4.5028 5.5831 5.5831 6.3107 6.3107 6.3454 6.3454 7.1690 7.1690 7.8379 7.8379 8.0685 8.0685 8.1293 8.1293 8.2148 8.2148 8.6232 8.6232 8.8271 8.8271 8.8774 8.8774 8.9971 8.9971 10.3022 10.3022 11.3319 11.3319 12.7858 12.7858 13.3058 13.3058 k = 0.0000 0.0000 0.0000 ( 4329 PWs) bands (ev): -3.3079 -3.3079 -0.6780 -0.6780 -0.2835 -0.2835 0.1470 0.1470 3.3946 3.3946 4.5028 4.5028 5.5831 5.5831 6.3107 6.3107 6.3454 6.3454 7.1690 7.1690 7.8379 7.8379 8.0685 8.0685 8.1293 8.1293 8.2148 8.2148 8.6232 8.6232 8.8271 8.8271 8.8774 8.8774 8.9971 8.9971 10.3022 10.3022 11.3319 11.3319 12.7858 12.7858 13.3058 13.3058 k = 0.0000 0.0000 0.0098 ( 4333 PWs) bands (ev): -3.3066 -3.3066 -0.6946 -0.6945 -0.2690 -0.2690 0.1476 0.1476 3.3960 3.3960 4.5023 4.5023 5.5886 5.5886 6.2255 6.2256 6.4238 6.4238 7.1752 7.1753 7.8381 7.8385 8.0684 8.0690 8.1294 8.1294 8.2145 8.2150 8.6232 8.6232 8.8268 8.8269 8.8770 8.8770 8.9968 8.9969 10.3031 10.3033 11.3339 11.3340 12.7610 12.7624 13.2790 13.2850 k = 0.0000 0.0000 0.0196 ( 4329 PWs) bands (ev): -3.3026 -3.3026 -0.7383 -0.7383 -0.2312 -0.2312 0.1496 0.1496 3.4000 3.4000 4.5012 4.5013 5.6048 5.6048 6.1211 6.1213 6.5076 6.5077 7.1942 7.1946 7.8387 7.8395 8.0685 8.0698 8.1296 8.1297 8.2139 8.2149 8.6233 8.6233 8.8263 8.8265 8.8759 8.8760 8.9962 8.9964 10.3058 10.3063 11.3401 11.3402 12.6901 12.6923 13.2266 13.2363 k = 0.0000 0.0000 0.0293 ( 4337 PWs) bands (ev): -3.2959 -3.2959 -0.7990 -0.7990 -0.1805 -0.1805 0.1528 0.1528 3.4064 3.4064 4.5003 4.5004 5.6301 5.6302 6.0147 6.0149 6.5794 6.5795 7.2269 7.2275 7.8399 7.8411 8.0689 8.0708 8.1300 8.1300 8.2130 8.2145 8.6235 8.6236 8.8254 8.8256 8.8741 8.8742 8.9951 8.9954 10.3104 10.3110 11.3504 11.3505 12.5806 12.5831 13.1724 13.1841 k = 0.0000 0.0000 0.0391 ( 4345 PWs) bands (ev): -3.2866 -3.2866 -0.8694 -0.8694 -0.1242 -0.1242 0.1573 0.1573 3.4150 3.4150 4.5007 4.5009 5.6609 5.6611 5.9107 5.9112 6.6366 6.6368 7.2732 7.2742 7.8417 7.8432 8.0694 8.0721 8.1305 8.1306 8.2117 8.2137 8.6242 8.6244 8.8241 8.8245 8.8717 8.8718 8.9936 8.9940 10.3168 10.3177 11.3647 11.3648 12.4448 12.4471 13.1215 13.1345 k = 0.0000 0.0000 0.0489 ( 4349 PWs) bands (ev): -3.2745 -3.2745 -0.9455 -0.9455 -0.0662 -0.0662 0.1631 0.1631 3.4253 3.4253 4.5041 4.5043 5.6808 5.6815 5.8252 5.8263 6.6788 6.6792 7.3320 7.3335 7.8440 7.8459 8.0702 8.0737 8.1312 8.1313 8.2098 8.2124 8.6256 8.6259 8.8226 8.8230 8.8686 8.8689 8.9918 8.9923 10.3255 10.3266 11.3829 11.3831 12.2944 12.2964 13.0712 13.0853 k = 0.0000 0.0000 0.0587 ( 4339 PWs) bands (ev): -3.2599 -3.2599 -1.0250 -1.0250 -0.0087 -0.0087 0.1700 0.1701 3.4368 3.4368 4.5117 4.5119 5.6354 5.6361 5.8131 5.8142 6.7074 6.7080 7.4001 7.4022 7.8469 7.8492 8.0711 8.0755 8.1321 8.1322 8.2071 8.2102 8.6283 8.6287 8.8208 8.8214 8.8651 8.8655 8.9898 8.9904 10.3363 10.3376 11.4048 11.4050 12.1382 12.1399 13.0183 13.0333 k = 0.0000 0.0000 0.0685 ( 4349 PWs) bands (ev): -3.2425 -3.2425 -1.1067 -1.1066 0.0468 0.0468 0.1782 0.1782 3.4491 3.4491 4.5249 4.5252 5.5406 5.5409 5.8580 5.8589 6.7246 6.7253 7.4734 7.4763 7.8503 7.8530 8.0720 8.0773 8.1331 8.1331 8.2032 8.2068 8.6328 8.6334 8.8187 8.8193 8.8612 8.8617 8.9875 8.9882 10.3493 10.3509 11.4299 11.4302 11.9826 11.9840 12.9606 12.9765 k = 0.0000 0.0000 0.0783 ( 4349 PWs) bands (ev): -3.2226 -3.2226 -1.1896 -1.1896 0.0997 0.0997 0.1874 0.1874 3.4617 3.4618 4.5448 4.5451 5.4365 5.4367 5.9186 5.9193 6.7327 6.7336 7.5478 7.5515 7.8543 7.8573 8.0726 8.0790 8.1342 8.1342 8.1978 8.2018 8.6399 8.6407 8.8163 8.8171 8.8570 8.8577 8.9851 8.9858 10.3649 10.3667 11.4572 11.4578 11.8330 11.8338 12.8967 12.9133 k = 0.0000 0.0000 0.0880 ( 4347 PWs) bands (ev): -3.2000 -3.1999 -1.2733 -1.2732 0.1492 0.1493 0.1977 0.1978 3.4746 3.4746 4.5720 4.5724 5.3318 5.3319 5.9861 5.9868 6.7335 6.7346 7.6195 7.6243 7.8588 7.8621 8.0727 8.0799 8.1355 8.1355 8.1906 8.1949 8.6505 8.6515 8.8138 8.8148 8.8527 8.8536 8.9825 8.9833 10.3830 10.3851 11.4829 11.4841 11.6965 11.6965 12.8258 12.8431 k = 0.0000 0.0000 0.0978 ( 4351 PWs) bands (ev): -3.1747 -3.1747 -1.3572 -1.3571 0.1952 0.1952 0.2090 0.2091 3.4874 3.4875 4.6066 4.6070 5.2292 5.2292 6.0580 6.0587 6.7283 6.7295 7.6854 7.6915 7.8637 7.8675 8.0712 8.0791 8.1369 8.1369 8.1817 8.1858 8.6651 8.6664 8.8111 8.8123 8.8486 8.8498 8.9799 8.9806 10.4040 10.4064 11.4814 11.4842 11.5997 11.6015 12.7478 12.7654 k = 0.0000 0.0000 0.1076 ( 4353 PWs) bands (ev): -3.1469 -3.1469 -1.4410 -1.4409 0.2212 0.2213 0.2372 0.2372 3.5004 3.5005 4.6473 4.6478 5.1308 5.1308 6.1328 6.1336 6.7178 6.7192 7.7432 7.7508 7.8692 7.8733 8.0667 8.0746 8.1384 8.1385 8.1720 8.1752 8.6839 8.6855 8.8083 8.8098 8.8451 8.8466 8.9773 8.9781 10.4280 10.4307 11.4025 11.4049 11.5993 11.6009 12.6626 12.6805 k = 0.0000 0.0000 0.1174 ( 4349 PWs) bands (ev): -3.1164 -3.1164 -1.5244 -1.5244 0.2343 0.2343 0.2751 0.2751 3.5139 3.5140 4.6904 4.6910 5.0409 5.0410 6.2095 6.2103 6.7025 6.7041 7.7915 7.8007 7.8752 7.8797 8.0567 8.0636 8.1400 8.1406 8.1633 8.1647 8.7061 8.7081 8.8054 8.8073 8.8427 8.8448 8.9750 8.9758 10.4552 10.4582 11.3064 11.3082 11.6356 11.6369 12.5708 12.5885 k = 0.0000 0.0000 0.1272 ( 4357 PWs) bands (ev): -3.0834 -3.0834 -1.6072 -1.6072 0.2480 0.2480 0.3087 0.3087 3.5283 3.5284 4.7233 4.7239 4.9721 4.9722 6.2872 6.2880 6.6828 6.6845 7.8293 7.8403 7.8818 7.8865 8.0384 8.0434 8.1416 8.1433 8.1566 8.1572 8.7296 8.7321 8.8024 8.8049 8.8427 8.8453 8.9729 8.9735 10.4859 10.4892 11.2229 11.2244 11.6804 11.6816 12.4729 12.4904 k = 0.0000 0.0000 0.1369 ( 4363 PWs) bands (ev): -3.0478 -3.0478 -1.6892 -1.6891 0.2624 0.2624 0.3381 0.3381 3.5440 3.5441 4.7156 4.7162 4.9546 4.9547 6.3647 6.3656 6.6591 6.6609 7.8556 7.8686 7.8891 7.8939 8.0112 8.0147 8.1433 8.1465 8.1523 8.1543 8.7507 8.7537 8.7995 8.8025 8.8471 8.8502 8.9711 8.9717 10.5201 10.5237 11.1582 11.1594 11.7300 11.7312 12.3699 12.3869 k = 0.0000 0.0000 0.1467 ( 4357 PWs) bands (ev): -3.0097 -3.0097 -1.7701 -1.7701 0.2772 0.2772 0.3633 0.3633 3.5617 3.5618 4.6590 4.6594 4.9962 4.9963 6.4399 6.4407 6.6331 6.6348 7.8676 7.8826 7.8969 7.9013 7.9801 7.9826 8.1450 8.1501 8.1513 8.1534 8.7657 8.7691 8.7967 8.8002 8.8579 8.8614 8.9698 8.9702 10.5581 10.5621 11.1147 11.1157 11.7831 11.7844 12.2628 12.2794 k = 0.0000 0.0000 0.1565 ( 4359 PWs) bands (ev): -2.9691 -2.9691 -1.8499 -1.8498 0.2924 0.2924 0.3842 0.3842 3.5818 3.5819 4.5821 4.5824 5.0674 5.0677 6.5034 6.5037 6.6136 6.6148 7.8566 7.8707 7.9034 7.9074 7.9598 7.9605 8.1467 8.1521 8.1535 8.1540 8.7735 8.7772 8.7939 8.7975 8.8744 8.8781 8.9690 8.9692 10.6001 10.6044 11.0936 11.0944 11.8392 11.8406 12.1529 12.1691 k = 0.0000 0.0000 0.1663 ( 4354 PWs) bands (ev): -2.9259 -2.9259 -1.9283 -1.9283 0.3078 0.3078 0.4011 0.4011 3.6047 3.6049 4.5002 4.5005 5.1523 5.1527 6.5154 6.5167 6.6386 6.6392 7.8164 7.8265 7.9096 7.9144 7.9544 7.9593 8.1485 8.1538 8.1546 8.1571 8.7765 8.7802 8.7912 8.7945 8.8928 8.8965 8.9687 8.9688 10.6461 10.6509 11.0953 11.0958 11.8980 11.8989 12.0414 12.0579 k = 0.0000 0.0000 0.1761 ( 4362 PWs) bands (ev): -2.8803 -2.8803 -2.0053 -2.0052 0.3232 0.3232 0.4141 0.4141 3.6310 3.6312 4.4183 4.4186 5.2452 5.2457 6.4796 6.4815 6.7040 6.7053 7.7579 7.7658 7.9162 7.9217 7.9568 7.9637 8.1503 8.1557 8.1559 8.1599 8.7772 8.7806 8.7885 8.7914 8.9097 8.9134 8.9688 8.9688 10.6965 10.7018 11.1187 11.1189 11.9281 11.9307 11.9605 11.9755 k = 0.0000 0.0000 0.1858 ( 4366 PWs) bands (ev): -2.8323 -2.8323 -2.0807 -2.0806 0.3384 0.3385 0.4233 0.4234 3.6610 3.6611 4.3382 4.3385 5.3433 5.3439 6.4281 6.4302 6.7781 6.7796 7.6903 7.6972 7.9231 7.9291 7.9601 7.9680 8.1522 8.1573 8.1575 8.1622 8.7768 8.7798 8.7859 8.7883 8.9236 8.9273 8.9691 8.9693 10.7515 10.7573 11.1621 11.1622 11.8176 11.8282 12.0223 12.0305 k = 0.0000 0.0000 0.1956 ( 4358 PWs) bands (ev): -2.7818 -2.7818 -2.1544 -2.1544 0.3533 0.3534 0.4291 0.4291 3.6948 3.6950 4.2608 4.2610 5.4449 5.4456 6.3675 6.3695 6.8539 6.8556 7.6178 7.6239 7.9299 7.9363 7.9627 7.9710 8.1539 8.1589 8.1589 8.1639 8.7762 8.7787 8.7836 8.7854 8.9344 8.9378 8.9697 8.9697 10.8116 10.8179 11.2226 11.2232 11.7083 11.7187 12.0834 12.0961 k = 0.0000 0.0000 0.2054 ( 4362 PWs) bands (ev): -2.7290 -2.7290 -2.2264 -2.2263 0.3676 0.3677 0.4316 0.4316 3.7327 3.7329 4.1866 4.1868 5.5485 5.5493 6.2989 6.3009 6.9298 6.9319 7.5423 7.5478 7.9364 7.9432 7.9640 7.9724 8.1556 8.1600 8.1604 8.1651 8.7755 8.7776 8.7814 8.7828 8.9425 8.9457 8.9698 8.9699 10.8770 10.8838 11.2966 11.2981 11.6030 11.6124 12.1239 12.1552 k = 0.0000 0.0000 0.2152 ( 4356 PWs) bands (ev): -2.6738 -2.6738 -2.2964 -2.2964 0.3812 0.3812 0.4311 0.4311 3.7749 3.7750 4.1159 4.1161 5.6528 5.6537 6.2229 6.2248 7.0057 7.0081 7.4655 7.4704 7.9425 7.9497 7.9640 7.9724 8.1571 8.1607 8.1619 8.1658 8.7751 8.7767 8.7796 8.7805 8.9489 8.9516 8.9691 8.9694 10.9479 10.9553 11.3733 11.3779 11.5107 11.5168 12.0659 12.0813 k = 0.0000 0.0000 0.2250 ( 4358 PWs) bands (ev): -2.6164 -2.6163 -2.3646 -2.3646 0.3937 0.3937 0.4279 0.4279 3.8212 3.8214 4.0489 4.0491 5.7564 5.7575 6.1401 6.1419 7.0816 7.0844 7.3881 7.3925 7.9481 7.9555 7.9628 7.9710 8.1584 8.1610 8.1632 8.1660 8.7750 8.7762 8.7781 8.7786 8.9540 8.9563 8.9675 8.9682 11.0242 11.0322 11.3677 11.3792 11.5137 11.5146 11.9547 11.9609 k = 0.0000 0.0000 0.2348 ( 4356 PWs) bands (ev): -2.5567 -2.5566 -2.4307 -2.4307 0.4048 0.4049 0.4222 0.4223 3.8719 3.8721 3.9858 3.9860 5.8581 5.8594 6.0511 6.0527 7.1577 7.1608 7.3109 7.3148 7.9531 7.9605 7.9608 7.9686 8.1595 8.1608 8.1643 8.1657 8.7753 8.7761 8.7770 8.7770 8.9584 8.9602 8.9652 8.9662 11.1059 11.1145 11.2821 11.2924 11.6107 11.6110 11.8373 11.8404 k = 0.0000 0.0000 0.2445 ( 4350 PWs) bands (ev): -2.4947 -2.4947 -2.4947 -2.4947 0.4145 0.4145 0.4145 0.4145 3.9268 3.9268 3.9269 3.9269 5.9567 5.9567 5.9582 5.9582 7.2341 7.2341 7.2376 7.2376 7.9572 7.9572 7.9652 7.9652 8.1603 8.1603 8.1652 8.1652 8.7760 8.7760 8.7764 8.7764 8.9621 8.9621 8.9636 8.9636 11.1923 11.1923 11.2016 11.2016 11.7214 11.7214 11.7228 11.7228 k = 0.0000 0.0000 0.2445 ( 4350 PWs) bands (ev): -2.4947 -2.4947 -2.4947 -2.4947 0.4145 0.4145 0.4145 0.4145 3.9268 3.9268 3.9269 3.9269 5.9567 5.9567 5.9582 5.9582 7.2341 7.2341 7.2376 7.2376 7.9572 7.9572 7.9652 7.9652 8.1603 8.1603 8.1652 8.1652 8.7760 8.7760 8.7764 8.7764 8.9621 8.9621 8.9636 8.9636 11.1923 11.1923 11.2016 11.2016 11.7214 11.7214 11.7228 11.7228 k = 0.0100-0.0000 0.2445 ( 4358 PWs) bands (ev): -2.4933 -2.4933 -2.4933 -2.4933 0.4156 0.4156 0.4157 0.4157 3.9281 3.9282 3.9283 3.9284 5.9578 5.9580 5.9591 5.9596 7.2337 7.2339 7.2372 7.2375 7.9548 7.9593 7.9628 7.9672 8.1595 8.1608 8.1642 8.1657 8.7677 8.7677 8.7789 8.7797 8.9595 8.9605 8.9679 8.9697 11.1892 11.1941 11.1979 11.2042 11.7174 11.7199 11.7267 11.7271 k = 0.0200-0.0000 0.2445 ( 4358 PWs) bands (ev): -2.4890 -2.4890 -2.4890 -2.4890 0.4191 0.4191 0.4191 0.4192 3.9322 3.9324 3.9324 3.9326 5.9611 5.9616 5.9624 5.9633 7.2330 7.2334 7.2365 7.2369 7.9521 7.9602 7.9611 7.9690 8.1581 8.1608 8.1628 8.1659 8.7547 8.7550 8.7761 8.7773 8.9605 8.9611 8.9761 8.9782 11.1847 11.1926 11.1947 11.2056 11.7142 11.7178 11.7330 11.7335 k = 0.0300-0.0000 0.2445 ( 4354 PWs) bands (ev): -2.4819 -2.4818 -2.4818 -2.4818 0.4249 0.4249 0.4249 0.4250 3.9392 3.9393 3.9394 3.9396 5.9668 5.9676 5.9680 5.9693 7.2318 7.2324 7.2352 7.2360 7.9488 7.9570 7.9626 7.9706 8.1561 8.1606 8.1608 8.1658 8.7382 8.7386 8.7679 8.7695 8.9649 8.9651 8.9860 8.9882 11.1780 11.1852 11.1937 11.2055 11.7113 11.7162 11.7405 11.7420 k = 0.0400-0.0000 0.2445 ( 4354 PWs) bands (ev): -2.4718 -2.4718 -2.4718 -2.4718 0.4330 0.4331 0.4331 0.4331 3.9488 3.9489 3.9491 3.9494 5.9748 5.9758 5.9759 5.9776 7.2301 7.2310 7.2336 7.2346 7.9449 7.9532 7.9638 7.9719 8.1533 8.1581 8.1601 8.1654 8.7187 8.7192 8.7548 8.7568 8.9718 8.9719 8.9967 8.9991 11.1681 11.1747 11.1905 11.2031 11.7077 11.7140 11.7497 11.7524 k = 0.0500-0.0000 0.2445 ( 4354 PWs) bands (ev): -2.4589 -2.4589 -2.4589 -2.4589 0.4434 0.4435 0.4435 0.4435 3.9613 3.9613 3.9616 3.9620 5.9851 5.9861 5.9863 5.9882 7.2280 7.2292 7.2314 7.2328 7.9401 7.9485 7.9646 7.9728 8.1497 8.1546 8.1594 8.1648 8.6967 8.6974 8.7378 8.7400 8.9804 8.9808 9.0078 9.0103 11.1534 11.1593 11.1838 11.1973 11.7020 11.7100 11.7604 11.7645 k = 0.0600-0.0000 0.2445 ( 4364 PWs) bands (ev): -2.4432 -2.4432 -2.4431 -2.4431 0.4561 0.4562 0.4562 0.4562 3.9765 3.9765 3.9769 3.9772 5.9976 5.9986 5.9990 6.0011 7.2255 7.2270 7.2288 7.2305 7.9340 7.9426 7.9648 7.9732 8.1449 8.1499 8.1584 8.1639 8.6726 8.6734 8.7174 8.7198 8.9900 8.9906 9.0189 9.0215 11.1315 11.1367 11.1716 11.1860 11.6924 11.7022 11.7718 11.7783 k = 0.0700-0.0000 0.2445 ( 4364 PWs) bands (ev): -2.4246 -2.4246 -2.4245 -2.4245 0.4711 0.4711 0.4712 0.4712 3.9944 3.9944 3.9948 3.9952 6.0123 6.0132 6.0139 6.0161 7.2224 7.2243 7.2258 7.2279 7.9265 7.9352 7.9640 7.9728 8.1389 8.1442 8.1572 8.1629 8.6468 8.6475 8.6943 8.6968 9.0003 9.0010 9.0298 9.0324 11.0991 11.1038 11.1508 11.1659 11.6771 11.6886 11.7809 11.7925 k = 0.0800-0.0000 0.2445 ( 4364 PWs) bands (ev): -2.4031 -2.4031 -2.4030 -2.4030 0.4883 0.4884 0.4884 0.4885 4.0151 4.0151 4.0155 4.0159 6.0291 6.0299 6.0309 6.0332 7.2189 7.2213 7.2222 7.2249 7.9170 7.9259 7.9618 7.9710 8.1317 8.1372 8.1558 8.1616 8.6194 8.6202 8.6687 8.6713 9.0106 9.0114 9.0403 9.0429 11.0527 11.0568 11.1170 11.1322 11.6558 11.6684 11.7714 11.7952 k = 0.0900-0.0000 0.2445 ( 4372 PWs) bands (ev): -2.3789 -2.3788 -2.3787 -2.3787 0.5078 0.5079 0.5079 0.5080 4.0384 4.0384 4.0388 4.0392 6.0480 6.0488 6.0499 6.0524 7.2149 7.2178 7.2182 7.2214 7.9049 7.9138 7.9575 7.9671 8.1230 8.1290 8.1542 8.1601 8.5907 8.5915 8.6411 8.6437 9.0208 9.0216 9.0502 9.0528 10.9890 10.9928 11.0650 11.0795 11.6314 11.6442 11.7171 11.7344 k = 0.1000-0.0000 0.2445 ( 4372 PWs) bands (ev): -2.3517 -2.3517 -2.3516 -2.3516 0.5295 0.5295 0.5297 0.5297 4.0644 4.0644 4.0647 4.0652 6.0688 6.0695 6.0708 6.0735 7.2104 7.2137 7.2139 7.2175 7.8895 7.8985 7.9500 7.9600 8.1134 8.1196 8.1525 8.1584 8.5611 8.5619 8.6116 8.6143 9.0306 9.0315 9.0595 9.0620 10.9076 10.9111 10.9915 11.0044 11.6089 11.6213 11.6597 11.6702 k = 0.1100-0.0000 0.2445 ( 4376 PWs) bands (ev): -2.3218 -2.3217 -2.3216 -2.3216 0.5533 0.5534 0.5536 0.5536 4.0930 4.0931 4.0932 4.0937 6.0915 6.0922 6.0936 6.0965 7.2054 7.2086 7.2096 7.2132 7.8700 7.8789 7.9375 7.9479 8.1033 8.1097 8.1506 8.1565 8.5311 8.5319 8.5807 8.5833 9.0399 9.0407 9.0680 9.0705 10.8106 10.8140 10.8974 10.9083 11.5923 11.6040 11.6203 11.6263 k = 0.1200-0.0000 0.2445 ( 4368 PWs) bands (ev): -2.2890 -2.2890 -2.2889 -2.2888 0.5794 0.5794 0.5796 0.5796 4.1242 4.1243 4.1243 4.1248 6.1160 6.1166 6.1181 6.1211 7.1999 7.2031 7.2049 7.2085 7.8453 7.8541 7.9182 7.9285 8.0938 8.1001 8.1486 8.1544 8.5013 8.5022 8.5488 8.5514 9.0485 9.0493 9.0757 9.0781 10.7027 10.7060 10.7883 10.7971 11.5830 11.5942 11.5986 11.6010 k = 0.1300-0.0000 0.2445 ( 4372 PWs) bands (ev): -2.2535 -2.2534 -2.2533 -2.2533 0.6075 0.6075 0.6078 0.6078 4.1578 4.1580 4.1581 4.1583 6.1419 6.1425 6.1440 6.1473 7.1939 7.1971 7.1998 7.2034 7.8143 7.8228 7.8897 7.8997 8.0858 8.0917 8.1464 8.1521 8.4721 8.4730 8.5163 8.5187 9.0563 9.0570 9.0824 9.0847 10.5888 10.5920 10.6707 10.6778 11.5806 11.5899 11.5904 11.5914 k = 0.1400-0.0000 0.2445 ( 4362 PWs) bands (ev): -2.2151 -2.2151 -2.2149 -2.2149 0.6376 0.6377 0.6380 0.6380 4.1938 4.1942 4.1943 4.1944 6.1692 6.1697 6.1711 6.1746 7.1874 7.1906 7.1943 7.1979 7.7759 7.7841 7.8504 7.8597 8.0800 8.0850 8.1441 8.1496 8.4443 8.4452 8.4838 8.4861 9.0632 9.0639 9.0882 9.0904 10.4734 10.4766 10.5506 10.5564 11.5839 11.5889 11.5916 11.5945 k = 0.1500-0.0000 0.2445 ( 4362 PWs) bands (ev): -2.1740 -2.1740 -2.1738 -2.1738 0.6698 0.6699 0.6703 0.6703 4.2320 4.2327 4.2330 4.2332 6.1975 6.1979 6.1992 6.2030 7.1804 7.1835 7.1884 7.1920 7.7289 7.7367 7.7993 7.8078 8.0761 8.0802 8.1416 8.1468 8.4180 8.4189 8.4520 8.4541 9.0692 9.0698 9.0929 9.0949 10.3601 10.3633 10.4322 10.4369 11.5915 11.5949 11.5995 11.6022 k = 0.1600-0.0000 0.2445 ( 4366 PWs) bands (ev): -2.1301 -2.1301 -2.1299 -2.1299 0.7040 0.7040 0.7045 0.7045 4.2726 4.2732 4.2741 4.2744 6.2263 6.2267 6.2277 6.2317 7.1729 7.1759 7.1819 7.1856 7.6727 7.6800 7.7364 7.7443 8.0736 8.0768 8.1388 8.1436 8.3936 8.3945 8.4213 8.4234 9.0742 9.0747 9.0964 9.0984 10.2517 10.2549 10.3188 10.3226 11.6021 11.6057 11.6120 11.6133 k = 0.1700-0.0000 0.2445 ( 4366 PWs) bands (ev): -2.0835 -2.0835 -2.0833 -2.0833 0.7400 0.7401 0.7406 0.7406 4.3153 4.3160 4.3175 4.3179 6.2552 6.2556 6.2561 6.2605 7.1648 7.1678 7.1749 7.1786 7.6070 7.6137 7.6626 7.6699 8.0720 8.0744 8.1356 8.1401 8.3709 8.3717 8.3924 8.3943 9.0781 9.0786 9.0988 9.1006 10.1501 10.1533 10.2123 10.2155 11.6146 11.6198 11.6268 11.6276 k = 0.1800-0.0000 0.2445 ( 4366 PWs) bands (ev): -2.0342 -2.0342 -2.0339 -2.0339 0.7778 0.7779 0.7786 0.7786 4.3600 4.3607 4.3632 4.3636 6.2835 6.2835 6.2837 6.2882 7.1561 7.1591 7.1673 7.1710 7.5323 7.5384 7.5795 7.5863 8.0705 8.0722 8.1318 8.1358 8.3497 8.3505 8.3654 8.3672 9.0808 9.0812 9.0999 9.1015 10.0566 10.0599 10.1141 10.1167 11.6274 11.6356 11.6414 11.6451 k = 0.1900-0.0000 0.2445 ( 4358 PWs) bands (ev): -1.9822 -1.9822 -1.9819 -1.9819 0.8174 0.8175 0.8183 0.8183 4.4066 4.4074 4.4111 4.4114 6.3087 6.3099 6.3101 6.3138 7.1468 7.1498 7.1586 7.1623 7.4500 7.4556 7.4894 7.4959 8.0688 8.0698 8.1270 8.1307 8.3298 8.3305 8.3406 8.3422 9.0824 9.0827 9.0996 9.1011 9.9719 9.9752 10.0250 10.0271 11.6383 11.6517 11.6551 11.6629 k = 0.2000-0.0000 0.2445 ( 4354 PWs) bands (ev): -1.9276 -1.9275 -1.9273 -1.9272 0.8586 0.8587 0.8596 0.8596 4.4549 4.4557 4.4609 4.4613 6.3299 6.3329 6.3331 6.3354 7.1366 7.1395 7.1481 7.1519 7.3626 7.3677 7.3960 7.4023 8.0660 8.0664 8.1210 8.1242 8.3110 8.3115 8.3178 8.3194 9.0827 9.0829 9.0980 9.0993 9.8962 9.8996 9.9450 9.9467 11.6423 11.6641 11.6650 11.6786 k = 0.2100-0.0000 0.2445 ( 4350 PWs) bands (ev): -1.8703 -1.8702 -1.8700 -1.8699 0.9013 0.9014 0.9025 0.9025 4.5046 4.5054 4.5127 4.5131 6.3444 6.3501 6.3501 6.3503 7.1248 7.1277 7.1337 7.1376 7.2744 7.2790 7.3055 7.3114 8.0614 8.0617 8.1130 8.1159 8.2931 8.2933 8.2971 8.2986 9.0818 9.0818 9.0951 9.0962 9.8294 9.8329 9.8740 9.8754 11.6284 11.6570 11.6689 11.6859 k = 0.2200-0.0000 0.2445 ( 4350 PWs) bands (ev): -1.8105 -1.8104 -1.8101 -1.8101 0.9454 0.9455 0.9468 0.9468 4.5554 4.5563 4.5662 4.5667 6.3480 6.3542 6.3578 6.3579 7.1080 7.1093 7.1107 7.1135 7.1935 7.1978 7.2292 7.2346 8.0542 8.0552 8.1026 8.1052 8.2761 8.2762 8.2786 8.2800 9.0795 9.0796 9.0907 9.0916 9.7711 9.7746 9.8116 9.8126 11.5762 11.6062 11.6449 11.6648 k = 0.2300-0.0000 0.2445 ( 4350 PWs) bands (ev): -1.7480 -1.7480 -1.7476 -1.7476 0.9907 0.9908 0.9923 0.9924 4.6070 4.6079 4.6212 4.6217 6.3354 6.3416 6.3514 6.3515 7.0672 7.0718 7.0726 7.0752 7.1398 7.1437 7.1817 7.1863 8.0440 8.0457 8.0891 8.0914 8.2601 8.2606 8.2623 8.2637 9.0757 9.0760 9.0849 9.0856 9.7206 9.7241 9.7572 9.7578 11.4790 11.5015 11.5644 11.5806 k = 0.2400-0.0000 0.2445 ( 4354 PWs) bands (ev): -1.6831 -1.6831 -1.6827 -1.6827 1.0371 1.0372 1.0390 1.0391 4.6588 4.6598 4.6775 4.6780 6.3008 6.3066 6.3256 6.3259 7.0193 7.0202 7.0227 7.0234 7.1183 7.1219 7.1583 7.1623 8.0301 8.0324 8.0720 8.0742 8.2457 8.2467 8.2484 8.2497 9.0706 9.0711 9.0778 9.0783 9.6771 9.6806 9.7098 9.7102 11.3562 11.3720 11.4403 11.4510 k = 0.2500-0.0000 0.2445 ( 4350 PWs) bands (ev): -1.6158 -1.6157 -1.6153 -1.6153 1.0844 1.0845 1.0866 1.0866 4.7100 4.7110 4.7346 4.7352 6.2408 6.2459 6.2771 6.2777 6.9771 6.9792 6.9841 6.9872 7.1079 7.1113 7.1447 7.1484 8.0119 8.0149 8.0510 8.0531 8.2332 8.2346 8.2368 8.2380 9.0642 9.0648 9.0694 9.0697 9.6399 9.6434 9.6689 9.6690 11.2253 11.2369 11.3033 11.3105 k = 0.2600-0.0000 0.2445 ( 4342 PWs) bands (ev): -1.5460 -1.5460 -1.5455 -1.5455 1.1323 1.1324 1.1349 1.1349 4.7597 4.7607 4.7921 4.7928 6.1572 6.1613 6.2075 6.2082 6.9495 6.9512 6.9668 6.9687 7.1024 7.1059 7.1349 7.1383 7.9894 7.9931 8.0262 8.0283 8.2230 8.2247 8.2273 8.2283 9.0565 9.0572 9.0598 9.0598 9.6082 9.6117 9.6335 9.6335 11.0943 11.1032 11.1664 11.1717 k = 0.2700-0.0000 0.2445 ( 4334 PWs) bands (ev): -1.4740 -1.4739 -1.4734 -1.4734 1.1806 1.1807 1.1836 1.1837 4.8062 4.8073 4.8493 4.8500 6.0557 6.0589 6.1225 6.1234 6.9334 6.9349 6.9641 6.9649 7.1020 7.1055 7.1273 7.1302 7.9628 7.9671 7.9979 8.0001 8.2148 8.2168 8.2195 8.2204 9.0474 9.0482 9.0488 9.0489 9.5813 9.5848 9.6029 9.6031 10.9672 10.9744 11.0343 11.0383 k = 0.2800-0.0000 0.2445 ( 4320 PWs) bands (ev): -1.3997 -1.3996 -1.3991 -1.3990 1.2291 1.2292 1.2325 1.2326 4.8473 4.8484 4.9048 4.9055 5.9435 5.9460 6.0302 6.0312 6.9224 6.9237 6.9702 6.9705 7.1077 7.1113 7.1215 7.1235 7.9330 7.9379 7.9670 7.9693 8.2085 8.2108 8.2132 8.2139 9.0366 9.0369 9.0370 9.0379 9.5583 9.5617 9.5764 9.5768 10.8461 10.8521 10.9092 10.9123 k = 0.2900-0.0000 0.2445 ( 4316 PWs) bands (ev): -1.3232 -1.3231 -1.3225 -1.3225 1.2773 1.2774 1.2813 1.2814 4.8798 4.8809 4.9566 4.9573 5.8278 5.8296 5.9389 5.9399 6.9108 6.9120 6.9795 6.9799 7.1175 7.1180 7.1200 7.1235 7.9013 7.9069 7.9342 7.9367 8.2037 8.2062 8.2079 8.2083 9.0233 9.0238 9.0253 9.0263 9.5388 9.5420 9.5535 9.5540 10.7322 10.7373 10.7919 10.7943 k = 0.3000-0.0000 0.2445 ( 4306 PWs) bands (ev): -1.2447 -1.2446 -1.2440 -1.2440 1.3249 1.3250 1.3295 1.3296 4.8992 4.9003 5.0008 5.0015 5.7160 5.7173 5.8571 5.8579 6.8956 6.8967 6.9874 6.9888 7.1137 7.1156 7.1375 7.1411 7.8696 7.8759 7.9009 7.9036 8.2002 8.2028 8.2033 8.2035 9.0090 9.0096 9.0122 9.0134 9.5220 9.5251 9.5335 9.5342 10.6262 10.6307 10.6830 10.6849 k = 0.3100-0.0000 0.2445 ( 4302 PWs) bands (ev): -1.1643 -1.1642 -1.1635 -1.1635 1.3715 1.3716 1.3768 1.3769 4.9002 4.9011 5.0302 5.0308 5.6181 5.6190 5.7927 5.7934 6.8756 6.8767 6.9905 6.9938 7.1101 7.1150 7.1581 7.1618 7.8401 7.8471 7.8686 7.8716 8.1976 8.1993 8.1994 8.2003 8.9936 8.9945 8.9979 8.9991 9.5075 9.5105 9.5160 9.5168 10.5284 10.5324 10.5827 10.5843 k = 0.3200-0.0000 0.2445 ( 4282 PWs) bands (ev): -1.0821 -1.0820 -1.0812 -1.0812 1.4165 1.4166 1.4226 1.4227 4.8782 4.8790 5.0329 5.0334 5.5479 5.5483 5.7523 5.7528 6.8505 6.8516 6.9872 6.9927 7.1058 7.1142 7.1788 7.1826 7.8154 7.8231 7.8394 7.8426 8.1957 8.1958 8.1961 8.1987 8.9773 8.9783 8.9823 8.9837 9.4949 9.4977 9.5006 9.5015 10.4390 10.4426 10.4912 10.4925 k = 0.3300-0.0000 0.2445 ( 4286 PWs) bands (ev): -0.9983 -0.9981 -0.9973 -0.9973 1.4595 1.4596 1.4665 1.4666 4.8325 4.8331 4.9980 4.9982 5.5175 5.5176 5.7384 5.7386 6.8205 6.8215 6.9765 6.9841 7.0995 7.1111 7.1968 7.2006 7.7977 7.8061 7.8154 7.8188 8.1925 8.1932 8.1948 8.1977 8.9600 8.9612 8.9655 8.9670 9.4837 9.4864 9.4868 9.4877 10.3578 10.3611 10.4081 10.4092 k = 0.3400-0.0000 0.2445 ( 4302 PWs) bands (ev): -0.9130 -0.9129 -0.9119 -0.9119 1.4998 1.4999 1.5077 1.5078 4.7666 4.7671 4.9283 4.9283 5.5250 5.5255 5.7484 5.7485 6.7855 6.7864 6.9580 6.9670 7.0905 7.1043 7.2095 7.2134 7.7888 7.7977 7.7987 7.8022 8.1897 8.1907 8.1943 8.1973 8.9418 8.9432 8.9475 8.9492 9.4736 9.4742 9.4752 9.4761 10.2846 10.2877 10.3333 10.3342 k = 0.3500-0.0000 0.2445 ( 4306 PWs) bands (ev): -0.8265 -0.8264 -0.8253 -0.8253 1.5367 1.5368 1.5457 1.5459 4.6870 4.6872 4.8377 4.8378 5.5575 5.5583 5.7770 5.7772 6.7457 6.7465 6.9309 6.9403 7.0796 7.0944 7.2153 7.2192 7.7892 7.7908 7.7945 7.7984 8.1875 8.1889 8.1947 8.1978 8.9230 8.9246 8.9286 8.9304 9.4627 9.4638 9.4645 9.4668 10.2191 10.2221 10.2664 10.2672 k = 0.3600-0.0000 0.2445 ( 4314 PWs) bands (ev): -0.7391 -0.7390 -0.7378 -0.7378 1.5695 1.5696 1.5797 1.5799 4.5998 4.5999 4.7390 4.7391 5.6033 5.6042 5.8188 5.8193 6.7013 6.7020 6.8948 6.9037 7.0683 7.0828 7.2134 7.2172 7.7923 7.7959 7.7980 7.8071 8.1861 8.1879 8.1961 8.1992 8.9036 8.9054 8.9087 8.9107 9.4519 9.4530 9.4559 9.4581 10.1608 10.1636 10.2069 10.2076 k = 0.3700-0.0000 0.2445 ( 4310 PWs) bands (ev): -0.6511 -0.6510 -0.6496 -0.6496 1.5976 1.5977 1.6091 1.6092 4.5103 4.5103 4.6395 4.6396 5.6553 5.6563 5.8695 5.8701 6.6531 6.6536 6.8506 6.8583 7.0576 7.0711 7.2045 7.2082 7.8020 7.8057 7.8133 7.8221 8.1857 8.1879 8.1987 8.2018 8.8840 8.8859 8.8883 8.8905 9.4417 9.4428 9.4478 9.4498 10.1091 10.1119 10.1543 10.1549 k = 0.3800-0.0000 0.2445 ( 4306 PWs) bands (ev): -0.5629 -0.5627 -0.5612 -0.5612 1.6201 1.6202 1.6330 1.6331 4.4222 4.4223 4.5436 4.5437 5.7094 5.7105 5.9256 5.9263 6.6019 6.6022 6.8000 6.8065 7.0478 7.0600 7.1898 7.1933 7.8180 7.8216 7.8327 7.8410 8.1866 8.1892 8.2027 8.2058 8.8644 8.8665 8.8676 8.8699 9.4317 9.4329 9.4399 9.4418 10.0637 10.0664 10.1080 10.1086 k = 0.3900-0.0000 0.2445 ( 4298 PWs) bands (ev): -0.4748 -0.4747 -0.4730 -0.4730 1.6365 1.6366 1.6508 1.6509 4.3385 4.3386 4.4538 4.4539 5.7630 5.7642 5.9844 5.9851 6.5492 6.5493 6.7459 6.7514 7.0390 7.0498 7.1708 7.1742 7.8377 7.8413 7.8538 7.8615 8.1891 8.1923 8.2084 8.2115 8.8453 8.8468 8.8474 8.8494 9.4220 9.4232 9.4322 9.4339 10.0239 10.0265 10.0675 10.0681 k = 0.4000-0.0000 0.2445 ( 4296 PWs) bands (ev): -0.3876 -0.3875 -0.3856 -0.3856 1.6463 1.6464 1.6619 1.6621 4.2612 4.2612 4.3720 4.3721 5.8141 5.8152 6.0433 6.0439 6.4970 6.4972 6.6913 6.6958 7.0308 7.0404 7.1489 7.1522 7.8586 7.8622 7.8745 7.8816 8.1938 8.1975 8.2161 8.2191 8.8265 8.8270 8.8292 8.8293 9.4123 9.4136 9.4244 9.4259 9.9893 9.9917 10.0324 10.0329 k = 0.4100-0.0000 0.2445 ( 4298 PWs) bands (ev): -0.3020 -0.3018 -0.2996 -0.2996 1.6491 1.6492 1.6663 1.6664 4.1917 4.1917 4.2991 4.2992 5.8606 5.8617 6.0986 6.0990 6.4490 6.4496 6.6390 6.6429 7.0233 7.0318 7.1250 7.1281 7.8785 7.8821 7.8932 7.8995 8.2009 8.2050 8.2258 8.2285 8.8069 8.8098 8.8102 8.8125 9.4027 9.4039 9.4164 9.4179 9.9593 9.9616 10.0020 10.0025 k = 0.4200-0.0000 0.2445 ( 4306 PWs) bands (ev): -0.2187 -0.2185 -0.2160 -0.2160 1.6453 1.6453 1.6638 1.6639 4.1308 4.1308 4.2359 4.2359 5.9007 5.9017 6.1442 6.1443 6.4117 6.4128 6.5921 6.5955 7.0161 7.0237 7.0996 7.1026 7.8958 7.8994 7.9088 7.9143 8.2105 8.2149 8.2372 8.2396 8.7887 8.7918 8.7953 8.7976 9.3930 9.3942 9.4084 9.4097 9.9336 9.9358 9.9760 9.9765 k = 0.4300-0.0000 0.2445 ( 4304 PWs) bands (ev): -0.1388 -0.1387 -0.1357 -0.1357 1.6351 1.6352 1.6549 1.6551 4.0791 4.0791 4.1824 4.1824 5.9325 5.9334 6.1689 6.1692 6.3965 6.3983 6.5531 6.5561 7.0095 7.0162 7.0731 7.0760 7.9098 7.9132 7.9208 7.9254 8.2223 8.2269 8.2497 8.2518 8.7723 8.7754 8.7828 8.7851 9.3835 9.3847 9.4003 9.4016 9.9118 9.9138 9.9540 9.9545 k = 0.4400-0.0000 0.2445 ( 4308 PWs) bands (ev): -0.0637 -0.0635 -0.0602 -0.0602 1.6198 1.6199 1.6408 1.6410 4.0363 4.0363 4.1384 4.1384 5.9547 5.9555 6.1656 6.1662 6.4114 6.4135 6.5240 6.5267 7.0032 7.0092 7.0457 7.0485 7.9201 7.9232 7.9292 7.9331 8.2355 8.2401 8.2624 8.2641 8.7580 8.7611 8.7731 8.7752 9.3743 9.3753 9.3924 9.3934 9.8935 9.8953 9.9357 9.9360 k = 0.4500-0.0000 0.2445 ( 4304 PWs) bands (ev): 0.0052 0.0053 0.0091 0.0091 1.6008 1.6008 1.6229 1.6230 4.0022 4.0022 4.1034 4.1034 5.9673 5.9680 6.1436 6.1441 6.4474 6.4495 6.5054 6.5077 6.9976 7.0027 7.0177 7.0204 7.9271 7.9298 7.9346 7.9378 8.2492 8.2535 8.2744 8.2757 8.7462 8.7491 8.7661 8.7681 9.3656 9.3666 9.3847 9.3857 9.8785 9.8801 9.9206 9.9210 k = 0.4600-0.0000 0.2445 ( 4296 PWs) bands (ev): 0.0659 0.0660 0.0703 0.0703 1.5801 1.5801 1.6031 1.6033 3.9760 3.9760 4.0766 4.0766 5.9717 5.9722 6.1161 6.1165 6.4910 6.4931 6.4962 6.4982 6.9897 6.9921 6.9926 6.9968 7.9314 7.9337 7.9377 7.9401 8.2622 8.2660 8.2848 8.2858 8.7370 8.7396 8.7618 8.7635 9.3579 9.3587 9.3778 9.3786 9.8666 9.8679 9.9087 9.9089 k = 0.4700-0.0000 0.2445 ( 4296 PWs) bands (ev): 0.1164 0.1164 0.1212 0.1212 1.5601 1.5602 1.5840 1.5841 3.9569 3.9569 4.0571 4.0571 5.9705 5.9708 6.0905 6.0909 6.4937 6.4953 6.5341 6.5359 6.9627 6.9649 6.9885 6.9918 7.9339 7.9356 7.9391 7.9408 8.2735 8.2765 8.2932 8.2939 8.7304 8.7325 8.7596 8.7609 9.3513 9.3519 9.3717 9.3724 9.8576 9.8585 9.8996 9.8998 k = 0.4800-0.0000 0.2445 ( 4304 PWs) bands (ev): 0.1545 0.1545 0.1597 0.1597 1.5434 1.5435 1.5679 1.5680 3.9440 3.9440 4.0439 4.0439 5.9669 5.9671 6.0705 6.0707 6.4949 6.4960 6.5711 6.5725 6.9391 6.9407 6.9855 6.9877 7.9351 7.9363 7.9396 7.9407 8.2821 8.2842 8.2992 8.2997 8.7260 8.7276 8.7588 8.7597 9.3462 9.3466 9.3671 9.3675 9.8512 9.8519 9.8932 9.8934 k = 0.4900-0.0000 0.2445 ( 4308 PWs) bands (ev): 0.1783 0.1783 0.1838 0.1838 1.5323 1.5323 1.5572 1.5572 3.9365 3.9365 4.0363 4.0363 5.9636 5.9637 6.0579 6.0580 6.4969 6.4975 6.5969 6.5977 6.9222 6.9231 6.9838 6.9850 7.9357 7.9363 7.9397 7.9403 8.2878 8.2888 8.3028 8.3031 8.7238 8.7246 8.7588 8.7592 9.3431 9.3433 9.3642 9.3644 9.8475 9.8479 9.8894 9.8895 k = 0.5000-0.0000 0.2445 ( 4292 PWs) bands (ev): 0.1864 0.1864 0.1920 0.1920 1.5284 1.5284 1.5535 1.5535 3.9341 3.9341 4.0338 4.0338 5.9623 5.9623 6.0537 6.0537 6.4980 6.4980 6.6066 6.6066 6.9162 6.9162 6.9836 6.9836 7.9361 7.9361 7.9400 7.9400 8.2901 8.2901 8.3041 8.3041 8.7233 8.7233 8.7590 8.7590 9.3422 9.3422 9.3634 9.3634 9.8464 9.8464 9.8882 9.8882 k = 0.5000-0.0000 0.2445 ( 4292 PWs) bands (ev): 0.1864 0.1864 0.1920 0.1920 1.5284 1.5284 1.5535 1.5535 3.9341 3.9341 4.0338 4.0338 5.9623 5.9623 6.0537 6.0537 6.4980 6.4980 6.6066 6.6066 6.9162 6.9162 6.9836 6.9836 7.9361 7.9361 7.9400 7.9400 8.2901 8.2901 8.3041 8.3041 8.7233 8.7233 8.7590 8.7590 9.3422 9.3422 9.3634 9.3634 9.8464 9.8464 9.8882 9.8882 k = 0.5000 0.0102 0.2445 ( 4300 PWs) bands (ev): 0.1868 0.1869 0.1923 0.1925 1.5287 1.5292 1.5537 1.5542 3.9316 3.9339 4.0310 4.0332 5.9523 5.9561 6.0405 6.0426 6.4972 6.5018 6.6099 6.6157 6.9184 6.9202 6.9844 6.9899 7.9362 7.9413 7.9415 7.9457 8.2904 8.2911 8.3037 8.3058 8.7196 8.7250 8.7548 8.7594 9.3424 9.3426 9.3635 9.3636 9.8493 9.8539 9.8909 9.8948 k = 0.5000 0.0203 0.2445 ( 4296 PWs) bands (ev): 0.1880 0.1883 0.1936 0.1939 1.5300 1.5311 1.5551 1.5560 3.9265 3.9310 4.0248 4.0292 5.9268 5.9336 6.0054 6.0089 6.5000 6.5085 6.6243 6.6347 6.9265 6.9304 6.9919 7.0027 7.9414 7.9502 7.9515 7.9586 8.2922 8.2935 8.3046 8.3088 8.7138 8.7246 8.7471 8.7562 9.3432 9.3434 9.3638 9.3641 9.8624 9.8716 9.9027 9.9105 k = 0.5000 0.0305 0.2445 ( 4304 PWs) bands (ev): 0.1901 0.1906 0.1956 0.1961 1.5324 1.5340 1.5574 1.5588 3.9189 3.9254 4.0154 4.0219 5.8871 5.8960 5.9530 5.9570 6.5068 6.5181 6.6463 6.6597 6.9397 6.9463 7.0046 7.0206 7.9513 7.9656 7.9663 7.9779 8.2953 8.2970 8.3068 8.3128 8.7065 8.7230 8.7364 8.7503 9.3444 9.3448 9.3646 9.3650 9.8853 9.8990 9.9234 9.9350 k = 0.5000 0.0406 0.2445 ( 4308 PWs) bands (ev): 0.1931 0.1937 0.1985 0.1992 1.5359 1.5380 1.5607 1.5626 3.9090 3.9176 4.0032 4.0117 5.8353 5.8452 5.8878 5.8916 6.5181 6.5309 6.6723 6.6871 6.9572 6.9671 7.0211 7.0418 7.9653 7.9851 7.9865 8.0026 8.2998 8.3017 8.3101 8.3180 8.6985 8.7209 8.7236 8.7426 9.3462 9.3466 9.3656 9.3661 9.9175 9.9356 9.9527 9.9679 k = 0.5000 0.0508 0.2445 ( 4304 PWs) bands (ev): 0.1969 0.1976 0.2022 0.2031 1.5403 1.5429 1.5649 1.5672 3.8971 3.9077 3.9884 3.9988 5.7732 5.7833 5.8134 5.8167 6.5337 6.5468 6.6997 6.7147 6.9778 6.9915 7.0396 7.0647 7.9826 8.0069 8.0118 8.0313 8.3053 8.3073 8.3145 8.3241 8.6909 8.7098 8.7194 8.7345 9.3483 9.3487 9.3669 9.3676 9.9585 9.9807 9.9900 10.0089 k = 0.5000 0.0609 0.2445 ( 4304 PWs) bands (ev): 0.2014 0.2022 0.2067 0.2077 1.5457 1.5486 1.5700 1.5727 3.8838 3.8960 3.9717 3.9838 5.7030 5.7127 5.7326 5.7352 6.5530 6.5658 6.7271 6.7415 7.0004 7.0181 7.0591 7.0882 8.0019 8.0305 8.0396 8.0623 8.3114 8.3139 8.3197 8.3309 8.6848 8.6965 8.7198 8.7275 9.3507 9.3511 9.3686 9.3694 10.0076 10.0337 10.0350 10.0574 k = 0.5000 0.0711 0.2445 ( 4296 PWs) bands (ev): 0.2067 0.2076 0.2119 0.2130 1.5518 1.5552 1.5759 1.5789 3.8693 3.8832 3.9536 3.9672 5.6263 5.6354 5.6472 5.6492 6.5755 6.5876 6.7539 6.7673 7.0238 7.0456 7.0787 7.1113 8.0220 8.0545 8.0683 8.0939 8.3177 8.3214 8.3253 8.3383 8.6814 8.6852 8.7232 8.7233 9.3532 9.3537 9.3705 9.3715 10.0641 10.0871 10.0939 10.1129 k = 0.5000 0.0812 0.2445 ( 4308 PWs) bands (ev): 0.2127 0.2137 0.2178 0.2190 1.5587 1.5624 1.5825 1.5857 3.8542 3.8694 3.9345 3.9495 5.5448 5.5531 5.5585 5.5602 6.6005 6.6116 6.7799 6.7921 7.0471 7.0730 7.0977 7.1336 8.0417 8.0778 8.0960 8.1242 8.3239 8.3295 8.3309 8.3459 8.6775 8.6822 8.7235 8.7309 9.3559 9.3565 9.3726 9.3737 10.1275 10.1458 10.1609 10.1749 k = 0.5000 0.0914 0.2445 ( 4300 PWs) bands (ev): 0.2193 0.2204 0.2243 0.2256 1.5663 1.5702 1.5896 1.5931 3.8389 3.8554 3.9151 3.9312 5.4597 5.4673 5.4678 5.4692 6.6274 6.6374 6.8051 6.8161 7.0696 7.0994 7.1159 7.1548 8.0600 8.0992 8.1211 8.1515 8.3300 8.3362 8.3377 8.3535 8.6750 8.6881 8.7293 8.7436 9.3587 9.3596 9.3751 9.3763 10.1974 10.2108 10.2341 10.2430 k = 0.5000 0.1015 0.2445 ( 4304 PWs) bands (ev): 0.2264 0.2276 0.2313 0.2327 1.5744 1.5785 1.5971 1.6008 3.8241 3.8416 3.8960 3.9130 5.3721 5.3758 5.3773 5.3791 6.6556 6.6644 6.8294 6.8393 7.0908 7.1243 7.1331 7.1747 8.0758 8.1177 8.1423 8.1744 8.3358 8.3407 8.3458 8.3605 8.6793 8.6999 8.7417 8.7618 9.3616 9.3627 9.3777 9.3790 10.2731 10.2814 10.3130 10.3166 k = 0.5000 0.1117 0.2445 ( 4304 PWs) bands (ev): 0.2341 0.2353 0.2388 0.2402 1.5829 1.5871 1.6050 1.6088 3.8101 3.8284 3.8778 3.8955 5.2831 5.2834 5.2849 5.2894 6.6846 6.6923 6.8529 6.8617 7.1103 7.1474 7.1492 7.1933 8.0887 8.1329 8.1585 8.1922 8.3415 8.3447 8.3534 8.3667 8.6912 8.7181 8.7610 8.7855 9.3646 9.3660 9.3805 9.3820 10.3543 10.3574 10.3955 10.3972 k = 0.5000 0.1218 0.2445 ( 4316 PWs) bands (ev): 0.2421 0.2433 0.2467 0.2481 1.5916 1.5959 1.6131 1.6168 3.7976 3.8165 3.8609 3.8792 5.1913 5.1928 5.1933 5.1992 6.7138 6.7206 6.8754 6.8834 7.1279 7.1640 7.1683 7.2105 8.0985 8.1446 8.1695 8.2046 8.3470 8.3483 8.3605 8.3718 8.7109 8.7424 8.7867 8.8145 9.3677 9.3694 9.3834 9.3850 10.4380 10.4403 10.4789 10.4860 k = 0.5000 0.1320 0.2445 ( 4316 PWs) bands (ev): 0.2504 0.2516 0.2548 0.2563 1.6005 1.6048 1.6212 1.6249 3.7871 3.8063 3.8461 3.8646 5.0998 5.1013 5.1034 5.1091 6.7430 6.7488 6.8970 6.9044 7.1434 7.1774 7.1870 7.2263 8.1054 8.1531 8.1754 8.2121 8.3520 8.3522 8.3670 8.3760 8.7376 8.7722 8.8181 8.8479 9.3708 9.3728 9.3864 9.3882 10.5228 10.5306 10.5664 10.5789 k = 0.5000 0.1421 0.2445 ( 4324 PWs) bands (ev): 0.2589 0.2601 0.2631 0.2646 1.6094 1.6136 1.6292 1.6328 3.7790 3.7983 3.8337 3.8522 5.0094 5.0110 5.0140 5.0196 6.7717 6.7767 6.9176 6.9245 7.1567 7.1894 7.2033 7.2405 8.1100 8.1589 8.1771 8.2156 8.3555 8.3571 8.3728 8.3796 8.7701 8.8067 8.8539 8.8852 9.3739 9.3762 9.3895 9.3914 10.6110 10.6243 10.6573 10.6751 k = 0.5000 0.1523 0.2445 ( 4324 PWs) bands (ev): 0.2674 0.2686 0.2714 0.2729 1.6181 1.6221 1.6369 1.6403 3.7737 3.7929 3.8242 3.8426 4.9206 4.9223 4.9256 4.9313 6.7997 6.8040 6.9372 6.9437 7.1677 7.1999 7.2174 7.2531 8.1129 8.1627 8.1757 8.2159 8.3590 8.3615 8.3780 8.3827 8.8070 8.8447 8.8930 8.9253 9.3770 9.3797 9.3926 9.3947 10.7015 10.7206 10.7507 10.7739 k = 0.5000 0.1624 0.2445 ( 4324 PWs) bands (ev): 0.2760 0.2771 0.2797 0.2811 1.6266 1.6304 1.6443 1.6475 3.7717 3.7906 3.8181 3.8361 4.8337 4.8355 4.8387 4.8446 6.8268 6.8305 6.9557 6.9619 7.1765 7.2087 7.2291 7.2640 8.1147 8.1651 8.1721 8.2141 8.3621 8.3652 8.3825 8.3855 8.8470 8.8853 8.9344 8.9673 9.3802 9.3831 9.3957 9.3979 10.7932 10.8179 10.8456 10.8740 k = 0.5000 0.1726 0.2445 ( 4324 PWs) bands (ev): 0.2843 0.2855 0.2879 0.2892 1.6348 1.6382 1.6513 1.6541 3.7733 3.7917 3.8157 3.8331 4.7489 4.7512 4.7536 4.7599 6.8530 6.8561 6.9730 6.9791 7.1831 7.2158 7.2387 7.2731 8.1159 8.1667 8.1675 8.2110 8.3647 8.3681 8.3862 8.3878 8.8888 8.9273 8.9771 9.0104 9.3832 9.3864 9.3988 9.4011 10.8841 10.9146 10.9403 10.9738 k = 0.5000 0.1827 0.2445 ( 4320 PWs) bands (ev): 0.2924 0.2935 0.2957 0.2970 1.6424 1.6455 1.6576 1.6601 3.7788 3.7964 3.8174 3.8340 4.6666 4.6695 4.6707 4.6776 6.8781 6.8807 6.9890 6.9951 7.1877 7.2212 7.2462 7.2803 8.1170 8.1625 8.1679 8.2073 8.3666 8.3701 8.3891 8.3897 8.9314 8.9698 9.0201 9.0534 9.3863 9.3897 9.4017 9.4042 10.9718 11.0077 11.0328 11.0711 k = 0.5000 0.1929 0.2445 ( 4316 PWs) bands (ev): 0.3001 0.3011 0.3031 0.3043 1.6495 1.6523 1.6633 1.6655 3.7884 3.8052 3.8232 3.8388 4.5871 4.5905 4.5908 4.5980 6.9020 6.9041 7.0035 7.0098 7.1906 7.2247 7.2520 7.2857 8.1182 8.1577 8.1691 8.2035 8.3679 8.3713 8.3911 8.3913 8.9739 9.0117 9.0624 9.0954 9.3895 9.3929 9.4046 9.4073 11.0528 11.0932 11.1198 11.1622 k = 0.5000 0.2030 0.2445 ( 4304 PWs) bands (ev): 0.3073 0.3082 0.3099 0.3111 1.6560 1.6583 1.6683 1.6701 3.8024 3.8180 3.8335 3.8479 4.5108 4.5131 4.5156 4.5215 6.9246 6.9262 7.0162 7.0229 7.1921 7.2265 7.2563 7.2891 8.1198 8.1534 8.1703 8.2000 8.3686 8.3718 8.3920 8.3927 9.0153 9.0518 9.1032 9.1352 9.3928 9.3960 9.4073 9.4102 11.1222 11.1652 11.1965 11.2413 k = 0.5000 0.2132 0.2445 ( 4300 PWs) bands (ev): 0.3138 0.3147 0.3161 0.3172 1.6618 1.6637 1.6725 1.6739 3.8206 3.8349 3.8482 3.8611 4.4380 4.4392 4.4440 4.4487 6.9460 6.9470 7.0269 7.0342 7.1926 7.2265 7.2595 7.2908 8.1217 8.1497 8.1719 8.1967 8.3686 8.3716 8.3925 8.3934 9.0546 9.0891 9.1415 9.1719 9.3962 9.3991 9.4097 9.4131 11.1751 11.2175 11.2566 11.3007 k = 0.5000 0.2233 0.2445 ( 4308 PWs) bands (ev): 0.3196 0.3204 0.3215 0.3225 1.6669 1.6684 1.6760 1.6770 3.8431 3.8558 3.8672 3.8785 4.3691 4.3692 4.3767 4.3799 6.9657 6.9664 7.0352 7.0431 7.1926 7.2250 7.2621 7.2909 8.1238 8.1465 8.1735 8.1939 8.3683 8.3709 8.3926 8.3937 9.0909 9.1224 9.1763 9.2041 9.3998 9.4023 9.4118 9.4158 11.2091 11.2470 11.2956 11.3347 k = 0.5000 0.2335 0.2445 ( 4312 PWs) bands (ev): 0.3244 0.3252 0.3260 0.3270 1.6713 1.6724 1.6786 1.6793 3.8695 3.8803 3.8902 3.8995 4.3034 4.3049 4.3143 4.3159 6.9835 6.9847 7.0408 7.0493 7.1928 7.2222 7.2644 7.2895 8.1262 8.1439 8.1754 8.1914 8.3677 8.3700 8.3925 8.3935 9.1231 9.1505 9.2067 9.2308 9.4034 9.4058 9.4134 9.4183 11.2261 11.2571 11.3143 11.3456 k = 0.5000 0.2436 0.2445 ( 4316 PWs) bands (ev): 0.3284 0.3292 0.3296 0.3305 1.6749 1.6756 1.6804 1.6809 3.8992 3.9076 3.9163 3.9233 4.2433 4.2461 4.2578 4.2579 6.9994 7.0015 7.0436 7.0522 7.1938 7.2183 7.2668 7.2871 8.1287 8.1417 8.1774 8.1893 8.3671 8.3689 8.3923 8.3931 9.1504 9.1725 9.2318 9.2511 9.4066 9.4099 9.4145 9.4204 11.2320 11.2552 11.3194 11.3425 k = 0.5000 0.2538 0.2445 ( 4312 PWs) bands (ev): 0.3313 0.3321 0.3321 0.3330 1.6777 1.6782 1.6814 1.6817 3.9304 3.9358 3.9434 3.9477 4.1910 4.1948 4.2083 4.2094 7.0132 7.0166 7.0433 7.0516 7.1960 7.2137 7.2696 7.2839 8.1312 8.1397 8.1795 8.1873 8.3667 8.3679 8.3921 8.3928 9.1719 9.1875 9.2511 9.2645 9.4094 9.4143 9.4149 9.4218 11.2328 11.2482 11.3188 11.3340 k = 0.5000 0.2639 0.2445 ( 4320 PWs) bands (ev): 0.3332 0.3336 0.3339 0.3344 1.6798 1.6801 1.6816 1.6819 3.9588 3.9605 3.9659 3.9680 4.1520 4.1552 4.1723 4.1736 7.0247 7.0295 7.0400 7.0474 7.1994 7.2087 7.2728 7.2802 8.1335 8.1377 8.1815 8.1853 8.3665 8.3671 8.3920 8.3924 9.1869 9.1949 9.2642 9.2711 9.4117 9.4146 9.4182 9.4220 11.2330 11.2407 11.3179 11.3254 k = 0.5000 0.2741 0.2445 ( 4320 PWs) bands (ev): 0.3340 0.3340 0.3347 0.3347 1.6811 1.6811 1.6814 1.6814 3.9729 3.9729 3.9745 3.9745 4.1376 4.1376 4.1589 4.1589 7.0337 7.0337 7.0399 7.0399 7.2038 7.2038 7.2764 7.2764 8.1357 8.1357 8.1834 8.1834 8.3666 8.3666 8.3921 8.3921 9.1947 9.1947 9.2709 9.2709 9.4135 9.4135 9.4209 9.4209 11.2354 11.2354 11.3198 11.3198 k = 0.5000 0.2741 0.2445 ( 4320 PWs) bands (ev): 0.3340 0.3340 0.3347 0.3347 1.6811 1.6811 1.6814 1.6814 3.9729 3.9729 3.9745 3.9745 4.1376 4.1376 4.1589 4.1589 7.0337 7.0337 7.0399 7.0399 7.2038 7.2038 7.2764 7.2764 8.1357 8.1357 8.1834 8.1834 8.3666 8.3666 8.3921 8.3921 9.1947 9.1947 9.2709 9.2709 9.4135 9.4135 9.4209 9.4209 11.2354 11.2354 11.3198 11.3198 k = 0.4900 0.2741 0.2445 ( 4312 PWs) bands (ev): 0.3296 0.3296 0.3303 0.3303 1.6737 1.6737 1.6739 1.6739 3.9794 3.9794 3.9808 3.9808 4.1468 4.1468 4.1681 4.1681 7.0344 7.0344 7.0406 7.0406 7.2022 7.2022 7.2747 7.2747 8.1355 8.1355 8.1832 8.1832 8.3662 8.3662 8.3917 8.3917 9.1928 9.1928 9.2691 9.2691 9.4131 9.4131 9.4203 9.4203 11.2291 11.2291 11.3121 11.3121 k = 0.4800 0.2741 0.2445 ( 4308 PWs) bands (ev): 0.3165 0.3165 0.3172 0.3172 1.6519 1.6519 1.6521 1.6521 3.9984 3.9984 3.9999 3.9999 4.1741 4.1741 4.1953 4.1953 7.0364 7.0364 7.0427 7.0427 7.1976 7.1976 7.2694 7.2694 8.1349 8.1349 8.1826 8.1826 8.3650 8.3650 8.3902 8.3902 9.1872 9.1872 9.2637 9.2637 9.4119 9.4119 9.4188 9.4188 11.2110 11.2110 11.2903 11.2903 k = 0.4700 0.2741 0.2445 ( 4312 PWs) bands (ev): 0.2950 0.2950 0.2957 0.2957 1.6167 1.6167 1.6168 1.6168 4.0298 4.0298 4.0313 4.0313 4.2183 4.2183 4.2395 4.2395 7.0397 7.0397 7.0460 7.0460 7.1901 7.1901 7.2609 7.2609 8.1339 8.1339 8.1814 8.1814 8.3629 8.3629 8.3878 8.3878 9.1780 9.1780 9.2548 9.2548 9.4099 9.4099 9.4162 9.4162 11.1833 11.1833 11.2577 11.2577 k = 0.4600 0.2741 0.2445 ( 4308 PWs) bands (ev): 0.2656 0.2656 0.2664 0.2664 1.5693 1.5693 1.5696 1.5696 4.0730 4.0730 4.0744 4.0744 4.2779 4.2779 4.2991 4.2991 7.0441 7.0441 7.0506 7.0506 7.1803 7.1803 7.2493 7.2493 8.1325 8.1325 8.1798 8.1798 8.3601 8.3601 8.3844 8.3844 9.1654 9.1654 9.2424 9.2424 9.4072 9.4072 9.4129 9.4129 11.1488 11.1488 11.2179 11.2179 k = 0.4500 0.2741 0.2445 ( 4304 PWs) bands (ev): 0.2290 0.2290 0.2297 0.2297 1.5117 1.5117 1.5121 1.5121 4.1271 4.1271 4.1285 4.1285 4.3510 4.3510 4.3723 4.3723 7.0491 7.0491 7.0561 7.0561 7.1688 7.1688 7.2352 7.2352 8.1305 8.1305 8.1776 8.1776 8.3563 8.3563 8.3800 8.3800 9.1497 9.1497 9.2269 9.2269 9.4041 9.4041 9.4091 9.4091 11.1100 11.1100 11.1739 11.1739 k = 0.4400 0.2741 0.2445 ( 4304 PWs) bands (ev): 0.1859 0.1859 0.1865 0.1865 1.4455 1.4455 1.4462 1.4462 4.1914 4.1914 4.1927 4.1927 4.4358 4.4358 4.4570 4.4570 7.0537 7.0537 7.0625 7.0625 7.1569 7.1569 7.2191 7.2191 8.1280 8.1280 8.1748 8.1748 8.3515 8.3515 8.3746 8.3746 9.1314 9.1314 9.2085 9.2085 9.4006 9.4006 9.4051 9.4051 11.0689 11.0689 11.1281 11.1281 k = 0.4300 0.2741 0.2445 ( 4300 PWs) bands (ev): 0.1369 0.1369 0.1375 0.1375 1.3725 1.3725 1.3733 1.3733 4.2648 4.2648 4.2661 4.2661 4.5301 4.5301 4.5514 4.5514 7.0558 7.0558 7.0691 7.0691 7.1471 7.1471 7.2023 7.2023 8.1250 8.1250 8.1713 8.1713 8.3458 8.3458 8.3681 8.3681 9.1108 9.1108 9.1877 9.1877 9.3969 9.3969 9.4012 9.4012 11.0270 11.0270 11.0820 11.0820 k = 0.4200 0.2741 0.2445 ( 4304 PWs) bands (ev): 0.0830 0.0830 0.0835 0.0835 1.2941 1.2941 1.2951 1.2951 4.3464 4.3464 4.3477 4.3477 4.6320 4.6320 4.6534 4.6534 7.0525 7.0525 7.0748 7.0748 7.1426 7.1426 7.1866 7.1866 8.1213 8.1213 8.1670 8.1670 8.3391 8.3391 8.3605 8.3605 9.0884 9.0884 9.1648 9.1648 9.3932 9.3932 9.3975 9.3975 10.9854 10.9854 11.0366 11.0366 k = 0.4100 0.2741 0.2445 ( 4308 PWs) bands (ev): 0.0248 0.0248 0.0253 0.0253 1.2117 1.2117 1.2129 1.2129 4.4352 4.4352 4.4364 4.4364 4.7399 4.7399 4.7614 4.7614 7.0422 7.0422 7.0769 7.0769 7.1456 7.1456 7.1755 7.1755 8.1169 8.1169 8.1618 8.1618 8.3313 8.3313 8.3518 8.3518 9.0649 9.0649 9.1405 9.1405 9.3899 9.3899 9.3944 9.3944 10.9449 10.9449 10.9927 10.9927 k = 0.4000 0.2741 0.2445 ( 4320 PWs) bands (ev): -0.0369 -0.0369 -0.0363 -0.0363 1.1264 1.1264 1.1278 1.1278 4.5300 4.5300 4.5312 4.5312 4.8519 4.8519 4.8735 4.8735 7.0265 7.0265 7.0719 7.0719 7.1554 7.1554 7.1732 7.1732 8.1117 8.1117 8.1557 8.1557 8.3223 8.3223 8.3420 8.3420 9.0407 9.0407 9.1152 9.1152 9.3872 9.3872 9.3920 9.3920 10.9060 10.9060 10.9506 10.9506 k = 0.3900 0.2741 0.2445 ( 4324 PWs) bands (ev): -0.1013 -0.1013 -0.1008 -0.1008 1.0392 1.0392 1.0406 1.0406 4.6300 4.6300 4.6311 4.6311 4.9663 4.9663 4.9881 4.9881 7.0080 7.0080 7.0594 7.0594 7.1701 7.1701 7.1810 7.1810 8.1059 8.1059 8.1486 8.1486 8.3124 8.3124 8.3311 8.3311 9.0165 9.0165 9.0896 9.0896 9.3855 9.3855 9.3907 9.3907 10.8690 10.8690 10.9108 10.9108 k = 0.3800 0.2741 0.2445 ( 4328 PWs) bands (ev): -0.1679 -0.1679 -0.1675 -0.1675 0.9507 0.9507 0.9523 0.9523 4.7339 4.7339 4.7351 4.7351 5.0816 5.0816 5.1033 5.1033 6.9891 6.9891 7.0426 7.0426 7.1885 7.1885 7.1968 7.1968 8.0992 8.0992 8.1405 8.1405 8.3014 8.3014 8.3192 8.3192 8.9926 8.9926 9.0641 9.0641 9.3852 9.3852 9.3909 9.3909 10.8341 10.8341 10.8733 10.8733 k = 0.3700 0.2741 0.2445 ( 4328 PWs) bands (ev): -0.2362 -0.2362 -0.2358 -0.2358 0.8617 0.8617 0.8633 0.8633 4.8408 4.8408 4.8420 4.8420 5.1957 5.1957 5.2174 5.2174 6.9716 6.9716 7.0252 7.0252 7.2102 7.2102 7.2179 7.2179 8.0919 8.0919 8.1315 8.1315 8.2893 8.2893 8.3062 8.3062 8.9699 8.9699 9.0394 9.0394 9.3865 9.3865 9.3928 9.3928 10.8015 10.8015 10.8382 10.8382 k = 0.3600 0.2741 0.2445 ( 4332 PWs) bands (ev): -0.3055 -0.3055 -0.3051 -0.3051 0.7727 0.7727 0.7744 0.7744 4.9497 4.9497 4.9508 4.9508 5.3069 5.3069 5.3282 5.3282 6.9572 6.9572 7.0096 7.0096 7.2351 7.2351 7.2430 7.2430 8.0841 8.0841 8.1217 8.1217 8.2763 8.2763 8.2923 8.2923 8.9485 8.9485 9.0159 9.0159 9.3901 9.3901 9.3970 9.3970 10.7713 10.7713 10.8057 10.8057 k = 0.3500 0.2741 0.2445 ( 4332 PWs) bands (ev): -0.3756 -0.3756 -0.3752 -0.3752 0.6841 0.6841 0.6858 0.6858 5.0593 5.0593 5.0605 5.0605 5.4129 5.4129 5.4335 5.4335 6.9480 6.9480 6.9982 6.9982 7.2630 7.2630 7.2713 7.2713 8.0759 8.0759 8.1113 8.1113 8.2623 8.2623 8.2775 8.2775 8.9290 8.9290 8.9940 8.9940 9.3962 9.3962 9.4038 9.4038 10.7434 10.7434 10.7757 10.7757 k = 0.3400 0.2741 0.2445 ( 4332 PWs) bands (ev): -0.4459 -0.4459 -0.4455 -0.4455 0.5963 0.5963 0.5980 0.5980 5.1687 5.1687 5.1700 5.1700 5.5115 5.5115 5.5309 5.5309 6.9456 6.9456 6.9929 6.9929 7.2937 7.2937 7.3025 7.3025 8.0677 8.0677 8.1006 8.1006 8.2475 8.2475 8.2620 8.2620 8.9116 8.9116 8.9741 8.9741 9.4055 9.4055 9.4138 9.4138 10.7181 10.7181 10.7483 10.7483 k = 0.3300 0.2741 0.2445 ( 4332 PWs) bands (ev): -0.5161 -0.5161 -0.5157 -0.5157 0.5096 0.5096 0.5113 0.5113 5.2767 5.2767 5.2782 5.2782 5.6002 5.6002 5.6178 5.6178 6.9522 6.9522 6.9957 6.9957 7.3269 7.3269 7.3363 7.3363 8.0601 8.0601 8.0902 8.0902 8.2321 8.2321 8.2458 8.2458 8.8967 8.8967 8.9565 8.9565 9.4185 9.4185 9.4275 9.4275 10.6952 10.6952 10.7235 10.7235 k = 0.3200 0.2741 0.2445 ( 4340 PWs) bands (ev): -0.5859 -0.5859 -0.5856 -0.5856 0.4243 0.4243 0.4260 0.4260 5.3821 5.3821 5.3838 5.3838 5.6768 5.6768 5.6920 5.6920 6.9693 6.9693 7.0084 7.0084 7.3622 7.3622 7.3723 7.3723 8.0536 8.0536 8.0809 8.0809 8.2162 8.2162 8.2291 8.2291 8.8843 8.8843 8.9413 8.9413 9.4358 9.4358 9.4455 9.4455 10.6749 10.6749 10.7013 10.7013 k = 0.3100 0.2741 0.2445 ( 4328 PWs) bands (ev): -0.6550 -0.6550 -0.6547 -0.6547 0.3405 0.3405 0.3422 0.3422 5.4837 5.4837 5.4856 5.4856 5.7397 5.7397 5.7519 5.7519 6.9980 6.9980 7.0319 7.0319 7.3991 7.3991 7.4098 7.4098 8.0491 8.0491 8.0734 8.0734 8.2000 8.2000 8.2123 8.2123 8.8745 8.8745 8.9287 8.9287 9.4581 9.4581 9.4685 9.4685 10.6572 10.6572 10.6818 10.6818 k = 0.3000 0.2741 0.2445 ( 4332 PWs) bands (ev): -0.7233 -0.7233 -0.7230 -0.7230 0.2585 0.2585 0.2602 0.2602 5.5800 5.5800 5.5821 5.5821 5.7885 5.7885 5.7973 5.7973 7.0381 7.0381 7.0665 7.0665 7.4365 7.4365 7.4479 7.4479 8.0476 8.0476 8.0689 8.0689 8.1840 8.1840 8.1955 8.1955 8.8672 8.8672 8.9188 8.9188 9.4859 9.4859 9.4971 9.4971 10.6423 10.6423 10.6652 10.6652 k = 0.2900 0.2741 0.2445 ( 4336 PWs) bands (ev): -0.7905 -0.7905 -0.7902 -0.7902 0.1784 0.1784 0.1801 0.1801 5.6685 5.6685 5.6709 5.6709 5.8249 5.8249 5.8301 5.8301 7.0884 7.0884 7.1111 7.1111 7.4732 7.4732 7.4854 7.4854 8.0500 8.0500 8.0684 8.0684 8.1689 8.1689 8.1794 8.1794 8.8623 8.8623 8.9114 8.9114 9.5199 9.5199 9.5317 9.5317 10.6305 10.6305 10.6516 10.6516 k = 0.2800 0.2741 0.2445 ( 4340 PWs) bands (ev): -0.8563 -0.8563 -0.8561 -0.8561 0.1003 0.1003 0.1020 0.1020 5.7435 5.7435 5.7462 5.7462 5.8548 5.8548 5.8569 5.8569 7.1462 7.1462 7.1636 7.1636 7.5078 7.5078 7.5205 7.5205 8.0568 8.0568 8.0725 8.0725 8.1561 8.1561 8.1651 8.1651 8.8597 8.8597 8.9064 8.9064 9.5605 9.5605 9.5728 9.5728 10.6221 10.6221 10.6415 10.6415 k = 0.2700 0.2741 0.2445 ( 4344 PWs) bands (ev): -0.9207 -0.9207 -0.9205 -0.9205 0.0244 0.0244 0.0261 0.0261 5.7902 5.7902 5.7935 5.7935 5.8934 5.8934 5.8948 5.8948 7.2085 7.2085 7.2213 7.2213 7.5387 7.5387 7.5517 7.5517 8.0667 8.0667 8.0797 8.0797 8.1486 8.1486 8.1554 8.1554 8.8591 8.8591 8.9039 8.9039 9.6081 9.6081 9.6207 9.6207 10.6177 10.6177 10.6354 10.6354 k = 0.2600 0.2741 0.2445 ( 4336 PWs) bands (ev): -0.9836 -0.9836 -0.9833 -0.9833 -0.0492 -0.0492 -0.0476 -0.0476 5.8021 5.8021 5.8068 5.8068 5.9490 5.9490 5.9515 5.9515 7.2722 7.2722 7.2809 7.2809 7.5651 7.5651 7.5779 7.5779 8.0734 8.0734 8.0849 8.0849 8.1516 8.1516 8.1585 8.1585 8.8604 8.8604 8.9033 8.9033 9.6625 9.6625 9.6752 9.6752 10.6182 10.6182 10.6340 10.6340 k = 0.2500 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.0447 -1.0447 -1.0445 -1.0445 -0.1205 -0.1205 -0.1189 -0.1189 5.7948 5.7948 5.8011 5.8011 6.0091 6.0091 6.0122 6.0122 7.3340 7.3340 7.3396 7.3396 7.5863 7.5863 7.5985 7.5985 8.0709 8.0709 8.0830 8.0830 8.1702 8.1702 8.1806 8.1806 8.8630 8.8630 8.9045 8.9045 9.7231 9.7231 9.7355 9.7355 10.6247 10.6247 10.6385 10.6385 k = 0.2400 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.1039 -1.1039 -1.1038 -1.1038 -0.1893 -0.1893 -0.1878 -0.1878 5.7783 5.7783 5.7859 5.7859 6.0660 6.0660 6.0695 6.0695 7.3916 7.3916 7.3950 7.3950 7.6029 7.6029 7.6140 7.6140 8.0625 8.0625 8.0752 8.0752 8.2034 8.2034 8.2160 8.2160 8.8666 8.8666 8.9071 8.9071 9.7886 9.7886 9.8002 9.8002 10.6389 10.6389 10.6506 10.6506 k = 0.2300 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.1613 -1.1613 -1.1611 -1.1611 -0.2557 -0.2557 -0.2543 -0.2543 5.7562 5.7562 5.7648 5.7648 6.1172 6.1172 6.1211 6.1211 7.4428 7.4428 7.4452 7.4452 7.6159 7.6159 7.6257 7.6257 8.0528 8.0528 8.0657 8.0657 8.2447 8.2447 8.2588 8.2588 8.8707 8.8707 8.9105 8.9105 9.8566 9.8566 9.8669 9.8669 10.6634 10.6634 10.6726 10.6726 k = 0.2200 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.2167 -1.2167 -1.2165 -1.2165 -0.3195 -0.3195 -0.3181 -0.3181 5.7306 5.7306 5.7399 5.7399 6.1624 6.1624 6.1666 6.1666 7.4862 7.4862 7.4887 7.4887 7.6265 7.6265 7.6348 7.6348 8.0438 8.0438 8.0567 8.0567 8.2895 8.2895 8.3050 8.3050 8.8748 8.8748 8.9141 8.9141 9.9241 9.9241 9.9325 9.9325 10.7008 10.7008 10.7073 10.7073 k = 0.2100 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.2699 -1.2699 -1.2698 -1.2698 -0.3807 -0.3807 -0.3794 -0.3794 5.7028 5.7028 5.7124 5.7124 6.2016 6.2016 6.2059 6.2059 7.5218 7.5218 7.5247 7.5247 7.6359 7.6359 7.6426 7.6426 8.0363 8.0363 8.0493 8.0493 8.3346 8.3346 8.3518 8.3518 8.8782 8.8782 8.9174 8.9174 9.9873 9.9873 9.9934 9.9934 10.7542 10.7542 10.7581 10.7581 k = 0.2000 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.3210 -1.3210 -1.3209 -1.3209 -0.4393 -0.4393 -0.4381 -0.4381 5.6736 5.6736 5.6834 5.6834 6.2349 6.2349 6.2395 6.2395 7.5500 7.5500 7.5531 7.5531 7.6443 7.6443 7.6498 7.6498 8.0309 8.0309 8.0439 8.0439 8.3777 8.3777 8.3966 8.3966 8.8803 8.8803 8.9196 8.9196 10.0427 10.0427 10.0464 10.0464 10.8258 10.8258 10.8278 10.8278 k = 0.1900 0.2741 0.2445 ( 4352 PWs) bands (ev): -1.3699 -1.3699 -1.3698 -1.3698 -0.4953 -0.4953 -0.4940 -0.4940 5.6436 5.6436 5.6535 5.6535 6.2629 6.2629 6.2675 6.2675 7.5718 7.5718 7.5749 7.5749 7.6518 7.6518 7.6564 7.6564 8.0277 8.0277 8.0406 8.0406 8.4169 8.4169 8.4378 8.4378 8.8804 8.8804 8.9201 8.9201 10.0879 10.0879 10.0896 10.0896 10.9156 10.9156 10.9181 10.9181 k = 0.1800 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.4166 -1.4166 -1.4164 -1.4164 -0.5484 -0.5484 -0.5473 -0.5473 5.6136 5.6136 5.6233 5.6233 6.2859 6.2859 6.2906 6.2906 7.5888 7.5888 7.5918 7.5918 7.6583 7.6583 7.6624 7.6624 8.0266 8.0266 8.0392 8.0392 8.4511 8.4511 8.4742 8.4742 8.8783 8.8783 8.9184 8.9184 10.1224 10.1224 10.1238 10.1238 11.0233 11.0233 11.0272 11.0272 k = 0.1700 0.2741 0.2445 ( 4352 PWs) bands (ev): -1.4609 -1.4609 -1.4608 -1.4608 -0.5989 -0.5989 -0.5978 -0.5978 5.5838 5.5838 5.5932 5.5932 6.3044 6.3044 6.3091 6.3091 7.6020 7.6020 7.6048 7.6048 7.6640 7.6640 7.6679 7.6679 8.0271 8.0271 8.0394 8.0394 8.4797 8.4797 8.5049 8.5049 8.8739 8.8739 8.9145 8.9145 10.1474 10.1474 10.1498 10.1498 11.1470 11.1470 11.1518 11.1518 k = 0.1600 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.5028 -1.5028 -1.5027 -1.5027 -0.6466 -0.6466 -0.6455 -0.6455 5.5546 5.5546 5.5637 5.5637 6.3190 6.3190 6.3236 6.3236 7.6114 7.6114 7.6141 7.6141 7.6704 7.6704 7.6743 7.6743 8.0289 8.0289 8.0408 8.0408 8.5021 8.5021 8.5295 8.5295 8.8674 8.8674 8.9084 8.9084 10.1655 10.1655 10.1687 10.1687 11.2836 11.2836 11.2886 11.2886 k = 0.1500 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.5424 -1.5424 -1.5423 -1.5423 -0.6915 -0.6915 -0.6905 -0.6905 5.5262 5.5262 5.5350 5.5350 6.3300 6.3300 6.3346 6.3346 7.6165 7.6165 7.6190 7.6190 7.6793 7.6793 7.6833 7.6833 8.0314 8.0314 8.0427 8.0427 8.5180 8.5180 8.5473 8.5473 8.8594 8.8594 8.9006 8.9006 10.1784 10.1784 10.1820 10.1820 11.4296 11.4296 11.4341 11.4341 k = 0.1400 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.5796 -1.5796 -1.5795 -1.5795 -0.7336 -0.7336 -0.7326 -0.7326 5.4990 5.4990 5.5073 5.5073 6.3381 6.3381 6.3425 6.3425 7.6171 7.6171 7.6191 7.6191 7.6921 7.6921 7.6961 7.6961 8.0343 8.0343 8.0450 8.0450 8.5272 8.5272 8.5579 8.5579 8.8510 8.8510 8.8919 8.8919 10.1875 10.1875 10.1914 10.1914 11.5814 11.5814 11.5852 11.5852 k = 0.1300 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.6142 -1.6142 -1.6142 -1.6142 -0.7728 -0.7728 -0.7719 -0.7719 5.4730 5.4730 5.4809 5.4809 6.3436 6.3436 6.3478 6.3478 7.6141 7.6141 7.6157 7.6157 7.7085 7.7085 7.7127 7.7127 8.0374 8.0374 8.0473 8.0473 8.5296 8.5296 8.5610 8.5610 8.8432 8.8432 8.8832 8.8832 10.1939 10.1939 10.1978 10.1978 11.7355 11.7355 11.7381 11.7381 k = 0.1200 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.6465 -1.6465 -1.6464 -1.6464 -0.8092 -0.8092 -0.8084 -0.8084 5.4486 5.4486 5.4559 5.4559 6.3470 6.3470 6.3510 6.3510 7.6087 7.6087 7.6100 7.6100 7.7280 7.7280 7.7324 7.7324 8.0403 8.0403 8.0495 8.0495 8.5253 8.5253 8.5562 8.5562 8.8372 8.8372 8.8752 8.8752 10.1983 10.1983 10.2021 10.2021 11.8867 11.8867 11.8888 11.8888 k = 0.1100 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.6762 -1.6762 -1.6761 -1.6761 -0.8427 -0.8427 -0.8420 -0.8420 5.4256 5.4256 5.4324 5.4324 6.3488 6.3488 6.3525 6.3525 7.6019 7.6019 7.6030 7.6030 7.7500 7.7500 7.7548 7.7548 8.0431 8.0431 8.0515 8.0515 8.5143 8.5143 8.5439 8.5439 8.8335 8.8335 8.8687 8.8687 10.2012 10.2012 10.2048 10.2048 12.0275 12.0275 12.0313 12.0313 k = 0.1000 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.7034 -1.7034 -1.7033 -1.7033 -0.8734 -0.8734 -0.8727 -0.8727 5.4044 5.4044 5.4106 5.4106 6.3492 6.3492 6.3526 6.3526 7.5945 7.5945 7.5954 7.5954 7.7741 7.7741 7.7793 7.7793 8.0456 8.0456 8.0532 8.0532 8.4974 8.4974 8.5248 8.5248 8.8322 8.8322 8.8638 8.8638 10.2031 10.2031 10.2065 10.2065 12.1487 12.1487 12.1550 12.1550 k = 0.0900 0.2741 0.2445 ( 4344 PWs) bands (ev): -1.7280 -1.7280 -1.7279 -1.7279 -0.9011 -0.9011 -0.9005 -0.9005 5.3850 5.3850 5.3906 5.3906 6.3486 6.3486 6.3517 6.3517 7.5868 7.5868 7.5876 7.5876 7.8000 7.8000 7.8056 7.8056 8.0479 8.0479 8.0547 8.0547 8.4752 8.4752 8.5002 8.5002 8.8328 8.8328 8.8604 8.8604 10.2044 10.2044 10.2074 10.2074 12.2408 12.2408 12.2487 12.2487 k = 0.0800 0.2741 0.2445 ( 4336 PWs) bands (ev): -1.7501 -1.7501 -1.7500 -1.7500 -0.9260 -0.9260 -0.9254 -0.9254 5.3675 5.3675 5.3725 5.3725 6.3473 6.3473 6.3502 6.3502 7.5794 7.5794 7.5800 7.5800 7.8275 7.8275 7.8333 7.8333 8.0502 8.0502 8.0561 8.0561 8.4488 8.4488 8.4712 8.4712 8.8348 8.8348 8.8585 8.8585 10.2051 10.2051 10.2079 10.2079 12.3013 12.3013 12.3089 12.3089 k = 0.0700 0.2741 0.2445 ( 4336 PWs) bands (ev): -1.7696 -1.7696 -1.7696 -1.7696 -0.9479 -0.9479 -0.9475 -0.9475 5.3519 5.3519 5.3563 5.3563 6.3457 6.3457 6.3482 6.3482 7.5723 7.5723 7.5729 7.5729 7.8560 7.8560 7.8621 7.8621 8.0525 8.0525 8.0576 8.0576 8.4192 8.4192 8.4391 8.4391 8.8376 8.8376 8.8576 8.8576 10.2055 10.2055 10.2079 10.2079 12.3373 12.3373 12.3436 12.3436 k = 0.0600 0.2741 0.2445 ( 4328 PWs) bands (ev): -1.7865 -1.7865 -1.7865 -1.7865 -0.9669 -0.9669 -0.9665 -0.9665 5.3383 5.3383 5.3421 5.3421 6.3438 6.3438 6.3459 6.3459 7.5659 7.5659 7.5664 7.5664 7.8850 7.8850 7.8913 7.8913 8.0552 8.0552 8.0593 8.0593 8.3873 8.3873 8.4049 8.4049 8.8408 8.8408 8.8574 8.8574 10.2056 10.2056 10.2078 10.2078 12.3579 12.3579 12.3627 12.3627 k = 0.0500 0.2741 0.2445 ( 4332 PWs) bands (ev): -1.8009 -1.8009 -1.8009 -1.8009 -0.9831 -0.9831 -0.9827 -0.9827 5.3268 5.3268 5.3300 5.3300 6.3419 6.3419 6.3437 6.3437 7.5603 7.5603 7.5607 7.5607 7.9139 7.9139 7.9202 7.9202 8.0585 8.0585 8.0618 8.0618 8.3542 8.3542 8.3697 8.3697 8.8441 8.8441 8.8574 8.8574 10.2057 10.2057 10.2074 10.2074 12.3698 12.3698 12.3734 12.3734 k = 0.0400 0.2741 0.2445 ( 4336 PWs) bands (ev): -1.8126 -1.8126 -1.8126 -1.8126 -0.9962 -0.9962 -0.9960 -0.9960 5.3174 5.3174 5.3199 5.3199 6.3402 6.3402 6.3416 6.3416 7.5555 7.5555 7.5558 7.5558 7.9415 7.9415 7.9475 7.9475 8.0633 8.0633 8.0655 8.0655 8.3210 8.3210 8.3345 8.3345 8.8472 8.8472 8.8576 8.8576 10.2056 10.2056 10.2071 10.2071 12.3766 12.3766 12.3792 12.3792 k = 0.0300 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.8218 -1.8218 -1.8218 -1.8218 -1.0065 -1.0065 -1.0063 -1.0063 5.3101 5.3101 5.3120 5.3120 6.3388 6.3388 6.3399 6.3399 7.5518 7.5518 7.5520 7.5520 7.9660 7.9660 7.9711 7.9711 8.0702 8.0702 8.0717 8.0717 8.2891 8.2891 8.3004 8.3004 8.8501 8.8501 8.8576 8.8576 10.2056 10.2056 10.2067 10.2067 12.3806 12.3806 12.3824 12.3824 k = 0.0200 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.8283 -1.8283 -1.8283 -1.8283 -1.0138 -1.0138 -1.0137 -1.0137 5.3050 5.3050 5.3062 5.3062 6.3378 6.3378 6.3385 6.3385 7.5490 7.5490 7.5492 7.5492 7.9850 7.9850 7.9886 7.9886 8.0795 8.0795 8.0812 8.0812 8.2608 8.2608 8.2697 8.2697 8.8525 8.8525 8.8574 8.8574 10.2056 10.2056 10.2063 10.2063 12.3829 12.3829 12.3841 12.3841 k = 0.0100 0.2741 0.2445 ( 4348 PWs) bands (ev): -1.8322 -1.8322 -1.8322 -1.8322 -1.0182 -1.0182 -1.0181 -1.0181 5.3020 5.3020 5.3026 5.3026 6.3372 6.3372 6.3375 6.3375 7.5474 7.5474 7.5475 7.5475 7.9968 7.9968 7.9986 7.9986 8.0896 8.0896 8.0912 8.0912 8.2405 8.2405 8.2456 8.2456 8.8543 8.8543 8.8568 8.8568 10.2057 10.2057 10.2060 10.2060 12.3842 12.3842 12.3848 12.3848 k = 0.0000 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.8335 -1.8335 -1.8335 -1.8335 -1.0196 -1.0196 -1.0196 -1.0196 5.3012 5.3012 5.3012 5.3012 6.3371 6.3371 6.3371 6.3371 7.5469 7.5469 7.5469 7.5469 8.0012 8.0012 8.0012 8.0012 8.0953 8.0953 8.0953 8.0953 8.2344 8.2344 8.2344 8.2344 8.8558 8.8558 8.8558 8.8558 10.2058 10.2058 10.2058 10.2058 12.3848 12.3848 12.3848 12.3848 k = 0.0000 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.8335 -1.8335 -1.8335 -1.8335 -1.0196 -1.0196 -1.0196 -1.0196 5.3012 5.3012 5.3012 5.3012 6.3371 6.3371 6.3371 6.3371 7.5469 7.5469 7.5469 7.5469 8.0012 8.0012 8.0012 8.0012 8.0953 8.0953 8.0953 8.0953 8.2344 8.2344 8.2344 8.2344 8.8558 8.8558 8.8558 8.8558 10.2058 10.2058 10.2058 10.2058 12.3848 12.3848 12.3848 12.3848 k = 0.0000 0.2639 0.2445 ( 4340 PWs) bands (ev): -1.8387 -1.8387 -1.8387 -1.8387 -1.0125 -1.0125 -1.0124 -1.0124 5.2954 5.2954 5.2955 5.2955 6.3416 6.3416 6.3418 6.3418 7.5384 7.5384 7.5391 7.5391 7.9951 7.9951 8.0014 8.0014 8.0858 8.0858 8.0953 8.0953 8.2421 8.2421 8.2478 8.2478 8.8554 8.8554 8.8559 8.8559 10.2092 10.2092 10.2096 10.2096 12.3899 12.3899 12.3908 12.3908 k = 0.0000 0.2538 0.2445 ( 4350 PWs) bands (ev): -1.8537 -1.8537 -1.8536 -1.8536 -0.9916 -0.9916 -0.9915 -0.9915 5.2785 5.2785 5.2787 5.2787 6.3549 6.3549 6.3552 6.3552 7.5138 7.5138 7.5150 7.5150 7.9843 7.9843 7.9954 7.9954 8.0742 8.0742 8.0891 8.0891 8.2668 8.2668 8.2752 8.2752 8.8546 8.8546 8.8555 8.8555 10.2194 10.2194 10.2203 10.2203 12.4060 12.4060 12.4079 12.4079 k = 0.0000 0.2436 0.2445 ( 4338 PWs) bands (ev): -1.8769 -1.8769 -1.8769 -1.8769 -0.9584 -0.9584 -0.9583 -0.9583 5.2513 5.2513 5.2515 5.2515 6.3758 6.3758 6.3762 6.3762 7.4742 7.4742 7.4758 7.4758 7.9714 7.9714 7.9846 7.9846 8.0667 8.0667 8.0832 8.0832 8.2997 8.2997 8.3088 8.3088 8.8535 8.8535 8.8547 8.8547 10.2360 10.2360 10.2374 10.2374 12.4323 12.4323 12.4352 12.4352 k = 0.0000 0.2335 0.2445 ( 4338 PWs) bands (ev): -1.9066 -1.9066 -1.9066 -1.9066 -0.9149 -0.9149 -0.9148 -0.9148 5.2150 5.2150 5.2153 5.2153 6.4027 6.4027 6.4033 6.4033 7.4216 7.4216 7.4236 7.4236 7.9588 7.9588 7.9723 7.9723 8.0638 8.0638 8.0799 8.0799 8.3352 8.3352 8.3443 8.3443 8.8520 8.8520 8.8536 8.8536 10.2581 10.2581 10.2598 10.2598 12.4675 12.4675 12.4715 12.4715 k = 0.0000 0.2233 0.2445 ( 4338 PWs) bands (ev): -1.9410 -1.9410 -1.9409 -1.9409 -0.8630 -0.8630 -0.8629 -0.8629 5.1710 5.1710 5.1714 5.1714 6.4337 6.4337 6.4343 6.4343 7.3590 7.3590 7.3612 7.3612 7.9484 7.9484 7.9615 7.9615 8.0637 8.0637 8.0790 8.0790 8.3708 8.3708 8.3795 8.3795 8.8501 8.8501 8.8522 8.8522 10.2846 10.2846 10.2867 10.2867 12.5096 12.5096 12.5149 12.5149 k = 0.0000 0.2132 0.2445 ( 4340 PWs) bands (ev): -1.9783 -1.9783 -1.9782 -1.9782 -0.8043 -0.8043 -0.8043 -0.8043 5.1205 5.1205 5.1209 5.1209 6.4665 6.4665 6.4671 6.4671 7.2900 7.2900 7.2923 7.2923 7.9405 7.9405 7.9531 7.9531 8.0654 8.0654 8.0799 8.0799 8.4056 8.4056 8.4138 8.4138 8.8480 8.8480 8.8504 8.8504 10.3145 10.3145 10.3169 10.3169 12.5555 12.5555 12.5625 12.5625 k = 0.0000 0.2030 0.2445 ( 4344 PWs) bands (ev): -2.0173 -2.0173 -2.0172 -2.0172 -0.7405 -0.7405 -0.7404 -0.7404 5.0646 5.0646 5.0651 5.0651 6.4985 6.4985 6.4991 6.4991 7.2184 7.2184 7.2208 7.2208 7.9351 7.9351 7.9470 7.9470 8.0682 8.0682 8.0823 8.0823 8.4394 8.4394 8.4468 8.4468 8.8455 8.8455 8.8482 8.8482 10.3468 10.3468 10.3495 10.3495 12.6013 12.6013 12.6105 12.6105 k = 0.0000 0.1929 0.2445 ( 4352 PWs) bands (ev): -2.0570 -2.0570 -2.0569 -2.0569 -0.6725 -0.6725 -0.6724 -0.6724 5.0042 5.0042 5.0047 5.0047 6.5263 6.5263 6.5269 6.5269 7.1490 7.1490 7.1514 7.1514 7.9316 7.9316 7.9431 7.9431 8.0719 8.0719 8.0856 8.0856 8.4720 8.4720 8.4788 8.4788 8.8428 8.8428 8.8458 8.8458 10.3809 10.3809 10.3837 10.3837 12.6415 12.6415 12.6535 12.6535 k = 0.0000 0.1827 0.2445 ( 4360 PWs) bands (ev): -2.0966 -2.0966 -2.0966 -2.0966 -0.6013 -0.6013 -0.6012 -0.6012 4.9401 4.9401 4.9405 4.9405 6.5458 6.5458 6.5463 6.5463 7.0870 7.0870 7.0894 7.0894 7.9296 7.9296 7.9408 7.9408 8.0762 8.0762 8.0897 8.0897 8.5038 8.5038 8.5099 8.5099 8.8399 8.8399 8.8433 8.8433 10.4160 10.4160 10.4190 10.4190 12.6697 12.6697 12.6850 12.6850 k = 0.0000 0.1726 0.2445 ( 4356 PWs) bands (ev): -2.1357 -2.1357 -2.1356 -2.1356 -0.5277 -0.5277 -0.5276 -0.5276 4.8728 4.8728 4.8733 4.8733 6.5515 6.5515 6.5523 6.5523 7.0386 7.0386 7.0410 7.0410 7.9290 7.9290 7.9399 7.9399 8.0810 8.0810 8.0944 8.0944 8.5351 8.5351 8.5406 8.5406 8.8369 8.8369 8.8405 8.8405 10.4518 10.4518 10.4551 10.4551 12.6804 12.6804 12.6989 12.6989 k = 0.0000 0.1624 0.2445 ( 4362 PWs) bands (ev): -2.1737 -2.1737 -2.1736 -2.1736 -0.4525 -0.4525 -0.4524 -0.4524 4.8030 4.8030 4.8035 4.8035 6.5389 6.5389 6.5400 6.5400 7.0089 7.0089 7.0115 7.0115 7.9292 7.9292 7.9400 7.9400 8.0862 8.0862 8.0996 8.0996 8.5660 8.5660 8.5710 8.5710 8.8337 8.8337 8.8377 8.8377 10.4883 10.4883 10.4917 10.4917 12.6720 12.6720 12.6925 12.6925 k = 0.0000 0.1523 0.2445 ( 4362 PWs) bands (ev): -2.2102 -2.2102 -2.2102 -2.2102 -0.3762 -0.3762 -0.3761 -0.3761 4.7311 4.7311 4.7316 4.7316 6.5075 6.5075 6.5089 6.5089 6.9992 6.9992 7.0020 7.0020 7.9302 7.9302 7.9408 7.9408 8.0918 8.0918 8.1052 8.1052 8.5967 8.5967 8.6013 8.6013 8.8305 8.8305 8.8349 8.8349 10.5254 10.5254 10.5289 10.5289 12.6478 12.6478 12.6689 12.6689 k = 0.0000 0.1421 0.2445 ( 4354 PWs) bands (ev): -2.2452 -2.2452 -2.2451 -2.2451 -0.2996 -0.2996 -0.2995 -0.2995 4.6578 4.6578 4.6583 4.6583 6.4615 6.4615 6.4632 6.4632 7.0058 7.0058 7.0088 7.0088 7.9317 7.9317 7.9422 7.9422 8.0977 8.0977 8.1111 8.1111 8.6272 8.6272 8.6316 8.6316 8.8275 8.8275 8.8324 8.8324 10.5632 10.5632 10.5670 10.5670 12.6126 12.6126 12.6335 12.6335 k = 0.0000 0.1320 0.2445 ( 4346 PWs) bands (ev): -2.2782 -2.2782 -2.2782 -2.2782 -0.2231 -0.2231 -0.2230 -0.2230 4.5836 4.5836 4.5841 4.5841 6.4072 6.4072 6.4089 6.4089 7.0229 7.0229 7.0260 7.0260 7.9337 7.9337 7.9440 7.9440 8.1037 8.1037 8.1170 8.1170 8.6573 8.6573 8.6618 8.6618 8.8248 8.8248 8.8302 8.8302 10.6020 10.6020 10.6060 10.6060 12.5700 12.5700 12.5905 12.5905 k = 0.0000 0.1218 0.2445 ( 4346 PWs) bands (ev): -2.3093 -2.3093 -2.3093 -2.3093 -0.1475 -0.1475 -0.1474 -0.1474 4.5091 4.5091 4.5096 4.5096 6.3495 6.3495 6.3513 6.3513 7.0457 7.0457 7.0489 7.0489 7.9359 7.9359 7.9461 7.9461 8.1099 8.1099 8.1230 8.1230 8.6865 8.6865 8.6914 8.6914 8.8227 8.8227 8.8289 8.8289 10.6422 10.6422 10.6464 10.6464 12.5219 12.5219 12.5419 12.5419 k = 0.0000 0.1117 0.2445 ( 4346 PWs) bands (ev): -2.3382 -2.3382 -2.3382 -2.3382 -0.0734 -0.0734 -0.0733 -0.0733 4.4351 4.4351 4.4356 4.4356 6.2920 6.2920 6.2937 6.2937 7.0709 7.0709 7.0741 7.0741 7.9384 7.9384 7.9484 7.9484 8.1162 8.1162 8.1289 8.1289 8.7141 8.7141 8.7197 8.7197 8.8219 8.8219 8.8290 8.8290 10.6840 10.6840 10.6885 10.6885 12.4685 12.4685 12.4878 12.4878 k = 0.0000 0.1015 0.2445 ( 4348 PWs) bands (ev): -2.3649 -2.3649 -2.3648 -2.3648 -0.0015 -0.0015 -0.0014 -0.0014 4.3624 4.3624 4.3628 4.3628 6.2367 6.2367 6.2384 6.2384 7.0965 7.0965 7.0997 7.0997 7.9409 7.9409 7.9507 7.9507 8.1223 8.1223 8.1347 8.1347 8.7386 8.7386 8.7451 8.7451 8.8238 8.8238 8.8320 8.8320 10.7277 10.7277 10.7326 10.7326 12.4092 12.4092 12.4275 12.4275 k = 0.0000 0.0914 0.2445 ( 4348 PWs) bands (ev): -2.3892 -2.3892 -2.3892 -2.3892 0.0674 0.0674 0.0675 0.0675 4.2919 4.2919 4.2923 4.2923 6.1851 6.1851 6.1868 6.1868 7.1211 7.1211 7.1244 7.1244 7.9435 7.9435 7.9531 7.9531 8.1283 8.1283 8.1401 8.1401 8.7576 8.7576 8.7645 8.7645 8.8313 8.8313 8.8399 8.8399 10.7738 10.7738 10.7790 10.7790 12.3430 12.3430 12.3598 12.3598 k = 0.0000 0.0812 0.2445 ( 4348 PWs) bands (ev): -2.4111 -2.4111 -2.4111 -2.4111 0.1325 0.1325 0.1326 0.1326 4.2246 4.2246 4.2250 4.2250 6.1380 6.1380 6.1396 6.1396 7.1440 7.1440 7.1474 7.1474 7.9460 7.9460 7.9554 7.9554 8.1341 8.1341 8.1452 8.1452 8.7695 8.7695 8.7754 8.7754 8.8463 8.8463 8.8539 8.8539 10.8224 10.8224 10.8279 10.8279 12.2693 12.2693 12.2842 12.2842 k = 0.0000 0.0711 0.2445 ( 4346 PWs) bands (ev): -2.4305 -2.4305 -2.4305 -2.4305 0.1930 0.1930 0.1931 0.1931 4.1615 4.1615 4.1619 4.1619 6.0959 6.0959 6.0975 6.0975 7.1648 7.1648 7.1681 7.1681 7.9483 7.9483 7.9575 7.9575 8.1396 8.1396 8.1499 8.1499 8.7753 8.7753 8.7796 8.7796 8.8666 8.8666 8.8725 8.8725 10.8736 10.8736 10.8796 10.8796 12.1888 12.1888 12.2016 12.2016 k = 0.0000 0.0609 0.2445 ( 4342 PWs) bands (ev): -2.4475 -2.4475 -2.4474 -2.4474 0.2479 0.2479 0.2480 0.2480 4.1038 4.1038 4.1041 4.1041 6.0592 6.0592 6.0607 6.0607 7.1830 7.1830 7.1864 7.1864 7.9506 7.9506 7.9594 7.9594 8.1445 8.1445 8.1539 8.1539 8.7775 8.7775 8.7805 8.7805 8.8883 8.8883 8.8927 8.8927 10.9274 10.9274 10.9338 10.9338 12.1036 12.1036 12.1143 12.1143 k = 0.0000 0.0508 0.2445 ( 4352 PWs) bands (ev): -2.4619 -2.4619 -2.4618 -2.4618 0.2964 0.2964 0.2965 0.2965 4.0525 4.0525 4.0528 4.0528 6.0279 6.0279 6.0294 6.0294 7.1985 7.1985 7.2020 7.2020 7.9525 7.9525 7.9611 7.9611 8.1490 8.1490 8.1574 8.1574 8.7779 8.7779 8.7800 8.7800 8.9089 8.9089 8.9123 8.9123 10.9831 10.9831 10.9899 10.9899 12.0166 12.0166 12.0254 12.0254 k = 0.0000 0.0406 0.2445 ( 4352 PWs) bands (ev): -2.4737 -2.4737 -2.4736 -2.4736 0.3376 0.3376 0.3377 0.3377 4.0088 4.0088 4.0091 4.0091 6.0023 6.0023 6.0038 6.0038 7.2113 7.2113 7.2148 7.2148 7.9541 7.9541 7.9625 7.9625 8.1528 8.1528 8.1603 8.1603 8.7776 8.7776 8.7791 8.7791 8.9271 8.9271 8.9298 8.9298 11.0395 11.0395 11.0469 11.0469 11.9313 11.9313 11.9386 11.9386 k = 0.0000 0.0305 0.2445 ( 4356 PWs) bands (ev): -2.4829 -2.4829 -2.4829 -2.4829 0.3706 0.3706 0.3707 0.3707 3.9736 3.9736 3.9739 3.9739 5.9824 5.9824 5.9838 5.9838 7.2213 7.2213 7.2247 7.2247 7.9555 7.9555 7.9637 7.9637 8.1560 8.1560 8.1624 8.1624 8.7769 8.7769 8.7780 8.7780 8.9420 8.9420 8.9441 8.9441 11.0943 11.0943 11.1023 11.1023 11.8521 11.8521 11.8579 11.8579 k = 0.0000 0.0203 0.2445 ( 4360 PWs) bands (ev): -2.4895 -2.4895 -2.4894 -2.4894 0.3948 0.3948 0.3948 0.3948 3.9478 3.9478 3.9480 3.9480 5.9681 5.9681 5.9696 5.9696 7.2284 7.2284 7.2318 7.2318 7.9564 7.9564 7.9645 7.9645 8.1583 8.1583 8.1640 8.1640 8.7764 8.7764 8.7771 8.7771 8.9530 8.9530 8.9548 8.9548 11.1432 11.1432 11.1518 11.1518 11.7850 11.7850 11.7893 11.7893 k = 0.0000 0.0102 0.2445 ( 4350 PWs) bands (ev): -2.4934 -2.4934 -2.4934 -2.4934 0.4095 0.4095 0.4096 0.4096 3.9321 3.9321 3.9322 3.9322 5.9596 5.9596 5.9610 5.9610 7.2326 7.2326 7.2361 7.2361 7.9570 7.9570 7.9650 7.9650 8.1598 8.1598 8.1649 8.1649 8.7761 8.7761 8.7766 8.7766 8.9598 8.9598 8.9614 8.9614 11.1788 11.1788 11.1880 11.1880 11.7383 11.7383 11.7409 11.7409 k = 0.0000 0.0000 0.2445 ( 4350 PWs) bands (ev): -2.4947 -2.4947 -2.4947 -2.4947 0.4145 0.4145 0.4145 0.4145 3.9268 3.9268 3.9269 3.9269 5.9567 5.9567 5.9582 5.9582 7.2341 7.2341 7.2376 7.2376 7.9572 7.9572 7.9652 7.9652 8.1603 8.1603 8.1652 8.1652 8.7760 8.7760 8.7764 8.7764 8.9621 8.9621 8.9636 8.9636 11.1923 11.1923 11.2016 11.2016 11.7214 11.7214 11.7228 11.7228 k = 0.0000 0.2741-0.0000 ( 4364 PWs) bands (ev): -2.2785 -2.2785 -2.2784 -2.2784 -0.0544 -0.0544 -0.0543 -0.0543 3.5322 3.5322 3.5323 3.5323 6.8856 6.8856 6.8898 6.8898 7.3683 7.3683 7.3710 7.3710 8.0386 8.0386 8.0534 8.0534 8.2221 8.2221 8.2360 8.2360 8.7348 8.7348 8.7353 8.7353 8.8127 8.8127 8.8191 8.8191 11.8275 11.8275 11.8336 11.8336 12.5185 12.5185 12.5250 12.5250 k = 0.0000 0.2741 0.0098 ( 4368 PWs) bands (ev): -2.2774 -2.2774 -2.2773 -2.2773 -0.0581 -0.0581 -0.0581 -0.0581 3.5379 3.5379 3.5380 3.5380 6.8847 6.8847 6.8888 6.8888 7.3698 7.3698 7.3725 7.3725 8.0384 8.0384 8.0534 8.0534 8.2217 8.2217 8.2358 8.2358 8.7321 8.7321 8.7327 8.7327 8.8128 8.8128 8.8191 8.8191 11.8151 11.8151 11.8213 11.8213 12.5246 12.5246 12.5335 12.5335 k = 0.0000 0.2741 0.0196 ( 4360 PWs) bands (ev): -2.2740 -2.2740 -2.2739 -2.2739 -0.0694 -0.0694 -0.0694 -0.0694 3.5549 3.5549 3.5550 3.5550 6.8818 6.8818 6.8859 6.8859 7.3741 7.3741 7.3769 7.3769 8.0379 8.0379 8.0532 8.0532 8.2209 8.2209 8.2355 8.2355 8.7238 8.7238 8.7247 8.7247 8.8133 8.8133 8.8192 8.8192 11.7799 11.7799 11.7863 11.7863 12.5420 12.5420 12.5555 12.5555 k = 0.0000 0.2741 0.0293 ( 4368 PWs) bands (ev): -2.2684 -2.2684 -2.2683 -2.2683 -0.0879 -0.0879 -0.0878 -0.0878 3.5830 3.5830 3.5831 3.5831 6.8770 6.8770 6.8811 6.8811 7.3812 7.3812 7.3841 7.3841 8.0371 8.0371 8.0529 8.0529 8.2193 8.2193 8.2349 8.2349 8.7101 8.7101 8.7113 8.7113 8.8141 8.8141 8.8194 8.8194 11.7265 11.7265 11.7329 11.7329 12.5668 12.5668 12.5850 12.5850 k = 0.0000 0.2741 0.0391 ( 4364 PWs) bands (ev): -2.2605 -2.2605 -2.2605 -2.2605 -0.1131 -0.1131 -0.1131 -0.1131 3.6216 3.6216 3.6217 3.6217 6.8704 6.8704 6.8745 6.8745 7.3910 7.3910 7.3940 7.3940 8.0359 8.0359 8.0526 8.0526 8.2172 8.2172 8.2340 8.2340 8.6911 8.6911 8.6927 8.6927 8.8152 8.8152 8.8200 8.8200 11.6598 11.6598 11.6661 11.6661 12.5937 12.5937 12.6161 12.6161 k = 0.0000 0.2741 0.0489 ( 4364 PWs) bands (ev): -2.2505 -2.2505 -2.2504 -2.2504 -0.1447 -0.1447 -0.1446 -0.1446 3.6702 3.6702 3.6704 3.6704 6.8621 6.8621 6.8661 6.8661 7.4031 7.4031 7.4062 7.4062 8.0345 8.0345 8.0521 8.0521 8.2144 8.2144 8.2326 8.2326 8.6673 8.6673 8.6691 8.6691 8.8167 8.8167 8.8210 8.8210 11.5838 11.5838 11.5897 11.5897 12.6188 12.6188 12.6445 12.6445 k = 0.0000 0.2741 0.0587 ( 4356 PWs) bands (ev): -2.2383 -2.2383 -2.2383 -2.2383 -0.1819 -0.1819 -0.1818 -0.1818 3.7282 3.7282 3.7284 3.7284 6.8521 6.8521 6.8561 6.8561 7.4174 7.4174 7.4205 7.4205 8.0328 8.0328 8.0515 8.0515 8.2110 8.2110 8.2308 8.2308 8.6389 8.6389 8.6409 8.6409 8.8184 8.8184 8.8223 8.8223 11.5011 11.5011 11.5067 11.5067 12.6390 12.6390 12.6670 12.6670 k = 0.0000 0.2741 0.0685 ( 4360 PWs) bands (ev): -2.2240 -2.2240 -2.2239 -2.2239 -0.2240 -0.2240 -0.2240 -0.2240 3.7947 3.7947 3.7949 3.7949 6.8404 6.8404 6.8443 6.8443 7.4334 7.4334 7.4366 7.4366 8.0309 8.0309 8.0508 8.0508 8.2068 8.2068 8.2283 8.2283 8.6065 8.6065 8.6086 8.6086 8.8204 8.8204 8.8239 8.8239 11.4139 11.4139 11.4191 11.4191 12.6530 12.6530 12.6819 12.6819 k = 0.0000 0.2741 0.0783 ( 4352 PWs) bands (ev): -2.2076 -2.2076 -2.2076 -2.2076 -0.2705 -0.2705 -0.2704 -0.2704 3.8689 3.8689 3.8692 3.8692 6.8271 6.8271 6.8309 6.8309 7.4509 7.4509 7.4541 7.4541 8.0287 8.0287 8.0500 8.0500 8.2016 8.2016 8.2251 8.2251 8.5708 8.5708 8.5729 8.5729 8.8227 8.8227 8.8259 8.8259 11.3235 11.3235 11.3283 11.3283 12.6597 12.6597 12.6883 12.6883 k = 0.0000 0.2741 0.0880 ( 4344 PWs) bands (ev): -2.1893 -2.1893 -2.1892 -2.1892 -0.3204 -0.3204 -0.3203 -0.3203 3.9501 3.9501 3.9504 3.9504 6.8121 6.8121 6.8157 6.8157 7.4696 7.4696 7.4727 7.4727 8.0263 8.0263 8.0491 8.0491 8.1953 8.1953 8.2208 8.2208 8.5327 8.5327 8.5348 8.5348 8.8250 8.8250 8.8281 8.8281 11.2311 11.2311 11.2354 11.2354 12.6590 12.6590 12.6862 12.6862 k = 0.0000 0.2741 0.0978 ( 4336 PWs) bands (ev): -2.1691 -2.1691 -2.1690 -2.1690 -0.3731 -0.3731 -0.3730 -0.3730 4.0374 4.0374 4.0377 4.0377 6.7951 6.7951 6.7987 6.7987 7.4888 7.4888 7.4918 7.4918 8.0238 8.0238 8.0482 8.0482 8.1876 8.1876 8.2152 8.2152 8.4931 8.4931 8.4952 8.4952 8.8275 8.8275 8.8304 8.8304 11.1376 11.1376 11.1415 11.1415 12.6510 12.6510 12.6759 12.6759 k = 0.0000 0.2741 0.1076 ( 4336 PWs) bands (ev): -2.1470 -2.1470 -2.1470 -2.1470 -0.4280 -0.4280 -0.4279 -0.4279 4.1298 4.1298 4.1302 4.1302 6.7762 6.7762 6.7796 6.7796 7.5082 7.5082 7.5110 7.5110 8.0210 8.0210 8.0472 8.0472 8.1780 8.1780 8.2077 8.2077 8.4533 8.4533 8.4557 8.4557 8.8301 8.8301 8.8329 8.8329 11.0440 11.0440 11.0474 11.0474 12.6364 12.6364 12.6584 12.6584 k = 0.0000 0.2741 0.1174 ( 4342 PWs) bands (ev): -2.1233 -2.1233 -2.1233 -2.1233 -0.4843 -0.4843 -0.4842 -0.4842 4.2267 4.2267 4.2270 4.2270 6.7550 6.7550 6.7583 6.7583 7.5271 7.5271 7.5296 7.5296 8.0179 8.0179 8.0460 8.0460 8.1662 8.1662 8.1980 8.1980 8.4149 8.4149 8.4178 8.4178 8.8327 8.8327 8.8354 8.8354 10.9509 10.9509 10.9539 10.9539 12.6164 12.6164 12.6355 12.6355 k = 0.0000 0.2741 0.1272 ( 4348 PWs) bands (ev): -2.0982 -2.0982 -2.0981 -2.0981 -0.5415 -0.5415 -0.5414 -0.5414 4.3270 4.3270 4.3273 4.3273 6.7314 6.7314 6.7344 6.7344 7.5448 7.5448 7.5471 7.5471 8.0147 8.0147 8.0447 8.0447 8.1519 8.1519 8.1855 8.1855 8.3792 8.3792 8.3833 8.3833 8.8354 8.8354 8.8379 8.8379 10.8594 10.8594 10.8620 10.8620 12.5925 12.5925 12.6087 12.6087 k = 0.0000 0.2741 0.1369 ( 4350 PWs) bands (ev): -2.0717 -2.0717 -2.0716 -2.0716 -0.5987 -0.5987 -0.5986 -0.5986 4.4298 4.4298 4.4302 4.4302 6.7049 6.7049 6.7078 6.7078 7.5606 7.5606 7.5625 7.5625 8.0112 8.0112 8.0432 8.0432 8.1353 8.1353 8.1705 8.1705 8.3477 8.3477 8.3537 8.3537 8.8380 8.8380 8.8404 8.8404 10.7703 10.7703 10.7725 10.7725 12.5663 12.5663 12.5800 12.5800 k = 0.0000 0.2741 0.1467 ( 4354 PWs) bands (ev): -2.0442 -2.0442 -2.0441 -2.0441 -0.6555 -0.6555 -0.6554 -0.6554 4.5343 4.5343 4.5347 4.5347 6.6755 6.6755 6.6782 6.6782 7.5734 7.5734 7.5752 7.5752 8.0075 8.0075 8.0411 8.0411 8.1171 8.1171 8.1537 8.1537 8.3212 8.3212 8.3297 8.3297 8.8405 8.8405 8.8429 8.8429 10.6845 10.6845 10.6864 10.6864 12.5393 12.5393 12.5507 12.5507 k = 0.0000 0.2741 0.1565 ( 4354 PWs) bands (ev): -2.0159 -2.0159 -2.0159 -2.0159 -0.7112 -0.7112 -0.7111 -0.7111 4.6393 4.6393 4.6398 4.6398 6.6427 6.6427 6.6452 6.6452 7.5824 7.5824 7.5841 7.5841 8.0036 8.0036 8.0384 8.0384 8.0992 8.0992 8.1373 8.1373 8.2997 8.2997 8.3108 8.3108 8.8429 8.8429 8.8452 8.8452 10.6029 10.6029 10.6045 10.6045 12.5126 12.5126 12.5221 12.5221 k = 0.0000 0.2741 0.1663 ( 4342 PWs) bands (ev): -1.9874 -1.9874 -1.9873 -1.9873 -0.7649 -0.7649 -0.7649 -0.7649 4.7438 4.7438 4.7442 4.7442 6.6067 6.6067 6.6090 6.6090 7.5870 7.5870 7.5888 7.5888 7.9999 7.9999 8.0346 8.0346 8.0839 8.0839 8.1233 8.1233 8.2823 8.2823 8.2960 8.2960 8.8453 8.8453 8.8475 8.8475 10.5266 10.5266 10.5279 10.5279 12.4873 12.4873 12.4952 12.4952 k = 0.0000 0.2741 0.1761 ( 4342 PWs) bands (ev): -1.9590 -1.9590 -1.9590 -1.9590 -0.8161 -0.8161 -0.8161 -0.8161 4.8462 4.8462 4.8466 4.8466 6.5674 6.5674 6.5695 6.5695 7.5871 7.5871 7.5889 7.5889 7.9966 7.9966 8.0297 8.0297 8.0730 8.0730 8.1133 8.1133 8.2684 8.2684 8.2841 8.2841 8.8474 8.8474 8.8495 8.8495 10.4563 10.4563 10.4574 10.4574 12.4640 12.4640 12.4705 12.4705 k = 0.0000 0.2741 0.1858 ( 4342 PWs) bands (ev): -1.9314 -1.9314 -1.9314 -1.9314 -0.8639 -0.8639 -0.8638 -0.8638 4.9449 4.9449 4.9454 4.9454 6.5256 6.5256 6.5275 6.5275 7.5831 7.5831 7.5849 7.5849 7.9942 7.9942 8.0242 8.0242 8.0674 8.0674 8.1073 8.1073 8.2571 8.2571 8.2741 8.2741 8.8494 8.8494 8.8513 8.8513 10.3931 10.3931 10.3941 10.3941 12.4433 12.4433 12.4485 12.4485 k = 0.0000 0.2741 0.1956 ( 4330 PWs) bands (ev): -1.9054 -1.9054 -1.9054 -1.9054 -0.9073 -0.9073 -0.9072 -0.9072 5.0379 5.0379 5.0383 5.0383 6.4823 6.4823 6.4839 6.4839 7.5762 7.5762 7.5779 7.5779 7.9931 7.9931 8.0190 8.0190 8.0667 8.0667 8.1045 8.1045 8.2479 8.2479 8.2653 8.2653 8.8512 8.8512 8.8529 8.8529 10.3379 10.3379 10.3387 10.3387 12.4254 12.4254 12.4295 12.4295 k = 0.0000 0.2741 0.2054 ( 4334 PWs) bands (ev): -1.8819 -1.8819 -1.8819 -1.8819 -0.9452 -0.9452 -0.9452 -0.9452 5.1224 5.1224 5.1228 5.1228 6.4394 6.4394 6.4408 6.4408 7.5678 7.5678 7.5693 7.5693 7.9933 7.9933 8.0144 8.0144 8.0697 8.0697 8.1036 8.1036 8.2407 8.2407 8.2574 8.2574 8.8527 8.8527 8.8541 8.8541 10.2914 10.2914 10.2920 10.2920 12.4106 12.4106 12.4138 12.4138 k = 0.0000 0.2741 0.2152 ( 4332 PWs) bands (ev): -1.8619 -1.8619 -1.8619 -1.8619 -0.9765 -0.9765 -0.9765 -0.9765 5.1951 5.1951 5.1955 5.1955 6.3997 6.3997 6.4007 6.4007 7.5595 7.5595 7.5607 7.5607 7.9944 7.9944 8.0105 8.0105 8.0752 8.0752 8.1033 8.1033 8.2356 8.2356 8.2502 8.2502 8.8539 8.8539 8.8550 8.8550 10.2544 10.2544 10.2549 10.2549 12.3991 12.3991 12.4014 12.4014 k = 0.0000 0.2741 0.2250 ( 4336 PWs) bands (ev): -1.8466 -1.8466 -1.8465 -1.8465 -1.0000 -1.0000 -1.0000 -1.0000 5.2520 5.2520 5.2522 5.2522 6.3668 6.3668 6.3675 6.3675 7.5527 7.5527 7.5535 7.5535 7.9963 7.9963 8.0071 8.0071 8.0821 8.0821 8.1023 8.1023 8.2328 8.2328 8.2438 8.2438 8.8549 8.8549 8.8556 8.8556 10.2275 10.2275 10.2278 10.2278 12.3909 12.3909 12.3924 12.3924 k = 0.0000 0.2741 0.2348 ( 4336 PWs) bands (ev): -1.8369 -1.8369 -1.8369 -1.8369 -1.0146 -1.0146 -1.0146 -1.0146 5.2885 5.2885 5.2887 5.2887 6.3448 6.3448 6.3451 6.3451 7.5483 7.5483 7.5487 7.5487 7.9986 7.9986 8.0040 8.0040 8.0891 8.0891 8.0997 8.0997 8.2324 8.2324 8.2383 8.2383 8.8555 8.8555 8.8559 8.8559 10.2112 10.2112 10.2114 10.2114 12.3861 12.3861 12.3869 12.3869 k = 0.0000 0.2741 0.2445 ( 4340 PWs) bands (ev): -1.8335 -1.8335 -1.8335 -1.8335 -1.0196 -1.0196 -1.0196 -1.0196 5.3012 5.3012 5.3012 5.3012 6.3371 6.3371 6.3371 6.3371 7.5469 7.5469 7.5469 7.5469 8.0012 8.0012 8.0012 8.0012 8.0953 8.0953 8.0953 8.0953 8.2344 8.2344 8.2344 8.2344 8.8558 8.8558 8.8558 8.8558 10.2058 10.2058 10.2058 10.2058 12.3848 12.3848 12.3848 12.3848 k = 0.5000-0.0000 0.2445 ( 4292 PWs) bands (ev): 0.1864 0.1864 0.1920 0.1920 1.5284 1.5284 1.5535 1.5535 3.9341 3.9341 4.0338 4.0338 5.9623 5.9623 6.0537 6.0537 6.4980 6.4980 6.6066 6.6066 6.9162 6.9162 6.9836 6.9836 7.9361 7.9361 7.9400 7.9400 8.2901 8.2901 8.3041 8.3041 8.7233 8.7233 8.7590 8.7590 9.3422 9.3422 9.3634 9.3634 9.8464 9.8464 9.8882 9.8882 k = 0.5000-0.0000 0.2348 ( 4292 PWs) bands (ev): 0.1851 0.1851 0.1907 0.1907 1.5306 1.5306 1.5556 1.5556 3.9349 3.9349 4.0345 4.0345 5.9597 5.9597 6.0516 6.0516 6.4984 6.4984 6.6086 6.6086 6.9178 6.9178 6.9841 6.9841 7.9354 7.9354 7.9398 7.9398 8.2879 8.2879 8.3005 8.3005 8.7208 8.7208 8.7551 8.7551 9.3434 9.3434 9.3639 9.3639 9.8514 9.8514 9.8923 9.8923 k = 0.5000-0.0000 0.2250 ( 4304 PWs) bands (ev): 0.1812 0.1812 0.1868 0.1868 1.5370 1.5370 1.5620 1.5620 3.9374 3.9374 4.0363 4.0363 5.9519 5.9519 6.0453 6.0453 6.4997 6.4997 6.6143 6.6143 6.9224 6.9224 6.9853 6.9853 7.9332 7.9332 7.9390 7.9390 8.2815 8.2815 8.2895 8.2895 8.7137 8.7137 8.7442 8.7442 9.3467 9.3467 9.3652 9.3652 9.8656 9.8656 9.9041 9.9041 k = 0.5000-0.0000 0.2152 ( 4300 PWs) bands (ev): 0.1749 0.1749 0.1804 0.1804 1.5475 1.5475 1.5724 1.5724 3.9416 3.9416 4.0395 4.0395 5.9393 5.9393 6.0350 6.0350 6.5020 6.5020 6.6234 6.6234 6.9299 6.9299 6.9873 6.9873 7.9290 7.9290 7.9372 7.9372 8.2692 8.2692 8.2727 8.2727 8.7042 8.7042 8.7287 8.7287 9.3515 9.3515 9.3673 9.3673 9.8883 9.8883 9.9231 9.9231 k = 0.5000-0.0000 0.2054 ( 4296 PWs) bands (ev): 0.1664 0.1664 0.1718 0.1718 1.5619 1.5619 1.5866 1.5866 3.9474 3.9474 4.0439 4.0439 5.9222 5.9222 6.0208 6.0208 6.5054 6.5054 6.6355 6.6355 6.9398 6.9398 6.9900 6.9900 7.9219 7.9219 7.9334 7.9334 8.2453 8.2453 8.2567 8.2567 8.6946 8.6946 8.7116 8.7116 9.3570 9.3570 9.3696 9.3696 9.9179 9.9179 9.9480 9.9480 k = 0.5000-0.0000 0.1956 ( 4288 PWs) bands (ev): 0.1558 0.1558 0.1611 0.1611 1.5798 1.5798 1.6043 1.6043 3.9551 3.9551 4.0498 4.0498 5.9013 5.9013 6.0029 6.0029 6.5098 6.5098 6.6501 6.6501 6.9517 6.9517 6.9932 6.9932 7.9102 7.9102 7.9258 7.9258 8.2155 8.2155 8.2386 8.2386 8.6870 8.6870 8.6959 8.6959 9.3625 9.3625 9.3720 9.3720 9.9527 9.9527 9.9776 9.9776 k = 0.5000-0.0000 0.1858 ( 4296 PWs) bands (ev): 0.1436 0.1436 0.1487 0.1487 1.6007 1.6007 1.6250 1.6250 3.9646 3.9646 4.0571 4.0571 5.8769 5.8769 5.9815 5.9815 6.5153 6.5153 6.6665 6.6665 6.9651 6.9651 6.9969 6.9969 7.8919 7.8919 7.9120 7.9120 8.1842 8.1842 8.2192 8.2192 8.6817 8.6817 8.6846 8.6846 9.3676 9.3676 9.3743 9.3743 9.9911 9.9911 10.0107 10.0107 k = 0.5000-0.0000 0.1761 ( 4292 PWs) bands (ev): 0.1300 0.1300 0.1350 0.1350 1.6244 1.6244 1.6482 1.6482 3.9760 3.9760 4.0659 4.0659 5.8496 5.8496 5.9569 5.9569 6.5219 6.5219 6.6842 6.6842 6.9795 6.9795 7.0010 7.0010 7.8651 7.8651 7.8889 7.8889 8.1562 8.1562 8.2012 8.2012 8.6756 8.6756 8.6826 8.6826 9.3721 9.3721 9.3765 9.3765 10.0318 10.0318 10.0462 10.0462 k = 0.5000-0.0000 0.1663 ( 4290 PWs) bands (ev): 0.1153 0.1153 0.1202 0.1202 1.6501 1.6501 1.6736 1.6736 3.9893 3.9893 4.0763 4.0763 5.8199 5.8199 5.9292 5.9292 6.5294 6.5294 6.7026 6.7026 6.9944 6.9944 7.0053 7.0053 7.8287 7.8287 7.8542 7.8542 8.1356 8.1356 8.1871 8.1871 8.6732 8.6732 8.6855 8.6855 9.3759 9.3759 9.3785 9.3785 10.0735 10.0735 10.0832 10.0832 k = 0.5000-0.0000 0.1565 ( 4298 PWs) bands (ev): 0.1000 0.1000 0.1046 0.1046 1.6776 1.6776 1.7005 1.7005 4.0047 4.0047 4.0884 4.0884 5.7881 5.7881 5.8988 5.8988 6.5376 6.5376 6.7211 6.7211 7.0085 7.0085 7.0107 7.0107 7.7831 7.7831 7.8084 7.8084 8.1238 8.1238 8.1781 8.1781 8.6755 8.6755 8.6917 8.6917 9.3790 9.3790 9.3805 9.3805 10.1153 10.1153 10.1214 10.1214 k = 0.5000-0.0000 0.1467 ( 4304 PWs) bands (ev): 0.0842 0.0842 0.0886 0.0886 1.7062 1.7062 1.7285 1.7285 4.0222 4.0222 4.1022 4.1022 5.7546 5.7546 5.8658 5.8658 6.5464 6.5464 6.7392 6.7392 7.0138 7.0138 7.0247 7.0247 7.7301 7.7301 7.7543 7.7543 8.1198 8.1198 8.1742 8.1742 8.6818 8.6818 8.7006 8.7006 9.3814 9.3814 9.3826 9.3826 10.1558 10.1558 10.1610 10.1610 k = 0.5000-0.0000 0.1369 ( 4302 PWs) bands (ev): 0.0682 0.0682 0.0724 0.0724 1.7355 1.7355 1.7571 1.7571 4.0419 4.0419 4.1178 4.1178 5.7196 5.7196 5.8305 5.8305 6.5555 6.5555 6.7562 6.7562 7.0182 7.0182 7.0390 7.0390 7.6724 7.6724 7.6954 7.6954 8.1215 8.1215 8.1747 8.1747 8.6914 8.6914 8.7116 8.7116 9.3833 9.3833 9.3848 9.3848 10.1945 10.1945 10.2018 10.2018 k = 0.5000-0.0000 0.1272 ( 4298 PWs) bands (ev): 0.0524 0.0524 0.0563 0.0563 1.7650 1.7650 1.7858 1.7858 4.0637 4.0637 4.1352 4.1352 5.6835 5.6835 5.7930 5.7930 6.5646 6.5646 6.7717 6.7717 7.0225 7.0225 7.0527 7.0527 7.6126 7.6126 7.6347 7.6347 8.1272 8.1272 8.1784 8.1784 8.7035 8.7035 8.7241 8.7241 9.3850 9.3850 9.3868 9.3868 10.2323 10.2323 10.2427 10.2427 k = 0.5000-0.0000 0.1174 ( 4300 PWs) bands (ev): 0.0369 0.0369 0.0406 0.0406 1.7943 1.7943 1.8141 1.8141 4.0875 4.0875 4.1543 4.1543 5.6465 5.6465 5.7537 5.7537 6.5736 6.5736 6.7847 6.7847 7.0268 7.0268 7.0653 7.0653 7.5530 7.5530 7.5746 7.5746 8.1356 8.1356 8.1845 8.1845 8.7175 8.7175 8.7378 8.7378 9.3867 9.3867 9.3885 9.3885 10.2698 10.2698 10.2829 10.2829 k = 0.5000-0.0000 0.1076 ( 4300 PWs) bands (ev): 0.0221 0.0221 0.0255 0.0255 1.8229 1.8229 1.8416 1.8416 4.1133 4.1133 4.1751 4.1751 5.6088 5.6088 5.7126 5.7126 6.5822 6.5822 6.7946 6.7946 7.0313 7.0313 7.0768 7.0768 7.4955 7.4955 7.5169 7.5169 8.1459 8.1459 8.1921 8.1921 8.7327 8.7327 8.7521 8.7521 9.3883 9.3883 9.3901 9.3901 10.3068 10.3068 10.3225 10.3225 k = 0.5000-0.0000 0.0978 ( 4292 PWs) bands (ev): 0.0079 0.0079 0.0111 0.0111 1.8505 1.8505 1.8680 1.8680 4.1408 4.1408 4.1974 4.1974 5.5710 5.5710 5.6702 5.6702 6.5903 6.5903 6.8007 6.8007 7.0361 7.0361 7.0869 7.0869 7.4420 7.4420 7.4632 7.4632 8.1573 8.1573 8.2007 8.2007 8.7486 8.7486 8.7667 8.7667 9.3900 9.3900 9.3916 9.3916 10.3437 10.3437 10.3613 10.3613 k = 0.5000-0.0000 0.0880 ( 4288 PWs) bands (ev): -0.0053 -0.0053 -0.0024 -0.0024 1.8766 1.8766 1.8928 1.8928 4.1698 4.1698 4.2209 4.2209 5.5332 5.5332 5.6269 5.6269 6.5978 6.5978 6.8022 6.8022 7.0415 7.0415 7.0956 7.0956 7.3935 7.3935 7.4143 7.4143 8.1695 8.1695 8.2097 8.2097 8.7647 8.7647 8.7810 8.7810 9.3917 9.3917 9.3931 9.3931 10.3803 10.3803 10.3994 10.3994 k = 0.5000-0.0000 0.0783 ( 4298 PWs) bands (ev): -0.0174 -0.0174 -0.0149 -0.0149 1.9010 1.9010 1.9157 1.9157 4.1998 4.1998 4.2452 4.2452 5.4962 5.4962 5.5831 5.5831 6.6047 6.6047 6.7988 6.7988 7.0476 7.0476 7.1028 7.1028 7.3512 7.3512 7.3710 7.3710 8.1819 8.1819 8.2186 8.2186 8.7803 8.7803 8.7947 8.7947 9.3932 9.3932 9.3944 9.3944 10.4167 10.4167 10.4367 10.4367 k = 0.5000-0.0000 0.0685 ( 4294 PWs) bands (ev): -0.0284 -0.0284 -0.0262 -0.0262 1.9234 1.9234 1.9365 1.9365 4.2302 4.2302 4.2698 4.2698 5.4605 5.4605 5.5395 5.5395 6.6113 6.6113 6.7905 6.7905 7.0545 7.0545 7.1084 7.1084 7.3155 7.3155 7.3336 7.3336 8.1942 8.1942 8.2272 8.2272 8.7952 8.7952 8.8075 8.8075 9.3947 9.3947 9.3958 9.3958 10.4527 10.4527 10.4730 10.4730 k = 0.5000-0.0000 0.0587 ( 4290 PWs) bands (ev): -0.0381 -0.0381 -0.0361 -0.0361 1.9434 1.9434 1.9548 1.9548 4.2604 4.2604 4.2940 4.2940 5.4269 5.4269 5.4970 5.4970 6.6177 6.6177 6.7779 6.7779 7.0619 7.0619 7.1123 7.1123 7.2864 7.2864 7.3022 7.3022 8.2061 8.2061 8.2349 8.2349 8.8089 8.8089 8.8192 8.8192 9.3961 9.3961 9.3972 9.3972 10.4881 10.4881 10.5080 10.5080 k = 0.5000-0.0000 0.0489 ( 4302 PWs) bands (ev): -0.0464 -0.0464 -0.0448 -0.0448 1.9608 1.9608 1.9705 1.9705 4.2893 4.2893 4.3170 4.3170 5.3964 5.3964 5.4567 5.4567 6.6243 6.6243 6.7621 6.7621 7.0697 7.0697 7.1145 7.1145 7.2637 7.2637 7.2766 7.2766 8.2171 8.2171 8.2416 8.2416 8.8210 8.8210 8.8294 8.8294 9.3974 9.3974 9.3985 9.3985 10.5223 10.5223 10.5412 10.5412 k = 0.5000-0.0000 0.0391 ( 4308 PWs) bands (ev): -0.0532 -0.0532 -0.0519 -0.0519 1.9755 1.9755 1.9834 1.9834 4.3159 4.3159 4.3378 4.3378 5.3701 5.3701 5.4197 5.4197 6.6316 6.6316 6.7443 6.7443 7.0774 7.0774 7.1151 7.1151 7.2466 7.2466 7.2566 7.2566 8.2271 8.2271 8.2470 8.2470 8.8314 8.8314 8.8379 8.8379 9.3986 9.3986 9.3995 9.3995 10.5545 10.5545 10.5716 10.5716 k = 0.5000-0.0000 0.0293 ( 4312 PWs) bands (ev): -0.0586 -0.0586 -0.0576 -0.0576 1.9874 1.9874 1.9933 1.9933 4.3390 4.3390 4.3551 4.3551 5.3493 5.3493 5.3873 5.3873 6.6400 6.6400 6.7258 6.7258 7.0849 7.0849 7.1141 7.1141 7.2344 7.2344 7.2417 7.2417 8.2357 8.2357 8.2509 8.2509 8.8399 8.8399 8.8446 8.8446 9.3996 9.3996 9.4004 9.4004 10.5836 10.5836 10.5978 10.5978 k = 0.5000-0.0000 0.0196 ( 4324 PWs) bands (ev): -0.0624 -0.0624 -0.0617 -0.0617 1.9962 1.9962 2.0002 2.0002 4.3574 4.3574 4.3680 4.3680 5.3352 5.3352 5.3610 5.3610 6.6498 6.6498 6.7075 6.7075 7.0919 7.0919 7.1118 7.1118 7.2265 7.2265 7.2312 7.2312 8.2428 8.2428 8.2530 8.2530 8.8461 8.8461 8.8492 8.8492 9.4004 9.4004 9.4010 9.4010 10.6076 10.6076 10.6180 10.6180 k = 0.5000-0.0000 0.0098 ( 4322 PWs) bands (ev): -0.0646 -0.0646 -0.0643 -0.0643 2.0019 2.0019 2.0039 2.0039 4.3699 4.3699 4.3752 4.3752 5.3290 5.3290 5.3420 5.3420 6.6614 6.6614 6.6904 6.6904 7.0982 7.0982 7.1082 7.1082 7.2224 7.2224 7.2247 7.2247 8.2481 8.2481 8.2533 8.2533 8.8503 8.8503 8.8518 8.8518 9.4010 9.4010 9.4013 9.4013 10.6245 10.6245 10.6300 10.6300 k = 0.5000-0.0000-0.0000 ( 4314 PWs) bands (ev): -0.0652 -0.0652 -0.0652 -0.0652 2.0045 2.0045 2.0045 2.0045 4.3759 4.3759 4.3759 4.3759 5.3312 5.3312 5.3312 5.3312 6.6750 6.6750 6.6750 6.6750 7.1037 7.1037 7.1037 7.1037 7.2219 7.2219 7.2219 7.2219 8.2517 8.2517 8.2517 8.2517 8.8522 8.8522 8.8522 8.8522 9.4013 9.4013 9.4013 9.4013 10.6324 10.6324 10.6324 10.6324 k = 0.5000 0.2741-0.0000 ( 4300 PWs) bands (ev): 0.1607 0.1607 0.1684 0.1684 1.6906 1.6906 1.6934 1.6934 4.6746 4.6746 4.7550 4.7550 4.7686 4.7686 4.7760 4.7760 6.3656 6.3656 6.4442 6.4442 6.8490 6.8490 6.8777 6.8777 7.1853 7.1853 7.3691 7.3691 8.3593 8.3593 8.3818 8.3818 8.7852 8.7852 8.8002 8.8002 9.5141 9.5141 9.5372 9.5372 10.3963 10.3963 10.4572 10.4572 k = 0.5000 0.2741 0.0098 ( 4312 PWs) bands (ev): 0.1613 0.1613 0.1689 0.1690 1.6906 1.6907 1.6935 1.6936 4.6671 4.6711 4.7472 4.7550 4.7657 4.7661 4.7669 4.7766 6.3721 6.3758 6.4504 6.4532 6.8495 6.8503 6.8774 6.8792 7.1835 7.1894 7.3659 7.3732 8.3583 8.3618 8.3812 8.3833 8.7836 8.7893 8.7983 8.8040 9.5137 9.5140 9.5371 9.5373 10.3975 10.3982 10.4584 10.4588 k = 0.5000 0.2741 0.0196 ( 4324 PWs) bands (ev): 0.1631 0.1631 0.1707 0.1707 1.6907 1.6910 1.6936 1.6938 4.6494 4.6567 4.7307 4.7427 4.7519 4.7584 4.7603 4.7689 6.3948 6.4020 6.4712 6.4766 6.8520 6.8536 6.8786 6.8822 7.1839 7.1956 7.3636 7.3780 8.3587 8.3657 8.3815 8.3856 8.7844 8.7959 8.7985 8.8098 9.5131 9.5136 9.5369 9.5373 10.4021 10.4034 10.4624 10.4633 k = 0.5000 0.2741 0.0293 ( 4328 PWs) bands (ev): 0.1660 0.1660 0.1736 0.1736 1.6909 1.6913 1.6939 1.6942 4.6227 4.6324 4.7049 4.7140 4.7393 4.7468 4.7488 4.7550 6.4325 6.4428 6.5054 6.5134 6.8568 6.8592 6.8813 6.8867 7.1863 7.2038 7.3622 7.3835 8.3607 8.3709 8.3828 8.3888 8.7879 8.8007 8.8052 8.8177 9.5120 9.5129 9.5367 9.5372 10.4100 10.4121 10.4694 10.4708 k = 0.5000 0.2741 0.0391 ( 4332 PWs) bands (ev): 0.1701 0.1701 0.1775 0.1776 1.6912 1.6918 1.6944 1.6947 4.5883 4.5998 4.6700 4.6769 4.7223 4.7310 4.7328 4.7363 6.4832 6.4962 6.5511 6.5613 6.8644 6.8674 6.8856 6.8930 7.1907 7.2137 7.3614 7.3893 8.3641 8.3771 8.3850 8.3927 8.7939 8.8049 8.8169 8.8277 9.5107 9.5118 9.5365 9.5372 10.4213 10.4243 10.4794 10.4814 k = 0.5000 0.2741 0.0489 ( 4328 PWs) bands (ev): 0.1752 0.1753 0.1826 0.1827 1.6916 1.6922 1.6948 1.6953 4.5480 4.5605 4.6275 4.6340 4.7008 4.7110 4.7126 4.7136 6.5444 6.5595 6.6055 6.6174 6.8759 6.8796 6.8919 6.9014 7.1966 7.2249 7.3612 7.3952 8.3689 8.3840 8.3880 8.3971 8.8024 8.8112 8.8312 8.8397 9.5091 9.5104 9.5362 9.5372 10.4361 10.4403 10.4925 10.4953 k = 0.5000 0.2741 0.0587 ( 4336 PWs) bands (ev): 0.1814 0.1815 0.1887 0.1888 1.6920 1.6927 1.6954 1.6959 4.5033 4.5164 4.5796 4.5869 4.6752 4.6869 4.6872 4.6890 6.6134 6.6299 6.6645 6.6775 6.8932 6.8978 6.9007 6.9126 7.2040 7.2371 7.3615 7.4011 8.3746 8.3914 8.3917 8.4019 8.8135 8.8195 8.8479 8.8536 9.5070 9.5086 9.5359 9.5371 10.4547 10.4601 10.5088 10.5126 k = 0.5000 0.2741 0.0685 ( 4332 PWs) bands (ev): 0.1885 0.1886 0.1957 0.1958 1.6923 1.6932 1.6959 1.6965 4.4557 4.4691 4.5287 4.5369 4.6461 4.6577 4.6593 4.6622 6.6864 6.7036 6.7223 6.7354 6.9136 6.9205 6.9266 6.9285 7.2126 7.2503 7.3620 7.4067 8.3811 8.3959 8.3991 8.4070 8.8270 8.8298 8.8670 8.8693 9.5046 9.5064 9.5355 9.5369 10.4772 10.4842 10.5285 10.5335 k = 0.5000 0.2741 0.0783 ( 4328 PWs) bands (ev): 0.1965 0.1966 0.2035 0.2037 1.6926 1.6936 1.6964 1.6970 4.4066 4.4201 4.4762 4.4853 4.6140 4.6255 4.6287 4.6327 6.7583 6.7713 6.7742 6.7834 6.9338 6.9526 6.9630 6.9721 7.2225 7.2642 7.3629 7.4119 8.3881 8.4005 8.4068 8.4122 8.8419 8.8430 8.8867 8.8883 9.5018 9.5037 9.5349 9.5367 10.5039 10.5127 10.5519 10.5584 k = 0.5000 0.2741 0.0880 ( 4328 PWs) bands (ev): 0.2053 0.2054 0.2122 0.2124 1.6928 1.6939 1.6967 1.6974 4.3572 4.3706 4.4237 4.4333 4.5795 4.5911 4.5956 4.6007 6.8072 6.8184 6.8201 6.8321 6.9685 6.9917 7.0230 7.0355 7.2344 7.2795 7.3645 7.4169 8.3951 8.4053 8.4140 8.4173 8.8560 8.8612 8.9056 8.9117 9.4985 9.5006 9.5341 9.5364 10.5347 10.5458 10.5789 10.5873 k = 0.5000 0.2741 0.0978 ( 4328 PWs) bands (ev): 0.2147 0.2149 0.2214 0.2217 1.6929 1.6940 1.6970 1.6977 4.3085 4.3217 4.3720 4.3820 4.5430 4.5549 4.5608 4.5669 6.8325 6.8435 6.8639 6.8706 7.0219 7.0489 7.0956 7.1109 7.2503 7.2976 7.3679 7.4226 8.4019 8.4100 8.4207 8.4222 8.8717 8.8816 8.9257 8.9368 9.4947 9.4970 9.5331 9.5359 10.5700 10.5837 10.6099 10.6204 k = 0.5000 0.2741 0.1076 ( 4328 PWs) bands (ev): 0.2247 0.2250 0.2312 0.2315 1.6928 1.6939 1.6970 1.6977 4.2614 4.2741 4.3222 4.3322 4.5053 4.5175 4.5245 4.5318 6.8521 6.8632 6.8918 6.8960 7.0838 7.1149 7.1721 7.1899 7.2751 7.3221 7.3761 7.4307 8.4083 8.4145 8.4266 8.4267 8.8890 8.9040 8.9468 8.9635 9.4903 9.4927 9.5317 9.5351 10.6096 10.6264 10.6447 10.6579 k = 0.5000 0.2741 0.1174 ( 4312 PWs) bands (ev): 0.2352 0.2354 0.2414 0.2417 1.6925 1.6936 1.6968 1.6975 4.2165 4.2288 4.2747 4.2847 4.4668 4.4794 4.4874 4.4957 6.8687 6.8803 6.9109 6.9160 7.1360 7.1741 7.2392 7.2634 7.3172 7.3606 7.3978 7.4470 8.4139 8.4188 8.4308 8.4317 8.9077 8.9281 8.9688 8.9915 9.4853 9.4879 9.5298 9.5340 10.6537 10.6741 10.6836 10.6998 k = 0.5000 0.2741 0.1272 ( 4320 PWs) bands (ev): 0.2458 0.2462 0.2518 0.2522 1.6920 1.6930 1.6963 1.6970 4.1744 4.1862 4.2302 4.2399 4.4280 4.4412 4.4499 4.4592 6.8841 6.8960 6.9267 6.9332 7.1682 7.2149 7.2789 7.3185 7.3810 7.4197 7.4456 7.4842 8.4184 8.4223 8.4341 8.4355 8.9275 8.9537 8.9912 9.0204 9.4797 9.4824 9.5273 9.5325 10.7020 10.7262 10.7264 10.7460 k = 0.5000 0.2741 0.1369 ( 4312 PWs) bands (ev): 0.2567 0.2570 0.2623 0.2627 1.6912 1.6923 1.6955 1.6962 4.1357 4.1468 4.1891 4.1984 4.3895 4.4033 4.4126 4.4228 6.8988 6.9111 6.9412 6.9490 7.1848 7.2382 7.2928 7.3457 7.4596 7.4955 7.5166 7.5494 8.4216 8.4251 8.4367 8.4381 8.9484 8.9805 9.0141 9.0501 9.4733 9.4762 9.5242 9.5303 10.7541 10.7724 10.7831 10.7963 k = 0.5000 0.2741 0.1467 ( 4312 PWs) bands (ev): 0.2674 0.2678 0.2728 0.2732 1.6902 1.6913 1.6945 1.6951 4.1007 4.1111 4.1517 4.1603 4.3518 4.3663 4.3757 4.3870 6.9132 6.9259 6.9552 6.9639 7.1930 7.2509 7.2945 7.3539 7.5444 7.5792 7.5982 7.6297 8.4233 8.4269 8.4384 8.4393 8.9702 9.0082 9.0373 9.0802 9.4660 9.4691 9.5201 9.5274 10.8095 10.8218 10.8436 10.8502 k = 0.5000 0.2741 0.1565 ( 4300 PWs) bands (ev): 0.2779 0.2784 0.2829 0.2834 1.6891 1.6900 1.6933 1.6938 4.0697 4.0793 4.1181 4.1261 4.3153 4.3307 4.3399 4.3522 6.9276 6.9405 6.9689 6.9781 7.1965 7.2577 7.2907 7.3535 7.6302 7.6647 7.6822 7.7139 8.4234 8.4276 8.4390 8.4390 8.9929 9.0366 9.0608 9.1107 9.4578 9.4612 9.5151 9.5235 10.8674 10.8738 10.9071 10.9073 k = 0.5000 0.2741 0.1663 ( 4308 PWs) bands (ev): 0.2880 0.2886 0.2926 0.2931 1.6878 1.6887 1.6918 1.6923 4.0428 4.0515 4.0885 4.0956 4.2806 4.2969 4.3055 4.3188 6.9418 6.9548 6.9823 6.9917 7.1972 7.2610 7.2840 7.3487 7.7141 7.7487 7.7645 7.7969 8.4216 8.4268 8.4370 8.4382 9.0162 9.0652 9.0847 9.1412 9.4487 9.4525 9.5088 9.5185 10.9267 10.9275 10.9667 10.9725 k = 0.5000 0.2741 0.1761 ( 4312 PWs) bands (ev): 0.2975 0.2981 0.3016 0.3022 1.6865 1.6872 1.6902 1.6906 4.0203 4.0281 4.0629 4.0691 4.2483 4.2656 4.2730 4.2874 6.9559 6.9688 6.9950 7.0043 7.1963 7.2623 7.2755 7.3414 7.7942 7.8292 7.8426 7.8762 8.4178 8.4245 8.4334 8.4361 9.0403 9.0937 9.1088 9.1714 9.4387 9.4430 9.5012 9.5120 10.9818 10.9861 11.0271 11.0384 k = 0.5000 0.2741 0.1858 ( 4320 PWs) bands (ev): 0.3063 0.3069 0.3099 0.3105 1.6851 1.6858 1.6884 1.6888 4.0020 4.0088 4.0411 4.0462 4.2189 4.2372 4.2428 4.2583 6.9698 6.9824 7.0070 7.0159 7.1945 7.2626 7.2656 7.3326 7.8691 7.9046 7.9149 7.9499 8.4119 8.4204 8.4280 8.4325 9.0650 9.1214 9.1334 9.2008 9.4280 9.4330 9.4920 9.5039 11.0354 11.0438 11.0872 11.1029 k = 0.5000 0.2741 0.1956 ( 4320 PWs) bands (ev): 0.3141 0.3147 0.3171 0.3178 1.6838 1.6844 1.6867 1.6871 3.9880 3.9938 4.0228 4.0270 4.1931 4.2124 4.2154 4.2320 6.9832 6.9954 7.0177 7.0259 7.1925 7.2550 7.2624 7.3229 7.9375 7.9739 7.9799 8.0167 8.4040 8.4143 8.4210 8.4273 9.0900 9.1474 9.1582 9.2288 9.4169 9.4230 9.4813 9.4941 11.0866 11.0978 11.1452 11.1638 k = 0.5000 0.2741 0.2054 ( 4316 PWs) bands (ev): 0.3208 0.3215 0.3233 0.3239 1.6827 1.6832 1.6851 1.6854 3.9781 3.9828 4.0078 4.0110 4.1714 4.1913 4.1916 4.2089 6.9961 7.0074 7.0267 7.0340 7.1911 7.2440 7.2626 7.3128 7.9983 8.0360 8.0361 8.0752 8.3942 8.4061 8.4129 8.4205 9.1149 9.1704 9.1830 9.2540 9.4064 9.4139 9.4690 9.4823 11.1334 11.1458 11.1989 11.2184 k = 0.5000 0.2741 0.2152 ( 4312 PWs) bands (ev): 0.3262 0.3269 0.3281 0.3288 1.6818 1.6822 1.6837 1.6839 3.9720 3.9757 3.9956 3.9980 4.1545 4.1709 4.1756 4.1897 7.0079 7.0183 7.0333 7.0396 7.1910 7.2329 7.2637 7.3026 8.0503 8.0819 8.0899 8.1240 8.3833 8.3961 8.4043 8.4125 9.1390 9.1885 9.2076 9.2738 9.3985 9.4073 9.4554 9.4686 11.1737 11.1855 11.2457 11.2637 k = 0.5000 0.2741 0.2250 ( 4320 PWs) bands (ev): 0.3303 0.3310 0.3315 0.3323 1.6812 1.6816 1.6825 1.6827 3.9694 3.9721 3.9859 3.9876 4.1431 4.1548 4.1646 4.1746 7.0185 7.0275 7.0369 7.0424 7.1929 7.2222 7.2662 7.2929 8.0919 8.1152 8.1341 8.1605 8.3730 8.3847 8.3968 8.4041 9.1614 9.1994 9.2311 9.2843 9.3966 9.4051 9.4410 9.4531 11.2054 11.2145 11.2831 11.2969 k = 0.5000 0.2741 0.2348 ( 4316 PWs) bands (ev): 0.3329 0.3335 0.3336 0.3343 1.6810 1.6813 1.6816 1.6818 3.9698 3.9718 3.9783 3.9798 4.1374 4.1436 4.1590 4.1642 7.0273 7.0348 7.0371 7.0425 7.1972 7.2123 7.2704 7.2840 8.1211 8.1337 8.1665 8.1815 8.3663 8.3739 8.3922 8.3966 9.1806 9.2015 9.2528 9.2827 9.4026 9.4094 9.4266 9.4367 11.2264 11.2314 11.3084 11.3160 k = 0.5000 0.2741 0.2445 ( 4320 PWs) bands (ev): 0.3340 0.3340 0.3347 0.3347 1.6811 1.6811 1.6814 1.6814 3.9729 3.9729 3.9745 3.9745 4.1376 4.1376 4.1589 4.1589 7.0337 7.0337 7.0399 7.0399 7.2038 7.2038 7.2764 7.2764 8.1357 8.1357 8.1834 8.1834 8.3666 8.3666 8.3921 8.3921 9.1947 9.1947 9.2709 9.2709 9.4135 9.4135 9.4209 9.4209 11.2354 11.2354 11.3198 11.3198 Writing output data file FeSb2.save init_run : 0.48s CPU 0.76s WALL ( 1 calls) electrons : 416.39s CPU 420.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 416.38s CPU 420.36s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.19s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 420 calls) cegterg : 388.24s CPU 391.66s WALL ( 870 calls) Called by sum_band: Called by *egterg: h_psi : 244.35s CPU 253.32s WALL ( 14821 calls) s_psi : 32.23s CPU 32.29s WALL ( 14821 calls) g_psi : 0.57s CPU 0.62s WALL ( 13531 calls) cdiaghg : 87.96s CPU 82.03s WALL ( 13951 calls) cegterg:over : 19.24s CPU 18.36s WALL ( 13531 calls) cegterg:upda : 5.62s CPU 9.59s WALL ( 13531 calls) cegterg:last : 5.62s CPU 6.84s WALL ( 2726 calls) Called by h_psi: h_psi:vloc : 205.81s CPU 212.41s WALL ( 14821 calls) h_psi:vnl : 38.40s CPU 40.48s WALL ( 14821 calls) add_vuspsi : 18.83s CPU 22.38s WALL ( 14821 calls) General routines calbec : 19.54s CPU 18.06s WALL ( 14821 calls) fft : 0.04s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 203.13s CPU 205.31s WALL ( 1493748 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.17s WALL ( 840 calls) Parallel routines fft_scatter : 178.49s CPU 144.43s WALL ( 1493771 calls) PWSCF : 7m23.38s CPU 7m39.57s WALL This run was terminated on: 16:21:51 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=