Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:30:39 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: ./PdN2.save/ file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 52 20 6 2264 554 94 Max 53 21 7 2269 571 97 Sum 1689 661 201 72525 17873 3051 bravais-lattice index = 14 lattice parameter (alat) = 5.9961 a.u. unit-cell volume = 453.1187 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.996101 celldm(2)= 1.312323 celldm(3)= 1.601639 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 1.312323 0.000000 ) a(3) = ( 0.000000 0.000000 1.601639 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.762008 -0.000000 ) b(3) = ( 0.000000 0.000000 0.624360 ) PseudoPot. # 1 for Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pd 10.00 106.42000 Pd( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 488 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020492 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0020492 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0020492 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0020492 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0020492 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0020492 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0020492 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0020492 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0020492 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0020492 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0020492 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0020492 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0020492 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0020492 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0020492 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0020492 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0020492 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0020492 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0020492 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0020492 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0020492 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0020492 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0020492 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020492 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0020492 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0020492 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0020492 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0020492 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0020492 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0020492 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0020492 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0020492 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0020492 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0020492 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0020492 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0020492 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0020492 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0020492 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0020492 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0020492 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0020492 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0020492 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0020492 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0020492 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0020492 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0020492 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 53) = ( 0.5000000 0.0100264 -0.0000000), wk = 0.0020492 k( 54) = ( 0.5000000 0.0200528 -0.0000000), wk = 0.0020492 k( 55) = ( 0.5000000 0.0300792 -0.0000000), wk = 0.0020492 k( 56) = ( 0.5000000 0.0401057 -0.0000000), wk = 0.0020492 k( 57) = ( 0.5000000 0.0501321 -0.0000000), wk = 0.0020492 k( 58) = ( 0.5000000 0.0601585 -0.0000000), wk = 0.0020492 k( 59) = ( 0.5000000 0.0701849 -0.0000000), wk = 0.0020492 k( 60) = ( 0.5000000 0.0802113 -0.0000000), wk = 0.0020492 k( 61) = ( 0.5000000 0.0902378 -0.0000000), wk = 0.0020492 k( 62) = ( 0.5000000 0.1002642 -0.0000000), wk = 0.0020492 k( 63) = ( 0.5000000 0.1102906 -0.0000000), wk = 0.0020492 k( 64) = ( 0.5000000 0.1203170 -0.0000000), wk = 0.0020492 k( 65) = ( 0.5000000 0.1303434 -0.0000000), wk = 0.0020492 k( 66) = ( 0.5000000 0.1403698 -0.0000000), wk = 0.0020492 k( 67) = ( 0.5000000 0.1503963 -0.0000000), wk = 0.0020492 k( 68) = ( 0.5000000 0.1604227 -0.0000000), wk = 0.0020492 k( 69) = ( 0.5000000 0.1704491 -0.0000000), wk = 0.0020492 k( 70) = ( 0.5000000 0.1804755 -0.0000000), wk = 0.0020492 k( 71) = ( 0.5000000 0.1905019 -0.0000000), wk = 0.0020492 k( 72) = ( 0.5000000 0.2005283 -0.0000000), wk = 0.0020492 k( 73) = ( 0.5000000 0.2105548 -0.0000000), wk = 0.0020492 k( 74) = ( 0.5000000 0.2205812 -0.0000000), wk = 0.0020492 k( 75) = ( 0.5000000 0.2306076 -0.0000000), wk = 0.0020492 k( 76) = ( 0.5000000 0.2406340 -0.0000000), wk = 0.0020492 k( 77) = ( 0.5000000 0.2506604 -0.0000000), wk = 0.0020492 k( 78) = ( 0.5000000 0.2606868 -0.0000000), wk = 0.0020492 k( 79) = ( 0.5000000 0.2707133 -0.0000000), wk = 0.0020492 k( 80) = ( 0.5000000 0.2807397 -0.0000000), wk = 0.0020492 k( 81) = ( 0.5000000 0.2907661 -0.0000000), wk = 0.0020492 k( 82) = ( 0.5000000 0.3007925 -0.0000000), wk = 0.0020492 k( 83) = ( 0.5000000 0.3108189 -0.0000000), wk = 0.0020492 k( 84) = ( 0.5000000 0.3208453 -0.0000000), wk = 0.0020492 k( 85) = ( 0.5000000 0.3308718 -0.0000000), wk = 0.0020492 k( 86) = ( 0.5000000 0.3408982 -0.0000000), wk = 0.0020492 k( 87) = ( 0.5000000 0.3509246 -0.0000000), wk = 0.0020492 k( 88) = ( 0.5000000 0.3609510 -0.0000000), wk = 0.0020492 k( 89) = ( 0.5000000 0.3709774 -0.0000000), wk = 0.0020492 k( 90) = ( 0.5000000 0.3810038 -0.0000000), wk = 0.0020492 k( 91) = ( 0.5000000 0.3810038 -0.0000000), wk = 0.0020492 k( 92) = ( 0.4900000 0.3810038 -0.0000000), wk = 0.0020492 k( 93) = ( 0.4800000 0.3810038 -0.0000000), wk = 0.0020492 k( 94) = ( 0.4700000 0.3810038 -0.0000000), wk = 0.0020492 k( 95) = ( 0.4600000 0.3810038 -0.0000000), wk = 0.0020492 k( 96) = ( 0.4500000 0.3810038 -0.0000000), wk = 0.0020492 k( 97) = ( 0.4400000 0.3810038 -0.0000000), wk = 0.0020492 k( 98) = ( 0.4300000 0.3810038 -0.0000000), wk = 0.0020492 k( 99) = ( 0.4200000 0.3810038 -0.0000000), wk = 0.0020492 k( 100) = ( 0.4100000 0.3810038 -0.0000000), wk = 0.0020492 k( 101) = ( 0.4000000 0.3810038 -0.0000000), wk = 0.0020492 k( 102) = ( 0.3900000 0.3810038 -0.0000000), wk = 0.0020492 k( 103) = ( 0.3800000 0.3810038 -0.0000000), wk = 0.0020492 k( 104) = ( 0.3700000 0.3810038 -0.0000000), wk = 0.0020492 k( 105) = ( 0.3600000 0.3810038 -0.0000000), wk = 0.0020492 k( 106) = ( 0.3500000 0.3810038 -0.0000000), wk = 0.0020492 k( 107) = ( 0.3400000 0.3810038 -0.0000000), wk = 0.0020492 k( 108) = ( 0.3300000 0.3810038 -0.0000000), wk = 0.0020492 k( 109) = ( 0.3200000 0.3810038 -0.0000000), wk = 0.0020492 k( 110) = ( 0.3100000 0.3810038 -0.0000000), wk = 0.0020492 k( 111) = ( 0.3000000 0.3810038 -0.0000000), wk = 0.0020492 k( 112) = ( 0.2900000 0.3810038 -0.0000000), wk = 0.0020492 k( 113) = ( 0.2800000 0.3810038 -0.0000000), wk = 0.0020492 k( 114) = ( 0.2700000 0.3810038 -0.0000000), wk = 0.0020492 k( 115) = ( 0.2600000 0.3810038 -0.0000000), wk = 0.0020492 k( 116) = ( 0.2500000 0.3810038 -0.0000000), wk = 0.0020492 k( 117) = ( 0.2400000 0.3810038 -0.0000000), wk = 0.0020492 k( 118) = ( 0.2300000 0.3810038 -0.0000000), wk = 0.0020492 k( 119) = ( 0.2200000 0.3810038 -0.0000000), wk = 0.0020492 k( 120) = ( 0.2100000 0.3810038 -0.0000000), wk = 0.0020492 k( 121) = ( 0.2000000 0.3810038 -0.0000000), wk = 0.0020492 k( 122) = ( 0.1900000 0.3810038 -0.0000000), wk = 0.0020492 k( 123) = ( 0.1800000 0.3810038 -0.0000000), wk = 0.0020492 k( 124) = ( 0.1700000 0.3810038 -0.0000000), wk = 0.0020492 k( 125) = ( 0.1600000 0.3810038 -0.0000000), wk = 0.0020492 k( 126) = ( 0.1500000 0.3810038 -0.0000000), wk = 0.0020492 k( 127) = ( 0.1400000 0.3810038 -0.0000000), wk = 0.0020492 k( 128) = ( 0.1300000 0.3810038 -0.0000000), wk = 0.0020492 k( 129) = ( 0.1200000 0.3810038 -0.0000000), wk = 0.0020492 k( 130) = ( 0.1100000 0.3810038 -0.0000000), wk = 0.0020492 k( 131) = ( 0.1000000 0.3810038 -0.0000000), wk = 0.0020492 k( 132) = ( 0.0900000 0.3810038 -0.0000000), wk = 0.0020492 k( 133) = ( 0.0800000 0.3810038 -0.0000000), wk = 0.0020492 k( 134) = ( 0.0700000 0.3810038 -0.0000000), wk = 0.0020492 k( 135) = ( 0.0600000 0.3810038 -0.0000000), wk = 0.0020492 k( 136) = ( 0.0500000 0.3810038 -0.0000000), wk = 0.0020492 k( 137) = ( 0.0400000 0.3810038 -0.0000000), wk = 0.0020492 k( 138) = ( 0.0300000 0.3810038 -0.0000000), wk = 0.0020492 k( 139) = ( 0.0200000 0.3810038 -0.0000000), wk = 0.0020492 k( 140) = ( 0.0100000 0.3810038 -0.0000000), wk = 0.0020492 k( 141) = ( 0.0000000 0.3810038 -0.0000000), wk = 0.0020492 k( 142) = ( 0.0000000 0.3810038 -0.0000000), wk = 0.0020492 k( 143) = ( 0.0000000 0.3709774 -0.0000000), wk = 0.0020492 k( 144) = ( 0.0000000 0.3609510 -0.0000000), wk = 0.0020492 k( 145) = ( 0.0000000 0.3509246 -0.0000000), wk = 0.0020492 k( 146) = ( 0.0000000 0.3408982 -0.0000000), wk = 0.0020492 k( 147) = ( 0.0000000 0.3308718 -0.0000000), wk = 0.0020492 k( 148) = ( 0.0000000 0.3208453 -0.0000000), wk = 0.0020492 k( 149) = ( 0.0000000 0.3108189 -0.0000000), wk = 0.0020492 k( 150) = ( 0.0000000 0.3007925 -0.0000000), wk = 0.0020492 k( 151) = ( 0.0000000 0.2907661 -0.0000000), wk = 0.0020492 k( 152) = ( 0.0000000 0.2807397 -0.0000000), wk = 0.0020492 k( 153) = ( 0.0000000 0.2707133 -0.0000000), wk = 0.0020492 k( 154) = ( 0.0000000 0.2606868 -0.0000000), wk = 0.0020492 k( 155) = ( 0.0000000 0.2506604 -0.0000000), wk = 0.0020492 k( 156) = ( 0.0000000 0.2406340 -0.0000000), wk = 0.0020492 k( 157) = ( 0.0000000 0.2306076 -0.0000000), wk = 0.0020492 k( 158) = ( 0.0000000 0.2205812 -0.0000000), wk = 0.0020492 k( 159) = ( 0.0000000 0.2105548 -0.0000000), wk = 0.0020492 k( 160) = ( 0.0000000 0.2005283 -0.0000000), wk = 0.0020492 k( 161) = ( 0.0000000 0.1905019 -0.0000000), wk = 0.0020492 k( 162) = ( 0.0000000 0.1804755 -0.0000000), wk = 0.0020492 k( 163) = ( 0.0000000 0.1704491 -0.0000000), wk = 0.0020492 k( 164) = ( 0.0000000 0.1604227 -0.0000000), wk = 0.0020492 k( 165) = ( 0.0000000 0.1503963 -0.0000000), wk = 0.0020492 k( 166) = ( 0.0000000 0.1403698 -0.0000000), wk = 0.0020492 k( 167) = ( 0.0000000 0.1303434 -0.0000000), wk = 0.0020492 k( 168) = ( 0.0000000 0.1203170 -0.0000000), wk = 0.0020492 k( 169) = ( 0.0000000 0.1102906 -0.0000000), wk = 0.0020492 k( 170) = ( 0.0000000 0.1002642 -0.0000000), wk = 0.0020492 k( 171) = ( 0.0000000 0.0902378 -0.0000000), wk = 0.0020492 k( 172) = ( 0.0000000 0.0802113 -0.0000000), wk = 0.0020492 k( 173) = ( 0.0000000 0.0701849 -0.0000000), wk = 0.0020492 k( 174) = ( 0.0000000 0.0601585 -0.0000000), wk = 0.0020492 k( 175) = ( 0.0000000 0.0501321 -0.0000000), wk = 0.0020492 k( 176) = ( 0.0000000 0.0401057 -0.0000000), wk = 0.0020492 k( 177) = ( 0.0000000 0.0300792 -0.0000000), wk = 0.0020492 k( 178) = ( 0.0000000 0.0200528 -0.0000000), wk = 0.0020492 k( 179) = ( 0.0000000 0.0100264 -0.0000000), wk = 0.0020492 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020492 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020492 k( 182) = ( 0.0000000 0.0000000 0.0100703), wk = 0.0020492 k( 183) = ( 0.0000000 0.0000000 0.0201407), wk = 0.0020492 k( 184) = ( 0.0000000 0.0000000 0.0302110), wk = 0.0020492 k( 185) = ( 0.0000000 0.0000000 0.0402813), wk = 0.0020492 k( 186) = ( 0.0000000 0.0000000 0.0503517), wk = 0.0020492 k( 187) = ( 0.0000000 0.0000000 0.0604220), wk = 0.0020492 k( 188) = ( 0.0000000 0.0000000 0.0704923), wk = 0.0020492 k( 189) = ( 0.0000000 0.0000000 0.0805626), wk = 0.0020492 k( 190) = ( 0.0000000 0.0000000 0.0906330), wk = 0.0020492 k( 191) = ( 0.0000000 0.0000000 0.1007033), wk = 0.0020492 k( 192) = ( 0.0000000 0.0000000 0.1107736), wk = 0.0020492 k( 193) = ( 0.0000000 0.0000000 0.1208440), wk = 0.0020492 k( 194) = ( 0.0000000 0.0000000 0.1309143), wk = 0.0020492 k( 195) = ( 0.0000000 0.0000000 0.1409846), wk = 0.0020492 k( 196) = ( 0.0000000 0.0000000 0.1510550), wk = 0.0020492 k( 197) = ( 0.0000000 0.0000000 0.1611253), wk = 0.0020492 k( 198) = ( 0.0000000 0.0000000 0.1711956), wk = 0.0020492 k( 199) = ( 0.0000000 0.0000000 0.1812659), wk = 0.0020492 k( 200) = ( 0.0000000 0.0000000 0.1913363), wk = 0.0020492 k( 201) = ( 0.0000000 0.0000000 0.2014066), wk = 0.0020492 k( 202) = ( 0.0000000 0.0000000 0.2114769), wk = 0.0020492 k( 203) = ( 0.0000000 0.0000000 0.2215473), wk = 0.0020492 k( 204) = ( 0.0000000 0.0000000 0.2316176), wk = 0.0020492 k( 205) = ( 0.0000000 0.0000000 0.2416879), wk = 0.0020492 k( 206) = ( 0.0000000 0.0000000 0.2517583), wk = 0.0020492 k( 207) = ( 0.0000000 0.0000000 0.2618286), wk = 0.0020492 k( 208) = ( 0.0000000 0.0000000 0.2718989), wk = 0.0020492 k( 209) = ( 0.0000000 0.0000000 0.2819693), wk = 0.0020492 k( 210) = ( 0.0000000 0.0000000 0.2920396), wk = 0.0020492 k( 211) = ( 0.0000000 0.0000000 0.3021099), wk = 0.0020492 k( 212) = ( 0.0000000 0.0000000 0.3121802), wk = 0.0020492 k( 213) = ( 0.0000000 0.0000000 0.3121802), wk = 0.0020492 k( 214) = ( 0.0100000 -0.0000000 0.3121802), wk = 0.0020492 k( 215) = ( 0.0200000 -0.0000000 0.3121802), wk = 0.0020492 k( 216) = ( 0.0300000 -0.0000000 0.3121802), wk = 0.0020492 k( 217) = ( 0.0400000 -0.0000000 0.3121802), wk = 0.0020492 k( 218) = ( 0.0500000 -0.0000000 0.3121802), wk = 0.0020492 k( 219) = ( 0.0600000 -0.0000000 0.3121802), wk = 0.0020492 k( 220) = ( 0.0700000 -0.0000000 0.3121802), wk = 0.0020492 k( 221) = ( 0.0800000 -0.0000000 0.3121802), wk = 0.0020492 k( 222) = ( 0.0900000 -0.0000000 0.3121802), wk = 0.0020492 k( 223) = ( 0.1000000 -0.0000000 0.3121802), wk = 0.0020492 k( 224) = ( 0.1100000 -0.0000000 0.3121802), wk = 0.0020492 k( 225) = ( 0.1200000 -0.0000000 0.3121802), wk = 0.0020492 k( 226) = ( 0.1300000 -0.0000000 0.3121802), wk = 0.0020492 k( 227) = ( 0.1400000 -0.0000000 0.3121802), wk = 0.0020492 k( 228) = ( 0.1500000 -0.0000000 0.3121802), wk = 0.0020492 k( 229) = ( 0.1600000 -0.0000000 0.3121802), wk = 0.0020492 k( 230) = ( 0.1700000 -0.0000000 0.3121802), wk = 0.0020492 k( 231) = ( 0.1800000 -0.0000000 0.3121802), wk = 0.0020492 k( 232) = ( 0.1900000 -0.0000000 0.3121802), wk = 0.0020492 k( 233) = ( 0.2000000 -0.0000000 0.3121802), wk = 0.0020492 k( 234) = ( 0.2100000 -0.0000000 0.3121802), wk = 0.0020492 k( 235) = ( 0.2200000 -0.0000000 0.3121802), wk = 0.0020492 k( 236) = ( 0.2300000 -0.0000000 0.3121802), wk = 0.0020492 k( 237) = ( 0.2400000 -0.0000000 0.3121802), wk = 0.0020492 k( 238) = ( 0.2500000 -0.0000000 0.3121802), wk = 0.0020492 k( 239) = ( 0.2600000 -0.0000000 0.3121802), wk = 0.0020492 k( 240) = ( 0.2700000 -0.0000000 0.3121802), wk = 0.0020492 k( 241) = ( 0.2800000 -0.0000000 0.3121802), wk = 0.0020492 k( 242) = ( 0.2900000 -0.0000000 0.3121802), wk = 0.0020492 k( 243) = ( 0.3000000 -0.0000000 0.3121802), wk = 0.0020492 k( 244) = ( 0.3100000 -0.0000000 0.3121802), wk = 0.0020492 k( 245) = ( 0.3200000 -0.0000000 0.3121802), wk = 0.0020492 k( 246) = ( 0.3300000 -0.0000000 0.3121802), wk = 0.0020492 k( 247) = ( 0.3400000 -0.0000000 0.3121802), wk = 0.0020492 k( 248) = ( 0.3500000 -0.0000000 0.3121802), wk = 0.0020492 k( 249) = ( 0.3600000 -0.0000000 0.3121802), wk = 0.0020492 k( 250) = ( 0.3700000 -0.0000000 0.3121802), wk = 0.0020492 k( 251) = ( 0.3800000 -0.0000000 0.3121802), wk = 0.0020492 k( 252) = ( 0.3900000 -0.0000000 0.3121802), wk = 0.0020492 k( 253) = ( 0.4000000 -0.0000000 0.3121802), wk = 0.0020492 k( 254) = ( 0.4100000 -0.0000000 0.3121802), wk = 0.0020492 k( 255) = ( 0.4200000 -0.0000000 0.3121802), wk = 0.0020492 k( 256) = ( 0.4300000 -0.0000000 0.3121802), wk = 0.0020492 k( 257) = ( 0.4400000 -0.0000000 0.3121802), wk = 0.0020492 k( 258) = ( 0.4500000 -0.0000000 0.3121802), wk = 0.0020492 k( 259) = ( 0.4600000 -0.0000000 0.3121802), wk = 0.0020492 k( 260) = ( 0.4700000 -0.0000000 0.3121802), wk = 0.0020492 k( 261) = ( 0.4800000 -0.0000000 0.3121802), wk = 0.0020492 k( 262) = ( 0.4900000 -0.0000000 0.3121802), wk = 0.0020492 k( 263) = ( 0.5000000 -0.0000000 0.3121802), wk = 0.0020492 k( 264) = ( 0.5000000 -0.0000000 0.3121802), wk = 0.0020492 k( 265) = ( 0.5000000 0.0100264 0.3121802), wk = 0.0020492 k( 266) = ( 0.5000000 0.0200528 0.3121802), wk = 0.0020492 k( 267) = ( 0.5000000 0.0300792 0.3121802), wk = 0.0020492 k( 268) = ( 0.5000000 0.0401057 0.3121802), wk = 0.0020492 k( 269) = ( 0.5000000 0.0501321 0.3121802), wk = 0.0020492 k( 270) = ( 0.5000000 0.0601585 0.3121802), wk = 0.0020492 k( 271) = ( 0.5000000 0.0701849 0.3121802), wk = 0.0020492 k( 272) = ( 0.5000000 0.0802113 0.3121802), wk = 0.0020492 k( 273) = ( 0.5000000 0.0902378 0.3121802), wk = 0.0020492 k( 274) = ( 0.5000000 0.1002642 0.3121802), wk = 0.0020492 k( 275) = ( 0.5000000 0.1102906 0.3121802), wk = 0.0020492 k( 276) = ( 0.5000000 0.1203170 0.3121802), wk = 0.0020492 k( 277) = ( 0.5000000 0.1303434 0.3121802), wk = 0.0020492 k( 278) = ( 0.5000000 0.1403698 0.3121802), wk = 0.0020492 k( 279) = ( 0.5000000 0.1503963 0.3121802), wk = 0.0020492 k( 280) = ( 0.5000000 0.1604227 0.3121802), wk = 0.0020492 k( 281) = ( 0.5000000 0.1704491 0.3121802), wk = 0.0020492 k( 282) = ( 0.5000000 0.1804755 0.3121802), wk = 0.0020492 k( 283) = ( 0.5000000 0.1905019 0.3121802), wk = 0.0020492 k( 284) = ( 0.5000000 0.2005283 0.3121802), wk = 0.0020492 k( 285) = ( 0.5000000 0.2105548 0.3121802), wk = 0.0020492 k( 286) = ( 0.5000000 0.2205812 0.3121802), wk = 0.0020492 k( 287) = ( 0.5000000 0.2306076 0.3121802), wk = 0.0020492 k( 288) = ( 0.5000000 0.2406340 0.3121802), wk = 0.0020492 k( 289) = ( 0.5000000 0.2506604 0.3121802), wk = 0.0020492 k( 290) = ( 0.5000000 0.2606868 0.3121802), wk = 0.0020492 k( 291) = ( 0.5000000 0.2707133 0.3121802), wk = 0.0020492 k( 292) = ( 0.5000000 0.2807397 0.3121802), wk = 0.0020492 k( 293) = ( 0.5000000 0.2907661 0.3121802), wk = 0.0020492 k( 294) = ( 0.5000000 0.3007925 0.3121802), wk = 0.0020492 k( 295) = ( 0.5000000 0.3108189 0.3121802), wk = 0.0020492 k( 296) = ( 0.5000000 0.3208453 0.3121802), wk = 0.0020492 k( 297) = ( 0.5000000 0.3308718 0.3121802), wk = 0.0020492 k( 298) = ( 0.5000000 0.3408982 0.3121802), wk = 0.0020492 k( 299) = ( 0.5000000 0.3509246 0.3121802), wk = 0.0020492 k( 300) = ( 0.5000000 0.3609510 0.3121802), wk = 0.0020492 k( 301) = ( 0.5000000 0.3709774 0.3121802), wk = 0.0020492 k( 302) = ( 0.5000000 0.3810038 0.3121802), wk = 0.0020492 k( 303) = ( 0.5000000 0.3810038 0.3121802), wk = 0.0020492 k( 304) = ( 0.4900000 0.3810038 0.3121802), wk = 0.0020492 k( 305) = ( 0.4800000 0.3810038 0.3121802), wk = 0.0020492 k( 306) = ( 0.4700000 0.3810038 0.3121802), wk = 0.0020492 k( 307) = ( 0.4600000 0.3810038 0.3121802), wk = 0.0020492 k( 308) = ( 0.4500000 0.3810038 0.3121802), wk = 0.0020492 k( 309) = ( 0.4400000 0.3810038 0.3121802), wk = 0.0020492 k( 310) = ( 0.4300000 0.3810038 0.3121802), wk = 0.0020492 k( 311) = ( 0.4200000 0.3810038 0.3121802), wk = 0.0020492 k( 312) = ( 0.4100000 0.3810038 0.3121802), wk = 0.0020492 k( 313) = ( 0.4000000 0.3810038 0.3121802), wk = 0.0020492 k( 314) = ( 0.3900000 0.3810038 0.3121802), wk = 0.0020492 k( 315) = ( 0.3800000 0.3810038 0.3121802), wk = 0.0020492 k( 316) = ( 0.3700000 0.3810038 0.3121802), wk = 0.0020492 k( 317) = ( 0.3600000 0.3810038 0.3121802), wk = 0.0020492 k( 318) = ( 0.3500000 0.3810038 0.3121802), wk = 0.0020492 k( 319) = ( 0.3400000 0.3810038 0.3121802), wk = 0.0020492 k( 320) = ( 0.3300000 0.3810038 0.3121802), wk = 0.0020492 k( 321) = ( 0.3200000 0.3810038 0.3121802), wk = 0.0020492 k( 322) = ( 0.3100000 0.3810038 0.3121802), wk = 0.0020492 k( 323) = ( 0.3000000 0.3810038 0.3121802), wk = 0.0020492 k( 324) = ( 0.2900000 0.3810038 0.3121802), wk = 0.0020492 k( 325) = ( 0.2800000 0.3810038 0.3121802), wk = 0.0020492 k( 326) = ( 0.2700000 0.3810038 0.3121802), wk = 0.0020492 k( 327) = ( 0.2600000 0.3810038 0.3121802), wk = 0.0020492 k( 328) = ( 0.2500000 0.3810038 0.3121802), wk = 0.0020492 k( 329) = ( 0.2400000 0.3810038 0.3121802), wk = 0.0020492 k( 330) = ( 0.2300000 0.3810038 0.3121802), wk = 0.0020492 k( 331) = ( 0.2200000 0.3810038 0.3121802), wk = 0.0020492 k( 332) = ( 0.2100000 0.3810038 0.3121802), wk = 0.0020492 k( 333) = ( 0.2000000 0.3810038 0.3121802), wk = 0.0020492 k( 334) = ( 0.1900000 0.3810038 0.3121802), wk = 0.0020492 k( 335) = ( 0.1800000 0.3810038 0.3121802), wk = 0.0020492 k( 336) = ( 0.1700000 0.3810038 0.3121802), wk = 0.0020492 k( 337) = ( 0.1600000 0.3810038 0.3121802), wk = 0.0020492 k( 338) = ( 0.1500000 0.3810038 0.3121802), wk = 0.0020492 k( 339) = ( 0.1400000 0.3810038 0.3121802), wk = 0.0020492 k( 340) = ( 0.1300000 0.3810038 0.3121802), wk = 0.0020492 k( 341) = ( 0.1200000 0.3810038 0.3121802), wk = 0.0020492 k( 342) = ( 0.1100000 0.3810038 0.3121802), wk = 0.0020492 k( 343) = ( 0.1000000 0.3810038 0.3121802), wk = 0.0020492 k( 344) = ( 0.0900000 0.3810038 0.3121802), wk = 0.0020492 k( 345) = ( 0.0800000 0.3810038 0.3121802), wk = 0.0020492 k( 346) = ( 0.0700000 0.3810038 0.3121802), wk = 0.0020492 k( 347) = ( 0.0600000 0.3810038 0.3121802), wk = 0.0020492 k( 348) = ( 0.0500000 0.3810038 0.3121802), wk = 0.0020492 k( 349) = ( 0.0400000 0.3810038 0.3121802), wk = 0.0020492 k( 350) = ( 0.0300000 0.3810038 0.3121802), wk = 0.0020492 k( 351) = ( 0.0200000 0.3810038 0.3121802), wk = 0.0020492 k( 352) = ( 0.0100000 0.3810038 0.3121802), wk = 0.0020492 k( 353) = ( 0.0000000 0.3810038 0.3121802), wk = 0.0020492 k( 354) = ( 0.0000000 0.3810038 0.3121802), wk = 0.0020492 k( 355) = ( 0.0000000 0.3709774 0.3121802), wk = 0.0020492 k( 356) = ( 0.0000000 0.3609510 0.3121802), wk = 0.0020492 k( 357) = ( 0.0000000 0.3509246 0.3121802), wk = 0.0020492 k( 358) = ( 0.0000000 0.3408982 0.3121802), wk = 0.0020492 k( 359) = ( 0.0000000 0.3308718 0.3121802), wk = 0.0020492 k( 360) = ( 0.0000000 0.3208453 0.3121802), wk = 0.0020492 k( 361) = ( 0.0000000 0.3108189 0.3121802), wk = 0.0020492 k( 362) = ( 0.0000000 0.3007925 0.3121802), wk = 0.0020492 k( 363) = ( 0.0000000 0.2907661 0.3121802), wk = 0.0020492 k( 364) = ( 0.0000000 0.2807397 0.3121802), wk = 0.0020492 k( 365) = ( 0.0000000 0.2707133 0.3121802), wk = 0.0020492 k( 366) = ( 0.0000000 0.2606868 0.3121802), wk = 0.0020492 k( 367) = ( 0.0000000 0.2506604 0.3121802), wk = 0.0020492 k( 368) = ( 0.0000000 0.2406340 0.3121802), wk = 0.0020492 k( 369) = ( 0.0000000 0.2306076 0.3121802), wk = 0.0020492 k( 370) = ( 0.0000000 0.2205812 0.3121802), wk = 0.0020492 k( 371) = ( 0.0000000 0.2105548 0.3121802), wk = 0.0020492 k( 372) = ( 0.0000000 0.2005283 0.3121802), wk = 0.0020492 k( 373) = ( 0.0000000 0.1905019 0.3121802), wk = 0.0020492 k( 374) = ( 0.0000000 0.1804755 0.3121802), wk = 0.0020492 k( 375) = ( 0.0000000 0.1704491 0.3121802), wk = 0.0020492 k( 376) = ( 0.0000000 0.1604227 0.3121802), wk = 0.0020492 k( 377) = ( 0.0000000 0.1503963 0.3121802), wk = 0.0020492 k( 378) = ( 0.0000000 0.1403698 0.3121802), wk = 0.0020492 k( 379) = ( 0.0000000 0.1303434 0.3121802), wk = 0.0020492 k( 380) = ( 0.0000000 0.1203170 0.3121802), wk = 0.0020492 k( 381) = ( 0.0000000 0.1102906 0.3121802), wk = 0.0020492 k( 382) = ( 0.0000000 0.1002642 0.3121802), wk = 0.0020492 k( 383) = ( 0.0000000 0.0902378 0.3121802), wk = 0.0020492 k( 384) = ( 0.0000000 0.0802113 0.3121802), wk = 0.0020492 k( 385) = ( 0.0000000 0.0701849 0.3121802), wk = 0.0020492 k( 386) = ( 0.0000000 0.0601585 0.3121802), wk = 0.0020492 k( 387) = ( 0.0000000 0.0501321 0.3121802), wk = 0.0020492 k( 388) = ( 0.0000000 0.0401057 0.3121802), wk = 0.0020492 k( 389) = ( 0.0000000 0.0300792 0.3121802), wk = 0.0020492 k( 390) = ( 0.0000000 0.0200528 0.3121802), wk = 0.0020492 k( 391) = ( 0.0000000 0.0100264 0.3121802), wk = 0.0020492 k( 392) = ( 0.0000000 0.0000000 0.3121802), wk = 0.0020492 k( 393) = ( 0.0000000 0.3810038 -0.0000000), wk = 0.0020492 k( 394) = ( 0.0000000 0.3810038 0.0100703), wk = 0.0020492 k( 395) = ( 0.0000000 0.3810038 0.0201407), wk = 0.0020492 k( 396) = ( 0.0000000 0.3810038 0.0302110), wk = 0.0020492 k( 397) = ( 0.0000000 0.3810038 0.0402813), wk = 0.0020492 k( 398) = ( 0.0000000 0.3810038 0.0503517), wk = 0.0020492 k( 399) = ( 0.0000000 0.3810038 0.0604220), wk = 0.0020492 k( 400) = ( 0.0000000 0.3810038 0.0704923), wk = 0.0020492 k( 401) = ( 0.0000000 0.3810038 0.0805626), wk = 0.0020492 k( 402) = ( 0.0000000 0.3810038 0.0906330), wk = 0.0020492 k( 403) = ( 0.0000000 0.3810038 0.1007033), wk = 0.0020492 k( 404) = ( 0.0000000 0.3810038 0.1107736), wk = 0.0020492 k( 405) = ( 0.0000000 0.3810038 0.1208440), wk = 0.0020492 k( 406) = ( 0.0000000 0.3810038 0.1309143), wk = 0.0020492 k( 407) = ( 0.0000000 0.3810038 0.1409846), wk = 0.0020492 k( 408) = ( 0.0000000 0.3810038 0.1510550), wk = 0.0020492 k( 409) = ( 0.0000000 0.3810038 0.1611253), wk = 0.0020492 k( 410) = ( 0.0000000 0.3810038 0.1711956), wk = 0.0020492 k( 411) = ( 0.0000000 0.3810038 0.1812659), wk = 0.0020492 k( 412) = ( 0.0000000 0.3810038 0.1913363), wk = 0.0020492 k( 413) = ( 0.0000000 0.3810038 0.2014066), wk = 0.0020492 k( 414) = ( 0.0000000 0.3810038 0.2114769), wk = 0.0020492 k( 415) = ( 0.0000000 0.3810038 0.2215473), wk = 0.0020492 k( 416) = ( 0.0000000 0.3810038 0.2316176), wk = 0.0020492 k( 417) = ( 0.0000000 0.3810038 0.2416879), wk = 0.0020492 k( 418) = ( 0.0000000 0.3810038 0.2517583), wk = 0.0020492 k( 419) = ( 0.0000000 0.3810038 0.2618286), wk = 0.0020492 k( 420) = ( 0.0000000 0.3810038 0.2718989), wk = 0.0020492 k( 421) = ( 0.0000000 0.3810038 0.2819693), wk = 0.0020492 k( 422) = ( 0.0000000 0.3810038 0.2920396), wk = 0.0020492 k( 423) = ( 0.0000000 0.3810038 0.3021099), wk = 0.0020492 k( 424) = ( 0.0000000 0.3810038 0.3121802), wk = 0.0020492 k( 425) = ( 0.5000000 -0.0000000 0.3121802), wk = 0.0020492 k( 426) = ( 0.5000000 -0.0000000 0.3021099), wk = 0.0020492 k( 427) = ( 0.5000000 -0.0000000 0.2920396), wk = 0.0020492 k( 428) = ( 0.5000000 -0.0000000 0.2819693), wk = 0.0020492 k( 429) = ( 0.5000000 -0.0000000 0.2718989), wk = 0.0020492 k( 430) = ( 0.5000000 -0.0000000 0.2618286), wk = 0.0020492 k( 431) = ( 0.5000000 -0.0000000 0.2517583), wk = 0.0020492 k( 432) = ( 0.5000000 -0.0000000 0.2416879), wk = 0.0020492 k( 433) = ( 0.5000000 -0.0000000 0.2316176), wk = 0.0020492 k( 434) = ( 0.5000000 -0.0000000 0.2215473), wk = 0.0020492 k( 435) = ( 0.5000000 -0.0000000 0.2114769), wk = 0.0020492 k( 436) = ( 0.5000000 -0.0000000 0.2014066), wk = 0.0020492 k( 437) = ( 0.5000000 -0.0000000 0.1913363), wk = 0.0020492 k( 438) = ( 0.5000000 -0.0000000 0.1812659), wk = 0.0020492 k( 439) = ( 0.5000000 -0.0000000 0.1711956), wk = 0.0020492 k( 440) = ( 0.5000000 -0.0000000 0.1611253), wk = 0.0020492 k( 441) = ( 0.5000000 -0.0000000 0.1510550), wk = 0.0020492 k( 442) = ( 0.5000000 -0.0000000 0.1409846), wk = 0.0020492 k( 443) = ( 0.5000000 -0.0000000 0.1309143), wk = 0.0020492 k( 444) = ( 0.5000000 -0.0000000 0.1208440), wk = 0.0020492 k( 445) = ( 0.5000000 -0.0000000 0.1107736), wk = 0.0020492 k( 446) = ( 0.5000000 -0.0000000 0.1007033), wk = 0.0020492 k( 447) = ( 0.5000000 -0.0000000 0.0906330), wk = 0.0020492 k( 448) = ( 0.5000000 -0.0000000 0.0805626), wk = 0.0020492 k( 449) = ( 0.5000000 -0.0000000 0.0704923), wk = 0.0020492 k( 450) = ( 0.5000000 -0.0000000 0.0604220), wk = 0.0020492 k( 451) = ( 0.5000000 -0.0000000 0.0503517), wk = 0.0020492 k( 452) = ( 0.5000000 -0.0000000 0.0402813), wk = 0.0020492 k( 453) = ( 0.5000000 -0.0000000 0.0302110), wk = 0.0020492 k( 454) = ( 0.5000000 -0.0000000 0.0201407), wk = 0.0020492 k( 455) = ( 0.5000000 -0.0000000 0.0100703), wk = 0.0020492 k( 456) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020492 k( 457) = ( 0.5000000 0.3810038 -0.0000000), wk = 0.0020492 k( 458) = ( 0.5000000 0.3810038 0.0100703), wk = 0.0020492 k( 459) = ( 0.5000000 0.3810038 0.0201407), wk = 0.0020492 k( 460) = ( 0.5000000 0.3810038 0.0302110), wk = 0.0020492 k( 461) = ( 0.5000000 0.3810038 0.0402813), wk = 0.0020492 k( 462) = ( 0.5000000 0.3810038 0.0503517), wk = 0.0020492 k( 463) = ( 0.5000000 0.3810038 0.0604220), wk = 0.0020492 k( 464) = ( 0.5000000 0.3810038 0.0704923), wk = 0.0020492 k( 465) = ( 0.5000000 0.3810038 0.0805626), wk = 0.0020492 k( 466) = ( 0.5000000 0.3810038 0.0906330), wk = 0.0020492 k( 467) = ( 0.5000000 0.3810038 0.1007033), wk = 0.0020492 k( 468) = ( 0.5000000 0.3810038 0.1107736), wk = 0.0020492 k( 469) = ( 0.5000000 0.3810038 0.1208440), wk = 0.0020492 k( 470) = ( 0.5000000 0.3810038 0.1309143), wk = 0.0020492 k( 471) = ( 0.5000000 0.3810038 0.1409846), wk = 0.0020492 k( 472) = ( 0.5000000 0.3810038 0.1510550), wk = 0.0020492 k( 473) = ( 0.5000000 0.3810038 0.1611253), wk = 0.0020492 k( 474) = ( 0.5000000 0.3810038 0.1711956), wk = 0.0020492 k( 475) = ( 0.5000000 0.3810038 0.1812659), wk = 0.0020492 k( 476) = ( 0.5000000 0.3810038 0.1913363), wk = 0.0020492 k( 477) = ( 0.5000000 0.3810038 0.2014066), wk = 0.0020492 k( 478) = ( 0.5000000 0.3810038 0.2114769), wk = 0.0020492 k( 479) = ( 0.5000000 0.3810038 0.2215473), wk = 0.0020492 k( 480) = ( 0.5000000 0.3810038 0.2316176), wk = 0.0020492 k( 481) = ( 0.5000000 0.3810038 0.2416879), wk = 0.0020492 k( 482) = ( 0.5000000 0.3810038 0.2517583), wk = 0.0020492 k( 483) = ( 0.5000000 0.3810038 0.2618286), wk = 0.0020492 k( 484) = ( 0.5000000 0.3810038 0.2718989), wk = 0.0020492 k( 485) = ( 0.5000000 0.3810038 0.2819693), wk = 0.0020492 k( 486) = ( 0.5000000 0.3810038 0.2920396), wk = 0.0020492 k( 487) = ( 0.5000000 0.3810038 0.3021099), wk = 0.0020492 k( 488) = ( 0.5000000 0.3810038 0.3121802), wk = 0.0020492 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020492 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0020492 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0020492 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0020492 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0020492 k( 6) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0020492 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0020492 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0020492 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0020492 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0020492 k( 11) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0020492 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0020492 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0020492 k( 14) = ( 0.1300000 0.0000000 0.0000000), wk = 0.0020492 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0020492 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0020492 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0020492 k( 18) = ( 0.1700000 0.0000000 -0.0000000), wk = 0.0020492 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0020492 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0020492 k( 21) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0020492 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0020492 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0020492 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0020492 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0020492 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020492 k( 27) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0020492 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0020492 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0020492 k( 30) = ( 0.2900000 0.0000000 -0.0000000), wk = 0.0020492 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0020492 k( 32) = ( 0.3100000 0.0000000 -0.0000000), wk = 0.0020492 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0020492 k( 34) = ( 0.3300000 0.0000000 0.0000000), wk = 0.0020492 k( 35) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0020492 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0020492 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0020492 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0020492 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0020492 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0020492 k( 41) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0020492 k( 42) = ( 0.4100000 0.0000000 -0.0000000), wk = 0.0020492 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0020492 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0020492 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0020492 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0020492 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0020492 k( 48) = ( 0.4700000 0.0000000 -0.0000000), wk = 0.0020492 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0020492 k( 50) = ( 0.4900000 0.0000000 -0.0000000), wk = 0.0020492 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020492 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020492 k( 53) = ( 0.5000000 0.0131579 0.0000000), wk = 0.0020492 k( 54) = ( 0.5000000 0.0263158 -0.0000000), wk = 0.0020492 k( 55) = ( 0.5000000 0.0394737 0.0000000), wk = 0.0020492 k( 56) = ( 0.5000000 0.0526316 0.0000000), wk = 0.0020492 k( 57) = ( 0.5000000 0.0657895 0.0000000), wk = 0.0020492 k( 58) = ( 0.5000000 0.0789474 -0.0000000), wk = 0.0020492 k( 59) = ( 0.5000000 0.0921053 0.0000000), wk = 0.0020492 k( 60) = ( 0.5000000 0.1052632 0.0000000), wk = 0.0020492 k( 61) = ( 0.5000000 0.1184210 0.0000000), wk = 0.0020492 k( 62) = ( 0.5000000 0.1315789 0.0000000), wk = 0.0020492 k( 63) = ( 0.5000000 0.1447368 0.0000000), wk = 0.0020492 k( 64) = ( 0.5000000 0.1578947 0.0000000), wk = 0.0020492 k( 65) = ( 0.5000000 0.1710526 -0.0000000), wk = 0.0020492 k( 66) = ( 0.5000000 0.1842105 0.0000000), wk = 0.0020492 k( 67) = ( 0.5000000 0.1973684 0.0000000), wk = 0.0020492 k( 68) = ( 0.5000000 0.2105263 0.0000000), wk = 0.0020492 k( 69) = ( 0.5000000 0.2236842 0.0000000), wk = 0.0020492 k( 70) = ( 0.5000000 0.2368421 0.0000000), wk = 0.0020492 k( 71) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0020492 k( 72) = ( 0.5000000 0.2631579 -0.0000000), wk = 0.0020492 k( 73) = ( 0.5000000 0.2763158 0.0000000), wk = 0.0020492 k( 74) = ( 0.5000000 0.2894737 0.0000000), wk = 0.0020492 k( 75) = ( 0.5000000 0.3026316 0.0000000), wk = 0.0020492 k( 76) = ( 0.5000000 0.3157895 0.0000000), wk = 0.0020492 k( 77) = ( 0.5000000 0.3289474 0.0000000), wk = 0.0020492 k( 78) = ( 0.5000000 0.3421053 0.0000000), wk = 0.0020492 k( 79) = ( 0.5000000 0.3552632 0.0000000), wk = 0.0020492 k( 80) = ( 0.5000000 0.3684210 0.0000000), wk = 0.0020492 k( 81) = ( 0.5000000 0.3815789 -0.0000000), wk = 0.0020492 k( 82) = ( 0.5000000 0.3947368 0.0000000), wk = 0.0020492 k( 83) = ( 0.5000000 0.4078947 -0.0000000), wk = 0.0020492 k( 84) = ( 0.5000000 0.4210526 0.0000000), wk = 0.0020492 k( 85) = ( 0.5000000 0.4342105 0.0000000), wk = 0.0020492 k( 86) = ( 0.5000000 0.4473684 0.0000000), wk = 0.0020492 k( 87) = ( 0.5000000 0.4605263 0.0000000), wk = 0.0020492 k( 88) = ( 0.5000000 0.4736842 0.0000000), wk = 0.0020492 k( 89) = ( 0.5000000 0.4868421 0.0000000), wk = 0.0020492 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020492 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020492 k( 92) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0020492 k( 93) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0020492 k( 94) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0020492 k( 95) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0020492 k( 96) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0020492 k( 97) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0020492 k( 98) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0020492 k( 99) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0020492 k( 100) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0020492 k( 101) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0020492 k( 102) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0020492 k( 103) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0020492 k( 104) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0020492 k( 105) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0020492 k( 106) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0020492 k( 107) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0020492 k( 108) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0020492 k( 109) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0020492 k( 110) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0020492 k( 111) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0020492 k( 112) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0020492 k( 113) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0020492 k( 114) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0020492 k( 115) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0020492 k( 116) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0020492 k( 117) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0020492 k( 118) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0020492 k( 119) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0020492 k( 120) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0020492 k( 121) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0020492 k( 122) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0020492 k( 123) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0020492 k( 124) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0020492 k( 125) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0020492 k( 126) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0020492 k( 127) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0020492 k( 128) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0020492 k( 129) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0020492 k( 130) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0020492 k( 131) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0020492 k( 132) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0020492 k( 133) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0020492 k( 134) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0020492 k( 135) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0020492 k( 136) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0020492 k( 137) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0020492 k( 138) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0020492 k( 139) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0020492 k( 140) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0020492 k( 141) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020492 k( 142) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020492 k( 143) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0020492 k( 144) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0020492 k( 145) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0020492 k( 146) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0020492 k( 147) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0020492 k( 148) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0020492 k( 149) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0020492 k( 150) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0020492 k( 151) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0020492 k( 152) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0020492 k( 153) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0020492 k( 154) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0020492 k( 155) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0020492 k( 156) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0020492 k( 157) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0020492 k( 158) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0020492 k( 159) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0020492 k( 160) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0020492 k( 161) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020492 k( 162) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0020492 k( 163) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0020492 k( 164) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0020492 k( 165) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0020492 k( 166) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0020492 k( 167) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0020492 k( 168) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0020492 k( 169) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0020492 k( 170) = ( 0.0000000 0.1315789 0.0000000), wk = 0.0020492 k( 171) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0020492 k( 172) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0020492 k( 173) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0020492 k( 174) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0020492 k( 175) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0020492 k( 176) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0020492 k( 177) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0020492 k( 178) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0020492 k( 179) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0020492 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020492 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020492 k( 182) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0020492 k( 183) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0020492 k( 184) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0020492 k( 185) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0020492 k( 186) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0020492 k( 187) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0020492 k( 188) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0020492 k( 189) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0020492 k( 190) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0020492 k( 191) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0020492 k( 192) = ( 0.0000000 0.0000000 0.1774193), wk = 0.0020492 k( 193) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0020492 k( 194) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0020492 k( 195) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0020492 k( 196) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0020492 k( 197) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0020492 k( 198) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0020492 k( 199) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0020492 k( 200) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0020492 k( 201) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0020492 k( 202) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0020492 k( 203) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0020492 k( 204) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0020492 k( 205) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0020492 k( 206) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0020492 k( 207) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0020492 k( 208) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0020492 k( 209) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0020492 k( 210) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0020492 k( 211) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0020492 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020492 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020492 k( 214) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0020492 k( 215) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0020492 k( 216) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0020492 k( 217) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0020492 k( 218) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0020492 k( 219) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0020492 k( 220) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0020492 k( 221) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0020492 k( 222) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0020492 k( 223) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0020492 k( 224) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0020492 k( 225) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0020492 k( 226) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0020492 k( 227) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0020492 k( 228) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0020492 k( 229) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0020492 k( 230) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0020492 k( 231) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0020492 k( 232) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0020492 k( 233) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0020492 k( 234) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0020492 k( 235) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0020492 k( 236) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0020492 k( 237) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0020492 k( 238) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020492 k( 239) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0020492 k( 240) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0020492 k( 241) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0020492 k( 242) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0020492 k( 243) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0020492 k( 244) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0020492 k( 245) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0020492 k( 246) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0020492 k( 247) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0020492 k( 248) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0020492 k( 249) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0020492 k( 250) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0020492 k( 251) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0020492 k( 252) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0020492 k( 253) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0020492 k( 254) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0020492 k( 255) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0020492 k( 256) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0020492 k( 257) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0020492 k( 258) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0020492 k( 259) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0020492 k( 260) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0020492 k( 261) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0020492 k( 262) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0020492 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020492 k( 264) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020492 k( 265) = ( 0.5000000 0.0131579 0.5000000), wk = 0.0020492 k( 266) = ( 0.5000000 0.0263158 0.5000000), wk = 0.0020492 k( 267) = ( 0.5000000 0.0394737 0.5000000), wk = 0.0020492 k( 268) = ( 0.5000000 0.0526316 0.5000000), wk = 0.0020492 k( 269) = ( 0.5000000 0.0657895 0.5000000), wk = 0.0020492 k( 270) = ( 0.5000000 0.0789474 0.5000000), wk = 0.0020492 k( 271) = ( 0.5000000 0.0921053 0.5000000), wk = 0.0020492 k( 272) = ( 0.5000000 0.1052632 0.5000000), wk = 0.0020492 k( 273) = ( 0.5000000 0.1184210 0.5000000), wk = 0.0020492 k( 274) = ( 0.5000000 0.1315789 0.5000000), wk = 0.0020492 k( 275) = ( 0.5000000 0.1447368 0.5000000), wk = 0.0020492 k( 276) = ( 0.5000000 0.1578947 0.5000000), wk = 0.0020492 k( 277) = ( 0.5000000 0.1710526 0.5000000), wk = 0.0020492 k( 278) = ( 0.5000000 0.1842105 0.5000000), wk = 0.0020492 k( 279) = ( 0.5000000 0.1973684 0.5000000), wk = 0.0020492 k( 280) = ( 0.5000000 0.2105263 0.5000000), wk = 0.0020492 k( 281) = ( 0.5000000 0.2236842 0.5000000), wk = 0.0020492 k( 282) = ( 0.5000000 0.2368421 0.5000000), wk = 0.0020492 k( 283) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0020492 k( 284) = ( 0.5000000 0.2631579 0.5000000), wk = 0.0020492 k( 285) = ( 0.5000000 0.2763158 0.5000000), wk = 0.0020492 k( 286) = ( 0.5000000 0.2894737 0.5000000), wk = 0.0020492 k( 287) = ( 0.5000000 0.3026316 0.5000000), wk = 0.0020492 k( 288) = ( 0.5000000 0.3157895 0.5000000), wk = 0.0020492 k( 289) = ( 0.5000000 0.3289474 0.5000000), wk = 0.0020492 k( 290) = ( 0.5000000 0.3421053 0.5000000), wk = 0.0020492 k( 291) = ( 0.5000000 0.3552632 0.5000000), wk = 0.0020492 k( 292) = ( 0.5000000 0.3684210 0.5000000), wk = 0.0020492 k( 293) = ( 0.5000000 0.3815789 0.5000000), wk = 0.0020492 k( 294) = ( 0.5000000 0.3947368 0.5000000), wk = 0.0020492 k( 295) = ( 0.5000000 0.4078947 0.5000000), wk = 0.0020492 k( 296) = ( 0.5000000 0.4210526 0.5000000), wk = 0.0020492 k( 297) = ( 0.5000000 0.4342105 0.5000000), wk = 0.0020492 k( 298) = ( 0.5000000 0.4473684 0.5000000), wk = 0.0020492 k( 299) = ( 0.5000000 0.4605263 0.5000000), wk = 0.0020492 k( 300) = ( 0.5000000 0.4736842 0.5000000), wk = 0.0020492 k( 301) = ( 0.5000000 0.4868421 0.5000000), wk = 0.0020492 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020492 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020492 k( 304) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0020492 k( 305) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0020492 k( 306) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0020492 k( 307) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0020492 k( 308) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0020492 k( 309) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0020492 k( 310) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0020492 k( 311) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0020492 k( 312) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0020492 k( 313) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0020492 k( 314) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0020492 k( 315) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0020492 k( 316) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0020492 k( 317) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0020492 k( 318) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0020492 k( 319) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0020492 k( 320) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0020492 k( 321) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0020492 k( 322) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0020492 k( 323) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0020492 k( 324) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0020492 k( 325) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0020492 k( 326) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0020492 k( 327) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0020492 k( 328) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020492 k( 329) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0020492 k( 330) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0020492 k( 331) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0020492 k( 332) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0020492 k( 333) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0020492 k( 334) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0020492 k( 335) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0020492 k( 336) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0020492 k( 337) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0020492 k( 338) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0020492 k( 339) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0020492 k( 340) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0020492 k( 341) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0020492 k( 342) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0020492 k( 343) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0020492 k( 344) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0020492 k( 345) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0020492 k( 346) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0020492 k( 347) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0020492 k( 348) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0020492 k( 349) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0020492 k( 350) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0020492 k( 351) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0020492 k( 352) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0020492 k( 353) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020492 k( 354) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020492 k( 355) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0020492 k( 356) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0020492 k( 357) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0020492 k( 358) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0020492 k( 359) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0020492 k( 360) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0020492 k( 361) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0020492 k( 362) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0020492 k( 363) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0020492 k( 364) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0020492 k( 365) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0020492 k( 366) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0020492 k( 367) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0020492 k( 368) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0020492 k( 369) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0020492 k( 370) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0020492 k( 371) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0020492 k( 372) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0020492 k( 373) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020492 k( 374) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0020492 k( 375) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0020492 k( 376) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0020492 k( 377) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0020492 k( 378) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0020492 k( 379) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0020492 k( 380) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0020492 k( 381) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0020492 k( 382) = ( 0.0000000 0.1315789 0.5000000), wk = 0.0020492 k( 383) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0020492 k( 384) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0020492 k( 385) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0020492 k( 386) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0020492 k( 387) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0020492 k( 388) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0020492 k( 389) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0020492 k( 390) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0020492 k( 391) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0020492 k( 392) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020492 k( 393) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020492 k( 394) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0020492 k( 395) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0020492 k( 396) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0020492 k( 397) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0020492 k( 398) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0020492 k( 399) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0020492 k( 400) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0020492 k( 401) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0020492 k( 402) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0020492 k( 403) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0020492 k( 404) = ( 0.0000000 0.5000000 0.1774193), wk = 0.0020492 k( 405) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0020492 k( 406) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0020492 k( 407) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0020492 k( 408) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0020492 k( 409) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0020492 k( 410) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0020492 k( 411) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0020492 k( 412) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0020492 k( 413) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0020492 k( 414) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0020492 k( 415) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0020492 k( 416) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0020492 k( 417) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0020492 k( 418) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0020492 k( 419) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0020492 k( 420) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0020492 k( 421) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0020492 k( 422) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0020492 k( 423) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0020492 k( 424) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020492 k( 425) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020492 k( 426) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0020492 k( 427) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0020492 k( 428) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0020492 k( 429) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0020492 k( 430) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0020492 k( 431) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0020492 k( 432) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0020492 k( 433) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0020492 k( 434) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0020492 k( 435) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0020492 k( 436) = ( 0.5000000 0.0000000 0.3225806), wk = 0.0020492 k( 437) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0020492 k( 438) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0020492 k( 439) = ( 0.5000000 0.0000000 0.2741935), wk = 0.0020492 k( 440) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0020492 k( 441) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0020492 k( 442) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0020492 k( 443) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0020492 k( 444) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0020492 k( 445) = ( 0.5000000 0.0000000 0.1774193), wk = 0.0020492 k( 446) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0020492 k( 447) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0020492 k( 448) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0020492 k( 449) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0020492 k( 450) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0020492 k( 451) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0020492 k( 452) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0020492 k( 453) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0020492 k( 454) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0020492 k( 455) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0020492 k( 456) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020492 k( 457) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020492 k( 458) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0020492 k( 459) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0020492 k( 460) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0020492 k( 461) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0020492 k( 462) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0020492 k( 463) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0020492 k( 464) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0020492 k( 465) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0020492 k( 466) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0020492 k( 467) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0020492 k( 468) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0020492 k( 469) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0020492 k( 470) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0020492 k( 471) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0020492 k( 472) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0020492 k( 473) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0020492 k( 474) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0020492 k( 475) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0020492 k( 476) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0020492 k( 477) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0020492 k( 478) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0020492 k( 479) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0020492 k( 480) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0020492 k( 481) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0020492 k( 482) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0020492 k( 483) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0020492 k( 484) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0020492 k( 485) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0020492 k( 486) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0020492 k( 487) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0020492 k( 488) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020492 Dense grid: 72525 G-vectors FFT dimensions: ( 45, 54, 72) Smooth grid: 17873 G-vectors FFT dimensions: ( 25, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 158, 48) NL pseudopotentials 0.15 Mb ( 79, 124) Each V/rho on FFT grid 0.11 Mb ( 7290) Each G-vector array 0.02 Mb ( 2269) G-vector shells 0.01 Mb ( 1134) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 158, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./PdN2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.8 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.3 secs Computing kpt #: 24 total cpu time spent up to now is 13.7 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.7 secs Computing kpt #: 27 total cpu time spent up to now is 15.2 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.1 secs Computing kpt #: 30 total cpu time spent up to now is 16.6 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.7 secs Computing kpt #: 41 total cpu time spent up to now is 22.2 secs Computing kpt #: 42 total cpu time spent up to now is 22.7 secs Computing kpt #: 43 total cpu time spent up to now is 23.2 secs Computing kpt #: 44 total cpu time spent up to now is 23.7 secs Computing kpt #: 45 total cpu time spent up to now is 24.2 secs Computing kpt #: 46 total cpu time spent up to now is 24.8 secs Computing kpt #: 47 total cpu time spent up to now is 25.3 secs Computing kpt #: 48 total cpu time spent up to now is 25.8 secs Computing kpt #: 49 total cpu time spent up to now is 26.3 secs Computing kpt #: 50 total cpu time spent up to now is 26.9 secs Computing kpt #: 51 total cpu time spent up to now is 27.4 secs Computing kpt #: 52 total cpu time spent up to now is 27.9 secs Computing kpt #: 53 total cpu time spent up to now is 28.5 secs Computing kpt #: 54 total cpu time spent up to now is 29.0 secs Computing kpt #: 55 total cpu time spent up to now is 29.6 secs Computing kpt #: 56 total cpu time spent up to now is 30.1 secs Computing kpt #: 57 total cpu time spent up to now is 30.6 secs Computing kpt #: 58 total cpu time spent up to now is 31.2 secs Computing kpt #: 59 total cpu time spent up to now is 31.7 secs Computing kpt #: 60 total cpu time spent up to now is 32.2 secs Computing kpt #: 61 total cpu time spent up to now is 32.7 secs Computing kpt #: 62 total cpu time spent up to now is 33.3 secs Computing kpt #: 63 total cpu time spent up to now is 33.8 secs Computing kpt #: 64 total cpu time spent up to now is 34.3 secs Computing kpt #: 65 total cpu time spent up to now is 34.8 secs Computing kpt #: 66 total cpu time spent up to now is 35.3 secs Computing kpt #: 67 total cpu time spent up to now is 35.8 secs Computing kpt #: 68 total cpu time spent up to now is 36.3 secs Computing kpt #: 69 total cpu time spent up to now is 36.7 secs Computing kpt #: 70 total cpu time spent up to now is 37.2 secs Computing kpt #: 71 total cpu time spent up to now is 37.7 secs Computing kpt #: 72 total cpu time spent up to now is 38.2 secs Computing kpt #: 73 total cpu time spent up to now is 38.7 secs Computing kpt #: 74 total cpu time spent up to now is 39.2 secs Computing kpt #: 75 total cpu time spent up to now is 39.6 secs Computing kpt #: 76 total cpu time spent up to now is 40.1 secs Computing kpt #: 77 total cpu time spent up to now is 40.6 secs Computing kpt #: 78 total cpu time spent up to now is 41.0 secs Computing kpt #: 79 total cpu time spent up to now is 41.5 secs Computing kpt #: 80 total cpu time spent up to now is 41.9 secs Computing kpt #: 81 total cpu time spent up to now is 42.4 secs Computing kpt #: 82 total cpu time spent up to now is 42.9 secs Computing kpt #: 83 total cpu time spent up to now is 43.3 secs Computing kpt #: 84 total cpu time spent up to now is 43.8 secs Computing kpt #: 85 total cpu time spent up to now is 44.2 secs Computing kpt #: 86 total cpu time spent up to now is 44.6 secs Computing kpt #: 87 total cpu time spent up to now is 45.1 secs Computing kpt #: 88 total cpu time spent up to now is 45.5 secs Computing kpt #: 89 total cpu time spent up to now is 45.9 secs Computing kpt #: 90 total cpu time spent up to now is 46.4 secs Computing kpt #: 91 total cpu time spent up to now is 46.8 secs Computing kpt #: 92 total cpu time spent up to now is 47.2 secs Computing kpt #: 93 total cpu time spent up to now is 47.6 secs Computing kpt #: 94 total cpu time spent up to now is 48.1 secs Computing kpt #: 95 total cpu time spent up to now is 48.5 secs Computing kpt #: 96 total cpu time spent up to now is 48.9 secs Computing kpt #: 97 total cpu time spent up to now is 49.4 secs Computing kpt #: 98 total cpu time spent up to now is 49.8 secs Computing kpt #: 99 total cpu time spent up to now is 50.2 secs Computing kpt #: 100 total cpu time spent up to now is 50.7 secs Computing kpt #: 101 total cpu time spent up to now is 51.1 secs Computing kpt #: 102 total cpu time spent up to now is 51.6 secs Computing kpt #: 103 total cpu time spent up to now is 52.0 secs Computing kpt #: 104 total cpu time spent up to now is 52.5 secs Computing kpt #: 105 total cpu time spent up to now is 52.9 secs Computing kpt #: 106 total cpu time spent up to now is 53.4 secs Computing kpt #: 107 total cpu time spent up to now is 53.8 secs Computing kpt #: 108 total cpu time spent up to now is 54.2 secs Computing kpt #: 109 total cpu time spent up to now is 54.7 secs Computing kpt #: 110 total cpu time spent up to now is 55.1 secs Computing kpt #: 111 total cpu time spent up to now is 55.6 secs Computing kpt #: 112 total cpu time spent up to now is 56.0 secs Computing kpt #: 113 total cpu time spent up to now is 56.5 secs Computing kpt #: 114 total cpu time spent up to now is 57.0 secs Computing kpt #: 115 total cpu time spent up to now is 57.4 secs Computing kpt #: 116 total cpu time spent up to now is 57.9 secs Computing kpt #: 117 total cpu time spent up to now is 58.3 secs Computing kpt #: 118 total cpu time spent up to now is 58.8 secs Computing kpt #: 119 total cpu time spent up to now is 59.3 secs Computing kpt #: 120 total cpu time spent up to now is 59.7 secs Computing kpt #: 121 total cpu time spent up to now is 60.2 secs Computing kpt #: 122 total cpu time spent up to now is 60.7 secs Computing kpt #: 123 total cpu time spent up to now is 61.1 secs Computing kpt #: 124 total cpu time spent up to now is 61.6 secs Computing kpt #: 125 total cpu time spent up to now is 62.1 secs Computing kpt #: 126 total cpu time spent up to now is 62.5 secs Computing kpt #: 127 total cpu time spent up to now is 63.0 secs Computing kpt #: 128 total cpu time spent up to now is 63.4 secs Computing kpt #: 129 total cpu time spent up to now is 63.9 secs Computing kpt #: 130 total cpu time spent up to now is 64.4 secs Computing kpt #: 131 total cpu time spent up to now is 64.8 secs Computing kpt #: 132 total cpu time spent up to now is 65.3 secs Computing kpt #: 133 total cpu time spent up to now is 65.7 secs Computing kpt #: 134 total cpu time spent up to now is 66.2 secs Computing kpt #: 135 total cpu time spent up to now is 66.6 secs Computing kpt #: 136 total cpu time spent up to now is 67.1 secs Computing kpt #: 137 total cpu time spent up to now is 67.5 secs Computing kpt #: 138 total cpu time spent up to now is 68.0 secs Computing kpt #: 139 total cpu time spent up to now is 68.4 secs Computing kpt #: 140 total cpu time spent up to now is 68.8 secs Computing kpt #: 141 total cpu time spent up to now is 69.3 secs Computing kpt #: 142 total cpu time spent up to now is 69.7 secs Computing kpt #: 143 total cpu time spent up to now is 70.2 secs Computing kpt #: 144 total cpu time spent up to now is 70.6 secs Computing kpt #: 145 total cpu time spent up to now is 71.0 secs Computing kpt #: 146 total cpu time spent up to now is 71.5 secs Computing kpt #: 147 total cpu time spent up to now is 71.9 secs Computing kpt #: 148 total cpu time spent up to now is 72.4 secs Computing kpt #: 149 total cpu time spent up to now is 72.8 secs Computing kpt #: 150 total cpu time spent up to now is 73.2 secs Computing kpt #: 151 total cpu time spent up to now is 73.7 secs Computing kpt #: 152 total cpu time spent up to now is 74.1 secs Computing kpt #: 153 total cpu time spent up to now is 74.5 secs Computing kpt #: 154 total cpu time spent up to now is 75.0 secs Computing kpt #: 155 total cpu time spent up to now is 75.4 secs Computing kpt #: 156 total cpu time spent up to now is 75.9 secs Computing kpt #: 157 total cpu time spent up to now is 76.3 secs Computing kpt #: 158 total cpu time spent up to now is 76.7 secs Computing kpt #: 159 total cpu time spent up to now is 77.2 secs Computing kpt #: 160 total cpu time spent up to now is 77.6 secs Computing kpt #: 161 total cpu time spent up to now is 78.1 secs Computing kpt #: 162 total cpu time spent up to now is 78.5 secs Computing kpt #: 163 total cpu time spent up to now is 79.0 secs Computing kpt #: 164 total cpu time spent up to now is 79.4 secs Computing kpt #: 165 total cpu time spent up to now is 79.8 secs Computing kpt #: 166 total cpu time spent up to now is 80.3 secs Computing kpt #: 167 total cpu time spent up to now is 80.7 secs Computing kpt #: 168 total cpu time spent up to now is 81.1 secs Computing kpt #: 169 total cpu time spent up to now is 81.5 secs Computing kpt #: 170 total cpu time spent up to now is 82.0 secs Computing kpt #: 171 total cpu time spent up to now is 82.4 secs Computing kpt #: 172 total cpu time spent up to now is 82.8 secs Computing kpt #: 173 total cpu time spent up to now is 83.2 secs Computing kpt #: 174 total cpu time spent up to now is 83.7 secs Computing kpt #: 175 total cpu time spent up to now is 84.1 secs Computing kpt #: 176 total cpu time spent up to now is 84.5 secs Computing kpt #: 177 total cpu time spent up to now is 84.9 secs Computing kpt #: 178 total cpu time spent up to now is 85.4 secs Computing kpt #: 179 total cpu time spent up to now is 85.8 secs Computing kpt #: 180 total cpu time spent up to now is 86.2 secs Computing kpt #: 181 total cpu time spent up to now is 86.7 secs Computing kpt #: 182 total cpu time spent up to now is 87.1 secs Computing kpt #: 183 total cpu time spent up to now is 87.5 secs Computing kpt #: 184 total cpu time spent up to now is 87.9 secs Computing kpt #: 185 total cpu time spent up to now is 88.4 secs Computing kpt #: 186 total cpu time spent up to now is 88.8 secs Computing kpt #: 187 total cpu time spent up to now is 89.3 secs Computing kpt #: 188 total cpu time spent up to now is 89.7 secs Computing kpt #: 189 total cpu time spent up to now is 90.1 secs Computing kpt #: 190 total cpu time spent up to now is 90.6 secs Computing kpt #: 191 total cpu time spent up to now is 91.0 secs Computing kpt #: 192 total cpu time spent up to now is 91.4 secs Computing kpt #: 193 total cpu time spent up to now is 91.9 secs Computing kpt #: 194 total cpu time spent up to now is 92.3 secs Computing kpt #: 195 total cpu time spent up to now is 92.8 secs Computing kpt #: 196 total cpu time spent up to now is 93.2 secs Computing kpt #: 197 total cpu time spent up to now is 93.6 secs Computing kpt #: 198 total cpu time spent up to now is 94.1 secs Computing kpt #: 199 total cpu time spent up to now is 94.5 secs Computing kpt #: 200 total cpu time spent up to now is 95.0 secs Computing kpt #: 201 total cpu time spent up to now is 95.4 secs Computing kpt #: 202 total cpu time spent up to now is 95.8 secs Computing kpt #: 203 total cpu time spent up to now is 96.2 secs Computing kpt #: 204 total cpu time spent up to now is 96.7 secs Computing kpt #: 205 total cpu time spent up to now is 97.1 secs Computing kpt #: 206 total cpu time spent up to now is 97.6 secs Computing kpt #: 207 total cpu time spent up to now is 98.0 secs Computing kpt #: 208 total cpu time spent up to now is 98.4 secs Computing kpt #: 209 total cpu time spent up to now is 98.9 secs Computing kpt #: 210 total cpu time spent up to now is 99.3 secs Computing kpt #: 211 total cpu time spent up to now is 99.7 secs Computing kpt #: 212 total cpu time spent up to now is 100.2 secs Computing kpt #: 213 total cpu time spent up to now is 100.6 secs Computing kpt #: 214 total cpu time spent up to now is 101.0 secs Computing kpt #: 215 total cpu time spent up to now is 101.4 secs Computing kpt #: 216 total cpu time spent up to now is 101.9 secs Computing kpt #: 217 total cpu time spent up to now is 102.3 secs Computing kpt #: 218 total cpu time spent up to now is 102.7 secs Computing kpt #: 219 total cpu time spent up to now is 103.2 secs Computing kpt #: 220 total cpu time spent up to now is 103.6 secs Computing kpt #: 221 total cpu time spent up to now is 104.1 secs Computing kpt #: 222 total cpu time spent up to now is 104.5 secs Computing kpt #: 223 total cpu time spent up to now is 105.0 secs Computing kpt #: 224 total cpu time spent up to now is 105.5 secs Computing kpt #: 225 total cpu time spent up to now is 105.9 secs Computing kpt #: 226 total cpu time spent up to now is 106.4 secs Computing kpt #: 227 total cpu time spent up to now is 106.9 secs Computing kpt #: 228 total cpu time spent up to now is 107.4 secs Computing kpt #: 229 total cpu time spent up to now is 107.9 secs Computing kpt #: 230 total cpu time spent up to now is 108.4 secs Computing kpt #: 231 total cpu time spent up to now is 108.8 secs Computing kpt #: 232 total cpu time spent up to now is 109.3 secs Computing kpt #: 233 total cpu time spent up to now is 109.8 secs Computing kpt #: 234 total cpu time spent up to now is 110.3 secs Computing kpt #: 235 total cpu time spent up to now is 110.8 secs Computing kpt #: 236 total cpu time spent up to now is 111.3 secs Computing kpt #: 237 total cpu time spent up to now is 111.8 secs Computing kpt #: 238 total cpu time spent up to now is 112.3 secs Computing kpt #: 239 total cpu time spent up to now is 112.8 secs Computing kpt #: 240 total cpu time spent up to now is 113.3 secs Computing kpt #: 241 total cpu time spent up to now is 113.8 secs Computing kpt #: 242 total cpu time spent up to now is 114.3 secs Computing kpt #: 243 total cpu time spent up to now is 114.8 secs Computing kpt #: 244 total cpu time spent up to now is 115.3 secs Computing kpt #: 245 total cpu time spent up to now is 115.8 secs Computing kpt #: 246 total cpu time spent up to now is 116.4 secs Computing kpt #: 247 total cpu time spent up to now is 116.9 secs Computing kpt #: 248 total cpu time spent up to now is 117.4 secs Computing kpt #: 249 total cpu time spent up to now is 117.9 secs Computing kpt #: 250 total cpu time spent up to now is 118.4 secs Computing kpt #: 251 total cpu time spent up to now is 119.0 secs Computing kpt #: 252 total cpu time spent up to now is 119.5 secs Computing kpt #: 253 total cpu time spent up to now is 120.1 secs Computing kpt #: 254 total cpu time spent up to now is 120.6 secs Computing kpt #: 255 total cpu time spent up to now is 121.1 secs Computing kpt #: 256 total cpu time spent up to now is 121.7 secs Computing kpt #: 257 total cpu time spent up to now is 122.2 secs Computing kpt #: 258 total cpu time spent up to now is 122.8 secs Computing kpt #: 259 total cpu time spent up to now is 123.3 secs Computing kpt #: 260 total cpu time spent up to now is 123.8 secs Computing kpt #: 261 total cpu time spent up to now is 124.4 secs Computing kpt #: 262 total cpu time spent up to now is 125.0 secs Computing kpt #: 263 total cpu time spent up to now is 125.5 secs Computing kpt #: 264 total cpu time spent up to now is 126.1 secs Computing kpt #: 265 total cpu time spent up to now is 126.6 secs Computing kpt #: 266 total cpu time spent up to now is 127.2 secs Computing kpt #: 267 total cpu time spent up to now is 127.8 secs Computing kpt #: 268 total cpu time spent up to now is 128.3 secs Computing kpt #: 269 total cpu time spent up to now is 128.9 secs Computing kpt #: 270 total cpu time spent up to now is 129.5 secs Computing kpt #: 271 total cpu time spent up to now is 130.1 secs Computing kpt #: 272 total cpu time spent up to now is 130.6 secs Computing kpt #: 273 total cpu time spent up to now is 131.2 secs Computing kpt #: 274 total cpu time spent up to now is 131.8 secs Computing kpt #: 275 total cpu time spent up to now is 132.3 secs Computing kpt #: 276 total cpu time spent up to now is 132.8 secs Computing kpt #: 277 total cpu time spent up to now is 133.3 secs Computing kpt #: 278 total cpu time spent up to now is 133.8 secs Computing kpt #: 279 total cpu time spent up to now is 134.3 secs Computing kpt #: 280 total cpu time spent up to now is 134.8 secs Computing kpt #: 281 total cpu time spent up to now is 135.2 secs Computing kpt #: 282 total cpu time spent up to now is 135.7 secs Computing kpt #: 283 total cpu time spent up to now is 136.2 secs Computing kpt #: 284 total cpu time spent up to now is 136.7 secs Computing kpt #: 285 total cpu time spent up to now is 137.1 secs Computing kpt #: 286 total cpu time spent up to now is 137.6 secs Computing kpt #: 287 total cpu time spent up to now is 138.1 secs Computing kpt #: 288 total cpu time spent up to now is 138.6 secs Computing kpt #: 289 total cpu time spent up to now is 139.0 secs Computing kpt #: 290 total cpu time spent up to now is 139.5 secs Computing kpt #: 291 total cpu time spent up to now is 139.9 secs Computing kpt #: 292 total cpu time spent up to now is 140.4 secs Computing kpt #: 293 total cpu time spent up to now is 140.8 secs Computing kpt #: 294 total cpu time spent up to now is 141.3 secs Computing kpt #: 295 total cpu time spent up to now is 141.7 secs Computing kpt #: 296 total cpu time spent up to now is 142.2 secs Computing kpt #: 297 total cpu time spent up to now is 142.6 secs Computing kpt #: 298 total cpu time spent up to now is 143.1 secs Computing kpt #: 299 total cpu time spent up to now is 143.5 secs Computing kpt #: 300 total cpu time spent up to now is 143.9 secs Computing kpt #: 301 total cpu time spent up to now is 144.3 secs Computing kpt #: 302 total cpu time spent up to now is 144.8 secs Computing kpt #: 303 total cpu time spent up to now is 145.2 secs Computing kpt #: 304 total cpu time spent up to now is 145.6 secs Computing kpt #: 305 total cpu time spent up to now is 146.0 secs Computing kpt #: 306 total cpu time spent up to now is 146.5 secs Computing kpt #: 307 total cpu time spent up to now is 146.9 secs Computing kpt #: 308 total cpu time spent up to now is 147.3 secs Computing kpt #: 309 total cpu time spent up to now is 147.8 secs Computing kpt #: 310 total cpu time spent up to now is 148.2 secs Computing kpt #: 311 total cpu time spent up to now is 148.7 secs Computing kpt #: 312 total cpu time spent up to now is 149.1 secs Computing kpt #: 313 total cpu time spent up to now is 149.5 secs Computing kpt #: 314 total cpu time spent up to now is 150.0 secs Computing kpt #: 315 total cpu time spent up to now is 150.5 secs Computing kpt #: 316 total cpu time spent up to now is 150.9 secs Computing kpt #: 317 total cpu time spent up to now is 151.4 secs Computing kpt #: 318 total cpu time spent up to now is 151.8 secs Computing kpt #: 319 total cpu time spent up to now is 152.3 secs Computing kpt #: 320 total cpu time spent up to now is 152.7 secs Computing kpt #: 321 total cpu time spent up to now is 153.2 secs Computing kpt #: 322 total cpu time spent up to now is 153.7 secs Computing kpt #: 323 total cpu time spent up to now is 154.1 secs Computing kpt #: 324 total cpu time spent up to now is 154.6 secs Computing kpt #: 325 total cpu time spent up to now is 155.1 secs Computing kpt #: 326 total cpu time spent up to now is 155.6 secs Computing kpt #: 327 total cpu time spent up to now is 156.0 secs Computing kpt #: 328 total cpu time spent up to now is 156.5 secs Computing kpt #: 329 total cpu time spent up to now is 157.0 secs Computing kpt #: 330 total cpu time spent up to now is 157.4 secs Computing kpt #: 331 total cpu time spent up to now is 157.9 secs Computing kpt #: 332 total cpu time spent up to now is 158.4 secs Computing kpt #: 333 total cpu time spent up to now is 158.9 secs Computing kpt #: 334 total cpu time spent up to now is 159.3 secs Computing kpt #: 335 total cpu time spent up to now is 159.8 secs Computing kpt #: 336 total cpu time spent up to now is 160.2 secs Computing kpt #: 337 total cpu time spent up to now is 160.7 secs Computing kpt #: 338 total cpu time spent up to now is 161.2 secs Computing kpt #: 339 total cpu time spent up to now is 161.6 secs Computing kpt #: 340 total cpu time spent up to now is 162.1 secs Computing kpt #: 341 total cpu time spent up to now is 162.6 secs Computing kpt #: 342 total cpu time spent up to now is 163.0 secs Computing kpt #: 343 total cpu time spent up to now is 163.5 secs Computing kpt #: 344 total cpu time spent up to now is 163.9 secs Computing kpt #: 345 total cpu time spent up to now is 164.4 secs Computing kpt #: 346 total cpu time spent up to now is 164.9 secs Computing kpt #: 347 total cpu time spent up to now is 165.3 secs Computing kpt #: 348 total cpu time spent up to now is 165.8 secs Computing kpt #: 349 total cpu time spent up to now is 166.3 secs Computing kpt #: 350 total cpu time spent up to now is 166.7 secs Computing kpt #: 351 total cpu time spent up to now is 167.2 secs Computing kpt #: 352 total cpu time spent up to now is 167.6 secs Computing kpt #: 353 total cpu time spent up to now is 168.1 secs Computing kpt #: 354 total cpu time spent up to now is 168.5 secs Computing kpt #: 355 total cpu time spent up to now is 169.0 secs Computing kpt #: 356 total cpu time spent up to now is 169.5 secs Computing kpt #: 357 total cpu time spent up to now is 169.9 secs Computing kpt #: 358 total cpu time spent up to now is 170.4 secs Computing kpt #: 359 total cpu time spent up to now is 170.8 secs Computing kpt #: 360 total cpu time spent up to now is 171.3 secs Computing kpt #: 361 total cpu time spent up to now is 171.8 secs Computing kpt #: 362 total cpu time spent up to now is 172.2 secs Computing kpt #: 363 total cpu time spent up to now is 172.7 secs Computing kpt #: 364 total cpu time spent up to now is 173.1 secs Computing kpt #: 365 total cpu time spent up to now is 173.6 secs Computing kpt #: 366 total cpu time spent up to now is 174.0 secs Computing kpt #: 367 total cpu time spent up to now is 174.5 secs Computing kpt #: 368 total cpu time spent up to now is 174.9 secs Computing kpt #: 369 total cpu time spent up to now is 175.4 secs Computing kpt #: 370 total cpu time spent up to now is 175.8 secs Computing kpt #: 371 total cpu time spent up to now is 176.2 secs Computing kpt #: 372 total cpu time spent up to now is 176.7 secs Computing kpt #: 373 total cpu time spent up to now is 177.2 secs Computing kpt #: 374 total cpu time spent up to now is 177.6 secs Computing kpt #: 375 total cpu time spent up to now is 178.0 secs Computing kpt #: 376 total cpu time spent up to now is 178.5 secs Computing kpt #: 377 total cpu time spent up to now is 178.9 secs Computing kpt #: 378 total cpu time spent up to now is 179.4 secs Computing kpt #: 379 total cpu time spent up to now is 179.8 secs Computing kpt #: 380 total cpu time spent up to now is 180.3 secs Computing kpt #: 381 total cpu time spent up to now is 180.7 secs Computing kpt #: 382 total cpu time spent up to now is 181.1 secs Computing kpt #: 383 total cpu time spent up to now is 181.5 secs Computing kpt #: 384 total cpu time spent up to now is 182.0 secs Computing kpt #: 385 total cpu time spent up to now is 182.4 secs Computing kpt #: 386 total cpu time spent up to now is 182.8 secs Computing kpt #: 387 total cpu time spent up to now is 183.3 secs Computing kpt #: 388 total cpu time spent up to now is 183.7 secs Computing kpt #: 389 total cpu time spent up to now is 184.1 secs Computing kpt #: 390 total cpu time spent up to now is 184.6 secs Computing kpt #: 391 total cpu time spent up to now is 185.0 secs Computing kpt #: 392 total cpu time spent up to now is 185.4 secs Computing kpt #: 393 total cpu time spent up to now is 185.9 secs Computing kpt #: 394 total cpu time spent up to now is 186.3 secs Computing kpt #: 395 total cpu time spent up to now is 186.8 secs Computing kpt #: 396 total cpu time spent up to now is 187.2 secs Computing kpt #: 397 total cpu time spent up to now is 187.7 secs Computing kpt #: 398 total cpu time spent up to now is 188.1 secs Computing kpt #: 399 total cpu time spent up to now is 188.5 secs Computing kpt #: 400 total cpu time spent up to now is 189.0 secs Computing kpt #: 401 total cpu time spent up to now is 189.4 secs Computing kpt #: 402 total cpu time spent up to now is 189.9 secs Computing kpt #: 403 total cpu time spent up to now is 190.3 secs Computing kpt #: 404 total cpu time spent up to now is 190.8 secs Computing kpt #: 405 total cpu time spent up to now is 191.3 secs Computing kpt #: 406 total cpu time spent up to now is 191.7 secs Computing kpt #: 407 total cpu time spent up to now is 192.2 secs Computing kpt #: 408 total cpu time spent up to now is 192.6 secs Computing kpt #: 409 total cpu time spent up to now is 193.1 secs Computing kpt #: 410 total cpu time spent up to now is 193.6 secs Computing kpt #: 411 total cpu time spent up to now is 194.0 secs Computing kpt #: 412 total cpu time spent up to now is 194.5 secs Computing kpt #: 413 total cpu time spent up to now is 195.0 secs Computing kpt #: 414 total cpu time spent up to now is 195.4 secs Computing kpt #: 415 total cpu time spent up to now is 195.9 secs Computing kpt #: 416 total cpu time spent up to now is 196.3 secs Computing kpt #: 417 total cpu time spent up to now is 196.8 secs Computing kpt #: 418 total cpu time spent up to now is 197.3 secs Computing kpt #: 419 total cpu time spent up to now is 197.7 secs Computing kpt #: 420 total cpu time spent up to now is 198.2 secs Computing kpt #: 421 total cpu time spent up to now is 198.6 secs Computing kpt #: 422 total cpu time spent up to now is 199.1 secs Computing kpt #: 423 total cpu time spent up to now is 199.6 secs Computing kpt #: 424 total cpu time spent up to now is 200.0 secs Computing kpt #: 425 total cpu time spent up to now is 200.6 secs Computing kpt #: 426 total cpu time spent up to now is 201.1 secs Computing kpt #: 427 total cpu time spent up to now is 201.7 secs Computing kpt #: 428 total cpu time spent up to now is 202.3 secs Computing kpt #: 429 total cpu time spent up to now is 202.9 secs Computing kpt #: 430 total cpu time spent up to now is 203.4 secs Computing kpt #: 431 total cpu time spent up to now is 204.0 secs Computing kpt #: 432 total cpu time spent up to now is 204.6 secs Computing kpt #: 433 total cpu time spent up to now is 205.1 secs Computing kpt #: 434 total cpu time spent up to now is 205.7 secs Computing kpt #: 435 total cpu time spent up to now is 206.3 secs Computing kpt #: 436 total cpu time spent up to now is 206.9 secs Computing kpt #: 437 total cpu time spent up to now is 207.5 secs Computing kpt #: 438 total cpu time spent up to now is 208.0 secs Computing kpt #: 439 total cpu time spent up to now is 208.6 secs Computing kpt #: 440 total cpu time spent up to now is 209.2 secs Computing kpt #: 441 total cpu time spent up to now is 209.7 secs Computing kpt #: 442 total cpu time spent up to now is 210.2 secs Computing kpt #: 443 total cpu time spent up to now is 210.8 secs Computing kpt #: 444 total cpu time spent up to now is 211.3 secs Computing kpt #: 445 total cpu time spent up to now is 211.8 secs Computing kpt #: 446 total cpu time spent up to now is 212.4 secs Computing kpt #: 447 total cpu time spent up to now is 212.9 secs Computing kpt #: 448 total cpu time spent up to now is 213.5 secs Computing kpt #: 449 total cpu time spent up to now is 214.0 secs Computing kpt #: 450 total cpu time spent up to now is 214.6 secs Computing kpt #: 451 total cpu time spent up to now is 215.1 secs Computing kpt #: 452 total cpu time spent up to now is 215.6 secs Computing kpt #: 453 total cpu time spent up to now is 216.2 secs Computing kpt #: 454 total cpu time spent up to now is 216.7 secs Computing kpt #: 455 total cpu time spent up to now is 217.2 secs Computing kpt #: 456 total cpu time spent up to now is 217.8 secs Computing kpt #: 457 total cpu time spent up to now is 218.2 secs Computing kpt #: 458 total cpu time spent up to now is 218.6 secs Computing kpt #: 459 total cpu time spent up to now is 219.1 secs Computing kpt #: 460 total cpu time spent up to now is 219.5 secs Computing kpt #: 461 total cpu time spent up to now is 219.9 secs Computing kpt #: 462 total cpu time spent up to now is 220.3 secs Computing kpt #: 463 total cpu time spent up to now is 220.8 secs Computing kpt #: 464 total cpu time spent up to now is 221.2 secs Computing kpt #: 465 total cpu time spent up to now is 221.6 secs Computing kpt #: 466 total cpu time spent up to now is 222.0 secs Computing kpt #: 467 total cpu time spent up to now is 222.5 secs Computing kpt #: 468 total cpu time spent up to now is 222.9 secs Computing kpt #: 469 total cpu time spent up to now is 223.3 secs Computing kpt #: 470 total cpu time spent up to now is 223.7 secs Computing kpt #: 471 total cpu time spent up to now is 224.2 secs Computing kpt #: 472 total cpu time spent up to now is 224.6 secs Computing kpt #: 473 total cpu time spent up to now is 225.0 secs Computing kpt #: 474 total cpu time spent up to now is 225.5 secs Computing kpt #: 475 total cpu time spent up to now is 225.9 secs Computing kpt #: 476 total cpu time spent up to now is 226.3 secs Computing kpt #: 477 total cpu time spent up to now is 226.7 secs Computing kpt #: 478 total cpu time spent up to now is 227.2 secs Computing kpt #: 479 total cpu time spent up to now is 227.6 secs Computing kpt #: 480 total cpu time spent up to now is 228.0 secs Computing kpt #: 481 total cpu time spent up to now is 228.4 secs Computing kpt #: 482 total cpu time spent up to now is 228.9 secs Computing kpt #: 483 total cpu time spent up to now is 229.3 secs Computing kpt #: 484 total cpu time spent up to now is 229.7 secs Computing kpt #: 485 total cpu time spent up to now is 230.1 secs Computing kpt #: 486 total cpu time spent up to now is 230.6 secs Computing kpt #: 487 total cpu time spent up to now is 231.0 secs Computing kpt #: 488 total cpu time spent up to now is 231.4 secs ethr = 2.50E-11, avg # of iterations = 15.5 total cpu time spent up to now is 231.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2241 PWs) bands (ev): -8.8279 -8.8279 -8.2917 -8.2917 -1.1905 -1.1905 -0.7284 -0.7284 1.9231 1.9231 2.2015 2.2015 3.0447 3.0447 3.4486 3.4486 3.6272 3.6272 4.0693 4.0693 5.1539 5.1539 6.6267 6.6267 6.7016 6.7016 7.0617 7.0617 7.3272 7.3272 7.5673 7.5673 8.0497 8.0497 8.1056 8.1056 8.3452 8.3452 8.4648 8.4648 9.8825 9.8825 10.2745 10.2745 12.3949 12.3949 12.4528 12.4528 k = 0.0100-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.8272 -8.8272 -8.2911 -8.2911 -1.1920 -1.1920 -0.7307 -0.7307 1.9226 1.9226 2.2015 2.2015 3.0450 3.0450 3.4505 3.4505 3.6273 3.6273 4.0701 4.0701 5.1533 5.1533 6.6243 6.6243 6.7024 6.7024 7.0620 7.0620 7.3277 7.3277 7.5672 7.5672 8.0412 8.0412 8.0807 8.0807 8.3643 8.3643 8.4813 8.4813 9.8857 9.8857 10.2751 10.2751 12.3935 12.3935 12.4514 12.4514 k = 0.0200-0.0000-0.0000 ( 2233 PWs) bands (ev): -8.8251 -8.8251 -8.2895 -8.2895 -1.1965 -1.1965 -0.7374 -0.7374 1.9214 1.9214 2.2016 2.2016 3.0466 3.0466 3.4560 3.4560 3.6278 3.6278 4.0725 4.0725 5.1518 5.1518 6.6174 6.6174 6.7047 6.7047 7.0630 7.0630 7.3294 7.3294 7.5667 7.5667 8.0175 8.0175 8.0241 8.0241 8.4047 8.4047 8.5280 8.5280 9.8955 9.8955 10.2771 10.2771 12.3893 12.3893 12.4470 12.4470 k = 0.0300-0.0000-0.0000 ( 2237 PWs) bands (ev): -8.8215 -8.8215 -8.2867 -8.2867 -1.2040 -1.2040 -0.7486 -0.7486 1.9191 1.9191 2.2016 2.2016 3.0492 3.0492 3.4650 3.4650 3.6285 3.6285 4.0764 4.0764 5.1493 5.1493 6.6071 6.6071 6.7072 6.7072 7.0644 7.0644 7.3320 7.3320 7.5655 7.5655 7.9536 7.9536 7.9860 7.9860 8.4496 8.4496 8.5960 8.5960 9.9117 9.9117 10.2803 10.2803 12.3823 12.3823 12.4398 12.4398 k = 0.0400-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.8165 -8.8165 -8.2829 -8.2829 -1.2144 -1.2144 -0.7641 -0.7641 1.9160 1.9160 2.2014 2.2014 3.0528 3.0528 3.4775 3.4775 3.6295 3.6295 4.0818 4.0818 5.1457 5.1457 6.5940 6.5940 6.7094 6.7094 7.0662 7.0662 7.3357 7.3357 7.5631 7.5631 7.8815 7.8815 7.9480 7.9480 8.4957 8.4957 8.6760 8.6760 9.9343 9.9343 10.2849 10.2849 12.3723 12.3723 12.4298 12.4298 k = 0.0500-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.8101 -8.8101 -8.2780 -8.2780 -1.2278 -1.2278 -0.7838 -0.7838 1.9121 1.9121 2.2008 2.2008 3.0577 3.0577 3.4935 3.4935 3.6309 3.6309 4.0889 4.0889 5.1412 5.1412 6.5790 6.5790 6.7108 6.7108 7.0684 7.0684 7.3408 7.3408 7.5583 7.5583 7.8110 7.8110 7.9077 7.9077 8.5423 8.5423 8.7622 8.7622 9.9631 9.9631 10.2911 10.2911 12.3595 12.3595 12.4173 12.4173 k = 0.0600-0.0000-0.0000 ( 2239 PWs) bands (ev): -8.8023 -8.8023 -8.2720 -8.2720 -1.2439 -1.2439 -0.8077 -0.8077 1.9073 1.9073 2.1999 2.1999 3.0638 3.0638 3.5128 3.5128 3.6326 3.6326 4.0974 4.0974 5.1357 5.1357 6.5623 6.5623 6.7110 6.7110 7.0706 7.0706 7.3470 7.3470 7.5488 7.5488 7.7463 7.7463 7.8671 7.8671 8.5889 8.5889 8.8515 8.8515 9.9978 9.9978 10.2988 10.2988 12.3435 12.3435 12.4023 12.4023 k = 0.0700-0.0000-0.0000 ( 2235 PWs) bands (ev): -8.7931 -8.7931 -8.2650 -8.2650 -1.2629 -1.2629 -0.8355 -0.8355 1.9016 1.9016 2.1985 2.1985 3.0713 3.0713 3.5352 3.5352 3.6347 3.6347 4.1075 4.1075 5.1292 5.1292 6.5444 6.5444 6.7100 6.7100 7.0727 7.0727 7.3544 7.3544 7.5298 7.5298 7.6931 7.6931 7.8274 7.8274 8.6350 8.6350 8.9423 8.9423 10.0382 10.0382 10.3082 10.3082 12.3244 12.3244 12.3850 12.3850 k = 0.0800-0.0000-0.0000 ( 2235 PWs) bands (ev): -8.7825 -8.7825 -8.2570 -8.2570 -1.2844 -1.2844 -0.8671 -0.8671 1.8950 1.8950 2.1963 2.1963 3.0804 3.0804 3.5606 3.5606 3.6373 3.6373 4.1190 4.1190 5.1218 5.1218 6.5254 6.5254 6.7079 6.7079 7.0741 7.0741 7.3632 7.3632 7.4960 7.4960 7.6571 7.6571 7.7897 7.7897 8.6802 8.6802 9.0334 9.0334 10.0838 10.0838 10.3194 10.3194 12.3021 12.3021 12.3656 12.3656 k = 0.0900-0.0000-0.0000 ( 2237 PWs) bands (ev): -8.7706 -8.7706 -8.2480 -8.2480 -1.3086 -1.3086 -0.9024 -0.9024 1.8875 1.8875 2.1930 2.1930 3.0910 3.0910 3.5887 3.5887 3.6404 3.6404 4.1318 4.1318 5.1134 5.1134 6.5053 6.5053 6.7047 6.7047 7.0743 7.0743 7.3730 7.3730 7.4490 7.4490 7.6373 7.6373 7.7550 7.7550 8.7242 8.7242 9.1242 9.1242 10.1341 10.1341 10.3328 10.3328 12.2766 12.2766 12.3441 12.3441 k = 0.1000-0.0000-0.0000 ( 2235 PWs) bands (ev): -8.7573 -8.7573 -8.2379 -8.2379 -1.3352 -1.3352 -0.9410 -0.9410 1.8793 1.8793 2.1887 2.1887 3.1034 3.1034 3.6188 3.6188 3.6447 3.6447 4.1459 4.1459 5.1040 5.1040 6.4845 6.4845 6.7007 6.7007 7.0723 7.0723 7.3834 7.3834 7.3970 7.3970 7.6262 7.6262 7.7245 7.7245 8.7670 8.7670 9.2138 9.2138 10.1887 10.1887 10.3486 10.3486 12.2482 12.2482 12.3208 12.3208 k = 0.1100-0.0000-0.0000 ( 2237 PWs) bands (ev): -8.7427 -8.7427 -8.2270 -8.2270 -1.3642 -1.3642 -0.9828 -0.9828 1.8702 1.8702 2.1830 2.1830 3.1176 3.1176 3.6428 3.6428 3.6580 3.6580 4.1614 4.1614 5.0937 5.0937 6.4629 6.4629 6.6961 6.6961 7.0666 7.0666 7.3446 7.3446 7.3960 7.3960 7.6178 7.6178 7.7002 7.7002 8.8086 8.8086 9.3018 9.3018 10.2466 10.2466 10.3673 10.3673 12.2165 12.2165 12.2957 12.2957 k = 0.1200-0.0000-0.0000 ( 2235 PWs) bands (ev): -8.7268 -8.7268 -8.2151 -8.2151 -1.3954 -1.3954 -1.0276 -1.0276 1.8603 1.8603 2.1759 2.1759 3.1338 3.1338 3.6497 3.6497 3.6912 3.6912 4.1781 4.1781 5.0825 5.0825 6.4406 6.4406 6.6910 6.6910 7.0551 7.0551 7.2990 7.2990 7.4076 7.4076 7.6080 7.6080 7.6840 7.6840 8.8491 8.8491 9.3875 9.3875 10.3069 10.3069 10.3896 10.3896 12.1819 12.1819 12.2687 12.2687 k = 0.1300-0.0000-0.0000 ( 2235 PWs) bands (ev): -8.7097 -8.7097 -8.2023 -8.2023 -1.4287 -1.4287 -1.0751 -1.0751 1.8496 1.8496 2.1672 2.1672 3.1519 3.1519 3.6549 3.6549 3.7286 3.7286 4.1960 4.1960 5.0704 5.0704 6.4176 6.4176 6.6857 6.6857 7.0351 7.0351 7.2628 7.2628 7.4186 7.4186 7.5963 7.5963 7.6766 7.6766 8.8887 8.8887 9.4700 9.4700 10.3670 10.3670 10.4179 10.4179 12.1445 12.1445 12.2400 12.2400 k = 0.1400-0.0000-0.0000 ( 2243 PWs) bands (ev): -8.6913 -8.6913 -8.1887 -8.1887 -1.4639 -1.4639 -1.1251 -1.1251 1.8382 1.8382 2.1567 2.1567 3.1721 3.1721 3.6603 3.6603 3.7681 3.7681 4.2150 4.2150 5.0573 5.0573 6.3940 6.3940 6.6802 6.6802 7.0052 7.0052 7.2383 7.2383 7.4273 7.4273 7.5856 7.5856 7.6756 7.6756 8.9275 8.9275 9.5489 9.5489 10.4193 10.4193 10.4596 10.4596 12.1045 12.1045 12.2095 12.2095 k = 0.1500-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.6718 -8.6718 -8.1743 -8.1743 -1.5010 -1.5010 -1.1774 -1.1774 1.8261 1.8261 2.1446 2.1446 3.1944 3.1944 3.6662 3.6662 3.8094 3.8094 4.2353 4.2353 5.0435 5.0435 6.3697 6.3697 6.6750 6.6750 6.9667 6.9667 7.2245 7.2245 7.4318 7.4318 7.5800 7.5800 7.6788 7.6788 8.9659 8.9659 9.6237 9.6237 10.4596 10.4596 10.5185 10.5185 12.0620 12.0620 12.1774 12.1774 k = 0.1600-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.6511 -8.6511 -8.1591 -8.1591 -1.5399 -1.5399 -1.2318 -1.2318 1.8134 1.8134 2.1306 2.1306 3.2188 3.2188 3.6725 3.6725 3.8523 3.8523 4.2565 4.2565 5.0288 5.0288 6.3448 6.3448 6.6696 6.6696 6.9225 6.9225 7.2188 7.2188 7.4308 7.4308 7.5820 7.5820 7.6849 7.6849 9.0040 9.0040 9.6938 9.6938 10.4980 10.4980 10.5843 10.5843 12.0173 12.0173 12.1436 12.1436 k = 0.1700-0.0000-0.0000 ( 2237 PWs) bands (ev): -8.6293 -8.6293 -8.1432 -8.1432 -1.5802 -1.5802 -1.2879 -1.2879 1.8001 1.8001 2.1152 2.1152 3.2452 3.2452 3.6795 3.6795 3.8965 3.8965 4.2787 4.2787 5.0133 5.0133 6.3193 6.3193 6.6642 6.6642 6.8757 6.8757 7.2185 7.2185 7.4248 7.4248 7.5918 7.5918 7.6930 7.6930 9.0420 9.0420 9.7589 9.7589 10.5393 10.5393 10.6521 10.6521 11.9705 11.9705 12.1082 12.1082 k = 0.1800-0.0000-0.0000 ( 2233 PWs) bands (ev): -8.6064 -8.6064 -8.1267 -8.1267 -1.6220 -1.6220 -1.3456 -1.3456 1.7863 1.7863 2.0980 2.0980 3.2736 3.2736 3.6869 3.6869 3.9416 3.9416 4.3019 4.3019 4.9970 4.9970 6.2932 6.2932 6.6583 6.6583 6.8283 6.8283 7.2220 7.2220 7.4158 7.4158 7.6077 7.6077 7.7028 7.7028 9.0802 9.0802 9.8189 9.8189 10.5845 10.5845 10.7202 10.7202 11.9219 11.9219 12.0712 12.0712 k = 0.1900-0.0000-0.0000 ( 2243 PWs) bands (ev): -8.5825 -8.5825 -8.1096 -8.1096 -1.6651 -1.6651 -1.4046 -1.4046 1.7720 1.7720 2.0792 2.0792 3.3039 3.3039 3.6949 3.6949 3.9876 3.9876 4.3260 4.3260 4.9799 4.9799 6.2664 6.2664 6.6510 6.6510 6.7820 6.7820 7.2280 7.2280 7.4056 7.4056 7.6278 7.6278 7.7137 7.7137 9.1187 9.1187 9.8735 9.8735 10.6337 10.6337 10.7880 10.7880 11.8715 11.8715 12.0326 12.0326 k = 0.2000-0.0000-0.0000 ( 2243 PWs) bands (ev): -8.5577 -8.5577 -8.0920 -8.0920 -1.7093 -1.7093 -1.4647 -1.4647 1.7573 1.7573 2.0590 2.0590 3.3359 3.3359 3.7036 3.7036 4.0342 4.0342 4.3508 4.3508 4.9621 4.9621 6.2391 6.2391 6.6404 6.6404 6.7395 6.7395 7.2361 7.2361 7.3958 7.3958 7.6510 7.6510 7.7263 7.7263 9.1577 9.1577 9.9233 9.9233 10.6869 10.6869 10.8549 10.8549 11.8197 11.8197 11.9927 11.9927 k = 0.2100-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.5319 -8.5319 -8.0739 -8.0739 -1.7544 -1.7544 -1.5257 -1.5257 1.7422 1.7422 2.0375 2.0375 3.3697 3.3697 3.7128 3.7128 4.0812 4.0812 4.3765 4.3765 4.9436 4.9436 6.2113 6.2113 6.6226 6.6226 6.7050 6.7050 7.2458 7.2458 7.3873 7.3873 7.6761 7.6761 7.7404 7.7404 9.1975 9.1975 9.9684 9.9684 10.7436 10.7436 10.9207 10.9207 11.7666 11.7666 11.9514 11.9514 k = 0.2200-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.5053 -8.5053 -8.0554 -8.0554 -1.8004 -1.8004 -1.5873 -1.5873 1.7268 1.7268 2.0148 2.0148 3.4051 3.4051 3.7227 3.7227 4.1285 4.1285 4.4030 4.4030 4.9244 4.9244 6.1829 6.1829 6.5935 6.5935 6.6822 6.6822 7.2567 7.2567 7.3809 7.3809 7.7024 7.7024 7.7560 7.7560 9.2381 9.2381 10.0094 10.0094 10.8032 10.8032 10.9850 10.9850 11.7125 11.7125 11.9089 11.9089 k = 0.2300-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.4778 -8.4778 -8.0367 -8.0367 -1.8471 -1.8471 -1.6494 -1.6494 1.7112 1.7112 1.9911 1.9911 3.4420 3.4420 3.7331 3.7331 4.1758 4.1758 4.4301 4.4301 4.9046 4.9046 6.1540 6.1540 6.5560 6.5560 6.6684 6.6684 7.2687 7.2687 7.3770 7.3770 7.7290 7.7290 7.7736 7.7736 9.2796 9.2796 10.0469 10.0469 10.8653 10.8653 11.0475 11.0475 11.6574 11.6574 11.8652 11.8652 k = 0.2400-0.0000-0.0000 ( 2249 PWs) bands (ev): -8.4497 -8.4497 -8.0177 -8.0177 -1.8943 -1.8943 -1.7117 -1.7117 1.6955 1.6955 1.9666 1.9666 3.4802 3.4802 3.7441 3.7441 4.2229 4.2229 4.4580 4.4580 4.8843 4.8843 6.1246 6.1246 6.5147 6.5147 6.6582 6.6582 7.2814 7.2814 7.3760 7.3760 7.7551 7.7551 7.7936 7.7936 9.3220 9.3220 10.0815 10.0815 10.9293 10.9293 11.1081 11.1081 11.6018 11.6018 11.8204 11.8204 k = 0.2500-0.0000-0.0000 ( 2249 PWs) bands (ev): -8.4209 -8.4209 -7.9985 -7.9985 -1.9418 -1.9418 -1.7739 -1.7739 1.6797 1.6797 1.9414 1.9414 3.5197 3.5197 3.7558 3.7558 4.2698 4.2698 4.4863 4.4863 4.8635 4.8635 6.0948 6.0948 6.4724 6.4724 6.6489 6.6489 7.2948 7.2948 7.3783 7.3783 7.7798 7.7798 7.8170 7.8170 9.3657 9.3657 10.1137 10.1137 10.9947 10.9947 11.1668 11.1668 11.5458 11.5458 11.7747 11.7747 k = 0.2600-0.0000-0.0000 ( 2241 PWs) bands (ev): -8.3916 -8.3916 -7.9794 -7.9794 -1.9895 -1.9895 -1.8359 -1.8359 1.6640 1.6640 1.9158 1.9158 3.5605 3.5605 3.7681 3.7681 4.3162 4.3162 4.5152 4.5152 4.8423 4.8423 6.0646 6.0646 6.4303 6.4303 6.6394 6.6394 7.3087 7.3087 7.3841 7.3841 7.8027 7.8027 7.8436 7.8436 9.4106 9.4106 10.1440 10.1440 11.0612 11.0612 11.2237 11.2237 11.4899 11.4899 11.7282 11.7282 k = 0.2700-0.0000-0.0000 ( 2237 PWs) bands (ev): -8.3617 -8.3617 -7.9602 -7.9602 -2.0372 -2.0372 -1.8974 -1.8974 1.6484 1.6484 1.8899 1.8899 3.6022 3.6022 3.7811 3.7811 4.3618 4.3618 4.5444 4.5444 4.8209 4.8209 6.0340 6.0340 6.3887 6.3887 6.6285 6.6285 7.3230 7.3230 7.3931 7.3931 7.8246 7.8246 7.8726 7.8726 9.4568 9.4568 10.1727 10.1727 11.1283 11.1283 11.2786 11.2786 11.4341 11.4341 11.6811 11.6811 k = 0.2800-0.0000-0.0000 ( 2237 PWs) bands (ev): -8.3314 -8.3314 -7.9412 -7.9412 -2.0848 -2.0848 -1.9582 -1.9582 1.6329 1.6329 1.8638 1.8638 3.6448 3.6448 3.7947 3.7947 4.4063 4.4063 4.5735 4.5735 4.7996 4.7996 6.0030 6.0030 6.3480 6.3480 6.6162 6.6162 7.3379 7.3379 7.4052 7.4052 7.8461 7.8461 7.9029 7.9029 9.5041 9.5041 10.2001 10.2001 11.1956 11.1956 11.3314 11.3314 11.3791 11.3791 11.6335 11.6335 k = 0.2900-0.0000-0.0000 ( 2239 PWs) bands (ev): -8.3009 -8.3009 -7.9225 -7.9225 -2.1321 -2.1321 -2.0182 -2.0182 1.6177 1.6177 1.8377 1.8377 3.6881 3.6881 3.8088 3.8088 4.4497 4.4497 4.6022 4.6022 4.7787 4.7787 5.9717 5.9717 6.3085 6.3085 6.6022 6.6022 7.3535 7.3535 7.4197 7.4197 7.8677 7.8677 7.9341 7.9341 9.5526 9.5526 10.2263 10.2263 11.2597 11.2597 11.3281 11.3281 11.3824 11.3824 11.5861 11.5861 k = 0.3000-0.0000-0.0000 ( 2235 PWs) bands (ev): -8.2701 -8.2701 -7.9041 -7.9041 -2.1790 -2.1790 -2.0770 -2.0770 1.6028 1.6028 1.8118 1.8118 3.7322 3.7322 3.8237 3.8237 4.4916 4.4916 4.6293 4.6293 4.7598 4.7598 5.9402 5.9402 6.2701 6.2701 6.5864 6.5864 7.3702 7.3702 7.4363 7.4363 7.8896 7.8896 7.9655 7.9655 9.6023 9.6023 10.2518 10.2518 11.2605 11.2605 11.3421 11.3421 11.4295 11.4295 11.5407 11.5407 k = 0.3100-0.0000-0.0000 ( 2239 PWs) bands (ev): -8.2391 -8.2391 -7.8861 -7.8861 -2.2251 -2.2251 -2.1345 -2.1345 1.5883 1.5883 1.7860 1.7860 3.7767 3.7767 3.8395 3.8395 4.5314 4.5314 4.6515 4.6515 4.7460 4.7460 5.9084 5.9084 6.2331 6.2331 6.5688 6.5688 7.3879 7.3879 7.4542 7.4542 7.9119 7.9119 7.9969 7.9969 9.6531 9.6531 10.2763 10.2763 11.2104 11.2104 11.4084 11.4084 11.4571 11.4571 11.5135 11.5135 k = 0.3200-0.0000-0.0000 ( 2231 PWs) bands (ev): -8.2081 -8.2081 -7.8687 -7.8687 -2.2705 -2.2705 -2.1906 -2.1906 1.5743 1.5743 1.7608 1.7608 3.8208 3.8208 3.8566 3.8566 4.5685 4.5685 4.6616 4.6616 4.7452 4.7452 5.8767 5.8767 6.1978 6.1978 6.5496 6.5496 7.4068 7.4068 7.4732 7.4732 7.9347 7.9347 8.0280 8.0280 9.7048 9.7048 10.2999 10.2999 11.1591 11.1591 11.4268 11.4268 11.4780 11.4780 11.5438 11.5438 k = 0.3300-0.0000-0.0000 ( 2231 PWs) bands (ev): -8.1772 -8.1772 -7.8521 -7.8521 -2.3148 -2.3148 -2.2449 -2.2449 1.5609 1.5609 1.7361 1.7361 3.8601 3.8601 3.8797 3.8797 4.6003 4.6003 4.6577 4.6577 4.7614 4.7614 5.8448 5.8448 6.1640 6.1640 6.5287 6.5287 7.4266 7.4266 7.4927 7.4927 7.9577 7.9577 8.0585 8.0585 9.7572 9.7572 10.3227 10.3227 11.1087 11.1087 11.3807 11.3807 11.5482 11.5482 11.5903 11.5903 k = 0.3400-0.0000-0.0000 ( 2226 PWs) bands (ev): -8.1465 -8.1465 -7.8362 -7.8362 -2.3580 -2.3580 -2.2972 -2.2972 1.5480 1.5480 1.7121 1.7121 3.8840 3.8840 3.9191 3.9191 4.6143 4.6143 4.6595 4.6595 4.7872 4.7872 5.8129 5.8129 6.1321 6.1321 6.5063 6.5063 7.4471 7.4471 7.5125 7.5125 7.9810 7.9810 8.0882 8.0882 9.8103 9.8103 10.3446 10.3446 11.0601 11.0601 11.3327 11.3327 11.6164 11.6164 11.6425 11.6425 k = 0.3500-0.0000-0.0000 ( 2222 PWs) bands (ev): -8.1161 -8.1161 -7.8213 -7.8213 -2.3997 -2.3997 -2.3475 -2.3475 1.5359 1.5359 1.6888 1.6888 3.9029 3.9029 3.9644 3.9644 4.6017 4.6017 4.6812 4.6812 4.8169 4.8169 5.7811 5.7811 6.1023 6.1023 6.4826 6.4826 7.4683 7.4683 7.5324 7.5324 8.0044 8.0044 8.1169 8.1169 9.8634 9.8634 10.3657 10.3657 11.0137 11.0137 11.2846 11.2846 11.6754 11.6754 11.7061 11.7061 k = 0.3600-0.0000-0.0000 ( 2218 PWs) bands (ev): -8.0861 -8.0861 -7.8073 -7.8073 -2.4399 -2.4399 -2.3955 -2.3955 1.5245 1.5245 1.6665 1.6665 3.9215 3.9215 4.0107 4.0107 4.5805 4.5805 4.7065 4.7065 4.8483 4.8483 5.7494 5.7494 6.0750 6.0750 6.4575 6.4575 7.4896 7.4896 7.5519 7.5519 8.0280 8.0280 8.1444 8.1444 9.9166 9.9166 10.3854 10.3854 10.9696 10.9696 11.2367 11.2367 11.7276 11.7276 11.7791 11.7791 k = 0.3700-0.0000-0.0000 ( 2214 PWs) bands (ev): -8.0567 -8.0567 -7.7946 -7.7946 -2.4784 -2.4784 -2.4410 -2.4410 1.5139 1.5139 1.6449 1.6449 3.9403 3.9403 4.0573 4.0573 4.5571 4.5571 4.7296 4.7296 4.8806 4.8806 5.7180 5.7180 6.0504 6.0504 6.4315 6.4315 7.5110 7.5110 7.5709 7.5709 8.0516 8.0516 8.1704 8.1704 9.9694 9.9694 10.4039 10.4039 10.9284 10.9284 11.1894 11.1894 11.7793 11.7793 11.8559 11.8559 k = 0.3800-0.0000-0.0000 ( 2212 PWs) bands (ev): -8.0279 -8.0279 -7.7831 -7.7831 -2.5150 -2.5150 -2.4838 -2.4838 1.5042 1.5042 1.6244 1.6244 3.9596 3.9596 4.1040 4.1040 4.5326 4.5326 4.7491 4.7491 4.9135 4.9135 5.6868 5.6868 6.0288 6.0288 6.4044 6.4044 7.5321 7.5321 7.5892 7.5892 8.0750 8.0750 8.1947 8.1947 10.0213 10.0213 10.4211 10.4211 10.8901 10.8901 11.1431 11.1431 11.8322 11.8322 11.9351 11.9351 k = 0.3900-0.0000-0.0000 ( 2216 PWs) bands (ev): -8.0000 -8.0000 -7.7731 -7.7731 -2.5495 -2.5495 -2.5239 -2.5239 1.4953 1.4953 1.6049 1.6049 3.9793 3.9793 4.1506 4.1506 4.5075 4.5075 4.7644 4.7644 4.9467 4.9467 5.6558 5.6558 6.0105 6.0105 6.3765 6.3765 7.5526 7.5526 7.6066 7.6066 8.0982 8.0982 8.2170 8.2170 10.0721 10.0721 10.4366 10.4366 10.8553 10.8553 11.0978 11.0978 11.8871 11.8871 12.0166 12.0166 k = 0.4000-0.0000-0.0000 ( 2208 PWs) bands (ev): -7.9729 -7.9729 -7.7645 -7.7645 -2.5818 -2.5818 -2.5609 -2.5609 1.4875 1.4875 1.5866 1.5866 3.9996 3.9996 4.1969 4.1969 4.4824 4.4824 4.7751 4.7751 4.9801 4.9801 5.6250 5.6250 5.9960 5.9960 6.3481 6.3481 7.5725 7.5725 7.6228 7.6228 8.1211 8.1211 8.2373 8.2373 10.1213 10.1213 10.4504 10.4504 10.8241 10.8241 11.0541 11.0541 11.9447 11.9447 12.1004 12.1004 k = 0.4100-0.0000-0.0000 ( 2210 PWs) bands (ev): -7.9469 -7.9469 -7.7575 -7.7575 -2.6115 -2.6115 -2.5949 -2.5949 1.4807 1.4807 1.5695 1.5695 4.0202 4.0202 4.2426 4.2426 4.4572 4.4572 4.7808 4.7808 5.0136 5.0136 5.5944 5.5944 5.9854 5.9854 6.3192 6.3192 7.5913 7.5913 7.6379 7.6379 8.1434 8.1434 8.2551 8.2551 10.1684 10.1684 10.4620 10.4620 10.7967 10.7967 11.0119 11.0119 12.0053 12.0053 12.1866 12.1866 k = 0.4200-0.0000-0.0000 ( 2210 PWs) bands (ev): -7.9220 -7.9220 -7.7522 -7.7522 -2.6387 -2.6387 -2.6256 -2.6256 1.4750 1.4750 1.5534 1.5534 4.0414 4.0414 4.2874 4.2874 4.4325 4.4325 4.7814 4.7814 5.0473 5.0473 5.5640 5.5640 5.9789 5.9789 6.2899 6.2899 7.6091 7.6091 7.6513 7.6513 8.1651 8.1651 8.2704 8.2704 10.2130 10.2130 10.4716 10.4716 10.7737 10.7737 10.9717 10.9717 12.0694 12.0694 12.2750 12.2750 k = 0.4300-0.0000-0.0000 ( 2216 PWs) bands (ev): -7.8984 -7.8984 -7.7487 -7.7487 -2.6631 -2.6631 -2.6530 -2.6530 1.4704 1.4704 1.5386 1.5386 4.0630 4.0630 4.3297 4.3297 4.4096 4.4096 4.7769 4.7769 5.0809 5.0809 5.5334 5.5334 5.9768 5.9768 6.2604 6.2604 7.6255 7.6255 7.6632 7.6632 8.1859 8.1859 8.2829 8.2829 10.2548 10.2548 10.4788 10.4788 10.7548 10.7548 10.9336 10.9336 12.1373 12.1373 12.3658 12.3658 k = 0.4400-0.0000-0.0000 ( 2220 PWs) bands (ev): -7.8761 -7.8761 -7.7470 -7.7470 -2.6846 -2.6846 -2.6769 -2.6769 1.4669 1.4669 1.5252 1.5252 4.0850 4.0850 4.3578 4.3578 4.4001 4.4001 4.7673 4.7673 5.1145 5.1145 5.5027 5.5027 5.9791 5.9791 6.2310 6.2310 7.6405 7.6405 7.6733 7.6733 8.2057 8.2057 8.2926 8.2926 10.2934 10.2934 10.4834 10.4834 10.7404 10.7404 10.8979 10.8979 12.2092 12.2092 12.4589 12.4589 k = 0.4500-0.0000-0.0000 ( 2220 PWs) bands (ev): -7.8554 -7.8554 -7.7471 -7.7471 -2.7031 -2.7031 -2.6973 -2.6973 1.4647 1.4647 1.5131 1.5131 4.1075 4.1075 4.3463 4.3463 4.4296 4.4296 4.7529 4.7529 5.1481 5.1481 5.4719 5.4719 5.9854 5.9854 6.2019 6.2019 7.6539 7.6539 7.6816 7.6816 8.2243 8.2243 8.2996 8.2996 10.3286 10.3286 10.4854 10.4854 10.7305 10.7305 10.8649 10.8649 12.2853 12.2853 12.5540 12.5540 k = 0.4600-0.0000-0.0000 ( 2222 PWs) bands (ev): -7.8363 -7.8363 -7.7492 -7.7492 -2.7183 -2.7183 -2.7141 -2.7141 1.4636 1.4636 1.5022 1.5022 4.1304 4.1304 4.3234 4.3234 4.4694 4.4694 4.7340 4.7340 5.1815 5.1815 5.4408 5.4408 5.9958 5.9958 6.1732 6.1732 7.6655 7.6655 7.6879 7.6879 8.2414 8.2414 8.3036 8.3036 10.3602 10.3602 10.4846 10.4846 10.7251 10.7251 10.8349 10.8349 12.3657 12.3657 12.6511 12.6511 k = 0.4700-0.0000-0.0000 ( 2222 PWs) bands (ev): -7.8189 -7.8189 -7.7533 -7.7533 -2.7302 -2.7302 -2.7273 -2.7273 1.4639 1.4639 1.4928 1.4928 4.1536 4.1536 4.2990 4.2990 4.5096 4.5096 4.7110 4.7110 5.2148 5.2148 5.4094 5.4094 6.0096 6.0096 6.1453 6.1453 7.6753 7.6753 7.6923 7.6923 8.2570 8.2570 8.3048 8.3048 10.3881 10.3881 10.4807 10.4807 10.7244 10.7244 10.8080 10.8080 12.4503 12.4503 12.7498 12.7498 k = 0.4800-0.0000-0.0000 ( 2222 PWs) bands (ev): -7.8032 -7.8032 -7.7594 -7.7594 -2.7387 -2.7387 -2.7368 -2.7368 1.4654 1.4654 1.4846 1.4846 4.1772 4.1772 4.2744 4.2744 4.5486 4.5486 4.6842 4.6842 5.2479 5.2479 5.3777 5.3777 6.0266 6.0266 6.1183 6.1183 7.6832 7.6832 7.6946 7.6946 8.2707 8.2707 8.3032 8.3032 10.4123 10.4123 10.4738 10.4738 10.7281 10.7281 10.7846 10.7846 12.5390 12.5390 12.8488 12.8488 k = 0.4900-0.0000-0.0000 ( 2226 PWs) bands (ev): -7.7893 -7.7893 -7.7674 -7.7674 -2.7436 -2.7436 -2.7427 -2.7427 1.4682 1.4682 1.4778 1.4778 4.2012 4.2012 4.2498 4.2498 4.5860 4.5860 4.6542 4.6542 5.2808 5.2808 5.3457 5.3457 6.0463 6.0463 6.0926 6.0926 7.6891 7.6891 7.6949 7.6949 8.2823 8.2823 8.2988 8.2988 10.4329 10.4329 10.4635 10.4635 10.7363 10.7363 10.7647 10.7647 12.6315 12.6315 12.8261 12.8261 k = 0.5000-0.0000-0.0000 ( 2228 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7451 -2.7451 -2.7449 -2.7449 1.4722 1.4722 1.4725 1.4725 4.2252 4.2252 4.2254 4.2254 4.6212 4.6212 4.6214 4.6214 5.3133 5.3133 5.3134 5.3134 6.0683 6.0683 6.0686 6.0686 7.6929 7.6929 7.6931 7.6931 8.2917 8.2917 8.2918 8.2918 10.4498 10.4498 10.4500 10.4500 10.7484 10.7484 10.7486 10.7486 12.7275 12.7275 12.7275 12.7275 k = 0.5000-0.0000-0.0000 ( 2228 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7451 -2.7451 -2.7449 -2.7449 1.4722 1.4722 1.4725 1.4725 4.2252 4.2252 4.2254 4.2254 4.6212 4.6212 4.6214 4.6214 5.3133 5.3133 5.3134 5.3134 6.0683 6.0683 6.0686 6.0686 7.6929 7.6929 7.6931 7.6931 8.2917 8.2917 8.2918 8.2918 10.4498 10.4498 10.4500 10.4500 10.7484 10.7484 10.7486 10.7486 12.7275 12.7275 12.7275 12.7275 k = 0.5000 0.0100-0.0000 ( 2228 PWs) bands (ev): -7.7761 -7.7761 -7.7759 -7.7759 -2.7480 -2.7480 -2.7478 -2.7478 1.4750 1.4750 1.4752 1.4752 4.2215 4.2215 4.2216 4.2216 4.6073 4.6073 4.6075 4.6075 5.3178 5.3178 5.3179 5.3179 6.0838 6.0838 6.0840 6.0840 7.6934 7.6934 7.6936 7.6936 8.2919 8.2919 8.2920 8.2920 10.4419 10.4419 10.4422 10.4422 10.7473 10.7473 10.7475 10.7475 12.7292 12.7292 12.7293 12.7293 k = 0.5000 0.0201-0.0000 ( 2228 PWs) bands (ev): -7.7720 -7.7720 -7.7717 -7.7717 -2.7566 -2.7566 -2.7564 -2.7564 1.4832 1.4832 1.4835 1.4835 4.2103 4.2103 4.2104 4.2104 4.5674 4.5674 4.5676 4.5676 5.3311 5.3311 5.3312 5.3312 6.1282 6.1282 6.1285 6.1285 7.6948 7.6948 7.6950 7.6950 8.2925 8.2925 8.2926 8.2926 10.4186 10.4186 10.4189 10.4189 10.7441 10.7441 10.7443 10.7443 12.7339 12.7339 12.7340 12.7340 k = 0.5000 0.0301-0.0000 ( 2224 PWs) bands (ev): -7.7650 -7.7650 -7.7648 -7.7648 -2.7709 -2.7709 -2.7707 -2.7707 1.4970 1.4970 1.4972 1.4972 4.1922 4.1922 4.1923 4.1923 4.5062 4.5062 4.5064 4.5064 5.3526 5.3526 5.3527 5.3527 6.1971 6.1971 6.1974 6.1974 7.6973 7.6973 7.6975 7.6975 8.2936 8.2936 8.2937 8.2937 10.3806 10.3806 10.3809 10.3809 10.7389 10.7389 10.7391 10.7391 12.7403 12.7403 12.7404 12.7404 k = 0.5000 0.0401-0.0000 ( 2228 PWs) bands (ev): -7.7553 -7.7553 -7.7551 -7.7551 -2.7908 -2.7908 -2.7906 -2.7906 1.5157 1.5157 1.5159 1.5159 4.1678 4.1678 4.1680 4.1680 4.4292 4.4292 4.4294 4.4294 5.3817 5.3817 5.3818 5.3818 6.2846 6.2846 6.2848 6.2848 7.7010 7.7010 7.7012 7.7012 8.2950 8.2950 8.2951 8.2951 10.3289 10.3289 10.3291 10.3291 10.7322 10.7322 10.7324 10.7324 12.7467 12.7467 12.7468 12.7468 k = 0.5000 0.0501-0.0000 ( 2224 PWs) bands (ev): -7.7429 -7.7429 -7.7427 -7.7427 -2.8160 -2.8160 -2.8158 -2.8158 1.5392 1.5392 1.5395 1.5395 4.1380 4.1380 4.1381 4.1381 4.3420 4.3420 4.3422 4.3422 5.4175 5.4175 5.4176 5.4176 6.3854 6.3854 6.3856 6.3856 7.7060 7.7060 7.7062 7.7062 8.2968 8.2968 8.2969 8.2969 10.2649 10.2649 10.2652 10.2652 10.7241 10.7241 10.7242 10.7242 12.7518 12.7518 12.7519 12.7519 k = 0.5000 0.0602-0.0000 ( 2224 PWs) bands (ev): -7.7277 -7.7277 -7.7275 -7.7275 -2.8465 -2.8465 -2.8463 -2.8463 1.5671 1.5671 1.5673 1.5673 4.1026 4.1026 4.1028 4.1028 4.2497 4.2497 4.2499 4.2499 5.4588 5.4588 5.4589 5.4589 6.4951 6.4951 6.4953 6.4953 7.7127 7.7127 7.7129 7.7129 8.2990 8.2990 8.2991 8.2991 10.1905 10.1905 10.1907 10.1907 10.7146 10.7146 10.7148 10.7148 12.7549 12.7549 12.7550 12.7550 k = 0.5000 0.0702-0.0000 ( 2232 PWs) bands (ev): -7.7099 -7.7099 -7.7097 -7.7097 -2.8818 -2.8818 -2.8816 -2.8816 1.5988 1.5988 1.5990 1.5990 4.0601 4.0601 4.0602 4.0602 4.1579 4.1579 4.1581 4.1581 5.5048 5.5048 5.5049 5.5049 6.6099 6.6099 6.6101 6.6101 7.7213 7.7213 7.7215 7.7215 8.3014 8.3014 8.3015 8.3015 10.1072 10.1072 10.1074 10.1074 10.7038 10.7038 10.7040 10.7040 12.7554 12.7554 12.7556 12.7556 k = 0.5000 0.0802-0.0000 ( 2232 PWs) bands (ev): -7.6894 -7.6894 -7.6892 -7.6892 -2.9219 -2.9219 -2.9217 -2.9217 1.6336 1.6336 1.6339 1.6339 4.0030 4.0030 4.0032 4.0032 4.0778 4.0778 4.0780 4.0780 5.5547 5.5547 5.5548 5.5548 6.7270 6.7270 6.7272 6.7272 7.7325 7.7325 7.7327 7.7327 8.3041 8.3041 8.3042 8.3042 10.0168 10.0168 10.0170 10.0170 10.6919 10.6919 10.6921 10.6921 12.7535 12.7535 12.7537 12.7537 k = 0.5000 0.0902-0.0000 ( 2226 PWs) bands (ev): -7.6663 -7.6663 -7.6660 -7.6660 -2.9663 -2.9663 -2.9661 -2.9661 1.6709 1.6709 1.6712 1.6712 3.9245 3.9245 3.9247 3.9247 4.0190 4.0190 4.0191 4.0191 5.6078 5.6078 5.6078 5.6078 6.8434 6.8434 6.8436 6.8436 7.7471 7.7471 7.7473 7.7473 8.3071 8.3071 8.3072 8.3072 9.9208 9.9208 9.9210 9.9210 10.6789 10.6789 10.6791 10.6791 12.7493 12.7493 12.7495 12.7495 k = 0.5000 0.1003-0.0000 ( 2238 PWs) bands (ev): -7.6406 -7.6406 -7.6404 -7.6404 -3.0149 -3.0149 -3.0147 -3.0147 1.7096 1.7096 1.7099 1.7099 3.8366 3.8366 3.8368 3.8368 3.9715 3.9715 3.9717 3.9717 5.6634 5.6634 5.6634 5.6634 6.9563 6.9563 6.9564 6.9564 7.7661 7.7661 7.7662 7.7662 8.3102 8.3102 8.3103 8.3103 9.8207 9.8207 9.8210 9.8210 10.6647 10.6647 10.6649 10.6649 12.7427 12.7427 12.7429 12.7429 k = 0.5000 0.1103-0.0000 ( 2238 PWs) bands (ev): -7.6124 -7.6124 -7.6122 -7.6122 -3.0673 -3.0673 -3.0670 -3.0670 1.7489 1.7489 1.7491 1.7491 3.7497 3.7497 3.7499 3.7499 3.9275 3.9275 3.9277 3.9277 5.7210 5.7210 5.7210 5.7210 7.0626 7.0626 7.0627 7.0627 7.7908 7.7908 7.7910 7.7910 8.3135 8.3135 8.3136 8.3136 9.7185 9.7185 9.7188 9.7188 10.6496 10.6496 10.6498 10.6498 12.7340 12.7340 12.7342 12.7342 k = 0.5000 0.1203-0.0000 ( 2236 PWs) bands (ev): -7.5817 -7.5817 -7.5815 -7.5815 -3.1231 -3.1231 -3.1229 -3.1229 1.7873 1.7873 1.7876 1.7876 3.6681 3.6681 3.6683 3.6683 3.8848 3.8848 3.8850 3.8850 5.7802 5.7802 5.7802 5.7802 7.1591 7.1591 7.1593 7.1593 7.8228 7.8228 7.8229 7.8229 8.3170 8.3170 8.3171 8.3171 9.6157 9.6157 9.6160 9.6160 10.6338 10.6338 10.6340 10.6340 12.7231 12.7231 12.7233 12.7233 k = 0.5000 0.1303-0.0000 ( 2240 PWs) bands (ev): -7.5486 -7.5486 -7.5484 -7.5484 -3.1822 -3.1822 -3.1820 -3.1820 1.8236 1.8236 1.8238 1.8238 3.5942 3.5942 3.5944 3.5944 3.8429 3.8429 3.8431 3.8431 5.8405 5.8405 5.8405 5.8405 7.2428 7.2428 7.2429 7.2429 7.8629 7.8629 7.8630 7.8630 8.3205 8.3205 8.3206 8.3206 9.5145 9.5145 9.5147 9.5147 10.6172 10.6172 10.6174 10.6174 12.7100 12.7100 12.7102 12.7102 k = 0.5000 0.1404-0.0000 ( 2240 PWs) bands (ev): -7.5132 -7.5132 -7.5130 -7.5130 -3.2442 -3.2442 -3.2440 -3.2440 1.8561 1.8561 1.8563 1.8563 3.5300 3.5300 3.5302 3.5302 3.8018 3.8018 3.8019 3.8019 5.9016 5.9016 5.9017 5.9017 7.3115 7.3115 7.3116 7.3116 7.9107 7.9107 7.9108 7.9108 8.3243 8.3243 8.3244 8.3244 9.4173 9.4173 9.4175 9.4175 10.6000 10.6000 10.6002 10.6002 12.6949 12.6949 12.6951 12.6951 k = 0.5000 0.1504-0.0000 ( 2236 PWs) bands (ev): -7.4756 -7.4756 -7.4754 -7.4754 -3.3088 -3.3088 -3.3086 -3.3086 1.8831 1.8831 1.8833 1.8833 3.4776 3.4776 3.4778 3.4778 3.7616 3.7616 3.7617 3.7617 5.9633 5.9633 5.9634 5.9634 7.3649 7.3649 7.3649 7.3649 7.9630 7.9630 7.9631 7.9631 8.3283 8.3283 8.3284 8.3284 9.3276 9.3276 9.3278 9.3278 10.5822 10.5822 10.5824 10.5824 12.6777 12.6777 12.6779 12.6779 k = 0.5000 0.1604-0.0000 ( 2232 PWs) bands (ev): -7.4359 -7.4359 -7.4356 -7.4356 -3.3757 -3.3757 -3.3755 -3.3755 1.9031 1.9031 1.9034 1.9034 3.4386 3.4386 3.4388 3.4388 3.7224 3.7224 3.7225 3.7225 6.0252 6.0252 6.0253 6.0253 7.4042 7.4042 7.4043 7.4043 8.0140 8.0140 8.0141 8.0141 8.3324 8.3324 8.3325 8.3325 9.2500 9.2500 9.2503 9.2503 10.5641 10.5641 10.5643 10.5643 12.6582 12.6582 12.6584 12.6584 k = 0.5000 0.1704-0.0000 ( 2236 PWs) bands (ev): -7.3941 -7.3941 -7.3939 -7.3939 -3.4446 -3.4446 -3.4444 -3.4444 1.9148 1.9148 1.9150 1.9150 3.4143 3.4143 3.4145 3.4145 3.6843 3.6843 3.6845 3.6845 6.0871 6.0871 6.0871 6.0871 7.4316 7.4316 7.4317 7.4317 8.0559 8.0559 8.0560 8.0560 8.3360 8.3360 8.3361 8.3361 9.1906 9.1906 9.1908 9.1908 10.5458 10.5458 10.5460 10.5460 12.6365 12.6365 12.6367 12.6367 k = 0.5000 0.1805-0.0000 ( 2236 PWs) bands (ev): -7.3504 -7.3504 -7.3502 -7.3502 -3.5153 -3.5153 -3.5151 -3.5151 1.9173 1.9173 1.9175 1.9175 3.4055 3.4055 3.4058 3.4058 3.6477 3.6477 3.6478 3.6478 6.1485 6.1485 6.1485 6.1485 7.4492 7.4492 7.4493 7.4493 8.0811 8.0811 8.0812 8.0812 8.3379 8.3379 8.3380 8.3380 9.1561 9.1561 9.1563 9.1563 10.5274 10.5274 10.5276 10.5276 12.6125 12.6125 12.6127 12.6127 k = 0.5000 0.1905-0.0000 ( 2232 PWs) bands (ev): -7.3049 -7.3049 -7.3047 -7.3047 -3.5873 -3.5873 -3.5871 -3.5871 1.9105 1.9105 1.9107 1.9107 3.4123 3.4123 3.4125 3.4125 3.6126 3.6126 3.6128 3.6128 6.2095 6.2095 6.2095 6.2095 7.4584 7.4584 7.4585 7.4585 8.0848 8.0848 8.0850 8.0850 8.3367 8.3367 8.3367 8.3367 9.1514 9.1514 9.1517 9.1517 10.5091 10.5091 10.5093 10.5093 12.5864 12.5864 12.5866 12.5866 k = 0.5000 0.2005-0.0000 ( 2232 PWs) bands (ev): -7.2579 -7.2579 -7.2577 -7.2577 -3.6604 -3.6604 -3.6602 -3.6602 1.8949 1.8949 1.8951 1.8951 3.4332 3.4332 3.4334 3.4334 3.5798 3.5798 3.5799 3.5799 6.2697 6.2697 6.2697 6.2697 7.4596 7.4596 7.4597 7.4597 8.0661 8.0661 8.0662 8.0662 8.3321 8.3321 8.3322 8.3322 9.1771 9.1771 9.1774 9.1774 10.4910 10.4910 10.4912 10.4912 12.5580 12.5580 12.5582 12.5582 k = 0.5000 0.2106-0.0000 ( 2236 PWs) bands (ev): -7.2095 -7.2095 -7.2092 -7.2092 -3.7344 -3.7344 -3.7342 -3.7342 1.8717 1.8717 1.8719 1.8719 3.4649 3.4649 3.4651 3.4651 3.5515 3.5515 3.5516 3.5516 6.3288 6.3288 6.3288 6.3288 7.4522 7.4522 7.4524 7.4524 8.0282 8.0282 8.0284 8.0284 8.3258 8.3258 8.3259 8.3259 9.2287 9.2287 9.2289 9.2289 10.4732 10.4732 10.4734 10.4734 12.5274 12.5274 12.5276 12.5276 k = 0.5000 0.2206-0.0000 ( 2230 PWs) bands (ev): -7.1598 -7.1598 -7.1595 -7.1595 -3.8087 -3.8087 -3.8085 -3.8085 1.8425 1.8425 1.8427 1.8427 3.4883 3.4883 3.4884 3.4884 3.5454 3.5454 3.5456 3.5456 6.3867 6.3867 6.3867 6.3867 7.4349 7.4349 7.4351 7.4351 7.9785 7.9785 7.9787 7.9787 8.3191 8.3191 8.3192 8.3192 9.2993 9.2993 9.2995 9.2995 10.4560 10.4560 10.4562 10.4562 12.4947 12.4947 12.4950 12.4950 k = 0.5000 0.2306-0.0000 ( 2226 PWs) bands (ev): -7.1091 -7.1091 -7.1089 -7.1089 -3.8832 -3.8832 -3.8829 -3.8829 1.8089 1.8089 1.8091 1.8091 3.4732 3.4732 3.4734 3.4734 3.5894 3.5894 3.5897 3.5897 6.4429 6.4429 6.4430 6.4430 7.4053 7.4053 7.4055 7.4055 7.9252 7.9252 7.9254 7.9254 8.3121 8.3121 8.3122 8.3122 9.3826 9.3826 9.3829 9.3829 10.4395 10.4395 10.4396 10.4396 12.4601 12.4601 12.4603 12.4603 k = 0.5000 0.2406-0.0000 ( 2230 PWs) bands (ev): -7.0577 -7.0577 -7.0575 -7.0575 -3.9573 -3.9573 -3.9571 -3.9571 1.7723 1.7723 1.7725 1.7725 3.4484 3.4484 3.4485 3.4485 3.6535 3.6535 3.6538 3.6538 6.4973 6.4973 6.4974 6.4974 7.3611 7.3611 7.3612 7.3612 7.8758 7.8758 7.8759 7.8759 8.3049 8.3049 8.3050 8.3050 9.4735 9.4735 9.4738 9.4738 10.4237 10.4237 10.4239 10.4239 12.4233 12.4233 12.4236 12.4236 k = 0.5000 0.2507-0.0000 ( 2234 PWs) bands (ev): -7.0060 -7.0060 -7.0058 -7.0058 -4.0307 -4.0307 -4.0305 -4.0305 1.7342 1.7342 1.7345 1.7345 3.4232 3.4232 3.4234 3.4234 3.7265 3.7265 3.7268 3.7268 6.5495 6.5495 6.5495 6.5495 7.3013 7.3013 7.3015 7.3015 7.8351 7.8351 7.8352 7.8352 8.2972 8.2972 8.2973 8.2973 9.5684 9.5684 9.5686 9.5686 10.4090 10.4090 10.4091 10.4091 12.3849 12.3849 12.3851 12.3851 k = 0.5000 0.2607-0.0000 ( 2238 PWs) bands (ev): -6.9542 -6.9542 -6.9539 -6.9539 -4.1030 -4.1030 -4.1028 -4.1028 1.6959 1.6959 1.6961 1.6961 3.3993 3.3993 3.3994 3.3994 3.8054 3.8054 3.8057 3.8057 6.5989 6.5989 6.5990 6.5990 7.2276 7.2276 7.2277 7.2277 7.8047 7.8047 7.8049 7.8049 8.2890 8.2890 8.2891 8.2891 9.6645 9.6645 9.6647 9.6647 10.3954 10.3954 10.3956 10.3956 12.3449 12.3449 12.3451 12.3451 k = 0.5000 0.2707-0.0000 ( 2238 PWs) bands (ev): -6.9027 -6.9027 -6.9025 -6.9025 -4.1736 -4.1736 -4.1734 -4.1734 1.6582 1.6582 1.6584 1.6584 3.3769 3.3769 3.3771 3.3771 3.8885 3.8885 3.8888 3.8888 6.6451 6.6451 6.6452 6.6452 7.1434 7.1434 7.1436 7.1436 7.7836 7.7836 7.7838 7.7838 8.2801 8.2801 8.2802 8.2802 9.7598 9.7598 9.7600 9.7600 10.3832 10.3832 10.3834 10.3834 12.3038 12.3038 12.3040 12.3040 k = 0.5000 0.2807-0.0000 ( 2236 PWs) bands (ev): -6.8521 -6.8521 -6.8519 -6.8519 -4.2420 -4.2420 -4.2417 -4.2417 1.6220 1.6220 1.6222 1.6222 3.3563 3.3563 3.3565 3.3565 3.9743 3.9743 3.9745 3.9745 6.6868 6.6868 6.6869 6.6869 7.0536 7.0536 7.0538 7.0538 7.7697 7.7697 7.7699 7.7699 8.2708 8.2708 8.2709 8.2709 9.8525 9.8525 9.8527 9.8527 10.3727 10.3727 10.3729 10.3729 12.2619 12.2619 12.2621 12.2621 k = 0.5000 0.2908-0.0000 ( 2232 PWs) bands (ev): -6.8029 -6.8029 -6.8026 -6.8026 -4.3075 -4.3075 -4.3073 -4.3073 1.5878 1.5878 1.5881 1.5881 3.3375 3.3375 3.3377 3.3377 4.0614 4.0614 4.0616 4.0616 6.7209 6.7209 6.7211 6.7211 6.9643 6.9643 6.9645 6.9645 7.7612 7.7612 7.7614 7.7614 8.2609 8.2609 8.2610 8.2610 9.9410 9.9410 9.9413 9.9413 10.3643 10.3643 10.3645 10.3645 12.2197 12.2197 12.2199 12.2199 k = 0.5000 0.3008-0.0000 ( 2236 PWs) bands (ev): -6.7556 -6.7556 -6.7554 -6.7554 -4.3695 -4.3695 -4.3693 -4.3693 1.5562 1.5562 1.5565 1.5565 3.3206 3.3206 3.3207 3.3207 4.1484 4.1484 4.1486 4.1486 6.7361 6.7361 6.7363 6.7363 6.8895 6.8895 6.8897 6.8897 7.7563 7.7563 7.7565 7.7565 8.2508 8.2508 8.2509 8.2509 10.0235 10.0235 10.0237 10.0237 10.3586 10.3586 10.3587 10.3587 12.1776 12.1776 12.1779 12.1779 k = 0.5000 0.3108-0.0000 ( 2236 PWs) bands (ev): -6.7110 -6.7110 -6.7108 -6.7108 -4.4273 -4.4273 -4.4270 -4.4270 1.5276 1.5276 1.5278 1.5278 3.3056 3.3056 3.3057 3.3057 4.2337 4.2337 4.2339 4.2339 6.7028 6.7028 6.7031 6.7031 6.8612 6.8612 6.8613 6.8613 7.7540 7.7540 7.7542 7.7542 8.2406 8.2406 8.2408 8.2408 10.0974 10.0974 10.0976 10.0976 10.3569 10.3569 10.3571 10.3571 12.1366 12.1366 12.1369 12.1369 k = 0.5000 0.3208-0.0000 ( 2244 PWs) bands (ev): -6.6699 -6.6699 -6.6697 -6.6697 -4.4800 -4.4800 -4.4797 -4.4797 1.5022 1.5022 1.5024 1.5024 3.2924 3.2924 3.2926 3.2926 4.3154 4.3154 4.3157 4.3157 6.6304 6.6304 6.6306 6.6306 6.8722 6.8722 6.8723 6.8723 7.7535 7.7535 7.7537 7.7537 8.2307 8.2307 8.2308 8.2308 10.1596 10.1596 10.1598 10.1598 10.3614 10.3614 10.3616 10.3616 12.0975 12.0975 12.0977 12.0977 k = 0.5000 0.3309-0.0000 ( 2244 PWs) bands (ev): -6.6330 -6.6330 -6.6328 -6.6328 -4.5267 -4.5267 -4.5265 -4.5265 1.4804 1.4804 1.4806 1.4806 3.2813 3.2813 3.2815 3.2815 4.3918 4.3918 4.3920 4.3920 6.5516 6.5516 6.5518 6.5518 6.8919 6.8919 6.8921 6.8921 7.7541 7.7541 7.7543 7.7543 8.2214 8.2214 8.2216 8.2216 10.2057 10.2057 10.2059 10.2059 10.3752 10.3752 10.3754 10.3754 12.0612 12.0612 12.0615 12.0615 k = 0.5000 0.3409-0.0000 ( 2240 PWs) bands (ev): -6.6013 -6.6013 -6.6011 -6.6011 -4.5665 -4.5665 -4.5663 -4.5663 1.4623 1.4623 1.4625 1.4625 3.2723 3.2723 3.2725 3.2725 4.4602 4.4602 4.4604 4.4604 6.4783 6.4783 6.4785 6.4785 6.9111 6.9111 6.9112 6.9112 7.7554 7.7554 7.7556 7.7556 8.2132 8.2132 8.2133 8.2133 10.2341 10.2341 10.2343 10.2343 10.3986 10.3986 10.3988 10.3988 12.0291 12.0291 12.0294 12.0294 k = 0.5000 0.3509-0.0000 ( 2236 PWs) bands (ev): -6.5755 -6.5755 -6.5753 -6.5753 -4.5987 -4.5987 -4.5984 -4.5984 1.4482 1.4482 1.4484 1.4484 3.2652 3.2652 3.2654 3.2654 4.5180 4.5180 4.5182 4.5182 6.4158 6.4158 6.4160 6.4160 6.9271 6.9271 6.9272 6.9272 7.7568 7.7568 7.7571 7.7571 8.2062 8.2062 8.2064 8.2064 10.2487 10.2487 10.2489 10.2489 10.4262 10.4262 10.4264 10.4264 12.0023 12.0023 12.0026 12.0026 k = 0.5000 0.3610-0.0000 ( 2232 PWs) bands (ev): -6.5564 -6.5564 -6.5562 -6.5562 -4.6222 -4.6222 -4.6220 -4.6220 1.4380 1.4380 1.4382 1.4382 3.2601 3.2601 3.2603 3.2603 4.5621 4.5621 4.5623 4.5623 6.3679 6.3679 6.3682 6.3682 6.9389 6.9389 6.9391 6.9391 7.7582 7.7582 7.7584 7.7584 8.2010 8.2010 8.2011 8.2011 10.2554 10.2554 10.2556 10.2556 10.4508 10.4508 10.4510 10.4510 11.9821 11.9821 11.9823 11.9823 k = 0.5000 0.3710-0.0000 ( 2228 PWs) bands (ev): -6.5447 -6.5447 -6.5445 -6.5445 -4.6367 -4.6367 -4.6365 -4.6365 1.4319 1.4319 1.4321 1.4321 3.2571 3.2571 3.2573 3.2573 4.5900 4.5900 4.5902 4.5902 6.3377 6.3377 6.3380 6.3380 6.9462 6.9462 6.9464 6.9464 7.7591 7.7591 7.7594 7.7594 8.1977 8.1977 8.1978 8.1978 10.2583 10.2583 10.2585 10.2585 10.4672 10.4672 10.4675 10.4675 11.9695 11.9695 11.9697 11.9697 k = 0.5000 0.3810-0.0000 ( 2228 PWs) bands (ev): -6.5408 -6.5408 -6.5405 -6.5405 -4.6416 -4.6416 -4.6413 -4.6413 1.4298 1.4298 1.4300 1.4300 3.2561 3.2561 3.2562 3.2562 4.5995 4.5995 4.5997 4.5997 6.3274 6.3274 6.3276 6.3276 6.9486 6.9486 6.9488 6.9488 7.7595 7.7595 7.7597 7.7597 8.1966 8.1966 8.1967 8.1967 10.2591 10.2591 10.2593 10.2593 10.4730 10.4730 10.4732 10.4732 11.9651 11.9651 11.9654 11.9654 k = 0.5000 0.3810-0.0000 ( 2228 PWs) bands (ev): -6.5408 -6.5408 -6.5405 -6.5405 -4.6416 -4.6416 -4.6413 -4.6413 1.4298 1.4298 1.4300 1.4300 3.2561 3.2561 3.2562 3.2562 4.5995 4.5995 4.5997 4.5997 6.3274 6.3274 6.3276 6.3276 6.9486 6.9486 6.9488 6.9488 7.7595 7.7595 7.7597 7.7597 8.1966 8.1966 8.1967 8.1967 10.2591 10.2591 10.2593 10.2593 10.4730 10.4730 10.4732 10.4732 11.9651 11.9651 11.9654 11.9654 k = 0.4900 0.3810-0.0000 ( 2236 PWs) bands (ev): -6.5423 -6.5423 -6.5421 -6.5421 -4.6402 -4.6402 -4.6400 -4.6400 1.4313 1.4313 1.4315 1.4315 3.2557 3.2557 3.2558 3.2558 4.5998 4.5998 4.6000 4.6000 6.3275 6.3275 6.3278 6.3278 6.9482 6.9482 6.9483 6.9483 7.7589 7.7589 7.7592 7.7592 8.1979 8.1979 8.1981 8.1981 10.2583 10.2583 10.2585 10.2585 10.4697 10.4697 10.4700 10.4700 11.9646 11.9646 11.9649 11.9649 k = 0.4800 0.3810-0.0000 ( 2236 PWs) bands (ev): -6.5470 -6.5470 -6.5467 -6.5467 -4.6363 -4.6363 -4.6360 -4.6360 1.4357 1.4357 1.4359 1.4359 3.2546 3.2546 3.2548 3.2548 4.6009 4.6009 4.6011 4.6011 6.3280 6.3280 6.3283 6.3283 6.9471 6.9471 6.9472 6.9472 7.7576 7.7576 7.7578 7.7578 8.2020 8.2020 8.2021 8.2021 10.2559 10.2559 10.2561 10.2561 10.4603 10.4603 10.4606 10.4606 11.9633 11.9633 11.9635 11.9635 k = 0.4700 0.3810-0.0000 ( 2236 PWs) bands (ev): -6.5546 -6.5546 -6.5544 -6.5544 -4.6297 -4.6297 -4.6295 -4.6295 1.4431 1.4431 1.4433 1.4433 3.2528 3.2528 3.2530 3.2530 4.6027 4.6027 4.6029 4.6029 6.3289 6.3289 6.3291 6.3291 6.9452 6.9452 6.9454 6.9454 7.7553 7.7553 7.7555 7.7555 8.2087 8.2087 8.2089 8.2089 10.2514 10.2514 10.2516 10.2516 10.4454 10.4454 10.4456 10.4456 11.9607 11.9607 11.9609 11.9609 k = 0.4600 0.3810-0.0000 ( 2240 PWs) bands (ev): -6.5652 -6.5652 -6.5650 -6.5650 -4.6207 -4.6207 -4.6205 -4.6205 1.4534 1.4534 1.4536 1.4536 3.2503 3.2503 3.2505 3.2505 4.6051 4.6051 4.6054 4.6054 6.3300 6.3300 6.3303 6.3303 6.9427 6.9427 6.9429 6.9429 7.7521 7.7521 7.7523 7.7523 8.2180 8.2180 8.2181 8.2181 10.2441 10.2441 10.2443 10.2443 10.4261 10.4261 10.4263 10.4263 11.9564 11.9564 11.9566 11.9566 k = 0.4500 0.3810-0.0000 ( 2240 PWs) bands (ev): -6.5785 -6.5785 -6.5783 -6.5783 -4.6094 -4.6094 -4.6092 -4.6092 1.4667 1.4667 1.4670 1.4670 3.2471 3.2471 3.2473 3.2473 4.6083 4.6083 4.6085 4.6085 6.3316 6.3316 6.3318 6.3318 6.9396 6.9396 6.9398 6.9398 7.7481 7.7481 7.7483 7.7483 8.2297 8.2297 8.2298 8.2298 10.2327 10.2327 10.2329 10.2329 10.4043 10.4043 10.4045 10.4045 11.9499 11.9499 11.9501 11.9501 k = 0.4400 0.3810-0.0000 ( 2240 PWs) bands (ev): -6.5945 -6.5945 -6.5943 -6.5943 -4.5959 -4.5959 -4.5957 -4.5957 1.4831 1.4831 1.4833 1.4833 3.2432 3.2432 3.2434 3.2434 4.6120 4.6120 4.6122 4.6122 6.3335 6.3335 6.3337 6.3337 6.9361 6.9361 6.9362 6.9362 7.7433 7.7433 7.7435 7.7435 8.2436 8.2436 8.2438 8.2438 10.2155 10.2155 10.2157 10.2157 10.3823 10.3823 10.3825 10.3825 11.9405 11.9405 11.9408 11.9408 k = 0.4300 0.3810-0.0000 ( 2240 PWs) bands (ev): -6.6129 -6.6129 -6.6127 -6.6127 -4.5805 -4.5805 -4.5803 -4.5803 1.5024 1.5024 1.5026 1.5026 3.2387 3.2387 3.2389 3.2389 4.6164 4.6164 4.6166 4.6166 6.3357 6.3357 6.3360 6.3360 6.9321 6.9321 6.9322 6.9322 7.7377 7.7377 7.7379 7.7379 8.2597 8.2597 8.2598 8.2598 10.1907 10.1907 10.1909 10.1909 10.3626 10.3626 10.3628 10.3628 11.9276 11.9276 11.9278 11.9278 k = 0.4200 0.3810-0.0000 ( 2236 PWs) bands (ev): -6.6335 -6.6335 -6.6333 -6.6333 -4.5633 -4.5633 -4.5631 -4.5631 1.5247 1.5247 1.5249 1.5249 3.2336 3.2336 3.2337 3.2337 4.6213 4.6213 4.6215 4.6215 6.3384 6.3384 6.3386 6.3386 6.9278 6.9278 6.9280 6.9280 7.7313 7.7313 7.7315 7.7315 8.2777 8.2777 8.2778 8.2778 10.1572 10.1572 10.1574 10.1574 10.3469 10.3469 10.3471 10.3471 11.9104 11.9104 11.9107 11.9107 k = 0.4100 0.3810-0.0000 ( 2240 PWs) bands (ev): -6.6561 -6.6561 -6.6559 -6.6559 -4.5447 -4.5447 -4.5444 -4.5444 1.5500 1.5500 1.5502 1.5502 3.2277 3.2277 3.2279 3.2279 4.6267 4.6267 4.6269 4.6269 6.3413 6.3413 6.3416 6.3416 6.9234 6.9234 6.9236 6.9236 7.7242 7.7242 7.7244 7.7244 8.2974 8.2974 8.2975 8.2975 10.1157 10.1157 10.1159 10.1159 10.3351 10.3351 10.3353 10.3353 11.8885 11.8885 11.8887 11.8887 k = 0.4000 0.3810-0.0000 ( 2244 PWs) bands (ev): -6.6805 -6.6805 -6.6802 -6.6802 -4.5247 -4.5247 -4.5245 -4.5245 1.5784 1.5784 1.5786 1.5786 3.2213 3.2213 3.2214 3.2214 4.6325 4.6325 4.6328 4.6328 6.3446 6.3446 6.3449 6.3449 6.9189 6.9189 6.9191 6.9191 7.7164 7.7164 7.7167 7.7167 8.3185 8.3185 8.3187 8.3187 10.0675 10.0675 10.0677 10.0677 10.3266 10.3266 10.3268 10.3268 11.8612 11.8612 11.8614 11.8614 k = 0.3900 0.3810-0.0000 ( 2244 PWs) bands (ev): -6.7064 -6.7064 -6.7062 -6.7062 -4.5037 -4.5037 -4.5035 -4.5035 1.6098 1.6098 1.6100 1.6100 3.2142 3.2142 3.2144 3.2144 4.6388 4.6388 4.6390 4.6390 6.3484 6.3484 6.3487 6.3487 6.9144 6.9144 6.9146 6.9146 7.7080 7.7080 7.7082 7.7082 8.3411 8.3411 8.3413 8.3413 10.0143 10.0143 10.0145 10.0145 10.3203 10.3203 10.3205 10.3205 11.8283 11.8283 11.8285 11.8285 k = 0.3800 0.3810-0.0000 ( 2248 PWs) bands (ev): -6.7337 -6.7337 -6.7335 -6.7335 -4.4819 -4.4819 -4.4816 -4.4816 1.6443 1.6443 1.6445 1.6445 3.2066 3.2066 3.2068 3.2068 4.6453 4.6453 4.6455 4.6455 6.3525 6.3525 6.3528 6.3528 6.9101 6.9101 6.9102 6.9102 7.6988 7.6988 7.6990 7.6990 8.3648 8.3648 8.3650 8.3650 9.9573 9.9573 9.9575 9.9575 10.3156 10.3156 10.3157 10.3157 11.7893 11.7893 11.7895 11.7895 k = 0.3700 0.3810-0.0000 ( 2248 PWs) bands (ev): -6.7621 -6.7621 -6.7619 -6.7619 -4.4594 -4.4594 -4.4592 -4.4592 1.6819 1.6819 1.6821 1.6821 3.1985 3.1985 3.1987 3.1987 4.6521 4.6521 4.6524 4.6524 6.3570 6.3570 6.3573 6.3573 6.9060 6.9060 6.9062 6.9062 7.6890 7.6890 7.6892 7.6892 8.3895 8.3895 8.3896 8.3896 9.8976 9.8976 9.8978 9.8978 10.3119 10.3119 10.3120 10.3120 11.7442 11.7442 11.7444 11.7444 k = 0.3600 0.3810-0.0000 ( 2248 PWs) bands (ev): -6.7914 -6.7914 -6.7912 -6.7912 -4.4365 -4.4365 -4.4363 -4.4363 1.7226 1.7226 1.7228 1.7228 3.1899 3.1899 3.1901 3.1901 4.6591 4.6591 4.6593 4.6593 6.3620 6.3620 6.3623 6.3623 6.9022 6.9022 6.9024 6.9024 7.6784 7.6784 7.6787 7.6787 8.4149 8.4149 8.4151 8.4151 9.8358 9.8358 9.8360 9.8360 10.3089 10.3089 10.3090 10.3090 11.6928 11.6928 11.6931 11.6931 k = 0.3500 0.3810-0.0000 ( 2252 PWs) bands (ev): -6.8215 -6.8215 -6.8213 -6.8213 -4.4133 -4.4133 -4.4131 -4.4131 1.7664 1.7664 1.7666 1.7666 3.1809 3.1809 3.1810 3.1810 4.6662 4.6662 4.6664 4.6664 6.3674 6.3674 6.3677 6.3677 6.8988 6.8988 6.8990 6.8990 7.6672 7.6672 7.6674 7.6674 8.4410 8.4410 8.4412 8.4412 9.7727 9.7727 9.7729 9.7729 10.3062 10.3062 10.3064 10.3064 11.6352 11.6352 11.6355 11.6355 k = 0.3400 0.3810-0.0000 ( 2252 PWs) bands (ev): -6.8522 -6.8522 -6.8520 -6.8520 -4.3901 -4.3901 -4.3899 -4.3899 1.8132 1.8132 1.8134 1.8134 3.1714 3.1714 3.1716 3.1716 4.6732 4.6732 4.6735 4.6735 6.3733 6.3733 6.3736 6.3736 6.8959 6.8959 6.8961 6.8961 7.6553 7.6553 7.6555 7.6555 8.4675 8.4675 8.4677 8.4677 9.7086 9.7086 9.7088 9.7088 10.3040 10.3040 10.3042 10.3042 11.5717 11.5717 11.5719 11.5719 k = 0.3300 0.3810-0.0000 ( 2252 PWs) bands (ev): -6.8832 -6.8832 -6.8830 -6.8830 -4.3670 -4.3670 -4.3668 -4.3668 1.8631 1.8631 1.8633 1.8633 3.1616 3.1616 3.1617 3.1617 4.6802 4.6802 4.6804 4.6804 6.3798 6.3798 6.3800 6.3800 6.8935 6.8935 6.8937 6.8937 7.6426 7.6426 7.6429 7.6429 8.4943 8.4943 8.4945 8.4945 9.6441 9.6441 9.6443 9.6443 10.3021 10.3021 10.3023 10.3023 11.5024 11.5024 11.5026 11.5026 k = 0.3200 0.3810-0.0000 ( 2254 PWs) bands (ev): -6.9146 -6.9146 -6.9144 -6.9144 -4.3441 -4.3441 -4.3439 -4.3439 1.9159 1.9159 1.9162 1.9162 3.1514 3.1514 3.1516 3.1516 4.6870 4.6870 4.6873 4.6873 6.3868 6.3868 6.3870 6.3870 6.8917 6.8917 6.8918 6.8918 7.6292 7.6292 7.6294 7.6294 8.5213 8.5213 8.5215 8.5215 9.5794 9.5794 9.5796 9.5796 10.3004 10.3004 10.3006 10.3006 11.4277 11.4277 11.4279 11.4279 k = 0.3100 0.3810-0.0000 ( 2252 PWs) bands (ev): -6.9460 -6.9460 -6.9458 -6.9458 -4.3216 -4.3216 -4.3213 -4.3213 1.9719 1.9719 1.9721 1.9721 3.1409 3.1409 3.1411 3.1411 4.6936 4.6936 4.6938 4.6938 6.3944 6.3944 6.3947 6.3947 6.8904 6.8904 6.8906 6.8906 7.6150 7.6150 7.6153 7.6153 8.5483 8.5483 8.5484 8.5484 9.5150 9.5150 9.5152 9.5152 10.2988 10.2988 10.2990 10.2990 11.3478 11.3478 11.3480 11.3480 k = 0.3000 0.3810-0.0000 ( 2252 PWs) bands (ev): -6.9774 -6.9774 -6.9772 -6.9772 -4.2995 -4.2995 -4.2992 -4.2992 2.0307 2.0307 2.0310 2.0310 3.1302 3.1302 3.1304 3.1304 4.6998 4.6998 4.7000 4.7000 6.4027 6.4027 6.4030 6.4030 6.8898 6.8898 6.8900 6.8900 7.6001 7.6001 7.6003 7.6003 8.5750 8.5750 8.5752 8.5752 9.4509 9.4509 9.4511 9.4511 10.2973 10.2973 10.2975 10.2975 11.2634 11.2634 11.2636 11.2636 k = 0.2900 0.3810-0.0000 ( 2240 PWs) bands (ev): -7.0086 -7.0086 -7.0084 -7.0084 -4.2779 -4.2779 -4.2777 -4.2777 2.0926 2.0926 2.0928 2.0928 3.1193 3.1193 3.1195 3.1195 4.7057 4.7057 4.7059 4.7059 6.4118 6.4118 6.4120 6.4120 6.8898 6.8898 6.8899 6.8899 7.5844 7.5844 7.5846 7.5846 8.6015 8.6015 8.6017 8.6017 9.3876 9.3876 9.3878 9.3878 10.2960 10.2960 10.2961 10.2961 11.1749 11.1749 11.1751 11.1751 k = 0.2800 0.3810-0.0000 ( 2244 PWs) bands (ev): -7.0396 -7.0396 -7.0394 -7.0394 -4.2571 -4.2571 -4.2568 -4.2568 2.1572 2.1572 2.1574 2.1574 3.1082 3.1082 3.1084 3.1084 4.7110 4.7110 4.7112 4.7112 6.4214 6.4214 6.4216 6.4216 6.8904 6.8904 6.8906 6.8906 7.5675 7.5675 7.5677 7.5677 8.6275 8.6275 8.6277 8.6277 9.3251 9.3251 9.3253 9.3253 10.2947 10.2947 10.2948 10.2948 11.0825 11.0825 11.0827 11.0827 k = 0.2700 0.3810-0.0000 ( 2238 PWs) bands (ev): -7.0702 -7.0702 -7.0700 -7.0700 -4.2369 -4.2369 -4.2367 -4.2367 2.2246 2.2246 2.2249 2.2249 3.0971 3.0971 3.0973 3.0973 4.7157 4.7157 4.7160 4.7160 6.4318 6.4318 6.4320 6.4320 6.8916 6.8916 6.8918 6.8918 7.5498 7.5498 7.5501 7.5501 8.6530 8.6530 8.6531 8.6531 9.2637 9.2637 9.2639 9.2639 10.2934 10.2934 10.2936 10.2936 10.9871 10.9871 10.9873 10.9873 k = 0.2600 0.3810-0.0000 ( 2226 PWs) bands (ev): -7.1003 -7.1003 -7.1001 -7.1001 -4.2175 -4.2175 -4.2173 -4.2173 2.2948 2.2948 2.2950 2.2950 3.0859 3.0859 3.0861 3.0861 4.7199 4.7199 4.7201 4.7201 6.4430 6.4430 6.4432 6.4432 6.8935 6.8935 6.8936 6.8936 7.5313 7.5313 7.5315 7.5315 8.6776 8.6776 8.6778 8.6778 9.2037 9.2037 9.2039 9.2039 10.2922 10.2922 10.2923 10.2923 10.8891 10.8891 10.8893 10.8893 k = 0.2500 0.3810-0.0000 ( 2222 PWs) bands (ev): -7.1299 -7.1299 -7.1297 -7.1297 -4.1989 -4.1989 -4.1987 -4.1987 2.3675 2.3675 2.3677 2.3677 3.0747 3.0747 3.0749 3.0749 4.7234 4.7234 4.7236 4.7236 6.4548 6.4548 6.4550 6.4550 6.8958 6.8958 6.8960 6.8960 7.5116 7.5116 7.5118 7.5118 8.7012 8.7012 8.7014 8.7014 9.1452 9.1452 9.1454 9.1454 10.2909 10.2909 10.2911 10.2911 10.7891 10.7891 10.7893 10.7893 k = 0.2400 0.3810-0.0000 ( 2222 PWs) bands (ev): -7.1589 -7.1589 -7.1587 -7.1587 -4.1812 -4.1812 -4.1810 -4.1810 2.4426 2.4426 2.4428 2.4428 3.0636 3.0636 3.0638 3.0638 4.7261 4.7261 4.7263 4.7263 6.4672 6.4672 6.4674 6.4674 6.8987 6.8987 6.8989 6.8989 7.4909 7.4909 7.4911 7.4911 8.7235 8.7235 8.7236 8.7236 9.0885 9.0885 9.0887 9.0887 10.2896 10.2896 10.2898 10.2898 10.6876 10.6876 10.6878 10.6878 k = 0.2300 0.3810-0.0000 ( 2222 PWs) bands (ev): -7.1871 -7.1871 -7.1869 -7.1869 -4.1644 -4.1644 -4.1641 -4.1641 2.5200 2.5200 2.5202 2.5202 3.0527 3.0527 3.0529 3.0529 4.7281 4.7281 4.7283 4.7283 6.4801 6.4801 6.4803 6.4803 6.9021 6.9021 6.9023 6.9023 7.4691 7.4691 7.4693 7.4693 8.7438 8.7438 8.7440 8.7440 9.0342 9.0342 9.0344 9.0344 10.2881 10.2881 10.2883 10.2883 10.5853 10.5853 10.5855 10.5855 k = 0.2200 0.3810-0.0000 ( 2224 PWs) bands (ev): -7.2146 -7.2146 -7.2144 -7.2144 -4.1485 -4.1485 -4.1482 -4.1482 2.5993 2.5993 2.5996 2.5996 3.0421 3.0421 3.0423 3.0423 4.7293 4.7293 4.7295 4.7295 6.4935 6.4935 6.4937 6.4937 6.9061 6.9061 6.9063 6.9063 7.4462 7.4462 7.4464 7.4464 8.7612 8.7612 8.7614 8.7614 8.9834 8.9834 8.9836 8.9836 10.2863 10.2863 10.2865 10.2865 10.4830 10.4830 10.4832 10.4832 k = 0.2100 0.3810-0.0000 ( 2224 PWs) bands (ev): -7.2412 -7.2412 -7.2410 -7.2410 -4.1334 -4.1334 -4.1332 -4.1332 2.6805 2.6805 2.6807 2.6807 3.0320 3.0320 3.0322 3.0322 4.7297 4.7297 4.7300 4.7300 6.5070 6.5070 6.5073 6.5073 6.9105 6.9105 6.9107 6.9107 7.4224 7.4224 7.4226 7.4226 8.7731 8.7731 8.7733 8.7733 8.9385 8.9385 8.9387 8.9387 10.2825 10.2825 10.2826 10.2826 10.3829 10.3829 10.3831 10.3831 k = 0.2000 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.2669 -7.2669 -7.2667 -7.2667 -4.1193 -4.1193 -4.1190 -4.1190 2.7628 2.7628 2.7630 2.7630 3.0228 3.0228 3.0230 3.0230 4.7294 4.7294 4.7296 4.7296 6.5206 6.5206 6.5208 6.5208 6.9155 6.9155 6.9156 6.9156 7.3978 7.3978 7.3980 7.3980 8.7739 8.7739 8.7741 8.7741 8.9052 8.9052 8.9053 8.9053 10.2570 10.2570 10.2571 10.2571 10.3051 10.3051 10.3052 10.3052 k = 0.1900 0.3810-0.0000 ( 2232 PWs) bands (ev): -7.2916 -7.2916 -7.2914 -7.2914 -4.1061 -4.1061 -4.1058 -4.1058 2.8447 2.8447 2.8449 2.8449 3.0159 3.0159 3.0161 3.0161 4.7282 4.7282 4.7284 4.7284 6.5337 6.5337 6.5339 6.5339 6.9209 6.9209 6.9211 6.9211 7.3723 7.3723 7.3725 7.3725 8.7565 8.7565 8.7567 8.7567 8.8904 8.8904 8.8906 8.8906 10.1692 10.1692 10.1694 10.1694 10.2910 10.2910 10.2911 10.2911 k = 0.1800 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.3153 -7.3153 -7.3151 -7.3151 -4.0937 -4.0937 -4.0934 -4.0934 2.9201 2.9201 2.9203 2.9203 3.0174 3.0174 3.0176 3.0176 4.7263 4.7263 4.7266 4.7266 6.5461 6.5461 6.5463 6.5463 6.9269 6.9269 6.9271 6.9271 7.3467 7.3467 7.3468 7.3468 8.7233 8.7233 8.7234 8.7234 8.8918 8.8918 8.8920 8.8920 10.0722 10.0722 10.0723 10.0723 10.2881 10.2881 10.2883 10.2883 k = 0.1700 0.3810-0.0000 ( 2236 PWs) bands (ev): -7.3380 -7.3380 -7.3378 -7.3378 -4.0822 -4.0822 -4.0820 -4.0820 2.9610 2.9610 2.9612 2.9612 3.0547 3.0547 3.0549 3.0549 4.7237 4.7237 4.7240 4.7240 6.5570 6.5570 6.5572 6.5572 6.9334 6.9334 6.9336 6.9336 7.3209 7.3209 7.3210 7.3210 8.6825 8.6825 8.6827 8.6827 8.9007 8.9007 8.9009 8.9009 9.9763 9.9763 9.9765 9.9765 10.2865 10.2865 10.2866 10.2866 k = 0.1600 0.3810-0.0000 ( 2240 PWs) bands (ev): -7.3596 -7.3596 -7.3594 -7.3594 -4.0716 -4.0716 -4.0713 -4.0713 2.9646 2.9646 2.9648 2.9648 3.1309 3.1309 3.1311 3.1311 4.7204 4.7204 4.7206 4.7206 6.5660 6.5660 6.5661 6.5661 6.9404 6.9404 6.9405 6.9405 7.2956 7.2956 7.2958 7.2958 8.6392 8.6392 8.6394 8.6394 8.9124 8.9124 8.9125 8.9125 9.8832 9.8832 9.8834 9.8834 10.2853 10.2853 10.2855 10.2855 k = 0.1500 0.3810-0.0000 ( 2236 PWs) bands (ev): -7.3801 -7.3801 -7.3799 -7.3799 -4.0617 -4.0617 -4.0615 -4.0615 2.9594 2.9594 2.9595 2.9595 3.2168 3.2168 3.2171 3.2171 4.7164 4.7164 4.7167 4.7167 6.5722 6.5722 6.5723 6.5723 6.9480 6.9480 6.9482 6.9482 7.2716 7.2716 7.2717 7.2717 8.5953 8.5953 8.5955 8.5955 8.9245 8.9245 8.9247 8.9247 9.7937 9.7937 9.7939 9.7939 10.2844 10.2844 10.2846 10.2846 k = 0.1400 0.3810-0.0000 ( 2236 PWs) bands (ev): -7.3993 -7.3993 -7.3991 -7.3991 -4.0527 -4.0527 -4.0525 -4.0525 2.9523 2.9523 2.9525 2.9525 3.3052 3.3052 3.3055 3.3055 4.7119 4.7119 4.7121 4.7121 6.5747 6.5747 6.5748 6.5748 6.9563 6.9563 6.9564 6.9564 7.2494 7.2494 7.2496 7.2496 8.5515 8.5515 8.5517 8.5517 8.9363 8.9363 8.9364 8.9364 9.7085 9.7085 9.7087 9.7087 10.2836 10.2836 10.2837 10.2837 k = 0.1300 0.3810-0.0000 ( 2236 PWs) bands (ev): -7.4174 -7.4174 -7.4172 -7.4172 -4.0445 -4.0445 -4.0442 -4.0442 2.9449 2.9449 2.9451 2.9451 3.3943 3.3943 3.3945 3.3945 4.7067 4.7067 4.7070 4.7070 6.5728 6.5728 6.5730 6.5730 6.9651 6.9651 6.9653 6.9653 7.2301 7.2301 7.2303 7.2303 8.5082 8.5082 8.5083 8.5083 8.9471 8.9471 8.9473 8.9473 9.6282 9.6282 9.6284 9.6284 10.2828 10.2828 10.2829 10.2829 k = 0.1200 0.3810-0.0000 ( 2232 PWs) bands (ev): -7.4343 -7.4343 -7.4341 -7.4341 -4.0370 -4.0370 -4.0367 -4.0367 2.9376 2.9376 2.9378 2.9378 3.4831 3.4831 3.4833 3.4833 4.7011 4.7011 4.7013 4.7013 6.5659 6.5659 6.5661 6.5661 6.9744 6.9744 6.9745 6.9745 7.2145 7.2145 7.2146 7.2146 8.4655 8.4655 8.4657 8.4657 8.9568 8.9568 8.9570 8.9570 9.5535 9.5535 9.5536 9.5536 10.2821 10.2821 10.2822 10.2822 k = 0.1100 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.4499 -7.4499 -7.4496 -7.4496 -4.0302 -4.0302 -4.0300 -4.0300 2.9307 2.9307 2.9309 2.9309 3.5710 3.5710 3.5712 3.5712 4.6948 4.6948 4.6950 4.6950 6.5536 6.5536 6.5538 6.5538 6.9836 6.9836 6.9838 6.9838 7.2033 7.2033 7.2035 7.2035 8.4236 8.4236 8.4238 8.4238 8.9650 8.9650 8.9652 8.9652 9.4848 9.4848 9.4849 9.4849 10.2814 10.2814 10.2815 10.2815 k = 0.1000 0.3810-0.0000 ( 2224 PWs) bands (ev): -7.4642 -7.4642 -7.4639 -7.4639 -4.0241 -4.0241 -4.0238 -4.0238 2.9241 2.9241 2.9243 2.9243 3.6573 3.6573 3.6575 3.6575 4.6880 4.6880 4.6882 4.6882 6.5361 6.5361 6.5362 6.5362 6.9924 6.9924 6.9926 6.9926 7.1973 7.1973 7.1974 7.1974 8.3827 8.3827 8.3828 8.3828 8.9715 8.9715 8.9717 8.9717 9.4227 9.4227 9.4228 9.4228 10.2808 10.2808 10.2809 10.2809 k = 0.0900 0.3810-0.0000 ( 2224 PWs) bands (ev): -7.4772 -7.4772 -7.4770 -7.4770 -4.0187 -4.0187 -4.0184 -4.0184 2.9181 2.9181 2.9183 2.9183 3.7410 3.7410 3.7413 3.7413 4.6806 4.6806 4.6809 4.6809 6.5138 6.5138 6.5139 6.5139 7.0003 7.0003 7.0005 7.0005 7.1963 7.1963 7.1964 7.1964 8.3429 8.3429 8.3430 8.3430 8.9761 8.9761 8.9763 8.9763 9.3677 9.3677 9.3678 9.3678 10.2802 10.2802 10.2804 10.2804 k = 0.0800 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.4889 -7.4889 -7.4886 -7.4886 -4.0139 -4.0139 -4.0137 -4.0137 2.9126 2.9126 2.9127 2.9127 3.8217 3.8217 3.8219 3.8219 4.6727 4.6727 4.6729 4.6729 6.4877 6.4877 6.4879 6.4879 7.0070 7.0070 7.0072 7.0072 7.2002 7.2002 7.2003 7.2003 8.3045 8.3045 8.3046 8.3046 8.9787 8.9787 8.9789 8.9789 9.3201 9.3201 9.3202 9.3202 10.2797 10.2797 10.2798 10.2798 k = 0.0700 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.4992 -7.4992 -7.4990 -7.4990 -4.0098 -4.0098 -4.0095 -4.0095 2.9076 2.9076 2.9078 2.9078 3.8982 3.8982 3.8985 3.8985 4.6643 4.6643 4.6645 4.6645 6.4592 6.4592 6.4594 6.4594 7.0124 7.0124 7.0126 7.0126 7.2082 7.2082 7.2084 7.2084 8.2679 8.2679 8.2680 8.2680 8.9791 8.9791 8.9793 8.9793 9.2801 9.2801 9.2802 9.2802 10.2793 10.2793 10.2794 10.2794 k = 0.0600 0.3810-0.0000 ( 2224 PWs) bands (ev): -7.5082 -7.5082 -7.5080 -7.5080 -4.0062 -4.0062 -4.0060 -4.0060 2.9033 2.9033 2.9035 2.9035 3.9696 3.9696 3.9699 3.9699 4.6554 4.6554 4.6556 4.6556 6.4298 6.4298 6.4300 6.4300 7.0166 7.0166 7.0168 7.0168 7.2191 7.2191 7.2193 7.2193 8.2338 8.2338 8.2339 8.2339 8.9774 8.9774 8.9776 8.9776 9.2477 9.2477 9.2478 9.2478 10.2789 10.2789 10.2790 10.2790 k = 0.0500 0.3810-0.0000 ( 2222 PWs) bands (ev): -7.5158 -7.5158 -7.5156 -7.5156 -4.0032 -4.0032 -4.0030 -4.0030 2.8996 2.8996 2.8998 2.8998 4.0346 4.0346 4.0348 4.0348 4.6461 4.6461 4.6463 4.6463 6.4012 6.4012 6.4014 6.4014 7.0198 7.0198 7.0200 7.0200 7.2316 7.2316 7.2319 7.2319 8.2028 8.2028 8.2029 8.2029 8.9740 8.9740 8.9742 8.9742 9.2226 9.2226 9.2227 9.2227 10.2785 10.2785 10.2786 10.2786 k = 0.0400 0.3810-0.0000 ( 2226 PWs) bands (ev): -7.5221 -7.5221 -7.5219 -7.5219 -4.0009 -4.0009 -4.0006 -4.0006 2.8965 2.8965 2.8967 2.8967 4.0917 4.0917 4.0919 4.0919 4.6367 4.6367 4.6369 4.6369 6.3748 6.3748 6.3750 6.3750 7.0221 7.0221 7.0223 7.0223 7.2442 7.2442 7.2445 7.2445 8.1757 8.1757 8.1758 8.1758 8.9695 8.9695 8.9697 8.9697 9.2039 9.2039 9.2040 9.2040 10.2782 10.2782 10.2783 10.2783 k = 0.0300 0.3810-0.0000 ( 2240 PWs) bands (ev): -7.5270 -7.5270 -7.5268 -7.5268 -3.9990 -3.9990 -3.9988 -3.9988 2.8941 2.8941 2.8943 2.8943 4.1392 4.1392 4.1394 4.1394 4.6277 4.6277 4.6278 4.6278 6.3523 6.3523 6.3525 6.3525 7.0237 7.0237 7.0239 7.0239 7.2556 7.2556 7.2559 7.2559 8.1533 8.1533 8.1535 8.1535 8.9647 8.9647 8.9649 8.9649 9.1906 9.1906 9.1907 9.1907 10.2779 10.2779 10.2780 10.2780 k = 0.0200 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.5305 -7.5305 -7.5303 -7.5303 -3.9976 -3.9976 -3.9974 -3.9974 2.8924 2.8924 2.8926 2.8926 4.1754 4.1754 4.1756 4.1756 4.6201 4.6201 4.6202 4.6202 6.3352 6.3352 6.3355 6.3355 7.0249 7.0249 7.0252 7.0252 7.2649 7.2649 7.2651 7.2651 8.1367 8.1367 8.1368 8.1368 8.9607 8.9607 8.9608 8.9608 9.1821 9.1821 9.1822 9.1822 10.2779 10.2779 10.2780 10.2780 k = 0.0100 0.3810-0.0000 ( 2224 PWs) bands (ev): -7.5326 -7.5326 -7.5324 -7.5324 -3.9968 -3.9968 -3.9966 -3.9966 2.8914 2.8914 2.8916 2.8916 4.1981 4.1981 4.1984 4.1984 4.6148 4.6148 4.6149 4.6149 6.3245 6.3245 6.3247 6.3247 7.0256 7.0256 7.0258 7.0258 7.2708 7.2708 7.2711 7.2711 8.1263 8.1263 8.1264 8.1264 8.9579 8.9579 8.9580 8.9580 9.1773 9.1773 9.1775 9.1775 10.2778 10.2778 10.2779 10.2779 k = 0.0000 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.5333 -7.5333 -7.5331 -7.5331 -3.9966 -3.9966 -3.9963 -3.9963 2.8911 2.8911 2.8913 2.8913 4.2059 4.2059 4.2062 4.2062 4.6129 4.6129 4.6130 4.6130 6.3208 6.3208 6.3210 6.3210 7.0258 7.0258 7.0261 7.0261 7.2728 7.2728 7.2731 7.2731 8.1228 8.1228 8.1229 8.1229 8.9569 8.9569 8.9571 8.9571 9.1758 9.1758 9.1759 9.1759 10.2778 10.2778 10.2778 10.2778 k = 0.0000 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.5333 -7.5333 -7.5331 -7.5331 -3.9966 -3.9966 -3.9963 -3.9963 2.8911 2.8911 2.8913 2.8913 4.2059 4.2059 4.2062 4.2062 4.6129 4.6129 4.6130 4.6130 6.3208 6.3208 6.3210 6.3210 7.0258 7.0258 7.0261 7.0261 7.2728 7.2728 7.2731 7.2731 8.1228 8.1228 8.1229 8.1229 8.9569 8.9569 8.9571 8.9571 9.1758 9.1758 9.1759 9.1759 10.2778 10.2778 10.2778 10.2778 k = 0.0000 0.3710-0.0000 ( 2232 PWs) bands (ev): -7.5554 -7.5554 -7.5160 -7.5160 -4.0096 -4.0096 -3.9739 -3.9739 2.8832 2.8832 2.9013 2.9013 4.1771 4.1771 4.2174 4.2174 4.6057 4.6057 4.6361 4.6361 6.3063 6.3063 6.3331 6.3331 7.0056 7.0056 7.0410 7.0410 7.2213 7.2213 7.3065 7.3065 8.1083 8.1083 8.1621 8.1621 8.8940 8.8940 9.0067 9.0067 9.1433 9.1433 9.2131 9.2131 10.2132 10.2132 10.3524 10.3524 k = 0.0000 0.3610-0.0000 ( 2224 PWs) bands (ev): -7.5825 -7.5825 -7.5041 -7.5041 -4.0131 -4.0131 -3.9422 -3.9422 2.8775 2.8775 2.9135 2.9135 4.1358 4.1358 4.2091 4.2091 4.6167 4.6167 4.6701 4.6701 6.2890 6.2890 6.3427 6.3427 6.9821 6.9821 7.0420 7.0420 7.1680 7.1680 7.3153 7.3153 8.1237 8.1237 8.2182 8.2182 8.8197 8.8197 9.0445 9.0445 9.1175 9.1175 9.2487 9.2487 10.1638 10.1638 10.4336 10.4336 k = 0.0000 0.3509-0.0000 ( 2228 PWs) bands (ev): -7.6140 -7.6140 -7.4977 -7.4977 -4.0069 -4.0069 -3.9016 -3.9016 2.8738 2.8738 2.9278 2.9278 4.0867 4.0867 4.1837 4.1837 4.6428 4.6428 4.7099 4.7099 6.2681 6.2681 6.3495 6.3495 6.9554 6.9554 7.0092 7.0092 7.1406 7.1406 7.3008 7.3008 8.1681 8.1681 8.2838 8.2838 8.7377 8.7377 9.0710 9.0710 9.0993 9.0993 9.2739 9.2739 10.1354 10.1354 10.5187 10.5187 k = 0.0000 0.3409-0.0000 ( 2216 PWs) bands (ev): -7.6495 -7.6495 -7.4966 -7.4966 -3.9909 -3.9909 -3.8528 -3.8528 2.8724 2.8724 2.9443 2.9443 4.0330 4.0330 4.1466 4.1466 4.6782 4.6782 4.7519 4.7519 6.2431 6.2431 6.3528 6.3528 6.9199 6.9199 6.9531 6.9531 7.1393 7.1393 7.2720 7.2720 8.2351 8.2351 8.3537 8.3537 8.6517 8.6517 9.0721 9.0721 9.1032 9.1032 9.2825 9.2825 10.1331 10.1331 10.6062 10.6062 k = 0.0000 0.3309-0.0000 ( 2218 PWs) bands (ev): -7.6886 -7.6886 -7.5008 -7.5008 -3.9654 -3.9654 -3.7961 -3.7961 2.8730 2.8730 2.9628 2.9628 3.9766 3.9766 4.1024 4.1024 4.7172 4.7172 4.7937 4.7937 6.2130 6.2130 6.3514 6.3514 6.8601 6.8601 6.9127 6.9127 7.1419 7.1419 7.2410 7.2410 8.3170 8.3170 8.4222 8.4222 8.5656 8.5656 9.0587 9.0587 9.1140 9.1140 9.2762 9.2762 10.1580 10.1580 10.6948 10.6948 k = 0.0000 0.3208-0.0000 ( 2214 PWs) bands (ev): -7.7307 -7.7307 -7.5100 -7.5100 -3.9306 -3.9306 -3.7321 -3.7321 2.8759 2.8759 2.9834 2.9834 3.9186 3.9186 4.0540 4.0540 4.7557 4.7557 4.8330 4.8330 6.1775 6.1775 6.3440 6.3440 6.7938 6.7938 6.8814 6.8814 7.1340 7.1340 7.2235 7.2235 8.4039 8.4039 8.4563 8.4563 8.5157 8.5157 9.0451 9.0451 9.1069 9.1069 9.2687 9.2687 10.2069 10.2069 10.7837 10.7837 k = 0.0000 0.3108-0.0000 ( 2218 PWs) bands (ev): -7.7754 -7.7754 -7.5239 -7.5239 -3.8869 -3.8869 -3.6612 -3.6612 2.8809 2.8809 3.0059 3.0059 3.8598 3.8598 4.0034 4.0034 4.7898 4.7898 4.8679 4.8679 6.1375 6.1375 6.3297 6.3297 6.7345 6.7345 6.8504 6.8504 7.1142 7.1142 7.2245 7.2245 8.3717 8.3717 8.5081 8.5081 8.5688 8.5688 9.0322 9.0322 9.0704 9.0704 9.2758 9.2758 10.2739 10.2739 10.8724 10.8724 k = 0.0000 0.3008-0.0000 ( 2218 PWs) bands (ev): -7.8222 -7.8222 -7.5422 -7.5422 -3.8346 -3.8346 -3.5841 -3.5841 2.8880 2.8880 3.0302 3.0302 3.8005 3.8005 3.9517 3.9517 4.8159 4.8159 4.8966 4.8966 6.0953 6.0953 6.3082 6.3082 6.6856 6.6856 6.8189 6.8189 7.0946 7.0946 7.2352 7.2352 8.2867 8.2867 8.6013 8.6013 8.6313 8.6313 9.0085 9.0085 9.0212 9.0212 9.2982 9.2982 10.3538 10.3538 10.9603 10.9603 k = 0.0000 0.2908-0.0000 ( 2226 PWs) bands (ev): -7.8707 -7.8707 -7.5643 -7.5643 -3.7744 -3.7744 -3.5013 -3.5013 2.8972 2.8972 3.0565 3.0565 3.7411 3.7411 3.8997 3.8997 4.8303 4.8303 4.9168 4.9168 6.0548 6.0548 6.2810 6.2810 6.6470 6.6470 6.7868 6.7868 7.0827 7.0827 7.2496 7.2496 8.2018 8.2018 8.6749 8.6749 8.7065 8.7065 8.9364 8.9364 9.0096 9.0096 9.3296 9.3296 10.4423 10.4423 11.0471 11.0471 k = 0.0000 0.2807-0.0000 ( 2232 PWs) bands (ev): -7.9203 -7.9203 -7.5899 -7.5899 -3.7066 -3.7066 -3.4131 -3.4131 2.9085 2.9085 3.0846 3.0846 3.6818 3.6818 3.8480 3.8480 4.8291 4.8291 4.9265 4.9265 6.0207 6.0207 6.2515 6.2515 6.6163 6.6163 6.7554 6.7554 7.0808 7.0808 7.2656 7.2656 8.1194 8.1194 8.7245 8.7245 8.7758 8.7758 8.8753 8.8753 9.0021 9.0021 9.3661 9.3661 10.5365 10.5365 11.1324 11.1324 k = 0.0000 0.2707-0.0000 ( 2230 PWs) bands (ev): -7.9708 -7.9708 -7.6184 -7.6184 -3.6319 -3.6319 -3.3200 -3.3200 2.9219 2.9219 3.1144 3.1144 3.6226 3.6226 3.7968 3.7968 4.8094 4.8094 4.9234 4.9234 5.9977 5.9977 6.2241 6.2241 6.5891 6.5891 6.7270 6.7270 7.0882 7.0882 7.2828 7.2828 8.0402 8.0402 8.7215 8.7215 8.7844 8.7844 8.9012 8.9012 9.0089 9.0089 9.4054 9.4054 10.6342 10.6342 11.2161 11.2161 k = 0.0000 0.2607-0.0000 ( 2228 PWs) bands (ev): -8.0217 -8.0217 -7.6493 -7.6493 -3.5509 -3.5509 -3.2226 -3.2226 2.9374 2.9374 3.1456 3.1456 3.5637 3.5637 3.7465 3.7465 4.7695 4.7695 4.9059 4.9059 5.9887 5.9887 6.2032 6.2032 6.5600 6.5600 6.7050 6.7050 7.1035 7.1035 7.3009 7.3009 7.9649 7.9649 8.6389 8.6389 8.8194 8.8194 8.9269 8.9269 9.0582 9.0582 9.4459 9.4459 10.7339 10.7339 11.2979 11.2979 k = 0.0000 0.2507-0.0000 ( 2232 PWs) bands (ev): -8.0727 -8.0727 -7.6822 -7.6822 -3.4641 -3.4641 -3.1213 -3.1213 2.9548 2.9548 3.1781 3.1781 3.5051 3.5051 3.6973 3.6973 4.7099 4.7099 4.8731 4.8731 5.9941 5.9941 6.1920 6.1920 6.5252 6.5252 6.6917 6.6917 7.1246 7.1246 7.3203 7.3203 7.8938 7.8938 8.5451 8.5451 8.8543 8.8543 8.9231 8.9231 9.1388 9.1388 9.4862 9.4862 10.8346 10.8346 11.3777 11.3777 k = 0.0000 0.2406-0.0000 ( 2232 PWs) bands (ev): -8.1235 -8.1235 -7.7166 -7.7166 -3.3720 -3.3720 -3.0164 -3.0164 2.9742 2.9742 3.2113 3.2113 3.4472 3.4472 3.6496 3.6496 4.6326 4.6326 4.8253 4.8253 6.0122 6.0122 6.1921 6.1921 6.4843 6.4843 6.6872 6.6872 7.1495 7.1495 7.3417 7.3417 7.8272 7.8272 8.4487 8.4487 8.8860 8.8860 8.9101 8.9101 9.2258 9.2258 9.5252 9.5252 10.9355 10.9355 11.4554 11.4554 k = 0.0000 0.2306-0.0000 ( 2233 PWs) bands (ev): -8.1737 -8.1737 -7.7520 -7.7520 -3.2752 -3.2752 -2.9083 -2.9083 2.9955 2.9955 3.2435 3.2435 3.3912 3.3912 3.6034 3.6034 4.5407 4.5407 4.7638 4.7638 6.0400 6.0400 6.2034 6.2034 6.4393 6.4393 6.6899 6.6899 7.1759 7.1759 7.3658 7.3658 7.7654 7.7654 8.3517 8.3517 8.8934 8.8934 8.9146 8.9146 9.3124 9.3124 9.5620 9.5620 11.0358 11.0358 11.5307 11.5307 k = 0.0000 0.2206-0.0000 ( 2229 PWs) bands (ev): -8.2233 -8.2233 -7.7882 -7.7882 -3.1743 -3.1743 -2.7975 -2.7975 3.0186 3.0186 3.2662 3.2662 3.3450 3.3450 3.5594 3.5594 4.4374 4.4374 4.6911 4.6911 6.0730 6.0730 6.2236 6.2236 6.3946 6.3946 6.6984 6.6984 7.2015 7.2015 7.3936 7.3936 7.7081 7.7081 8.2554 8.2554 8.8745 8.8745 8.9403 8.9403 9.3965 9.3965 9.5959 9.5959 11.1352 11.1352 11.6036 11.6036 k = 0.0000 0.2106-0.0000 ( 2229 PWs) bands (ev): -8.2718 -8.2718 -7.8247 -7.8247 -3.0698 -3.0698 -2.6842 -2.6842 3.0434 3.0434 3.2450 3.2450 3.3417 3.3417 3.5183 3.5183 4.3254 4.3254 4.6094 4.6094 6.1049 6.1049 6.2456 6.2456 6.3608 6.3608 6.7118 6.7118 7.2245 7.2245 7.4257 7.4257 7.6555 7.6555 8.1609 8.1609 8.8537 8.8537 8.9632 8.9632 9.4774 9.4774 9.6264 9.6264 11.2332 11.2332 11.6739 11.6739 k = 0.0000 0.2005-0.0000 ( 2231 PWs) bands (ev): -8.3191 -8.3191 -7.8612 -7.8612 -2.9622 -2.9622 -2.5690 -2.5690 3.0698 3.0698 3.1917 3.1917 3.3663 3.3663 3.4832 3.4832 4.2072 4.2072 4.5213 4.5213 6.1220 6.1220 6.2574 6.2574 6.3598 6.3598 6.7297 6.7297 7.2433 7.2433 7.4622 7.4622 7.6073 7.6073 8.0693 8.0693 8.8310 8.8310 8.9833 8.9833 9.5546 9.5546 9.6535 9.6535 11.3294 11.3294 11.7415 11.7415 k = 0.0000 0.1905-0.0000 ( 2231 PWs) bands (ev): -8.3651 -8.3651 -7.8974 -7.8974 -2.8519 -2.8519 -2.4521 -2.4521 3.0967 3.0967 3.1326 3.1326 3.3810 3.3810 3.4657 3.4657 4.0849 4.0849 4.4295 4.4295 6.1049 6.1049 6.2742 6.2742 6.3931 6.3931 6.7527 6.7527 7.2572 7.2572 7.5015 7.5015 7.5639 7.5639 7.9823 7.9823 8.8066 8.8066 9.0005 9.0005 9.6274 9.6274 9.6773 9.6773 11.4232 11.4232 11.8065 11.8065 k = 0.0000 0.1805-0.0000 ( 2235 PWs) bands (ev): -8.4095 -8.4095 -7.9331 -7.9331 -2.7395 -2.7395 -2.3339 -2.3339 3.0662 3.0662 3.1292 3.1292 3.3657 3.3657 3.4811 3.4811 3.9604 3.9604 4.3361 4.3361 6.0581 6.0581 6.3085 6.3085 6.4401 6.4401 6.7814 6.7814 7.2657 7.2657 7.5168 7.5168 7.5493 7.5493 7.9025 7.9025 8.7805 8.7805 9.0143 9.0143 9.6882 9.6882 9.7056 9.7056 11.5144 11.5144 11.8686 11.8686 k = 0.0000 0.1704-0.0000 ( 2241 PWs) bands (ev): -8.4522 -8.4522 -7.9679 -7.9679 -2.6256 -2.6256 -2.2148 -2.2148 3.0007 3.0007 3.1596 3.1596 3.3352 3.3352 3.5122 3.5122 3.8365 3.8365 4.2429 4.2429 5.9983 5.9983 6.3514 6.3514 6.4907 6.4907 6.8172 6.8172 7.2682 7.2682 7.4814 7.4814 7.5857 7.5857 7.8348 7.8348 8.7527 8.7527 9.0243 9.0243 9.7105 9.7105 9.7649 9.7649 11.6027 11.6027 11.9277 11.9277 k = 0.0000 0.1604-0.0000 ( 2237 PWs) bands (ev): -8.4930 -8.4930 -8.0017 -8.0017 -2.5106 -2.5106 -2.0952 -2.0952 2.9321 2.9321 3.1916 3.1916 3.3015 3.3015 3.5402 3.5402 3.7209 3.7209 4.1517 4.1517 5.9328 5.9328 6.3973 6.3973 6.5403 6.5403 6.8612 6.8612 7.2633 7.2633 7.4459 7.4459 7.6129 7.6129 7.7899 7.7899 8.7235 8.7235 9.0300 9.0300 9.7251 9.7251 9.8254 9.8254 11.6878 11.6878 11.9841 11.9841 k = 0.0000 0.1504-0.0000 ( 2239 PWs) bands (ev): -8.5319 -8.5319 -8.0342 -8.0342 -2.3951 -2.3951 -1.9756 -1.9756 2.8607 2.8607 3.2236 3.2236 3.2678 3.2678 3.5222 3.5222 3.6544 3.6544 4.0638 4.0638 5.8647 5.8647 6.4433 6.4433 6.5869 6.5869 6.9139 6.9139 7.2488 7.2488 7.4129 7.4129 7.6145 7.6145 7.7833 7.7833 8.6928 8.6928 9.0306 9.0306 9.7374 9.7374 9.8821 9.8821 11.7694 11.7694 12.0373 12.0373 k = 0.0000 0.1404-0.0000 ( 2239 PWs) bands (ev): -8.5688 -8.5688 -8.0653 -8.0653 -2.2796 -2.2796 -1.8565 -1.8565 2.7864 2.7864 3.2252 3.2252 3.2630 3.2630 3.4276 3.4276 3.6697 3.6697 3.9806 3.9806 5.7956 5.7956 6.4874 6.4874 6.6304 6.6304 6.9745 6.9745 7.2224 7.2224 7.3843 7.3843 7.5960 7.5960 7.8098 7.8098 8.6609 8.6609 9.0254 9.0254 9.7485 9.7485 9.9347 9.9347 11.8471 11.8471 12.0874 12.0874 k = 0.0000 0.1303-0.0000 ( 2229 PWs) bands (ev): -8.6034 -8.6034 -8.0949 -8.0949 -2.1649 -2.1649 -1.7383 -1.7383 2.7096 2.7096 3.1809 3.1809 3.2961 3.2961 3.3236 3.3236 3.7062 3.7062 3.9030 3.9030 5.7265 5.7265 6.5279 6.5279 6.6722 6.6722 7.0391 7.0391 7.1861 7.1861 7.3620 7.3620 7.5761 7.5761 7.8498 7.8498 8.6282 8.6282 9.0139 9.0139 9.7590 9.7590 9.9833 9.9833 11.9208 11.9208 12.1345 12.1345 k = 0.0000 0.1203-0.0000 ( 2237 PWs) bands (ev): -8.6358 -8.6358 -8.1228 -8.1228 -2.0516 -2.0516 -1.6218 -1.6218 2.6301 2.6301 3.1100 3.1100 3.2441 3.2441 3.3313 3.3313 3.7459 3.7459 3.8319 3.8319 5.6582 5.6582 6.5632 6.5632 6.7137 6.7137 7.0842 7.0842 7.1645 7.1645 7.3453 7.3453 7.5617 7.5617 7.8932 7.8932 8.5948 8.5948 8.9952 8.9952 9.7695 9.7695 10.0278 10.0278 11.9901 11.9901 12.1783 12.1783 k = 0.0000 0.1103-0.0000 ( 2241 PWs) bands (ev): -8.6659 -8.6659 -8.1488 -8.1488 -1.9405 -1.9405 -1.5076 -1.5076 2.5488 2.5488 3.0103 3.0103 3.1969 3.1969 3.3667 3.3667 3.7611 3.7611 3.7927 3.7927 5.5914 5.5914 6.5928 6.5928 6.7558 6.7558 7.0539 7.0539 7.2159 7.2159 7.3337 7.3337 7.5539 7.5539 7.9359 7.9359 8.5615 8.5615 8.9695 8.9695 9.7806 9.7806 10.0683 10.0683 12.0546 12.0546 12.2188 12.2188 k = 0.0000 0.1003-0.0000 ( 2239 PWs) bands (ev): -8.6936 -8.6936 -8.1729 -8.1729 -1.8325 -1.8325 -1.3964 -1.3964 2.4668 2.4668 2.9002 2.9002 3.1651 3.1651 3.4020 3.4020 3.7059 3.7059 3.8302 3.8302 5.5268 5.5268 6.6168 6.6168 6.7979 6.7979 6.9998 6.9998 7.2856 7.2856 7.3311 7.3311 7.5524 7.5524 7.9758 7.9758 8.5290 8.5290 8.9364 8.9364 9.7922 9.7922 10.1050 10.1050 12.1144 12.1144 12.2564 12.2564 k = 0.0000 0.0902-0.0000 ( 2243 PWs) bands (ev): -8.7188 -8.7188 -8.1949 -8.1949 -1.7285 -1.7285 -1.2894 -1.2894 2.3848 2.3848 2.7897 2.7897 3.1401 3.1401 3.4366 3.4366 3.6544 3.6544 3.8692 3.8692 5.4650 5.4650 6.6361 6.6361 6.8369 6.8369 6.9462 6.9462 7.3081 7.3081 7.3805 7.3805 7.5580 7.5580 8.0111 8.0111 8.4982 8.4982 8.8963 8.8963 9.8045 9.8045 10.1378 10.1378 12.1687 12.1687 12.2908 12.2908 k = 0.0000 0.0802-0.0000 ( 2241 PWs) bands (ev): -8.7414 -8.7414 -8.2149 -8.2149 -1.6297 -1.6297 -1.1873 -1.1873 2.3047 2.3047 2.6832 2.6832 3.1192 3.1192 3.4701 3.4701 3.6094 3.6094 3.9064 3.9064 5.4066 5.4066 6.6516 6.6516 6.8532 6.8532 6.9152 6.9152 7.3064 7.3064 7.4489 7.4489 7.5764 7.5764 8.0402 8.0402 8.4703 8.4703 8.8496 8.8496 9.8171 9.8171 10.1669 10.1669 12.2175 12.2175 12.3221 12.3221 k = 0.0000 0.0702-0.0000 ( 2241 PWs) bands (ev): -8.7616 -8.7616 -8.2326 -8.2326 -1.5373 -1.5373 -1.0917 -1.0917 2.2275 2.2275 2.5829 2.5829 3.1013 3.1013 3.5017 3.5017 3.5707 3.5707 3.9412 3.9412 5.3524 5.3524 6.6639 6.6639 6.8181 6.8181 6.9365 6.9365 7.3052 7.3052 7.4965 7.4965 7.6211 7.6211 8.0616 8.0616 8.4468 8.4468 8.7969 8.7969 9.8298 9.8298 10.1924 10.1924 12.2606 12.2606 12.3504 12.3504 k = 0.0000 0.0602-0.0000 ( 2245 PWs) bands (ev): -8.7791 -8.7791 -8.2482 -8.2482 -1.4527 -1.4527 -1.0038 -1.0038 2.1553 2.1553 2.4904 2.4904 3.0860 3.0860 3.5274 3.5274 3.5417 3.5417 3.9729 3.9729 5.3033 5.3033 6.6734 6.6734 6.7736 6.7736 6.9682 6.9682 7.3060 7.3060 7.5202 7.5202 7.6920 7.6920 8.0745 8.0745 8.4287 8.4287 8.7391 8.7391 9.8419 9.8419 10.2143 10.2143 12.2976 12.2976 12.3756 12.3756 k = 0.0000 0.0501-0.0000 ( 2237 PWs) bands (ev): -8.7940 -8.7940 -8.2614 -8.2614 -1.3773 -1.3773 -0.9251 -0.9251 2.0898 2.0898 2.4078 2.4078 3.0733 3.0733 3.5086 3.5086 3.5599 3.5599 4.0011 4.0011 5.2600 5.2600 6.6801 6.6801 6.7334 6.7334 6.9972 6.9972 7.3089 7.3089 7.5339 7.5339 7.7737 7.7737 8.0788 8.0788 8.4161 8.4161 8.6775 8.6775 9.8532 9.8532 10.2328 10.2328 12.3285 12.3285 12.3979 12.3979 k = 0.0000 0.0401-0.0000 ( 2239 PWs) bands (ev): -8.8062 -8.8062 -8.2722 -8.2722 -1.3128 -1.3128 -0.8575 -0.8575 2.0328 2.0328 2.3368 2.3368 3.0629 3.0629 3.4870 3.4870 3.5827 3.5827 4.0248 4.0248 5.2230 5.2230 6.6800 6.6800 6.7042 6.7042 7.0210 7.0210 7.3132 7.3132 7.5445 7.5445 7.8576 7.8576 8.0760 8.0760 8.4078 8.4078 8.6141 8.6141 9.8632 9.8632 10.2478 10.2478 12.3531 12.3531 12.4168 12.4168 k = 0.0000 0.0301-0.0000 ( 2235 PWs) bands (ev): -8.8157 -8.8157 -8.2807 -8.2807 -1.2605 -1.2605 -0.8025 -0.8025 1.9863 1.9863 2.2793 2.2793 3.0549 3.0549 3.4702 3.4702 3.6016 3.6016 4.0439 4.0439 5.1934 5.1934 6.6621 6.6621 6.6982 6.6982 7.0393 7.0393 7.3182 7.3182 7.5535 7.5535 7.9398 7.9398 8.0691 8.0691 8.3998 8.3998 8.5528 8.5528 9.8714 9.8714 10.2595 10.2595 12.3718 12.3718 12.4321 12.4321 k = 0.0000 0.0201-0.0000 ( 2243 PWs) bands (ev): -8.8225 -8.8225 -8.2868 -8.2868 -1.2221 -1.2221 -0.7619 -0.7619 1.9516 1.9516 2.2365 2.2365 3.0491 3.0491 3.4581 3.4581 3.6156 3.6156 4.0579 4.0579 5.1716 5.1716 6.6431 6.6431 6.6997 6.6997 7.0519 7.0519 7.3229 7.3229 7.5606 7.5606 8.0147 8.0147 8.0620 8.0620 8.3855 8.3855 8.5017 8.5017 9.8774 9.8774 10.2679 10.2679 12.3848 12.3848 12.4435 12.4435 k = 0.0000 0.0100-0.0000 ( 2239 PWs) bands (ev): -8.8266 -8.8266 -8.2905 -8.2905 -1.1984 -1.1984 -0.7369 -0.7369 1.9303 1.9303 2.2103 2.2103 3.0458 3.0458 3.4510 3.4510 3.6243 3.6243 4.0664 4.0664 5.1583 5.1583 6.6309 6.6309 6.7011 6.7011 7.0593 7.0593 7.3261 7.3261 7.5655 7.5655 8.0505 8.0505 8.0811 8.0811 8.3607 8.3607 8.4728 8.4728 9.8812 9.8812 10.2728 10.2728 12.3925 12.3925 12.4505 12.4505 k = 0.0000 0.0000 0.0000 ( 2241 PWs) bands (ev): -8.8279 -8.8279 -8.2917 -8.2917 -1.1905 -1.1905 -0.7284 -0.7284 1.9231 1.9231 2.2015 2.2015 3.0447 3.0447 3.4486 3.4486 3.6272 3.6272 4.0693 4.0693 5.1539 5.1539 6.6267 6.6267 6.7016 6.7016 7.0617 7.0617 7.3272 7.3272 7.5673 7.5673 8.0497 8.0497 8.1056 8.1056 8.3452 8.3452 8.4648 8.4648 9.8825 9.8825 10.2745 10.2745 12.3949 12.3949 12.4528 12.4528 k = 0.0000 0.0000 0.0000 ( 2241 PWs) bands (ev): -8.8279 -8.8279 -8.2917 -8.2917 -1.1905 -1.1905 -0.7284 -0.7284 1.9231 1.9231 2.2015 2.2015 3.0447 3.0447 3.4486 3.4486 3.6272 3.6272 4.0693 4.0693 5.1539 5.1539 6.6267 6.6267 6.7016 6.7016 7.0617 7.0617 7.3272 7.3272 7.5673 7.5673 8.0497 8.0497 8.1056 8.1056 8.3452 8.3452 8.4648 8.4648 9.8825 9.8825 10.2745 10.2745 12.3949 12.3949 12.4528 12.4528 k = 0.0000 0.0000 0.0101 ( 2241 PWs) bands (ev): -8.8276 -8.8276 -8.2920 -8.2920 -1.1903 -1.1903 -0.7289 -0.7289 1.9233 1.9233 2.2014 2.2014 3.0441 3.0441 3.4438 3.4438 3.6324 3.6324 4.0702 4.0702 5.1532 5.1532 6.6130 6.6130 6.7117 6.7117 7.0620 7.0620 7.3273 7.3273 7.5665 7.5665 8.0504 8.0504 8.1066 8.1066 8.3457 8.3457 8.4650 8.4650 9.8861 9.8861 10.2763 10.2763 12.3943 12.3943 12.4521 12.4521 k = 0.0000 0.0000 0.0201 ( 2237 PWs) bands (ev): -8.8265 -8.8265 -8.2929 -8.2929 -1.1896 -1.1896 -0.7301 -0.7301 1.9240 1.9240 2.2012 2.2012 3.0428 3.0428 3.4305 3.4305 3.6465 3.6465 4.0727 4.0727 5.1514 5.1514 6.5823 6.5823 6.7316 6.7316 7.0628 7.0628 7.3272 7.3272 7.5642 7.5642 8.0525 8.0525 8.1095 8.1095 8.3471 8.3471 8.4656 8.4656 9.8969 9.8969 10.2817 10.2817 12.3921 12.3921 12.4497 12.4497 k = 0.0000 0.0000 0.0302 ( 2241 PWs) bands (ev): -8.8247 -8.8247 -8.2945 -8.2945 -1.1885 -1.1885 -0.7321 -0.7321 1.9251 1.9251 2.2008 2.2008 3.0407 3.0407 3.4116 3.4116 3.6669 3.6669 4.0768 4.0768 5.1482 5.1482 6.5440 6.5440 6.7523 6.7523 7.0639 7.0639 7.3270 7.3270 7.5603 7.5603 8.0560 8.0560 8.1143 8.1143 8.3494 8.3494 8.4664 8.4664 9.9148 9.9148 10.2906 10.2906 12.3884 12.3884 12.4456 12.4456 k = 0.0000 0.0000 0.0403 ( 2253 PWs) bands (ev): -8.8221 -8.8221 -8.2967 -8.2967 -1.1870 -1.1870 -0.7348 -0.7348 1.9267 1.9267 2.2002 2.2002 3.0377 3.0377 3.3894 3.3894 3.6911 3.6911 4.0825 4.0825 5.1437 5.1437 6.5004 6.5004 6.7714 6.7714 7.0653 7.0653 7.3268 7.3268 7.5550 7.5550 8.0608 8.0608 8.1208 8.1208 8.3523 8.3523 8.4675 8.4675 9.9394 9.9394 10.3029 10.3029 12.3831 12.3831 12.4398 12.4398 k = 0.0000 0.0000 0.0504 ( 2253 PWs) bands (ev): -8.8189 -8.8189 -8.2996 -8.2996 -1.1851 -1.1851 -0.7384 -0.7384 1.9287 1.9287 2.1995 2.1995 3.0339 3.0339 3.3653 3.3653 3.7181 3.7181 4.0899 4.0899 5.1381 5.1381 6.4527 6.4527 6.7888 6.7888 7.0671 7.0671 7.3265 7.3265 7.5485 7.5485 8.0670 8.0670 8.1289 8.1289 8.3559 8.3559 8.4688 8.4688 9.9706 9.9706 10.3189 10.3189 12.3766 12.3766 12.4327 12.4327 k = 0.0000 0.0000 0.0604 ( 2251 PWs) bands (ev): -8.8149 -8.8149 -8.3030 -8.3030 -1.1827 -1.1827 -0.7427 -0.7427 1.9311 1.9311 2.1986 2.1986 3.0294 3.0294 3.3402 3.3402 3.7468 3.7468 4.0990 4.0990 5.1315 5.1315 6.4015 6.4015 6.8044 6.8044 7.0690 7.0690 7.3262 7.3262 7.5409 7.5409 8.0744 8.0744 8.1384 8.1384 8.3600 8.3600 8.4702 8.4702 10.0079 10.0079 10.3382 10.3382 12.3688 12.3688 12.4242 12.4242 k = 0.0000 0.0000 0.0705 ( 2247 PWs) bands (ev): -8.8103 -8.8103 -8.3071 -8.3071 -1.1798 -1.1798 -0.7477 -0.7477 1.9341 1.9341 2.1976 2.1976 3.0242 3.0242 3.3146 3.3146 3.7769 3.7769 4.1096 4.1096 5.1236 5.1236 6.3471 6.3471 6.8183 6.8183 7.0709 7.0709 7.3258 7.3258 7.5325 7.5325 8.0831 8.0831 8.1490 8.1490 8.3645 8.3645 8.4716 8.4716 10.0509 10.0509 10.3609 10.3609 12.3597 12.3597 12.4143 12.4143 k = 0.0000 0.0000 0.0806 ( 2245 PWs) bands (ev): -8.8050 -8.8050 -8.3117 -8.3117 -1.1766 -1.1766 -0.7535 -0.7535 1.9374 1.9374 2.1963 2.1963 3.0184 3.0184 3.2888 3.2888 3.8080 3.8080 4.1217 4.1217 5.1145 5.1145 6.2899 6.2899 6.8309 6.8309 7.0728 7.0728 7.3252 7.3252 7.5234 7.5234 8.0927 8.0927 8.1607 8.1607 8.3692 8.3692 8.4730 8.4730 10.0989 10.0989 10.3868 10.3868 12.3496 12.3496 12.4032 12.4032 k = 0.0000 0.0000 0.0906 ( 2242 PWs) bands (ev): -8.7990 -8.7990 -8.3170 -8.3170 -1.1729 -1.1729 -0.7599 -0.7599 1.9411 1.9411 2.1949 2.1949 3.0119 3.0119 3.2631 3.2631 3.8402 3.8402 4.1354 4.1354 5.1043 5.1043 6.2303 6.2303 6.8423 6.8423 7.0745 7.0745 7.3245 7.3245 7.5139 7.5139 8.1033 8.1033 8.1730 8.1730 8.3740 8.3740 8.4742 8.4742 10.1515 10.1515 10.4158 10.4158 12.3383 12.3383 12.3909 12.3909 k = 0.0000 0.0000 0.1007 ( 2252 PWs) bands (ev): -8.7924 -8.7924 -8.3229 -8.3229 -1.1688 -1.1688 -0.7670 -0.7670 1.9453 1.9453 2.1931 2.1931 3.0049 3.0049 3.2376 3.2376 3.8732 3.8732 4.1503 4.1503 5.0929 5.0929 6.1685 6.1685 6.8526 6.8526 7.0758 7.0758 7.3236 7.3236 7.5038 7.5038 8.1148 8.1148 8.1857 8.1857 8.3788 8.3788 8.4752 8.4752 10.2080 10.2080 10.4478 10.4478 12.3263 12.3263 12.3777 12.3777 k = 0.0000 0.0000 0.1108 ( 2256 PWs) bands (ev): -8.7851 -8.7851 -8.3293 -8.3293 -1.1643 -1.1643 -0.7746 -0.7746 1.9498 1.9498 2.1913 2.1913 2.9975 2.9975 3.2124 3.2124 3.9071 3.9071 4.1666 4.1666 5.0804 5.0804 6.1050 6.1050 6.8622 6.8622 7.0769 7.0769 7.3226 7.3226 7.4938 7.4938 8.1271 8.1271 8.1989 8.1989 8.3837 8.3837 8.4759 8.4759 10.2677 10.2677 10.4825 10.4825 12.3133 12.3133 12.3635 12.3635 k = 0.0000 0.0000 0.1208 ( 2252 PWs) bands (ev): -8.7772 -8.7772 -8.3363 -8.3363 -1.1593 -1.1593 -0.7829 -0.7829 1.9548 1.9548 2.1893 2.1893 2.9897 2.9897 3.1877 3.1877 3.9420 3.9420 4.1842 4.1842 5.0669 5.0669 6.0400 6.0400 6.8712 6.8712 7.0777 7.0777 7.3215 7.3215 7.4838 7.4838 8.1402 8.1402 8.2123 8.2123 8.3885 8.3885 8.4764 8.4764 10.3300 10.3300 10.5198 10.5198 12.2998 12.2998 12.3486 12.3486 k = 0.0000 0.0000 0.1309 ( 2252 PWs) bands (ev): -8.7688 -8.7688 -8.3439 -8.3439 -1.1540 -1.1540 -0.7916 -0.7916 1.9600 1.9600 2.1870 2.1870 2.9816 2.9816 3.1636 3.1636 3.9777 3.9777 4.2030 4.2030 5.0524 5.0524 5.9739 5.9739 6.8797 6.8797 7.0780 7.0780 7.3204 7.3204 7.4738 7.4738 8.1538 8.1538 8.2257 8.2257 8.3933 8.3933 8.4766 8.4766 10.3943 10.3943 10.5593 10.5593 12.2858 12.2858 12.3332 12.3332 k = 0.0000 0.0000 0.1410 ( 2242 PWs) bands (ev): -8.7598 -8.7598 -8.3519 -8.3519 -1.1482 -1.1482 -0.8009 -0.8009 1.9657 1.9657 2.1846 2.1846 2.9733 2.9733 3.1402 3.1402 4.0144 4.0144 4.2230 4.2230 5.0370 5.0370 5.9069 5.9069 6.8878 6.8878 7.0779 7.0779 7.3193 7.3193 7.4641 7.4641 8.1679 8.1679 8.2391 8.2391 8.3980 8.3980 8.4766 8.4766 10.4598 10.4598 10.6008 10.6008 12.2715 12.2715 12.3174 12.3174 k = 0.0000 0.0000 0.1511 ( 2240 PWs) bands (ev): -8.7502 -8.7502 -8.3605 -8.3605 -1.1420 -1.1420 -0.8106 -0.8106 1.9717 1.9717 2.1818 2.1818 2.9649 2.9649 3.1175 3.1175 4.0520 4.0520 4.2442 4.2442 5.0206 5.0206 5.8394 5.8394 6.8956 6.8956 7.0773 7.0773 7.3181 7.3181 7.4544 7.4544 8.1823 8.1823 8.2520 8.2520 8.4025 8.4025 8.4762 8.4762 10.5258 10.5258 10.6440 10.6440 12.2569 12.2569 12.3012 12.3012 k = 0.0000 0.0000 0.1611 ( 2240 PWs) bands (ev): -8.7402 -8.7402 -8.3696 -8.3696 -1.1354 -1.1354 -0.8207 -0.8207 1.9780 1.9780 2.1787 2.1787 2.9564 2.9564 3.0955 3.0955 4.0906 4.0906 4.2662 4.2662 5.0031 5.0031 5.7714 5.7714 6.9031 6.9031 7.0761 7.0761 7.3171 7.3171 7.4452 7.4452 8.1969 8.1969 8.2645 8.2645 8.4068 8.4068 8.4755 8.4755 10.5917 10.5917 10.6886 10.6886 12.2424 12.2424 12.2850 12.2850 k = 0.0000 0.0000 0.1712 ( 2246 PWs) bands (ev): -8.7296 -8.7296 -8.3792 -8.3792 -1.1284 -1.1284 -0.8313 -0.8313 1.9847 1.9847 2.1754 2.1754 2.9481 2.9481 3.0745 3.0745 4.1301 4.1301 4.2891 4.2891 4.9847 4.9847 5.7033 5.7033 6.9104 6.9104 7.0744 7.0744 7.3161 7.3161 7.4363 7.4363 8.2115 8.2115 8.2764 8.2764 8.4110 8.4110 8.4744 8.4744 10.6568 10.6568 10.7340 10.7340 12.2279 12.2279 12.2686 12.2686 k = 0.0000 0.0000 0.1813 ( 2246 PWs) bands (ev): -8.7187 -8.7187 -8.3893 -8.3893 -1.1210 -1.1210 -0.8421 -0.8421 1.9916 1.9916 2.1717 2.1717 2.9400 2.9400 3.0543 3.0543 4.1707 4.1707 4.3130 4.3130 4.9656 4.9656 5.6354 5.6354 6.9177 6.9177 7.0722 7.0722 7.3155 7.3155 7.4276 7.4276 8.2261 8.2261 8.2877 8.2877 8.4150 8.4150 8.4731 8.4731 10.7203 10.7203 10.7800 10.7800 12.2139 12.2139 12.2526 12.2526 k = 0.0000 0.0000 0.1913 ( 2246 PWs) bands (ev): -8.7073 -8.7073 -8.3998 -8.3998 -1.1132 -1.1132 -0.8532 -0.8532 1.9988 1.9988 2.1677 2.1677 2.9322 2.9322 3.0352 3.0352 4.2123 4.2123 4.3377 4.3377 4.9455 4.9455 5.5675 5.5675 6.9248 6.9248 7.0694 7.0694 7.3150 7.3150 7.4193 7.4193 8.2405 8.2405 8.2984 8.2984 8.4189 8.4189 8.4716 8.4716 10.7816 10.7816 10.8262 10.8262 12.2004 12.2004 12.2370 12.2370 k = 0.0000 0.0000 0.2014 ( 2242 PWs) bands (ev): -8.6955 -8.6955 -8.4107 -8.4107 -1.1051 -1.1051 -0.8646 -0.8646 2.0062 2.0062 2.1634 2.1634 2.9249 2.9249 3.0172 3.0172 4.2549 4.2549 4.3631 4.3631 4.9247 4.9247 5.5001 5.5001 6.9318 6.9318 7.0662 7.0662 7.3150 7.3150 7.4114 7.4114 8.2545 8.2545 8.3082 8.3082 8.4225 8.4225 8.4699 8.4699 10.8400 10.8400 10.8721 10.8721 12.1875 12.1875 12.2218 12.2218 k = 0.0000 0.0000 0.2115 ( 2242 PWs) bands (ev): -8.6833 -8.6833 -8.4220 -8.4220 -1.0966 -1.0966 -0.8761 -0.8761 2.0139 2.0139 2.1588 2.1588 2.9180 2.9180 3.0002 3.0002 4.2984 4.2984 4.3892 4.3892 4.9031 4.9031 5.4332 5.4332 6.9388 6.9388 7.0625 7.0625 7.3152 7.3152 7.4038 7.4038 8.2681 8.2681 8.3171 8.3171 8.4260 8.4260 8.4681 8.4681 10.8946 10.8946 10.9175 10.9175 12.1754 12.1754 12.2071 12.2071 k = 0.0000 0.0000 0.2215 ( 2242 PWs) bands (ev): -8.6709 -8.6709 -8.4337 -8.4337 -1.0877 -1.0877 -0.8878 -0.8878 2.0217 2.0217 2.1538 2.1538 2.9119 2.9119 2.9844 2.9844 4.3428 4.3428 4.4161 4.4161 4.8808 4.8808 5.3668 5.3668 6.9457 6.9457 7.0582 7.0582 7.3159 7.3159 7.3964 7.3964 8.2811 8.2811 8.3252 8.3252 8.4292 8.4292 8.4662 8.4662 10.9445 10.9445 10.9621 10.9621 12.1641 12.1641 12.1933 12.1933 k = 0.0000 0.0000 0.2316 ( 2242 PWs) bands (ev): -8.6582 -8.6582 -8.4457 -8.4457 -1.0785 -1.0785 -0.8997 -0.8997 2.0297 2.0297 2.1485 2.1485 2.9064 2.9064 2.9698 2.9698 4.3878 4.3878 4.4441 4.4441 4.8579 4.8579 5.3012 5.3012 6.9525 6.9525 7.0536 7.0536 7.3171 7.3171 7.3893 7.3893 8.2934 8.2934 8.3324 8.3324 8.4322 8.4322 8.4641 8.4641 10.9893 10.9893 11.0053 11.0053 12.1539 12.1539 12.1803 12.1803 k = 0.0000 0.0000 0.2417 ( 2244 PWs) bands (ev): -8.6452 -8.6452 -8.4581 -8.4581 -1.0690 -1.0690 -0.9116 -0.9116 2.0378 2.0378 2.1428 2.1428 2.9017 2.9017 2.9564 2.9564 4.4324 4.4324 4.4740 4.4740 4.8342 4.8342 5.2364 5.2364 6.9593 6.9593 7.0486 7.0486 7.3187 7.3187 7.3825 7.3825 8.3048 8.3048 8.3386 8.3386 8.4350 8.4350 8.4621 8.4621 11.0294 11.0294 11.0457 11.0457 12.1448 12.1448 12.1683 12.1683 k = 0.0000 0.0000 0.2518 ( 2244 PWs) bands (ev): -8.6320 -8.6320 -8.4707 -8.4707 -1.0591 -1.0591 -0.9236 -0.9236 2.0459 2.0459 2.1368 2.1368 2.8980 2.8980 2.9443 2.9443 4.4741 4.4741 4.5082 4.5082 4.8100 4.8100 5.1725 5.1725 6.9661 6.9661 7.0432 7.0432 7.3207 7.3207 7.3760 7.3760 8.3153 8.3153 8.3438 8.3438 8.4375 8.4375 8.4600 8.4600 11.0652 11.0652 11.0820 11.0820 12.1370 12.1370 12.1574 12.1574 k = 0.0000 0.0000 0.2618 ( 2252 PWs) bands (ev): -8.6186 -8.6186 -8.4835 -8.4835 -1.0490 -1.0490 -0.9355 -0.9355 2.0541 2.0541 2.1304 2.1304 2.8952 2.8952 2.9334 2.9334 4.5098 4.5098 4.5497 4.5497 4.7853 4.7853 5.1096 5.1096 6.9729 6.9729 7.0375 7.0375 7.3232 7.3232 7.3696 7.3696 8.3246 8.3246 8.3480 8.3480 8.4397 8.4397 8.4579 8.4579 11.0967 11.0967 11.1131 11.1131 12.1304 12.1304 12.1476 12.1476 k = 0.0000 0.0000 0.2719 ( 2248 PWs) bands (ev): -8.6051 -8.6051 -8.4966 -8.4966 -1.0386 -1.0386 -0.9475 -0.9475 2.0624 2.0624 2.1238 2.1238 2.8936 2.8936 2.9238 2.9238 4.5409 4.5409 4.5972 4.5972 4.7601 4.7601 5.0477 5.0477 6.9796 6.9796 7.0316 7.0316 7.3262 7.3262 7.3636 7.3636 8.3329 8.3329 8.3513 8.3513 8.4417 8.4417 8.4559 8.4559 11.1236 11.1236 11.1385 11.1385 12.1255 12.1255 12.1393 12.1393 k = 0.0000 0.0000 0.2820 ( 2244 PWs) bands (ev): -8.5915 -8.5915 -8.5099 -8.5099 -1.0279 -1.0279 -0.9594 -0.9594 2.0706 2.0706 2.1168 2.1168 2.8930 2.8930 2.9156 2.9156 4.5700 4.5700 4.6476 4.6476 4.7347 4.7347 4.9869 4.9869 6.9864 6.9864 7.0255 7.0255 7.3296 7.3296 7.3578 7.3578 8.3398 8.3398 8.3534 8.3534 8.4436 8.4436 8.4540 8.4540 11.1457 11.1457 11.1580 11.1580 12.1220 12.1220 12.1325 12.1325 k = 0.0000 0.0000 0.2920 ( 2244 PWs) bands (ev): -8.5779 -8.5779 -8.5233 -8.5233 -1.0169 -1.0169 -0.9712 -0.9712 2.0787 2.0787 2.1096 2.1096 2.8936 2.8936 2.9086 2.9086 4.5983 4.5983 4.6950 4.6950 4.7138 4.7138 4.9274 4.9274 6.9931 6.9931 7.0192 7.0192 7.3334 7.3334 7.3523 7.3523 8.3454 8.3454 8.3544 8.3544 8.4454 8.4454 8.4522 8.4522 11.1625 11.1625 11.1712 11.1712 12.1200 12.1200 12.1270 12.1270 k = 0.0000 0.0000 0.3021 ( 2240 PWs) bands (ev): -8.5642 -8.5642 -8.5369 -8.5369 -1.0058 -1.0058 -0.9829 -0.9829 2.0867 2.0867 2.1022 2.1022 2.8955 2.8955 2.9029 2.9029 4.6261 4.6261 4.6798 4.6798 4.7568 4.7568 4.8692 4.8692 6.9998 6.9998 7.0129 7.0129 7.3377 7.3377 7.3472 7.3472 8.3496 8.3496 8.3541 8.3541 8.4470 8.4470 8.4504 8.4504 11.1737 11.1737 11.1782 11.1782 12.1194 12.1194 12.1230 12.1230 k = 0.0000 0.0000 0.3122 ( 2240 PWs) bands (ev): -8.5506 -8.5506 -8.5504 -8.5504 -0.9945 -0.9945 -0.9943 -0.9943 2.0944 2.0944 2.0947 2.0947 2.8985 2.8985 2.8986 2.8986 4.6532 4.6532 4.6534 4.6534 4.8121 4.8121 4.8121 4.8121 7.0062 7.0062 7.0065 7.0065 7.3422 7.3422 7.3423 7.3423 8.3525 8.3525 8.3525 8.3525 8.4486 8.4486 8.4488 8.4488 11.1789 11.1789 11.1791 11.1791 12.1203 12.1203 12.1205 12.1205 k = 0.0000 0.0000 0.3122 ( 2240 PWs) bands (ev): -8.5506 -8.5506 -8.5504 -8.5504 -0.9945 -0.9945 -0.9943 -0.9943 2.0944 2.0944 2.0947 2.0947 2.8985 2.8985 2.8986 2.8986 4.6532 4.6532 4.6534 4.6534 4.8121 4.8121 4.8121 4.8121 7.0062 7.0062 7.0065 7.0065 7.3422 7.3422 7.3423 7.3423 8.3525 8.3525 8.3525 8.3525 8.4486 8.4486 8.4488 8.4488 11.1789 11.1789 11.1791 11.1791 12.1203 12.1203 12.1205 12.1205 k = 0.0100-0.0000 0.3122 ( 2240 PWs) bands (ev): -8.5500 -8.5500 -8.5498 -8.5498 -0.9971 -0.9971 -0.9952 -0.9952 2.0934 2.0934 2.0945 2.0945 2.8980 2.8980 2.9020 2.9020 4.6467 4.6467 4.6525 4.6525 4.8143 4.8143 4.8191 4.8191 7.0052 7.0052 7.0061 7.0061 7.3375 7.3375 7.3451 7.3451 8.2998 8.2998 8.3256 8.3256 8.4798 8.4798 8.5012 8.5012 11.1742 11.1742 11.1823 11.1823 12.1156 12.1156 12.1267 12.1267 k = 0.0200-0.0000 0.3122 ( 2236 PWs) bands (ev): -8.5481 -8.5481 -8.5479 -8.5479 -1.0032 -1.0032 -0.9995 -0.9995 2.0912 2.0912 2.0934 2.0934 2.9005 2.9005 2.9084 2.9084 4.6344 4.6344 4.6447 4.6447 4.8252 4.8252 4.8336 4.8336 7.0028 7.0028 7.0044 7.0044 7.3308 7.3308 7.3459 7.3459 8.2309 8.2309 8.2626 8.2626 8.5511 8.5511 8.5739 8.5739 11.1681 11.1681 11.1840 11.1840 12.1123 12.1123 12.1345 12.1345 k = 0.0300-0.0000 0.3122 ( 2244 PWs) bands (ev): -8.5450 -8.5450 -8.5448 -8.5448 -1.0128 -1.0128 -1.0072 -1.0072 2.0877 2.0877 2.0910 2.0910 2.9058 2.9058 2.9177 2.9177 4.6186 4.6186 4.6319 4.6319 4.8427 4.8427 4.8531 4.8531 6.9989 6.9989 7.0011 7.0011 7.3220 7.3220 7.3448 7.3448 8.1613 8.1613 8.1973 8.1973 8.6287 8.6287 8.6511 8.6511 11.1605 11.1605 11.1841 11.1841 12.1105 12.1105 12.1435 12.1435 k = 0.0400-0.0000 0.3122 ( 2244 PWs) bands (ev): -8.5407 -8.5407 -8.5404 -8.5404 -1.0257 -1.0257 -1.0183 -1.0183 2.0832 2.0832 2.0876 2.0876 2.9141 2.9141 2.9299 2.9299 4.6012 4.6012 4.6165 4.6165 4.8647 4.8647 4.8761 4.8761 6.9940 6.9940 6.9964 6.9964 7.3115 7.3115 7.3417 7.3417 8.0934 8.0934 8.1339 8.1339 8.7085 8.7085 8.7304 8.7304 11.1517 11.1517 11.1826 11.1826 12.1105 12.1105 12.1539 12.1539 k = 0.0500-0.0000 0.3122 ( 2240 PWs) bands (ev): -8.5351 -8.5351 -8.5348 -8.5348 -1.0420 -1.0420 -1.0328 -1.0328 2.0774 2.0774 2.0829 2.0829 2.9252 2.9252 2.9450 2.9450 4.5832 4.5832 4.5998 4.5998 4.8897 4.8897 4.9015 4.9015 6.9879 6.9879 6.9900 6.9900 7.2991 7.2991 7.3368 7.3368 8.0279 8.0279 8.0734 8.0734 8.7891 8.7891 8.8108 8.8108 11.1419 11.1419 11.1796 11.1796 12.1122 12.1122 12.1656 12.1656 k = 0.0600-0.0000 0.3122 ( 2246 PWs) bands (ev): -8.5283 -8.5283 -8.5280 -8.5280 -1.0614 -1.0614 -1.0505 -1.0505 2.0704 2.0704 2.0770 2.0770 2.9392 2.9392 2.9627 2.9627 4.5651 4.5651 4.5828 4.5828 4.9167 4.9167 4.9285 4.9285 6.9806 6.9806 6.9820 6.9820 7.2850 7.2850 7.3298 7.3298 7.9652 7.9652 8.0162 8.0162 8.8700 8.8700 8.8917 8.8917 11.1309 11.1309 11.1749 11.1749 12.1157 12.1157 12.1785 12.1785 k = 0.0700-0.0000 0.3122 ( 2250 PWs) bands (ev): -8.5203 -8.5203 -8.5200 -8.5200 -1.0840 -1.0840 -1.0714 -1.0714 2.0622 2.0622 2.0699 2.0699 2.9559 2.9559 2.9832 2.9832 4.5474 4.5474 4.5659 4.5659 4.9453 4.9453 4.9570 4.9570 6.9721 6.9721 6.9724 6.9724 7.2695 7.2695 7.3209 7.3209 7.9056 7.9056 7.9626 7.9626 8.9507 8.9507 8.9726 8.9726 11.1191 11.1191 11.1687 11.1687 12.1210 12.1210 12.1926 12.1926 k = 0.0800-0.0000 0.3122 ( 2242 PWs) bands (ev): -8.5111 -8.5111 -8.5108 -8.5108 -1.1095 -1.1095 -1.0954 -1.0954 2.0528 2.0528 2.0615 2.0615 2.9755 2.9755 3.0064 3.0064 4.5305 4.5305 4.5496 4.5496 4.9753 4.9753 4.9865 4.9865 6.9606 6.9606 6.9632 6.9632 7.2527 7.2527 7.3101 7.3101 7.8494 7.8494 7.9128 7.9128 9.0308 9.0308 9.0532 9.0532 11.1065 11.1065 11.1611 11.1611 12.1283 12.1283 12.2080 12.2080 k = 0.0900-0.0000 0.3122 ( 2238 PWs) bands (ev): -8.5008 -8.5008 -8.5005 -8.5005 -1.1380 -1.1380 -1.1224 -1.1224 2.0421 2.0421 2.0519 2.0519 2.9977 2.9977 3.0322 3.0322 4.5143 4.5143 4.5340 4.5340 5.0062 5.0062 5.0169 5.0169 6.9471 6.9471 6.9532 6.9532 7.2349 7.2349 7.2974 7.2974 7.7968 7.7968 7.8667 7.8667 9.1097 9.1097 9.1328 9.1328 11.0934 11.0934 11.1522 11.1522 12.1376 12.1376 12.2245 12.2245 k = 0.1000-0.0000 0.3122 ( 2226 PWs) bands (ev): -8.4893 -8.4893 -8.4889 -8.4889 -1.1691 -1.1691 -1.1522 -1.1522 2.0302 2.0302 2.0411 2.0411 3.0225 3.0225 3.0604 3.0604 4.4991 4.4991 4.5194 4.5194 5.0379 5.0379 5.0481 5.0481 6.9317 6.9317 6.9423 6.9423 7.2165 7.2165 7.2829 7.2829 7.7478 7.7478 7.8244 7.8244 9.1871 9.1871 9.2111 9.2111 11.0799 11.0799 11.1421 11.1421 12.1488 12.1488 12.2423 12.2423 k = 0.1100-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.4767 -8.4767 -8.4763 -8.4763 -1.2029 -1.2029 -1.1846 -1.1846 2.0171 2.0171 2.0289 2.0289 3.0496 3.0496 3.0909 3.0909 4.4849 4.4849 4.5057 4.5057 5.0701 5.0701 5.0798 5.0798 6.9141 6.9141 6.9305 6.9305 7.1978 7.1978 7.2664 7.2664 7.7024 7.7024 7.7854 7.7854 9.2624 9.2624 9.2874 9.2874 11.0661 11.0661 11.1310 11.1310 12.1621 12.1621 12.2613 12.2613 k = 0.1200-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.4630 -8.4630 -8.4626 -8.4626 -1.2392 -1.2392 -1.2197 -1.2197 2.0027 2.0027 2.0156 2.0156 3.0791 3.0791 3.1237 3.1237 4.4718 4.4718 4.4930 4.4930 5.1030 5.1030 5.1121 5.1121 6.8945 6.8945 6.9180 6.9180 7.1793 7.1793 7.2483 7.2483 7.6607 7.6607 7.7496 7.7496 9.3352 9.3352 9.3615 9.3615 11.0524 11.0524 11.1189 11.1189 12.1773 12.1773 12.2815 12.2815 k = 0.1300-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.4483 -8.4483 -8.4479 -8.4479 -1.2777 -1.2777 -1.2570 -1.2570 1.9872 1.9872 2.0010 2.0010 3.1109 3.1109 3.1586 3.1586 4.4598 4.4598 4.4816 4.4816 5.1364 5.1364 5.1448 5.1448 6.8729 6.8729 6.9046 6.9046 7.1613 7.1613 7.2287 7.2287 7.6227 7.6227 7.7169 7.7169 9.4053 9.4053 9.4330 9.4330 11.0388 11.0388 11.1063 11.1063 12.1946 12.1946 12.3029 12.3029 k = 0.1400-0.0000 0.3122 ( 2228 PWs) bands (ev): -8.4325 -8.4325 -8.4321 -8.4321 -1.3183 -1.3183 -1.2967 -1.2967 1.9705 1.9705 1.9853 1.9853 3.1448 3.1448 3.1955 3.1955 4.4490 4.4490 4.4712 4.4712 5.1702 5.1702 5.1780 5.1780 6.8493 6.8493 6.8905 6.8905 7.1442 7.1442 7.2082 7.2082 7.5882 7.5882 7.6870 7.6870 9.4721 9.4721 9.5014 9.5014 11.0256 11.0256 11.0932 11.0932 12.2139 12.2139 12.3255 12.3255 k = 0.1500-0.0000 0.3122 ( 2230 PWs) bands (ev): -8.4157 -8.4157 -8.4154 -8.4154 -1.3610 -1.3610 -1.3383 -1.3383 1.9528 1.9528 1.9684 1.9684 3.1808 3.1808 3.2343 3.2343 4.4394 4.4394 4.4621 4.4621 5.2043 5.2043 5.2115 5.2115 6.8239 6.8239 6.8754 6.8754 7.1280 7.1280 7.1869 7.1869 7.5569 7.5569 7.6595 7.6595 9.5351 9.5351 9.5663 9.5663 11.0130 11.0130 11.0798 11.0798 12.2352 12.2352 12.3493 12.3493 k = 0.1600-0.0000 0.3122 ( 2230 PWs) bands (ev): -8.3981 -8.3981 -8.3977 -8.3977 -1.4054 -1.4054 -1.3819 -1.3819 1.9341 1.9341 1.9505 1.9505 3.2186 3.2186 3.2749 3.2749 4.4309 4.4309 4.4541 4.4541 5.2386 5.2386 5.2452 5.2452 6.7967 6.7967 6.8593 6.8593 7.1131 7.1131 7.1653 7.1653 7.5287 7.5287 7.6344 7.6344 9.5940 9.5940 9.6272 9.6272 11.0013 11.0013 11.0666 11.0666 12.2584 12.2584 12.3743 12.3743 k = 0.1700-0.0000 0.3122 ( 2230 PWs) bands (ev): -8.3795 -8.3795 -8.3791 -8.3791 -1.4515 -1.4515 -1.4272 -1.4272 1.9144 1.9144 1.9316 1.9316 3.2582 3.2582 3.3171 3.3171 4.4236 4.4236 4.4474 4.4474 5.2731 5.2731 5.2791 5.2791 6.7681 6.7681 6.8418 6.8418 7.0995 7.0995 7.1441 7.1441 7.5033 7.5033 7.6114 7.6114 9.6484 9.6484 9.6839 9.6839 10.9907 10.9907 11.0536 11.0536 12.2834 12.2834 12.4003 12.4003 k = 0.1800-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.3601 -8.3601 -8.3597 -8.3597 -1.4990 -1.4990 -1.4740 -1.4740 1.8938 1.8938 1.9118 1.9118 3.2995 3.2995 3.3608 3.3608 4.4174 4.4174 4.4417 4.4417 5.3076 5.3076 5.3132 5.3132 6.7381 6.7381 6.8228 6.8228 7.0872 7.0872 7.1236 7.1236 7.4805 7.4805 7.5903 7.5903 9.6981 9.6981 9.7360 9.7360 10.9814 10.9814 11.0412 11.0412 12.3101 12.3101 12.4275 12.4275 k = 0.1900-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.3399 -8.3399 -8.3394 -8.3394 -1.5479 -1.5479 -1.5222 -1.5222 1.8726 1.8726 1.8912 1.8912 3.3422 3.3422 3.4059 3.4059 4.4124 4.4124 4.4373 4.4373 5.3420 5.3420 5.3473 5.3473 6.7071 6.7071 6.8021 6.8021 7.0762 7.0762 7.1043 7.1043 7.4601 7.4601 7.5709 7.5709 9.7430 9.7430 9.7835 9.7835 10.9737 10.9737 11.0296 11.0296 12.3384 12.3384 12.4556 12.4556 k = 0.2000-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.3189 -8.3189 -8.3185 -8.3185 -1.5978 -1.5978 -1.5715 -1.5715 1.8506 1.8506 1.8699 1.8699 3.3864 3.3864 3.4523 3.4523 4.4084 4.4084 4.4339 4.4339 5.3764 5.3764 5.3815 5.3815 6.6750 6.6750 6.7796 6.7796 7.0665 7.0665 7.0866 7.0866 7.4419 7.4419 7.5533 7.5533 9.7828 9.7828 9.8261 9.8261 10.9676 10.9676 11.0191 11.0191 12.3683 12.3683 12.4847 12.4847 k = 0.2100-0.0000 0.3122 ( 2238 PWs) bands (ev): -8.2973 -8.2973 -8.2969 -8.2969 -1.6487 -1.6487 -1.6219 -1.6219 1.8281 1.8281 1.8481 1.8481 3.4319 3.4319 3.4999 3.4999 4.4054 4.4054 4.4315 4.4315 5.4105 5.4105 5.4156 5.4156 6.6422 6.6422 6.7551 6.7551 7.0579 7.0579 7.0707 7.0707 7.4257 7.4257 7.5372 7.5372 9.8176 9.8176 9.8636 9.8636 10.9631 10.9631 11.0097 11.0097 12.3995 12.3995 12.5146 12.5146 k = 0.2200-0.0000 0.3122 ( 2240 PWs) bands (ev): -8.2750 -8.2750 -8.2746 -8.2746 -1.7004 -1.7004 -1.6731 -1.6731 1.8051 1.8051 1.8256 1.8256 3.4785 3.4785 3.5485 3.5485 4.4035 4.4035 4.4302 4.4302 5.4445 5.4445 5.4496 5.4496 6.6087 6.6087 6.7286 6.7286 7.0504 7.0504 7.0565 7.0565 7.4115 7.4115 7.5227 7.5227 9.8472 9.8472 9.8962 9.8962 10.9605 10.9605 11.0018 11.0018 12.4318 12.4318 12.5451 12.5451 k = 0.2300-0.0000 0.3122 ( 2240 PWs) bands (ev): -8.2523 -8.2523 -8.2519 -8.2519 -1.7526 -1.7526 -1.7249 -1.7249 1.7818 1.7818 1.8029 1.8029 3.5262 3.5262 3.5980 3.5980 4.4024 4.4024 4.4297 4.4297 5.4780 5.4780 5.4835 5.4835 6.5747 6.5747 6.7002 6.7002 7.0439 7.0439 7.0440 7.0440 7.3994 7.3994 7.5097 7.5097 9.8722 9.8722 9.9240 9.9240 10.9597 10.9597 10.9953 10.9953 12.4652 12.4652 12.5764 12.5764 k = 0.2400-0.0000 0.3122 ( 2240 PWs) bands (ev): -8.2290 -8.2290 -8.2286 -8.2286 -1.8053 -1.8053 -1.7772 -1.7772 1.7583 1.7583 1.7799 1.7799 3.5748 3.5748 3.6483 3.6483 4.4021 4.4021 4.4301 4.4301 5.5110 5.5110 5.5171 5.5171 6.5402 6.5402 6.6699 6.6699 7.0331 7.0331 7.0381 7.0381 7.3891 7.3891 7.4982 7.4982 9.8926 9.8926 9.9471 9.9471 10.9605 10.9605 10.9903 10.9903 12.4995 12.4995 12.6082 12.6082 k = 0.2500-0.0000 0.3122 ( 2240 PWs) bands (ev): -8.2054 -8.2054 -8.2050 -8.2050 -1.8581 -1.8581 -1.8297 -1.8297 1.7347 1.7347 1.7567 1.7567 3.6243 3.6243 3.6993 3.6993 4.4027 4.4027 4.4313 4.4313 5.5434 5.5434 5.5506 5.5506 6.5054 6.5054 6.6381 6.6381 7.0233 7.0233 7.0330 7.0330 7.3809 7.3809 7.4883 7.4883 9.9089 9.9089 9.9660 9.9660 10.9629 10.9629 10.9868 10.9868 12.5345 12.5345 12.6404 12.6404 k = 0.2600-0.0000 0.3122 ( 2242 PWs) bands (ev): -8.1814 -8.1814 -8.1811 -8.1811 -1.9111 -1.9111 -1.8823 -1.8823 1.7110 1.7110 1.7335 1.7335 3.6744 3.6744 3.7508 3.7508 4.4039 4.4039 4.4331 4.4331 5.5752 5.5752 5.5837 5.5837 6.4704 6.4704 6.6048 6.6048 7.0144 7.0144 7.0282 7.0282 7.3745 7.3745 7.4797 7.4797 9.9215 9.9215 9.9808 9.9808 10.9666 10.9666 10.9848 10.9848 12.5701 12.5701 12.6729 12.6729 k = 0.2700-0.0000 0.3122 ( 2236 PWs) bands (ev): -8.1573 -8.1573 -8.1569 -8.1569 -1.9638 -1.9638 -1.9348 -1.9348 1.6876 1.6876 1.7105 1.7105 3.7253 3.7253 3.8029 3.8029 4.4057 4.4057 4.4356 4.4356 5.6061 5.6061 5.6165 5.6165 6.4354 6.4354 6.5705 6.5705 7.0061 7.0061 7.0239 7.0239 7.3700 7.3700 7.4727 7.4727 9.9309 9.9309 9.9923 9.9923 10.9715 10.9715 10.9841 10.9841 12.6062 12.6062 12.7057 12.7057 k = 0.2800-0.0000 0.3122 ( 2224 PWs) bands (ev): -8.1329 -8.1329 -8.1326 -8.1326 -2.0162 -2.0162 -1.9870 -1.9870 1.6644 1.6644 1.6877 1.6877 3.7766 3.7766 3.8553 3.8553 4.4082 4.4082 4.4386 4.4386 5.6360 5.6360 5.6489 5.6489 6.4005 6.4005 6.5351 6.5351 6.9982 6.9982 7.0197 7.0197 7.3675 7.3675 7.4672 7.4672 9.9378 9.9378 10.0007 10.0007 10.9774 10.9774 10.9846 10.9846 12.6426 12.6426 12.7387 12.7387 k = 0.2900-0.0000 0.3122 ( 2224 PWs) bands (ev): -8.1086 -8.1086 -8.1082 -8.1082 -2.0681 -2.0681 -2.0387 -2.0387 1.6414 1.6414 1.6650 1.6650 3.8283 3.8283 3.9079 3.9079 4.4111 4.4111 4.4420 4.4420 5.6646 5.6646 5.6808 5.6808 6.3660 6.3660 6.4990 6.4990 6.9902 6.9902 7.0153 7.0153 7.3665 7.3665 7.4628 7.4628 9.9424 9.9424 10.0066 10.0066 10.9839 10.9839 10.9861 10.9861 12.6793 12.6793 12.7719 12.7719 k = 0.3000-0.0000 0.3122 ( 2228 PWs) bands (ev): -8.0843 -8.0843 -8.0840 -8.0840 -2.1193 -2.1193 -2.0897 -2.0897 1.6189 1.6189 1.6428 1.6428 3.8803 3.8803 3.9606 3.9606 4.4144 4.4144 4.4458 4.4458 5.6916 5.6916 5.7120 5.7120 6.3322 6.3322 6.4623 6.4623 6.9821 6.9821 7.0108 7.0108 7.3670 7.3670 7.4597 7.4597 9.9454 9.9454 10.0103 10.0103 10.9883 10.9883 10.9908 10.9908 12.7161 12.7161 12.8050 12.8050 k = 0.3100-0.0000 0.3122 ( 2232 PWs) bands (ev): -8.0602 -8.0602 -8.0599 -8.0599 -2.1696 -2.1696 -2.1399 -2.1399 1.5969 1.5969 1.6211 1.6211 3.9324 3.9324 4.0131 4.0131 4.4181 4.4181 4.4499 4.4499 5.7167 5.7167 5.7424 5.7424 6.2995 6.2995 6.4255 6.4255 6.9737 6.9737 7.0060 7.0060 7.3688 7.3688 7.4576 7.4576 9.9472 9.9472 10.0126 10.0126 10.9911 10.9911 10.9978 10.9978 12.7530 12.7530 12.8382 12.8382 k = 0.3200-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.0364 -8.0364 -8.0361 -8.0361 -2.2188 -2.2188 -2.1889 -2.1889 1.5755 1.5755 1.5999 1.5999 3.9846 3.9846 4.0655 4.0655 4.4222 4.4222 4.4542 4.4542 5.7392 5.7392 5.7719 5.7719 6.2685 6.2685 6.3886 6.3886 6.9651 6.9651 7.0009 7.0009 7.3717 7.3717 7.4565 7.4565 9.9484 9.9484 10.0139 10.0139 10.9945 10.9945 11.0051 11.0051 12.7901 12.7901 12.8715 12.8715 k = 0.3300-0.0000 0.3122 ( 2234 PWs) bands (ev): -8.0129 -8.0129 -8.0126 -8.0126 -2.2667 -2.2667 -2.2367 -2.2367 1.5547 1.5547 1.5794 1.5794 4.0367 4.0367 4.1174 4.1174 4.4267 4.4267 4.4586 4.4586 5.7584 5.7584 5.8002 5.8002 6.2399 6.2399 6.3523 6.3523 6.9561 6.9561 6.9954 6.9954 7.3754 7.3754 7.4561 7.4561 9.9493 9.9493 10.0146 10.0146 10.9982 10.9982 11.0124 11.0124 12.8273 12.8273 12.9049 12.9049 k = 0.3400-0.0000 0.3122 ( 2234 PWs) bands (ev): -7.9899 -7.9899 -7.9896 -7.9896 -2.3132 -2.3132 -2.2831 -2.2831 1.5348 1.5348 1.5597 1.5597 4.0886 4.0886 4.1687 4.1687 4.4315 4.4315 4.4632 4.4632 5.7734 5.7734 5.8268 5.8268 6.2148 6.2148 6.3169 6.3169 6.9468 6.9468 6.9895 6.9895 7.3796 7.3796 7.4562 7.4562 9.9502 9.9502 10.0151 10.0151 11.0021 11.0021 11.0194 11.0194 12.8646 12.8646 12.9384 12.9384 k = 0.3500-0.0000 0.3122 ( 2234 PWs) bands (ev): -7.9675 -7.9675 -7.9673 -7.9673 -2.3580 -2.3580 -2.3278 -2.3278 1.5158 1.5158 1.5408 1.5408 4.1402 4.1402 4.2189 4.2189 4.4369 4.4369 4.4677 4.4677 5.7833 5.7833 5.8511 5.8511 6.1943 6.1943 6.2832 6.2832 6.9372 6.9372 6.9831 6.9831 7.3841 7.3841 7.4567 7.4567 9.9514 9.9514 10.0155 10.0155 11.0060 11.0060 11.0262 11.0262 12.9021 12.9021 12.9719 12.9719 k = 0.3600-0.0000 0.3122 ( 2230 PWs) bands (ev): -7.9459 -7.9459 -7.9456 -7.9456 -2.4009 -2.4009 -2.3707 -2.3707 1.4977 1.4977 1.5230 1.5230 4.1912 4.1912 4.2677 4.2677 4.4432 4.4432 4.4723 4.4723 5.7868 5.7868 5.8723 5.8723 6.1793 6.1793 6.2520 6.2520 6.9273 6.9273 6.9764 6.9764 7.3886 7.3886 7.4574 7.4574 9.9532 9.9532 10.0164 10.0164 11.0099 11.0099 11.0327 11.0327 12.9397 12.9397 13.0056 13.0056 k = 0.3700-0.0000 0.3122 ( 2222 PWs) bands (ev): -7.9251 -7.9251 -7.9248 -7.9248 -2.4419 -2.4419 -2.4116 -2.4116 1.4807 1.4807 1.5061 1.5061 4.2416 4.2416 4.3139 4.3139 4.4510 4.4510 4.4768 4.4768 5.7836 5.7836 5.8893 5.8893 6.1707 6.1707 6.2247 6.2247 6.9174 6.9174 6.9693 6.9693 7.3929 7.3929 7.4582 7.4582 9.9555 9.9555 10.0176 10.0176 11.0139 11.0139 11.0389 11.0389 12.9776 12.9776 13.0395 13.0395 k = 0.3800-0.0000 0.3122 ( 2226 PWs) bands (ev): -7.9052 -7.9052 -7.9050 -7.9050 -2.4806 -2.4806 -2.4503 -2.4503 1.4646 1.4646 1.4901 1.4901 4.2908 4.2908 4.3557 4.3557 4.4620 4.4620 4.4813 4.4813 5.7733 5.7733 5.9003 5.9003 6.1682 6.1682 6.2029 6.2029 6.9072 6.9072 6.9619 6.9619 7.3968 7.3968 7.4588 7.4588 9.9583 9.9583 10.0193 10.0193 11.0176 11.0176 11.0446 11.0446 13.0156 13.0156 13.0735 13.0735 k = 0.3900-0.0000 0.3122 ( 2238 PWs) bands (ev): -7.8864 -7.8864 -7.8862 -7.8862 -2.5170 -2.5170 -2.4866 -2.4866 1.4495 1.4495 1.4752 1.4752 4.3388 4.3388 4.3895 4.3895 4.4793 4.4793 4.4857 4.4857 5.7569 5.7569 5.9040 5.9040 6.1714 6.1714 6.1880 6.1880 6.8969 6.8969 6.9543 6.9543 7.4002 7.4002 7.4591 7.4591 9.9617 9.9617 10.0215 10.0215 11.0210 11.0210 11.0498 11.0498 13.0537 13.0537 13.1075 13.1075 k = 0.4000-0.0000 0.3122 ( 2238 PWs) bands (ev): -7.8688 -7.8688 -7.8686 -7.8686 -2.5509 -2.5509 -2.5204 -2.5204 1.4357 1.4357 1.4615 1.4615 4.3849 4.3849 4.4125 4.4125 4.4905 4.4905 4.5060 4.5060 5.7358 5.7358 5.8996 5.8996 6.1789 6.1789 6.1810 6.1810 6.8869 6.8869 6.9466 6.9466 7.4030 7.4030 7.4591 7.4591 9.9658 9.9658 10.0243 10.0243 11.0243 11.0243 11.0547 11.0547 13.0921 13.0921 13.1417 13.1417 k = 0.4100-0.0000 0.3122 ( 2242 PWs) bands (ev): -7.8525 -7.8525 -7.8523 -7.8523 -2.5820 -2.5820 -2.5515 -2.5515 1.4231 1.4231 1.4490 1.4490 4.4260 4.4260 4.4280 4.4280 4.4963 4.4963 4.5398 4.5398 5.7112 5.7112 5.8877 5.8877 6.1814 6.1814 6.1895 6.1895 6.8770 6.8770 6.9390 6.9390 7.4053 7.4053 7.4589 7.4589 9.9703 9.9703 10.0276 10.0276 11.0273 11.0273 11.0590 11.0590 13.1306 13.1306 13.1757 13.1757 k = 0.4200-0.0000 0.3122 ( 2246 PWs) bands (ev): -7.8376 -7.8376 -7.8374 -7.8374 -2.6103 -2.6103 -2.5798 -2.5798 1.4116 1.4116 1.4376 1.4376 4.4343 4.4343 4.4643 4.4643 4.5065 4.5065 4.5763 4.5763 5.6847 5.6847 5.8702 5.8702 6.1875 6.1875 6.2020 6.2020 6.8674 6.8674 6.9315 6.9315 7.4070 7.4070 7.4585 7.4585 9.9750 9.9750 10.0312 10.0312 11.0300 11.0300 11.0629 11.0629 13.1688 13.1688 13.2095 13.2095 k = 0.4300-0.0000 0.3122 ( 2242 PWs) bands (ev): -7.8242 -7.8242 -7.8240 -7.8240 -2.6357 -2.6357 -2.6051 -2.6051 1.4015 1.4015 1.4276 1.4276 4.4400 4.4400 4.4846 4.4846 4.5299 4.5299 4.6124 4.6124 5.6576 5.6576 5.8495 5.8495 6.1973 6.1973 6.2152 6.2152 6.8583 6.8583 6.9243 6.9243 7.4082 7.4082 7.4578 7.4578 9.9799 9.9799 10.0350 10.0350 11.0325 11.0325 11.0663 11.0663 13.2067 13.2067 13.2427 13.2427 k = 0.4400-0.0000 0.3122 ( 2242 PWs) bands (ev): -7.8124 -7.8124 -7.8121 -7.8121 -2.6579 -2.6579 -2.6273 -2.6273 1.3927 1.3927 1.4188 1.4188 4.4441 4.4441 4.4924 4.4924 4.5623 4.5623 4.6464 4.6464 5.6309 5.6309 5.8274 5.8274 6.2087 6.2087 6.2284 6.2284 6.8498 6.8498 6.9175 6.9175 7.4090 7.4090 7.4570 7.4570 9.9847 9.9847 10.0388 10.0388 11.0346 11.0346 11.0693 11.0693 13.2436 13.2436 13.2747 13.2747 k = 0.4500-0.0000 0.3122 ( 2246 PWs) bands (ev): -7.8022 -7.8022 -7.8020 -7.8020 -2.6769 -2.6769 -2.6463 -2.6463 1.3851 1.3851 1.4113 1.4113 4.4472 4.4472 4.4964 4.4964 4.5943 4.5943 4.6773 4.6773 5.6057 5.6057 5.8059 5.8059 6.2203 6.2203 6.2407 6.2407 6.8421 6.8421 6.9113 6.9113 7.4094 7.4094 7.4560 7.4560 9.9892 9.9892 10.0424 10.0424 11.0364 11.0364 11.0718 11.0718 13.2788 13.2788 13.3049 13.3049 k = 0.4600-0.0000 0.3122 ( 2244 PWs) bands (ev): -7.7938 -7.7938 -7.7935 -7.7935 -2.6926 -2.6926 -2.6620 -2.6620 1.3789 1.3789 1.4051 1.4051 4.4497 4.4497 4.4990 4.4990 4.6228 4.6228 4.7040 4.7040 5.5832 5.5832 5.7863 5.7863 6.2311 6.2311 6.2516 6.2516 6.8355 6.8355 6.9059 6.9059 7.4095 7.4095 7.4551 7.4551 9.9932 9.9932 10.0457 10.0457 11.0379 11.0379 11.0738 11.0738 13.3113 13.3113 13.3324 13.3324 k = 0.4700-0.0000 0.3122 ( 2240 PWs) bands (ev): -7.7872 -7.7872 -7.7869 -7.7869 -2.7049 -2.7049 -2.6742 -2.6742 1.3741 1.3741 1.4004 1.4004 4.4515 4.4515 4.5009 4.5009 4.6464 4.6464 4.7257 4.7257 5.5643 5.5643 5.7698 5.7698 6.2403 6.2403 6.2605 6.2605 6.8301 6.8301 6.9016 6.9016 7.4096 7.4096 7.4544 7.4544 9.9966 9.9966 10.0484 10.0484 11.0391 11.0391 11.0755 11.0755 13.3396 13.3396 13.3560 13.3560 k = 0.4800-0.0000 0.3122 ( 2240 PWs) bands (ev): -7.7825 -7.7825 -7.7822 -7.7822 -2.7137 -2.7137 -2.6830 -2.6830 1.3707 1.3707 1.3969 1.3969 4.4527 4.4527 4.5022 4.5022 4.6641 4.6641 4.7419 4.7419 5.5500 5.5500 5.7572 5.7572 6.2473 6.2473 6.2673 6.2673 6.8260 6.8260 6.8983 6.8983 7.4095 7.4095 7.4537 7.4537 9.9991 9.9991 10.0505 10.0505 11.0400 11.0400 11.0766 11.0766 13.3620 13.3620 13.3743 13.3743 k = 0.4900-0.0000 0.3122 ( 2236 PWs) bands (ev): -7.7796 -7.7796 -7.7793 -7.7793 -2.7190 -2.7190 -2.6884 -2.6884 1.3686 1.3686 1.3948 1.3948 4.4534 4.4534 4.5029 4.5029 4.6750 4.6750 4.7518 4.7518 5.5410 5.5410 5.7494 5.7494 6.2517 6.2517 6.2714 6.2714 6.8236 6.8236 6.8963 6.8963 7.4095 7.4095 7.4534 7.4534 10.0006 10.0006 10.0518 10.0518 11.0406 11.0406 11.0774 11.0774 13.3765 13.3765 13.3860 13.3860 k = 0.5000-0.0000 0.3122 ( 2236 PWs) bands (ev): -7.7787 -7.7787 -7.7783 -7.7783 -2.7208 -2.7208 -2.6901 -2.6901 1.3679 1.3679 1.3942 1.3942 4.4537 4.4537 4.5031 4.5031 4.6787 4.6787 4.7552 4.7552 5.5380 5.5380 5.7467 5.7467 6.2531 6.2531 6.2728 6.2728 6.8227 6.8227 6.8956 6.8956 7.4095 7.4095 7.4532 7.4532 10.0011 10.0011 10.0522 10.0522 11.0407 11.0407 11.0776 11.0776 13.3816 13.3816 13.3901 13.3901 k = 0.5000-0.0000 0.3122 ( 2236 PWs) bands (ev): -7.7787 -7.7787 -7.7783 -7.7783 -2.7208 -2.7208 -2.6901 -2.6901 1.3679 1.3679 1.3942 1.3942 4.4537 4.4537 4.5031 4.5031 4.6787 4.6787 4.7552 4.7552 5.5380 5.5380 5.7467 5.7467 6.2531 6.2531 6.2728 6.2728 6.8227 6.8227 6.8956 6.8956 7.4095 7.4095 7.4532 7.4532 10.0011 10.0011 10.0522 10.0522 11.0407 11.0407 11.0776 11.0776 13.3816 13.3816 13.3901 13.3901 k = 0.5000 0.0100 0.3122 ( 2236 PWs) bands (ev): -7.7773 -7.7773 -7.7769 -7.7769 -2.7237 -2.7237 -2.6931 -2.6931 1.3705 1.3705 1.3968 1.3968 4.4518 4.4518 4.5012 4.5012 4.6649 4.6649 4.7371 4.7371 5.5480 5.5480 5.7493 5.7493 6.2625 6.2625 6.2861 6.2861 6.8254 6.8254 6.8993 6.8993 7.4099 7.4099 7.4532 7.4532 9.9989 9.9989 10.0500 10.0500 11.0350 11.0350 11.0722 11.0722 13.3887 13.3887 13.3972 13.3972 k = 0.5000 0.0201 0.3122 ( 2236 PWs) bands (ev): -7.7731 -7.7731 -7.7728 -7.7728 -2.7324 -2.7324 -2.7019 -2.7019 1.3783 1.3783 1.4047 1.4047 4.4460 4.4460 4.4951 4.4951 4.6255 4.6255 4.6868 4.6868 5.5742 5.5742 5.7561 5.7561 6.2905 6.2905 6.3249 6.3249 6.8333 6.8333 6.9105 6.9105 7.4111 7.4111 7.4532 7.4532 9.9920 9.9920 10.0435 10.0435 11.0184 11.0184 11.0562 11.0562 13.4099 13.4099 13.4184 13.4184 k = 0.5000 0.0301 0.3122 ( 2236 PWs) bands (ev): -7.7662 -7.7662 -7.7659 -7.7659 -2.7468 -2.7468 -2.7165 -2.7165 1.3912 1.3912 1.4178 1.4178 4.4358 4.4358 4.4844 4.4844 4.5655 4.5655 4.6134 4.6134 5.6089 5.6089 5.7657 5.7657 6.3363 6.3363 6.3863 6.3863 6.8465 6.8465 6.9291 6.9291 7.4133 7.4133 7.4533 7.4533 9.9802 9.9802 10.0324 10.0324 10.9918 10.9918 11.0307 11.0307 13.4442 13.4442 13.4528 13.4528 k = 0.5000 0.0401 0.3122 ( 2244 PWs) bands (ev): -7.7565 -7.7565 -7.7562 -7.7562 -2.7668 -2.7668 -2.7368 -2.7368 1.4090 1.4090 1.4359 1.4359 4.4173 4.4173 4.4637 4.4637 4.4942 4.4942 4.5305 4.5305 5.6451 5.6451 5.7765 5.7765 6.3984 6.3984 6.4658 6.4658 6.8648 6.8648 6.9550 6.9550 7.4166 7.4166 7.4535 7.4535 9.9633 9.9633 10.0164 10.0164 10.9568 10.9568 10.9973 10.9973 13.4903 13.4903 13.4990 13.4990 k = 0.5000 0.0501 0.3122 ( 2236 PWs) bands (ev): -7.7440 -7.7440 -7.7438 -7.7438 -2.7922 -2.7922 -2.7625 -2.7625 1.4314 1.4314 1.4587 1.4587 4.3694 4.3694 4.4007 4.4007 4.4384 4.4384 4.4773 4.4773 5.6788 5.6788 5.7878 5.7878 6.4738 6.4738 6.5586 6.5586 6.8886 6.8886 6.9884 6.9884 7.4215 7.4215 7.4543 7.4543 9.9409 9.9409 9.9949 9.9949 10.9157 10.9157 10.9583 10.9583 13.5470 13.5470 13.5558 13.5558 k = 0.5000 0.0602 0.3122 ( 2232 PWs) bands (ev): -7.7289 -7.7289 -7.7286 -7.7286 -2.8228 -2.8228 -2.7935 -2.7935 1.4580 1.4580 1.4857 1.4857 4.2824 4.2824 4.2999 4.2999 4.4119 4.4119 4.4537 4.4537 5.7088 5.7088 5.7994 5.7994 6.5586 6.5586 6.6586 6.6586 6.9188 6.9188 7.0292 7.0292 7.4284 7.4284 7.4560 7.4560 9.9124 9.9124 9.9676 9.9676 10.8707 10.8707 10.9155 10.9155 13.6124 13.6124 13.6211 13.6211 k = 0.5000 0.0702 0.3122 ( 2232 PWs) bands (ev): -7.7111 -7.7111 -7.7108 -7.7108 -2.8584 -2.8584 -2.8295 -2.8295 1.4881 1.4881 1.5164 1.5164 4.1829 4.1829 4.1913 4.1913 4.3916 4.3916 4.4332 4.4332 5.7349 5.7349 5.8111 5.8111 6.6482 6.6482 6.7580 6.7580 6.9591 6.9591 7.0778 7.0778 7.4379 7.4379 7.4590 7.4590 9.8774 9.8774 9.9338 9.9338 10.8240 10.8240 10.8713 10.8713 13.6845 13.6845 13.6926 13.6926 k = 0.5000 0.0802 0.3122 ( 2228 PWs) bands (ev): -7.6906 -7.6906 -7.6903 -7.6903 -2.8986 -2.8986 -2.8703 -2.8703 1.5214 1.5214 1.5505 1.5505 4.0796 4.0796 4.0809 4.0809 4.3718 4.3718 4.4124 4.4124 5.7582 5.7582 5.8231 5.8231 6.7380 6.7380 6.8440 6.8440 7.0180 7.0180 7.1343 7.1343 7.4508 7.4508 7.4644 7.4644 9.8356 9.8356 9.8931 9.8931 10.7779 10.7779 10.8278 10.8278 13.7599 13.7599 13.7635 13.7635 k = 0.5000 0.0902 0.3122 ( 2228 PWs) bands (ev): -7.6675 -7.6675 -7.6672 -7.6672 -2.9433 -2.9433 -2.9155 -2.9155 1.5572 1.5572 1.5873 1.5873 3.9710 3.9710 3.9757 3.9757 4.3519 4.3519 4.3910 4.3910 5.7793 5.7793 5.8357 5.8357 6.8237 6.8237 6.9055 6.9055 7.1031 7.1031 7.1986 7.1986 7.4681 7.4681 7.4733 7.4733 9.7869 9.7869 9.8454 9.8454 10.7340 10.7340 10.7866 10.7866 13.7993 13.7993 13.8273 13.8273 k = 0.5000 0.1003 0.3122 ( 2224 PWs) bands (ev): -7.6418 -7.6418 -7.6416 -7.6416 -2.9921 -2.9921 -2.9649 -2.9649 1.5949 1.5949 1.6260 1.6260 3.8631 3.8631 3.8729 3.8729 4.3320 4.3320 4.3696 4.3696 5.7991 5.7991 5.8487 5.8487 6.9014 6.9014 6.9465 6.9465 7.2065 7.2065 7.2697 7.2697 7.4880 7.4880 7.4910 7.4910 9.7317 9.7317 9.7910 9.7910 10.6940 10.6940 10.7491 10.7491 13.7811 13.7811 13.8471 13.8471 k = 0.5000 0.1103 0.3122 ( 2224 PWs) bands (ev): -7.6137 -7.6137 -7.6134 -7.6134 -3.0447 -3.0447 -3.0182 -3.0182 1.6334 1.6334 1.6658 1.6658 3.7584 3.7584 3.7727 3.7727 4.3125 4.3125 4.3483 4.3483 5.8179 5.8179 5.8623 5.8623 6.9684 6.9684 6.9758 6.9758 7.3151 7.3151 7.3437 7.3437 7.5125 7.5125 7.5218 7.5218 9.6708 9.6708 9.7307 9.7307 10.6586 10.6586 10.7162 10.7162 13.7479 13.7479 13.8236 13.8236 k = 0.5000 0.1203 0.3122 ( 2224 PWs) bands (ev): -7.5831 -7.5831 -7.5827 -7.5827 -3.1009 -3.1009 -3.0750 -3.0750 1.6721 1.6721 1.7059 1.7059 3.6580 3.6580 3.6764 3.6764 4.2940 4.2940 4.3279 4.3279 5.8363 5.8363 5.8765 5.8765 6.9976 6.9976 7.0233 7.0233 7.4134 7.4134 7.4185 7.4185 7.5525 7.5525 7.5640 7.5640 9.6055 9.6055 9.6661 9.6661 10.6284 10.6284 10.6884 10.6884 13.7088 13.7088 13.7876 13.7876 k = 0.5000 0.1303 0.3122 ( 2220 PWs) bands (ev): -7.5501 -7.5501 -7.5496 -7.5496 -3.1602 -3.1602 -3.1350 -3.1350 1.7099 1.7099 1.7453 1.7453 3.5629 3.5629 3.5851 3.5851 4.2769 4.2769 4.3088 4.3088 5.8544 5.8544 5.8913 5.8913 7.0135 7.0135 7.0660 7.0660 7.4730 7.4730 7.5059 7.5059 7.6117 7.6117 7.6244 7.6244 9.5377 9.5377 9.5991 9.5991 10.6036 10.6036 10.6659 10.6659 13.6657 13.6657 13.7458 13.7458 k = 0.5000 0.1404 0.3122 ( 2228 PWs) bands (ev): -7.5148 -7.5148 -7.5142 -7.5142 -3.2224 -3.2224 -3.1980 -3.1980 1.7455 1.7455 1.7826 1.7826 3.4741 3.4741 3.4997 3.4997 4.2618 4.2618 4.2915 4.2915 5.8726 5.8726 5.9067 5.9067 7.0242 7.0242 7.0966 7.0966 7.5253 7.5253 7.5731 7.5731 7.6836 7.6836 7.7034 7.7034 9.4698 9.4698 9.5323 9.5323 10.5838 10.5838 10.6487 10.6487 13.6189 13.6189 13.6997 13.6997 k = 0.5000 0.1504 0.3122 ( 2228 PWs) bands (ev): -7.4773 -7.4773 -7.4766 -7.4766 -3.2873 -3.2873 -3.2635 -3.2635 1.7779 1.7779 1.8167 1.8167 3.3926 3.3926 3.4213 3.4213 4.2492 4.2492 4.2767 4.2767 5.8911 5.8911 5.9227 5.9227 7.0302 7.0302 7.1167 7.1167 7.5774 7.5774 7.6300 7.6300 7.7569 7.7569 7.7874 7.7874 9.4049 9.4049 9.4690 9.4690 10.5690 10.5690 10.6366 10.6366 13.5688 13.5688 13.6501 13.6501 k = 0.5000 0.1604 0.3122 ( 2228 PWs) bands (ev): -7.4377 -7.4377 -7.4369 -7.4369 -3.3544 -3.3544 -3.3314 -3.3314 1.8059 1.8059 1.8465 1.8465 3.3194 3.3194 3.3508 3.3508 4.2399 4.2399 4.2649 4.2649 5.9098 5.9098 5.9391 5.9391 7.0322 7.0322 7.1279 7.1279 7.6319 7.6319 7.6842 7.6842 7.8233 7.8233 7.8642 7.8642 9.3465 9.3465 9.4132 9.4132 10.5591 10.5591 10.6295 10.6295 13.5154 13.5154 13.5970 13.5970 k = 0.5000 0.1704 0.3122 ( 2228 PWs) bands (ev): -7.3960 -7.3960 -7.3951 -7.3951 -3.4235 -3.4235 -3.4013 -3.4013 1.8284 1.8284 1.8704 1.8704 3.2553 3.2553 3.2890 3.2890 4.2343 4.2343 4.2568 4.2568 5.9287 5.9287 5.9560 5.9560 7.0308 7.0308 7.1322 7.1322 7.6890 7.6890 7.7379 7.7379 7.8766 7.8766 7.9266 7.9266 9.2985 9.2985 9.3689 9.3689 10.5540 10.5540 10.6272 10.6272 13.4590 13.4590 13.5407 13.5407 k = 0.5000 0.1805 0.3122 ( 2228 PWs) bands (ev): -7.3525 -7.3525 -7.3515 -7.3515 -3.4943 -3.4943 -3.4729 -3.4729 1.8444 1.8444 1.8874 1.8874 3.2011 3.2011 3.2365 3.2365 4.2331 4.2331 4.2530 4.2530 5.9480 5.9480 5.9732 5.9732 7.0264 7.0264 7.1311 7.1311 7.7473 7.7473 7.7904 7.7904 7.9125 7.9125 7.9705 7.9705 9.2649 9.2649 9.3401 9.3401 10.5536 10.5536 10.6298 10.6298 13.3996 13.3996 13.4814 13.4814 k = 0.5000 0.1905 0.3122 ( 2228 PWs) bands (ev): -7.3072 -7.3072 -7.3061 -7.3061 -3.5665 -3.5665 -3.5459 -3.5459 1.8530 1.8530 1.8965 1.8965 3.1573 3.1573 3.1934 3.1934 4.2370 4.2370 4.2540 4.2540 5.9676 5.9676 5.9908 5.9908 7.0194 7.0194 7.1258 7.1258 7.8031 7.8031 7.8381 7.8381 7.9302 7.9302 7.9963 7.9963 9.2485 9.2485 9.3295 9.3295 10.5581 10.5581 10.6372 10.6372 13.3374 13.3374 13.4190 13.4190 k = 0.5000 0.2005 0.3122 ( 2224 PWs) bands (ev): -7.2604 -7.2604 -7.2591 -7.2591 -3.6397 -3.6397 -3.6199 -3.6199 1.8540 1.8540 1.8974 1.8974 3.1236 3.1236 3.1595 3.1595 4.2465 4.2465 4.2606 4.2606 5.9874 5.9874 6.0085 6.0085 7.0103 7.0103 7.1173 7.1173 7.8439 7.8439 7.8709 7.8709 7.9403 7.9403 8.0124 8.0124 9.2503 9.2503 9.3376 9.3376 10.5679 10.5679 10.6495 10.6495 13.2725 13.2725 13.3539 13.3539 k = 0.5000 0.2106 0.3122 ( 2220 PWs) bands (ev): -7.2121 -7.2121 -7.2107 -7.2107 -3.7137 -3.7137 -3.6947 -3.6947 1.8477 1.8477 1.8901 1.8901 3.0994 3.0994 3.1343 3.1343 4.2622 4.2622 4.2732 4.2732 6.0075 6.0075 6.0264 6.0264 6.9993 6.9993 7.1061 7.1061 7.8396 7.8396 7.8708 7.8708 7.9730 7.9730 8.0382 8.0382 9.2687 9.2687 9.3624 9.3624 10.5831 10.5831 10.6670 10.6670 13.2051 13.2051 13.2861 13.2861 k = 0.5000 0.2206 0.3122 ( 2228 PWs) bands (ev): -7.1626 -7.1626 -7.1611 -7.1611 -3.7881 -3.7881 -3.7699 -3.7699 1.8346 1.8346 1.8753 1.8753 3.0835 3.0835 3.1165 3.1165 4.2845 4.2845 4.2923 4.2923 6.0278 6.0278 6.0441 6.0441 6.9866 6.9866 7.0928 7.0928 7.7945 7.7945 7.8340 7.8340 8.0265 8.0265 8.0804 8.0804 9.3005 9.3005 9.3999 9.3999 10.6044 10.6044 10.6896 10.6896 13.1351 13.1351 13.2155 13.2155 k = 0.5000 0.2306 0.3122 ( 2224 PWs) bands (ev): -7.1122 -7.1122 -7.1105 -7.1105 -3.8625 -3.8625 -3.8452 -3.8452 1.8157 1.8157 1.8543 1.8543 3.0743 3.0743 3.1049 3.1049 4.3137 4.3137 4.3184 4.3184 6.0481 6.0481 6.0616 6.0616 6.9726 6.9726 7.0777 7.0777 7.7277 7.7277 7.7727 7.7727 8.0852 8.0852 8.1309 8.1309 9.3418 9.3418 9.4455 9.4455 10.6324 10.6324 10.7178 10.7178 13.0630 13.0630 13.1426 13.1426 k = 0.5000 0.2406 0.3122 ( 2228 PWs) bands (ev): -7.0611 -7.0611 -7.0593 -7.0593 -3.9365 -3.9365 -3.9201 -3.9201 1.7923 1.7923 1.8283 1.8283 3.0703 3.0703 3.0978 3.0978 4.3498 4.3498 4.3513 4.3513 6.0683 6.0683 6.0786 6.0786 6.9574 6.9574 7.0610 7.0610 7.6473 7.6473 7.6962 7.6962 8.1444 8.1444 8.1839 8.1839 9.3885 9.3885 9.4949 9.4949 10.6673 10.6673 10.7517 10.7517 12.9887 12.9887 13.0673 13.0673 k = 0.5000 0.2507 0.3122 ( 2232 PWs) bands (ev): -7.0096 -7.0096 -7.0077 -7.0077 -4.0098 -4.0098 -3.9943 -3.9943 1.7657 1.7657 1.7989 1.7989 3.0697 3.0697 3.0941 3.0941 4.3913 4.3913 4.3929 4.3929 6.0882 6.0882 6.0949 6.0949 6.9410 6.9410 7.0429 7.0429 7.5580 7.5580 7.6103 7.6103 8.2025 8.2025 8.2369 8.2369 9.4375 9.4375 9.5445 9.5445 10.7096 10.7096 10.7912 10.7912 12.9126 12.9126 12.9899 12.9899 k = 0.5000 0.2607 0.3122 ( 2228 PWs) bands (ev): -6.9581 -6.9581 -6.9561 -6.9561 -4.0818 -4.0818 -4.0672 -4.0672 1.7372 1.7372 1.7675 1.7675 3.0713 3.0713 3.0926 3.0926 4.4380 4.4380 4.4426 4.4426 6.1077 6.1077 6.1101 6.1101 6.9237 6.9237 7.0233 7.0233 7.4636 7.4636 7.5190 7.5190 8.2586 8.2586 8.2887 8.2887 9.4863 9.4863 9.5918 9.5918 10.7594 10.7594 10.8368 10.8368 12.8347 12.8347 12.9106 12.9106 k = 0.5000 0.2707 0.3122 ( 2224 PWs) bands (ev): -6.9069 -6.9069 -6.9048 -6.9048 -4.1521 -4.1521 -4.1385 -4.1385 1.7079 1.7079 1.7353 1.7353 3.0739 3.0739 3.0923 3.0923 4.4909 4.4909 4.4983 4.4983 6.1238 6.1238 6.1263 6.1263 6.9054 6.9054 7.0020 7.0020 7.3668 7.3668 7.4253 7.4253 8.3120 8.3120 8.3383 8.3383 9.5330 9.5330 9.6349 9.6349 10.8166 10.8166 10.8879 10.8879 12.7554 12.7554 12.8294 12.8294 k = 0.5000 0.2807 0.3122 ( 2224 PWs) bands (ev): -6.8566 -6.8566 -6.8545 -6.8545 -4.2201 -4.2201 -4.2075 -4.2075 1.6788 1.6788 1.7032 1.7032 3.0769 3.0769 3.0925 3.0925 4.5494 4.5494 4.5594 4.5594 6.1356 6.1356 6.1437 6.1437 6.8859 6.8859 6.9782 6.9782 7.2709 7.2709 7.3318 7.3318 8.3623 8.3623 8.3852 8.3852 9.5765 9.5765 9.6730 9.6730 10.8804 10.8804 10.9443 10.9443 12.6748 12.6748 12.7467 12.7467 k = 0.5000 0.2908 0.3122 ( 2228 PWs) bands (ev): -6.8077 -6.8077 -6.8055 -6.8055 -4.2852 -4.2852 -4.2736 -4.2736 1.6505 1.6505 1.6721 1.6721 3.0798 3.0798 3.0928 3.0928 4.6124 4.6124 4.6247 4.6247 6.1449 6.1449 6.1594 6.1594 6.8651 6.8651 6.9504 6.9504 7.1796 7.1796 7.2412 7.2412 8.4092 8.4092 8.4290 8.4290 9.6163 9.6163 9.7057 9.7057 10.9503 10.9503 11.0056 11.0056 12.5932 12.5932 12.6626 12.6626 k = 0.5000 0.3008 0.3122 ( 2232 PWs) bands (ev): -6.7607 -6.7607 -6.7586 -6.7586 -4.3467 -4.3467 -4.3362 -4.3362 1.6239 1.6239 1.6428 1.6428 3.0822 3.0822 3.0930 3.0930 4.6789 4.6789 4.6932 4.6932 6.1510 6.1510 6.1726 6.1726 6.8422 6.8422 6.9153 6.9153 7.0986 7.0986 7.1564 7.1564 8.4521 8.4521 8.4691 8.4691 9.6519 9.6519 9.7330 9.7330 11.0250 11.0250 11.0710 11.0710 12.5111 12.5111 12.5775 12.5775 k = 0.5000 0.3108 0.3122 ( 2228 PWs) bands (ev): -6.7164 -6.7164 -6.7144 -6.7144 -4.4039 -4.4039 -4.3945 -4.3945 1.5996 1.5996 1.6159 1.6159 3.0843 3.0843 3.0931 3.0931 4.7475 4.7475 4.7634 4.7634 6.1534 6.1534 6.1823 6.1823 6.8164 6.8164 6.8688 6.8688 7.0347 7.0347 7.0808 7.0808 8.4909 8.4909 8.5052 8.5052 9.6833 9.6833 9.7552 9.7552 11.1036 11.1036 11.1398 11.1398 12.4289 12.4289 12.4919 12.4919 k = 0.5000 0.3208 0.3122 ( 2224 PWs) bands (ev): -6.6756 -6.6756 -6.6737 -6.6737 -4.4559 -4.4559 -4.4476 -4.4476 1.5779 1.5779 1.5917 1.5917 3.0858 3.0858 3.0929 3.0929 4.8166 4.8166 4.8334 4.8334 6.1515 6.1515 6.1873 6.1873 6.7867 6.7867 6.8117 6.8117 6.9900 6.9900 7.0176 7.0176 8.5252 8.5252 8.5371 8.5371 9.7106 9.7106 9.7728 9.7728 11.1846 11.1846 11.2112 11.2112 12.3472 12.3472 12.4061 12.4061 k = 0.5000 0.3309 0.3122 ( 2224 PWs) bands (ev): -6.6390 -6.6390 -6.6372 -6.6372 -4.5019 -4.5019 -4.4949 -4.4949 1.5592 1.5592 1.5706 1.5706 3.0870 3.0870 3.0925 3.0925 4.8840 4.8840 4.9011 4.9011 6.1452 6.1452 6.1863 6.1863 6.7525 6.7525 6.7532 6.7532 6.9592 6.9592 6.9691 6.9691 8.5547 8.5547 8.5644 8.5644 9.7341 9.7341 9.7861 9.7861 11.2664 11.2664 11.2837 11.2837 12.2669 12.2669 12.3210 12.3210 k = 0.5000 0.3409 0.3122 ( 2224 PWs) bands (ev): -6.6074 -6.6074 -6.6059 -6.6059 -4.5409 -4.5409 -4.5352 -4.5352 1.5438 1.5438 1.5528 1.5528 3.0878 3.0878 3.0920 3.0920 4.9472 4.9472 4.9636 4.9636 6.1354 6.1354 6.1782 6.1782 6.7006 6.7006 6.7180 6.7180 6.9349 6.9349 6.9367 6.9367 8.5793 8.5793 8.5869 8.5869 9.7538 9.7538 9.7954 9.7954 11.3469 11.3469 11.3559 11.3559 12.1896 12.1896 12.2378 12.2378 k = 0.5000 0.3509 0.3122 ( 2232 PWs) bands (ev): -6.5818 -6.5818 -6.5806 -6.5806 -4.5723 -4.5723 -4.5679 -4.5679 1.5318 1.5318 1.5385 1.5385 3.0884 3.0884 3.0914 3.0914 5.0031 5.0031 5.0175 5.0175 6.1240 6.1240 6.1635 6.1635 6.6611 6.6611 6.6850 6.6850 6.9127 6.9127 6.9194 6.9194 8.5987 8.5987 8.6044 8.6044 9.7698 9.7698 9.8011 9.8011 11.4231 11.4231 11.4250 11.4250 12.1178 12.1178 12.1587 12.1587 k = 0.5000 0.3610 0.3122 ( 2232 PWs) bands (ev): -6.5627 -6.5627 -6.5619 -6.5619 -4.5951 -4.5951 -4.5922 -4.5922 1.5233 1.5233 1.5278 1.5278 3.0889 3.0889 3.0908 3.0908 5.0483 5.0483 5.0592 5.0592 6.1144 6.1144 6.1448 6.1448 6.6363 6.6363 6.6575 6.6575 6.8996 6.8996 6.9065 6.9065 8.6130 8.6130 8.6167 8.6167 9.7828 9.7828 9.8036 9.8036 11.4870 11.4870 11.4896 11.4896 12.0568 12.0568 12.0880 12.0880 k = 0.5000 0.3710 0.3122 ( 2232 PWs) bands (ev): -6.5510 -6.5510 -6.5505 -6.5505 -4.6087 -4.6087 -4.6072 -4.6072 1.5187 1.5187 1.5210 1.5210 3.0894 3.0894 3.0904 3.0904 5.0789 5.0789 5.0848 5.0848 6.1103 6.1103 6.1268 6.1268 6.6253 6.6253 6.6374 6.6374 6.8935 6.8935 6.8977 6.8977 8.6221 8.6221 8.6239 8.6239 9.7924 9.7924 9.8028 9.8028 11.5338 11.5338 11.5371 11.5371 12.0155 12.0155 12.0332 12.0332 k = 0.5000 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.5469 -6.5469 -6.5467 -6.5467 -4.6129 -4.6129 -4.6127 -4.6127 1.5178 1.5178 1.5181 1.5181 3.0898 3.0898 3.0899 3.0899 5.0915 5.0915 5.0916 5.0916 6.1143 6.1143 6.1145 6.1145 6.6261 6.6261 6.6264 6.6264 6.8931 6.8931 6.8933 6.8933 8.6256 8.6256 8.6257 8.6257 9.7990 9.7990 9.7992 9.7992 11.5534 11.5534 11.5534 11.5534 12.0060 12.0060 12.0062 12.0062 k = 0.5000 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.5469 -6.5469 -6.5467 -6.5467 -4.6129 -4.6129 -4.6127 -4.6127 1.5178 1.5178 1.5181 1.5181 3.0898 3.0898 3.0899 3.0899 5.0915 5.0915 5.0916 5.0916 6.1143 6.1143 6.1145 6.1145 6.6261 6.6261 6.6264 6.6264 6.8931 6.8931 6.8933 6.8933 8.6256 8.6256 8.6257 8.6257 9.7990 9.7990 9.7992 9.7992 11.5534 11.5534 11.5534 11.5534 12.0060 12.0060 12.0062 12.0062 k = 0.4900 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.5485 -6.5485 -6.5481 -6.5481 -4.6118 -4.6118 -4.6115 -4.6115 1.5192 1.5192 1.5195 1.5195 3.0889 3.0889 3.0898 3.0898 5.0893 5.0893 5.0935 5.0935 6.1079 6.1079 6.1219 6.1219 6.6234 6.6234 6.6302 6.6302 6.8850 6.8850 6.9031 6.9031 8.6237 8.6237 8.6252 8.6252 9.7982 9.7982 9.7996 9.7996 11.5481 11.5481 11.5500 11.5500 12.0072 12.0072 12.0076 12.0076 k = 0.4800 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.5529 -6.5529 -6.5523 -6.5523 -4.6082 -4.6082 -4.6079 -4.6079 1.5234 1.5234 1.5239 1.5239 3.0871 3.0871 3.0887 3.0887 5.0867 5.0867 5.0951 5.0951 6.1025 6.1025 6.1305 6.1305 6.6218 6.6218 6.6354 6.6354 6.8788 6.8788 6.9147 6.9147 8.6194 8.6194 8.6222 8.6222 9.7969 9.7969 9.7998 9.7998 11.5345 11.5345 11.5381 11.5381 12.0108 12.0108 12.0114 12.0114 k = 0.4700 0.3810 0.3122 ( 2224 PWs) bands (ev): -6.5602 -6.5602 -6.5593 -6.5593 -4.6024 -4.6024 -4.6019 -4.6019 1.5304 1.5304 1.5311 1.5311 3.0842 3.0842 3.0867 3.0867 5.0838 5.0838 5.0963 5.0963 6.0983 6.0983 6.1400 6.1400 6.6213 6.6213 6.6416 6.6416 6.8744 6.8744 6.9279 6.9279 8.6127 8.6127 8.6170 8.6170 9.7954 9.7954 9.7997 9.7997 11.5133 11.5133 11.5186 11.5186 12.0158 12.0158 12.0168 12.0168 k = 0.4600 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.5702 -6.5702 -6.5690 -6.5690 -4.5943 -4.5943 -4.5938 -4.5938 1.5403 1.5403 1.5412 1.5412 3.0803 3.0803 3.0836 3.0836 5.0805 5.0805 5.0970 5.0970 6.0953 6.0953 6.1502 6.1502 6.6220 6.6220 6.6488 6.6488 6.8718 6.8718 6.9426 6.9426 8.6036 8.6036 8.6093 8.6093 9.7934 9.7934 9.7991 9.7991 11.4857 11.4857 11.4925 11.4925 12.0210 12.0210 12.0225 12.0225 k = 0.4500 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.5829 -6.5829 -6.5813 -6.5813 -4.5842 -4.5842 -4.5835 -4.5835 1.5530 1.5530 1.5541 1.5541 3.0755 3.0755 3.0796 3.0796 5.0771 5.0771 5.0973 5.0973 6.0935 6.0935 6.1613 6.1613 6.6238 6.6238 6.6569 6.6569 6.8713 6.8713 6.9588 6.9588 8.5922 8.5922 8.5993 8.5993 9.7910 9.7910 9.7980 9.7980 11.4527 11.4527 11.4609 11.4609 12.0254 12.0254 12.0276 12.0276 k = 0.4400 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.5979 -6.5979 -6.5961 -6.5961 -4.5720 -4.5720 -4.5713 -4.5713 1.5687 1.5687 1.5700 1.5700 3.0698 3.0698 3.0747 3.0747 5.0736 5.0736 5.0974 5.0974 6.0930 6.0930 6.1730 6.1730 6.6268 6.6268 6.6660 6.6660 6.8728 6.8728 6.9763 6.9763 8.5786 8.5786 8.5872 8.5872 9.7881 9.7881 9.7965 9.7965 11.4154 11.4154 11.4249 11.4249 12.0278 12.0278 12.0308 12.0308 k = 0.4300 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.6153 -6.6153 -6.6132 -6.6132 -4.5582 -4.5582 -4.5574 -4.5574 1.5873 1.5873 1.5887 1.5887 3.0631 3.0631 3.0688 3.0688 5.0699 5.0699 5.0970 5.0970 6.0938 6.0938 6.1852 6.1852 6.6309 6.6309 6.6758 6.6758 6.8763 6.8763 6.9951 6.9951 8.5627 8.5627 8.5729 8.5729 9.7849 9.7849 9.7945 9.7945 11.3747 11.3747 11.3855 11.3855 12.0275 12.0275 12.0313 12.0313 k = 0.4200 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.6347 -6.6347 -6.6324 -6.6324 -4.5427 -4.5427 -4.5418 -4.5418 1.6087 1.6087 1.6103 1.6103 3.0556 3.0556 3.0619 3.0619 5.0660 5.0660 5.0963 5.0963 6.0957 6.0957 6.1980 6.1980 6.6361 6.6361 6.6864 6.6864 6.8817 6.8817 7.0150 7.0150 8.5449 8.5449 8.5565 8.5565 9.7812 9.7812 9.7920 9.7920 11.3311 11.3311 11.3432 11.3432 12.0235 12.0235 12.0283 12.0283 k = 0.4100 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.6561 -6.6561 -6.6536 -6.6536 -4.5259 -4.5259 -4.5250 -4.5250 1.6331 1.6331 1.6348 1.6348 3.0472 3.0472 3.0542 3.0542 5.0622 5.0622 5.0953 5.0953 6.0989 6.0989 6.2113 6.2113 6.6424 6.6424 6.6976 6.6976 6.8892 6.8892 7.0360 7.0360 8.5250 8.5250 8.5383 8.5383 9.7770 9.7770 9.7889 9.7889 11.2854 11.2854 11.2985 11.2985 12.0155 12.0155 12.0213 12.0213 k = 0.4000 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.6791 -6.6791 -6.6764 -6.6764 -4.5079 -4.5079 -4.5069 -4.5069 1.6604 1.6604 1.6622 1.6622 3.0380 3.0380 3.0457 3.0457 5.0583 5.0583 5.0940 5.0940 6.1034 6.1034 6.2251 6.2251 6.6498 6.6498 6.7095 6.7095 6.8986 6.8986 7.0580 7.0580 8.5034 8.5034 8.5182 8.5182 9.7723 9.7723 9.7853 9.7853 11.2377 11.2377 11.2521 11.2521 12.0030 12.0030 12.0098 12.0098 k = 0.3900 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.7037 -6.7037 -6.7007 -6.7007 -4.4889 -4.4889 -4.4879 -4.4879 1.6907 1.6907 1.6926 1.6926 3.0281 3.0281 3.0363 3.0363 5.0545 5.0545 5.0924 5.0924 6.1089 6.1089 6.2392 6.2392 6.6584 6.6584 6.7219 6.7219 6.9098 6.9098 7.0808 7.0808 8.4800 8.4800 8.4965 8.4965 9.7671 9.7671 9.7811 9.7811 11.1886 11.1886 11.2040 11.2040 11.9858 11.9858 11.9936 11.9936 k = 0.3800 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.7295 -6.7295 -6.7264 -6.7264 -4.4692 -4.4692 -4.4682 -4.4682 1.7240 1.7240 1.7260 1.7260 3.0173 3.0173 3.0261 3.0261 5.0506 5.0506 5.0906 5.0906 6.1157 6.1157 6.2537 6.2537 6.6679 6.6679 6.7350 6.7350 6.9227 6.9227 7.1042 7.1042 8.4550 8.4550 8.4732 8.4732 9.7613 9.7613 9.7762 9.7762 11.1380 11.1380 11.1545 11.1545 11.9637 11.9637 11.9726 11.9726 k = 0.3700 0.3810 0.3122 ( 2220 PWs) bands (ev): -6.7565 -6.7565 -6.7532 -6.7532 -4.4488 -4.4488 -4.4479 -4.4479 1.7604 1.7604 1.7624 1.7624 3.0059 3.0059 3.0152 3.0152 5.0468 5.0468 5.0886 5.0886 6.1234 6.1234 6.2686 6.2686 6.6785 6.6785 6.7486 6.7486 6.9370 6.9370 7.1283 7.1283 8.4287 8.4287 8.4486 8.4486 9.7549 9.7549 9.7706 9.7706 11.0863 11.0863 11.1039 11.1039 11.9369 11.9369 11.9468 11.9468 k = 0.3600 0.3810 0.3122 ( 2220 PWs) bands (ev): -6.7844 -6.7844 -6.7809 -6.7809 -4.4281 -4.4281 -4.4272 -4.4272 1.7997 1.7997 1.8017 1.8017 2.9939 2.9939 3.0037 3.0037 5.0430 5.0430 5.0863 5.0863 6.1321 6.1321 6.2837 6.2837 6.6900 6.6900 6.7628 6.7628 6.9526 6.9526 7.1528 7.1528 8.4010 8.4010 8.4228 8.4228 9.7479 9.7479 9.7642 9.7642 11.0334 11.0334 11.0520 11.0520 11.9053 11.9053 11.9162 11.9162 k = 0.3500 0.3810 0.3122 ( 2220 PWs) bands (ev): -6.8130 -6.8130 -6.8094 -6.8094 -4.4072 -4.4072 -4.4064 -4.4064 1.8419 1.8419 1.8439 1.8439 2.9813 2.9813 2.9915 2.9915 5.0391 5.0391 5.0838 5.0838 6.1417 6.1417 6.2991 6.2991 6.7025 6.7025 6.7776 6.7776 6.9692 6.9692 7.1776 7.1776 8.3722 8.3722 8.3958 8.3958 9.7402 9.7402 9.7571 9.7571 10.9791 10.9791 10.9988 10.9988 11.8692 11.8692 11.8812 11.8812 k = 0.3400 0.3810 0.3122 ( 2216 PWs) bands (ev): -6.8422 -6.8422 -6.8384 -6.8384 -4.3863 -4.3863 -4.3854 -4.3854 1.8872 1.8872 1.8891 1.8891 2.9683 2.9683 2.9788 2.9788 5.0352 5.0352 5.0810 5.0810 6.1522 6.1522 6.3149 6.3149 6.7160 6.7160 6.7931 6.7931 6.9867 6.9867 7.2026 7.2026 8.3425 8.3425 8.3680 8.3680 9.7318 9.7318 9.7492 9.7492 10.9236 10.9236 10.9442 10.9442 11.8292 11.8292 11.8423 11.8423 k = 0.3300 0.3810 0.3122 ( 2212 PWs) bands (ev): -6.8718 -6.8718 -6.8679 -6.8679 -4.3654 -4.3654 -4.3646 -4.3646 1.9354 1.9354 1.9372 1.9372 2.9548 2.9548 2.9656 2.9656 5.0312 5.0312 5.0780 5.0780 6.1635 6.1635 6.3311 6.3311 6.7304 6.7304 6.8092 6.8092 7.0048 7.0048 7.2277 7.2277 8.3119 8.3119 8.3395 8.3395 9.7227 9.7227 9.7404 9.7404 10.8666 10.8666 10.8881 10.8881 11.7857 11.7857 11.7998 11.7998 k = 0.3200 0.3810 0.3122 ( 2216 PWs) bands (ev): -6.9017 -6.9017 -6.8977 -6.8977 -4.3448 -4.3448 -4.3441 -4.3441 1.9865 1.9865 1.9881 1.9881 2.9410 2.9410 2.9520 2.9520 5.0272 5.0272 5.0747 5.0747 6.1755 6.1755 6.3475 6.3475 6.7456 6.7456 6.8259 6.8259 7.0233 7.0233 7.2526 7.2526 8.2807 8.2807 8.3103 8.3103 9.7128 9.7128 9.7307 9.7307 10.8078 10.8078 10.8302 10.8302 11.7392 11.7392 11.7543 11.7543 k = 0.3100 0.3810 0.3122 ( 2224 PWs) bands (ev): -6.9317 -6.9317 -6.9276 -6.9276 -4.3245 -4.3245 -4.3239 -4.3239 2.0405 2.0405 2.0418 2.0418 2.9270 2.9270 2.9381 2.9381 5.0230 5.0230 5.0711 5.0711 6.1881 6.1881 6.3641 6.3641 6.7618 6.7618 6.8432 6.8432 7.0419 7.0419 7.2773 7.2773 8.2489 8.2489 8.2807 8.2807 9.7022 9.7022 9.7201 9.7201 10.7471 10.7471 10.7702 10.7702 11.6904 11.6904 11.7065 11.7065 k = 0.3000 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.9618 -6.9618 -6.9575 -6.9575 -4.3047 -4.3047 -4.3042 -4.3042 2.0973 2.0973 2.0983 2.0983 2.9128 2.9128 2.9240 2.9240 5.0186 5.0186 5.0672 5.0672 6.2013 6.2013 6.3811 6.3811 6.7787 6.7787 6.8611 6.8611 7.0605 7.0605 7.3016 7.3016 8.2169 8.2169 8.2509 8.2509 9.6908 9.6908 9.7087 9.7087 10.6841 10.6841 10.7079 10.7079 11.6400 11.6400 11.6572 11.6572 k = 0.2900 0.3810 0.3122 ( 2228 PWs) bands (ev): -6.9917 -6.9917 -6.9873 -6.9873 -4.2854 -4.2854 -4.2849 -4.2849 2.1569 2.1569 2.1574 2.1574 2.8988 2.8988 2.9098 2.9098 5.0141 5.0141 5.0629 5.0629 6.2150 6.2150 6.3986 6.3986 6.7965 6.7965 6.8796 6.8796 7.0790 7.0790 7.3255 7.3255 8.1848 8.1848 8.2212 8.2212 9.6788 9.6788 9.6963 9.6963 10.6186 10.6186 10.6429 10.6429 11.5890 11.5890 11.6073 11.6073 k = 0.2800 0.3810 0.3122 ( 2232 PWs) bands (ev): -7.0214 -7.0214 -7.0169 -7.0169 -4.2667 -4.2667 -4.2664 -4.2664 2.2187 2.2187 2.2190 2.2190 2.8849 2.8849 2.8957 2.8957 5.0093 5.0093 5.0583 5.0583 6.2291 6.2291 6.4162 6.4162 6.8150 6.8150 6.8983 6.8983 7.0971 7.0971 7.3486 7.3486 8.1529 8.1529 8.1917 8.1917 9.6659 9.6659 9.6829 9.6829 10.5503 10.5503 10.5750 10.5750 11.5380 11.5380 11.5574 11.5574 k = 0.2700 0.3810 0.3122 ( 2232 PWs) bands (ev): -7.0507 -7.0507 -7.0462 -7.0462 -4.2487 -4.2487 -4.2485 -4.2485 2.2824 2.2824 2.2833 2.2833 2.8716 2.8716 2.8820 2.8820 5.0041 5.0041 5.0532 5.0532 6.2436 6.2436 6.4343 6.4343 6.8341 6.8341 6.9172 6.9172 7.1149 7.1149 7.3710 7.3710 8.1213 8.1213 8.1626 8.1626 9.6524 9.6524 9.6687 9.6687 10.4791 10.4791 10.5039 10.5039 11.4876 11.4876 11.5082 11.5082 k = 0.2600 0.3810 0.3122 ( 2224 PWs) bands (ev): -7.0796 -7.0796 -7.0750 -7.0750 -4.2315 -4.2315 -4.2313 -4.2313 2.3477 2.3477 2.3498 2.3498 2.8592 2.8592 2.8688 2.8688 4.9988 4.9988 5.0477 5.0477 6.2584 6.2584 6.4528 6.4528 6.8538 6.8538 6.9359 6.9359 7.1323 7.1323 7.3924 7.3924 8.0904 8.0904 8.1342 8.1342 9.6382 9.6382 9.6536 9.6536 10.4046 10.4046 10.4295 10.4295 11.4386 11.4386 11.4604 11.4604 k = 0.2500 0.3810 0.3122 ( 2228 PWs) bands (ev): -7.1080 -7.1080 -7.1034 -7.1034 -4.2151 -4.2151 -4.2148 -4.2148 2.4141 2.4141 2.4177 2.4177 2.8483 2.8483 2.8568 2.8568 4.9930 4.9930 5.0418 5.0418 6.2732 6.2732 6.4714 6.4714 6.8739 6.8739 6.9541 6.9541 7.1491 7.1491 7.4125 7.4125 8.0603 8.0603 8.1066 8.1066 9.6233 9.6233 9.6374 9.6374 10.3268 10.3268 10.3515 10.3515 11.3914 11.3914 11.4145 11.4145 k = 0.2400 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.1359 -7.1359 -7.1311 -7.1311 -4.1995 -4.1995 -4.1992 -4.1992 2.4804 2.4804 2.4862 2.4862 2.8402 2.8402 2.8469 2.8469 4.9868 4.9868 5.0353 5.0353 6.2880 6.2880 6.4902 6.4902 6.8942 6.8942 6.9713 6.9713 7.1658 7.1658 7.4313 7.4313 8.0314 8.0314 8.0802 8.0802 9.6077 9.6077 9.6204 9.6204 10.2457 10.2457 10.2700 10.2700 11.3466 11.3466 11.3709 11.3709 k = 0.2300 0.3810 0.3122 ( 2232 PWs) bands (ev): -7.1630 -7.1630 -7.1582 -7.1582 -4.1848 -4.1848 -4.1844 -4.1844 2.5442 2.5442 2.5533 2.5533 2.8370 2.8370 2.8408 2.8408 4.9804 4.9804 5.0284 5.0284 6.3026 6.3026 6.5092 6.5092 6.9148 6.9148 6.9870 6.9870 7.1827 7.1827 7.4486 7.4486 8.0043 8.0043 8.0552 8.0552 9.5918 9.5918 9.6025 9.6025 10.1619 10.1619 10.1854 10.1854 11.3044 11.3044 11.3301 11.3301 k = 0.2200 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.1894 -7.1894 -7.1846 -7.1846 -4.1709 -4.1709 -4.1704 -4.1704 2.6009 2.6009 2.6150 2.6150 2.8427 2.8427 2.8434 2.8434 4.9735 4.9735 5.0209 5.0209 6.3168 6.3168 6.5281 6.5281 6.9351 6.9351 7.0004 7.0004 7.2000 7.2000 7.4641 7.4641 7.9791 7.9791 8.0319 8.0319 9.5752 9.5752 9.5836 9.5836 10.0751 10.0751 10.0976 10.0976 11.2650 11.2650 11.2920 11.2920 k = 0.2100 0.3810 0.3122 ( 2244 PWs) bands (ev): -7.2150 -7.2150 -7.2101 -7.2101 -4.1579 -4.1579 -4.1572 -4.1572 2.6434 2.6434 2.6632 2.6632 2.8604 2.8604 2.8662 2.8662 4.9661 4.9661 5.0129 5.0129 6.3304 6.3304 6.5468 6.5468 6.9551 6.9551 7.0109 7.0109 7.2182 7.2182 7.4779 7.4779 7.9563 7.9563 8.0105 8.0105 9.5581 9.5581 9.5637 9.5637 9.9862 9.9862 10.0071 10.0071 11.2284 11.2284 11.2567 11.2567 k = 0.2000 0.3810 0.3122 ( 2244 PWs) bands (ev): -7.2398 -7.2398 -7.2348 -7.2348 -4.1457 -4.1457 -4.1449 -4.1449 2.6668 2.6668 2.6900 2.6900 2.9019 2.9019 2.9105 2.9105 4.9584 4.9584 5.0044 5.0044 6.3431 6.3431 6.5650 6.5650 6.9746 6.9746 7.0180 7.0180 7.2379 7.2379 7.4899 7.4899 7.9365 7.9365 7.9914 7.9914 9.5406 9.5406 9.5425 9.5425 9.8958 9.8958 9.9145 9.9145 11.1949 11.1949 11.2245 11.2245 k = 0.1900 0.3810 0.3122 ( 2244 PWs) bands (ev): -7.2636 -7.2636 -7.2586 -7.2586 -4.1343 -4.1343 -4.1334 -4.1334 2.6745 2.6745 2.6981 2.6981 2.9642 2.9642 2.9727 2.9727 4.9504 4.9504 4.9955 4.9955 6.3545 6.3545 6.5823 6.5823 6.9933 6.9933 7.0215 7.0215 7.2592 7.2592 7.5002 7.5002 7.9200 7.9200 7.9746 7.9746 9.5195 9.5195 9.5226 9.5226 9.8048 9.8048 9.8202 9.8202 11.1641 11.1641 11.1950 11.1950 k = 0.1800 0.3810 0.3122 ( 2248 PWs) bands (ev): -7.2865 -7.2865 -7.2814 -7.2814 -4.1237 -4.1237 -4.1227 -4.1227 2.6731 2.6731 2.6961 2.6961 3.0386 3.0386 3.0457 3.0457 4.9420 4.9420 4.9860 4.9860 6.3643 6.3643 6.5981 6.5981 7.0107 7.0107 7.0214 7.0214 7.2824 7.2824 7.5090 7.5090 7.9070 7.9070 7.9603 7.9603 9.4936 9.4936 9.5040 9.5040 9.7153 9.7153 9.7250 9.7250 11.1362 11.1362 11.1682 11.1682 k = 0.1700 0.3810 0.3122 ( 2244 PWs) bands (ev): -7.3083 -7.3083 -7.3033 -7.3033 -4.1139 -4.1139 -4.1128 -4.1128 2.6672 2.6672 2.6894 2.6894 3.1195 3.1195 3.1251 3.1251 4.9332 4.9332 4.9761 4.9761 6.3720 6.3720 6.6119 6.6119 7.0183 7.0183 7.0269 7.0269 7.3073 7.3073 7.5168 7.5168 7.8978 7.8978 7.9487 7.9487 9.4617 9.4617 9.4840 9.4840 9.6303 9.6303 9.6307 9.6307 11.1108 11.1108 11.1440 11.1440 k = 0.1600 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.3291 -7.3291 -7.3240 -7.3240 -4.1049 -4.1049 -4.1037 -4.1037 2.6592 2.6592 2.6807 2.6807 3.2042 3.2042 3.2082 3.2082 4.9243 4.9243 4.9659 4.9659 6.3773 6.3773 6.6226 6.6226 7.0131 7.0131 7.0413 7.0413 7.3339 7.3339 7.5245 7.5245 7.8921 7.8921 7.9398 7.9398 9.4171 9.4171 9.4588 9.4588 9.5406 9.5406 9.5583 9.5583 11.0878 11.0878 11.1221 11.1221 k = 0.1500 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.3489 -7.3489 -7.3437 -7.3437 -4.0966 -4.0966 -4.0953 -4.0953 2.6501 2.6501 2.6711 2.6711 3.2911 3.2911 3.2934 3.2934 4.9150 4.9150 4.9550 4.9550 6.3795 6.3795 6.6291 6.6291 7.0071 7.0071 7.0538 7.0538 7.3620 7.3620 7.5326 7.5326 7.8897 7.8897 7.9335 7.9335 9.3528 9.3528 9.4075 9.4075 9.4771 9.4771 9.5059 9.5059 11.0671 11.0671 11.1025 11.1025 k = 0.1400 0.3810 0.3122 ( 2232 PWs) bands (ev): -7.3675 -7.3675 -7.3623 -7.3623 -4.0891 -4.0891 -4.0877 -4.0877 2.6406 2.6406 2.6612 2.6612 3.3794 3.3794 3.3801 3.3801 4.9054 4.9054 4.9438 4.9438 6.3783 6.3783 6.6303 6.6303 7.0017 7.0017 7.0646 7.0646 7.3912 7.3912 7.5419 7.5419 7.8904 7.8904 7.9297 7.9297 9.2727 9.2727 9.3224 9.3224 9.4485 9.4485 9.4701 9.4701 11.0485 11.0485 11.0849 11.0849 k = 0.1300 0.3810 0.3122 ( 2232 PWs) bands (ev): -7.3849 -7.3849 -7.3797 -7.3797 -4.0822 -4.0822 -4.0807 -4.0807 2.6312 2.6312 2.6514 2.6514 3.4673 3.4673 3.4684 3.4684 4.8956 4.8956 4.9321 4.9321 6.3732 6.3732 6.6252 6.6252 6.9983 6.9983 7.0736 7.0736 7.4213 7.4213 7.5531 7.5531 7.8938 7.8938 7.9283 7.9283 9.1855 9.1855 9.2297 9.2297 9.4287 9.4287 9.4427 9.4427 11.0319 11.0319 11.0691 11.0691 k = 0.1200 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4012 -7.4012 -7.3960 -7.3960 -4.0760 -4.0760 -4.0744 -4.0744 2.6219 2.6219 2.6419 2.6419 3.5544 3.5544 3.5574 3.5574 4.8855 4.8855 4.9198 4.9198 6.3640 6.3640 6.6130 6.6130 6.9979 6.9979 7.0812 7.0812 7.4522 7.4522 7.5665 7.5665 7.8996 7.8996 7.9293 7.9293 9.0961 9.0961 9.1366 9.1366 9.4114 9.4114 9.4195 9.4195 11.0170 11.0170 11.0551 11.0551 k = 0.1100 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4163 -7.4163 -7.4110 -7.4110 -4.0705 -4.0705 -4.0688 -4.0688 2.6131 2.6131 2.6328 2.6328 3.6407 3.6407 3.6460 3.6460 4.8752 4.8752 4.9071 4.9071 6.3508 6.3508 6.5940 6.5940 7.0009 7.0009 7.0878 7.0878 7.4836 7.4836 7.5822 7.5822 7.9076 7.9076 7.9326 7.9326 9.0068 9.0068 9.0447 9.0447 9.3953 9.3953 9.3988 9.3988 11.0038 11.0038 11.0426 11.0426 k = 0.1000 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4301 -7.4301 -7.4248 -7.4248 -4.0655 -4.0655 -4.0637 -4.0637 2.6048 2.6048 2.6243 2.6243 3.7257 3.7257 3.7336 3.7336 4.8648 4.8648 4.8937 4.8937 6.3336 6.3336 6.5689 6.5689 7.0070 7.0070 7.0937 7.0937 7.5151 7.5151 7.6001 7.6001 7.9178 7.9178 7.9382 7.9382 8.9187 8.9187 8.9546 8.9546 9.3798 9.3798 9.3805 9.3805 10.9921 10.9921 11.0316 11.0316 k = 0.0900 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4426 -7.4426 -7.4374 -7.4374 -4.0611 -4.0611 -4.0593 -4.0593 2.5971 2.5971 2.6165 2.6165 3.8085 3.8085 3.8193 3.8193 4.8540 4.8540 4.8797 4.8797 6.3129 6.3129 6.5391 6.5391 7.0156 7.0156 7.0992 7.0992 7.5465 7.5465 7.6196 7.6196 7.9300 7.9300 7.9462 7.9462 8.8325 8.8325 8.8669 8.8669 9.3624 9.3624 9.3666 9.3666 10.9819 10.9819 11.0220 11.0220 k = 0.0800 0.3810 0.3122 ( 2240 PWs) bands (ev): -7.4539 -7.4539 -7.4486 -7.4486 -4.0572 -4.0572 -4.0553 -4.0553 2.5901 2.5901 2.6093 2.6093 3.8883 3.8883 3.9025 3.9025 4.8431 4.8431 4.8650 4.8650 6.2894 6.2894 6.5061 6.5061 7.0257 7.0257 7.1046 7.1046 7.5774 7.5774 7.6402 7.6402 7.9447 7.9447 7.9567 7.9567 8.7489 8.7489 8.7820 8.7820 9.3465 9.3465 9.3539 9.3539 10.9729 10.9729 11.0137 11.0137 k = 0.0700 0.3810 0.3122 ( 2232 PWs) bands (ev): -7.4639 -7.4639 -7.4586 -7.4586 -4.0539 -4.0539 -4.0519 -4.0519 2.5838 2.5838 2.6029 2.6029 3.9642 3.9642 3.9823 3.9823 4.8319 4.8319 4.8496 4.8496 6.2641 6.2641 6.4716 6.4716 7.0367 7.0367 7.1100 7.1100 7.6072 7.6072 7.6611 7.6611 7.9621 7.9621 7.9701 7.9701 8.6681 8.6681 8.7001 8.7001 9.3321 9.3321 9.3424 9.3424 10.9653 10.9653 11.0065 11.0065 k = 0.0600 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4726 -7.4726 -7.4673 -7.4673 -4.0510 -4.0510 -4.0490 -4.0490 2.5783 2.5783 2.5973 2.5973 4.0349 4.0349 4.0577 4.0577 4.8206 4.8206 4.8333 4.8333 6.2382 6.2382 6.4372 6.4372 7.0475 7.0475 7.1152 7.1152 7.6349 7.6349 7.6811 7.6811 7.9828 7.9828 7.9869 7.9869 8.5906 8.5906 8.6216 8.6216 9.3194 9.3194 9.3322 9.3322 10.9587 10.9587 11.0004 11.0004 k = 0.0500 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4800 -7.4800 -7.4747 -7.4747 -4.0486 -4.0486 -4.0466 -4.0466 2.5735 2.5735 2.5925 2.5925 4.0994 4.0994 4.1273 4.1273 4.8093 4.8093 4.8165 4.8165 6.2130 6.2130 6.4045 6.4045 7.0577 7.0577 7.1200 7.1200 7.6603 7.6603 7.6997 7.6997 8.0073 8.0073 8.0076 8.0076 8.5167 8.5167 8.5468 8.5468 9.3084 9.3084 9.3234 9.3234 10.9534 10.9534 10.9954 10.9954 k = 0.0400 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4861 -7.4861 -7.4807 -7.4807 -4.0467 -4.0467 -4.0447 -4.0447 2.5696 2.5696 2.5885 2.5885 4.1559 4.1559 4.1896 4.1896 4.7984 4.7984 4.7995 4.7995 6.1898 6.1898 6.3751 6.3751 7.0667 7.0667 7.1243 7.1243 7.6821 7.6821 7.7159 7.7159 8.0328 8.0328 8.0358 8.0358 8.4468 8.4468 8.4763 8.4763 9.2992 9.2992 9.3161 9.3161 10.9490 10.9490 10.9913 10.9913 k = 0.0300 0.3810 0.3122 ( 2228 PWs) bands (ev): -7.4908 -7.4908 -7.4854 -7.4854 -4.0452 -4.0452 -4.0431 -4.0431 2.5666 2.5666 2.5854 2.5854 4.2030 4.2030 4.2426 4.2426 4.7833 4.7833 4.7884 4.7884 6.1701 6.1701 6.3505 6.3505 7.0742 7.0742 7.1280 7.1280 7.6998 7.6998 7.7290 7.7290 8.0625 8.0625 8.0683 8.0683 8.3816 8.3816 8.4107 8.4107 9.2920 9.2920 9.3103 9.3103 10.9457 10.9457 10.9882 10.9882 k = 0.0200 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4941 -7.4941 -7.4888 -7.4888 -4.0442 -4.0442 -4.0421 -4.0421 2.5643 2.5643 2.5832 2.5832 4.2385 4.2385 4.2836 4.2836 4.7692 4.7692 4.7801 4.7801 6.1548 6.1548 6.3317 6.3317 7.0796 7.0796 7.1307 7.1307 7.7127 7.7127 7.7385 7.7385 8.0962 8.0962 8.1036 8.1036 8.3222 8.3222 8.3515 8.3515 9.2867 9.2867 9.3061 9.3061 10.9433 10.9433 10.9860 10.9860 k = 0.0100 0.3810 0.3122 ( 2236 PWs) bands (ev): -7.4962 -7.4962 -7.4908 -7.4908 -4.0436 -4.0436 -4.0415 -4.0415 2.5630 2.5630 2.5818 2.5818 4.2607 4.2607 4.3100 4.3100 4.7594 4.7594 4.7746 4.7746 6.1453 6.1453 6.3201 6.3201 7.0830 7.0830 7.1324 7.1324 7.7205 7.7205 7.7443 7.7443 8.1305 8.1305 8.1374 8.1374 8.2724 8.2724 8.3035 8.3035 9.2835 9.2835 9.3036 9.3036 10.9419 10.9419 10.9847 10.9847 k = 0.0000 0.3810 0.3122 ( 2240 PWs) bands (ev): -7.4968 -7.4968 -7.4915 -7.4915 -4.0434 -4.0434 -4.0413 -4.0413 2.5626 2.5626 2.5814 2.5814 4.2683 4.2683 4.3191 4.3191 4.7558 4.7558 4.7726 4.7726 6.1421 6.1421 6.3161 6.3161 7.0840 7.0840 7.1329 7.1329 7.7231 7.7231 7.7462 7.7462 8.1495 8.1495 8.1543 8.1543 8.2482 8.2482 8.2817 8.2817 9.2825 9.2825 9.3027 9.3027 10.9414 10.9414 10.9842 10.9842 k = 0.0000 0.3810 0.3122 ( 2240 PWs) bands (ev): -7.4968 -7.4968 -7.4915 -7.4915 -4.0434 -4.0434 -4.0413 -4.0413 2.5626 2.5626 2.5814 2.5814 4.2683 4.2683 4.3191 4.3191 4.7558 4.7558 4.7726 4.7726 6.1421 6.1421 6.3161 6.3161 7.0840 7.0840 7.1329 7.1329 7.7231 7.7231 7.7462 7.7462 8.1495 8.1495 8.1543 8.1543 8.2482 8.2482 8.2817 8.2817 9.2825 9.2825 9.3027 9.3027 10.9414 10.9414 10.9842 10.9842 k = 0.0000 0.3710 0.3122 ( 2240 PWs) bands (ev): -7.4996 -7.4996 -7.4942 -7.4942 -4.0385 -4.0385 -4.0363 -4.0363 2.5634 2.5634 2.5822 2.5822 4.2622 4.2622 4.3128 4.3128 4.7604 4.7604 4.7774 4.7774 6.1432 6.1432 6.3172 6.3172 7.0787 7.0787 7.1243 7.1243 7.7106 7.7106 7.7387 7.7387 8.1403 8.1403 8.1414 8.1414 8.2704 8.2704 8.3013 8.3013 9.2863 9.2863 9.3073 9.3073 10.9444 10.9444 10.9874 10.9874 k = 0.0000 0.3610 0.3122 ( 2236 PWs) bands (ev): -7.5077 -7.5077 -7.5024 -7.5024 -4.0238 -4.0238 -4.0217 -4.0217 2.5660 2.5660 2.5847 2.5847 4.2446 4.2446 4.2946 4.2946 4.7734 4.7734 4.7906 4.7906 6.1466 6.1466 6.3204 6.3204 7.0626 7.0626 7.0992 7.0992 7.6783 7.6783 7.7197 7.7197 8.1132 8.1132 8.1164 8.1164 8.3232 8.3232 8.3521 8.3521 9.2974 9.2974 9.3208 9.3208 10.9531 10.9531 10.9966 10.9966 k = 0.0000 0.3509 0.3122 ( 2238 PWs) bands (ev): -7.5211 -7.5211 -7.5159 -7.5159 -3.9995 -3.9995 -3.9974 -3.9974 2.5703 2.5703 2.5888 2.5888 4.2176 4.2176 4.2668 4.2668 4.7923 4.7923 4.8098 4.8098 6.1522 6.1522 6.3258 6.3258 7.0354 7.0354 7.0589 7.0589 7.6365 7.6365 7.6959 7.6959 8.0761 8.0761 8.0808 8.0808 8.3926 8.3926 8.4217 8.4217 9.3153 9.3153 9.3424 9.3424 10.9676 10.9676 11.0119 11.0119 k = 0.0000 0.3409 0.3122 ( 2238 PWs) bands (ev): -7.5395 -7.5395 -7.5343 -7.5343 -3.9659 -3.9659 -3.9639 -3.9639 2.5762 2.5762 2.5945 2.5945 4.1835 4.1835 4.2321 4.2321 4.8144 4.8144 4.8318 4.8318 6.1600 6.1600 6.3330 6.3330 6.9977 6.9977 7.0061 7.0061 7.5937 7.5937 7.6724 7.6724 8.0309 8.0309 8.0352 8.0352 8.4718 8.4718 8.5012 8.5012 9.3393 9.3393 9.3713 9.3713 10.9875 10.9875 11.0329 11.0329 k = 0.0000 0.3309 0.3122 ( 2240 PWs) bands (ev): -7.5625 -7.5625 -7.5574 -7.5574 -3.9233 -3.9233 -3.9215 -3.9215 2.5838 2.5838 2.6018 2.6018 4.1442 4.1442 4.1924 4.1924 4.8370 4.8370 4.8539 4.8539 6.1699 6.1699 6.3420 6.3420 6.9444 6.9444 6.9506 6.9506 7.5551 7.5551 7.6518 7.6518 7.9783 7.9783 7.9811 7.9811 8.5556 8.5556 8.5848 8.5848 9.3687 9.3687 9.4065 9.4065 11.0127 11.0127 11.0593 11.0593 k = 0.0000 0.3208 0.3122 ( 2248 PWs) bands (ev): -7.5897 -7.5897 -7.5847 -7.5847 -3.8724 -3.8724 -3.8706 -3.8706 2.5929 2.5929 2.6105 2.6105 4.1016 4.1016 4.1496 4.1496 4.8576 4.8576 4.8735 4.8735 6.1817 6.1817 6.3526 6.3526 6.8776 6.8776 6.8967 6.8967 7.5223 7.5223 7.6342 7.6342 7.9195 7.9195 7.9201 7.9201 8.6403 8.6403 8.6684 8.6684 9.4031 9.4031 9.4474 9.4474 11.0427 11.0427 11.0907 11.0907 k = 0.0000 0.3108 0.3122 ( 2242 PWs) bands (ev): -7.6206 -7.6206 -7.6158 -7.6158 -3.8134 -3.8134 -3.8118 -3.8118 2.6036 2.6036 2.6208 2.6208 4.0567 4.0567 4.1047 4.1047 4.8741 4.8741 4.8883 4.8883 6.1953 6.1953 6.3644 6.3644 6.8095 6.8095 6.8394 6.8394 7.4955 7.4955 7.6191 7.6191 7.8542 7.8542 7.8563 7.8563 8.7231 8.7231 8.7490 8.7490 9.4426 9.4426 9.4940 9.4940 11.0773 11.0773 11.1267 11.1267 k = 0.0000 0.3008 0.3122 ( 2238 PWs) bands (ev): -7.6548 -7.6548 -7.6501 -7.6501 -3.7470 -3.7470 -3.7455 -3.7455 2.6158 2.6158 2.6324 2.6324 4.0103 4.0103 4.0586 4.0586 4.8844 4.8844 4.8964 4.8964 6.2104 6.2104 6.3768 6.3768 6.7436 6.7436 6.7823 6.7823 7.4733 7.4733 7.6051 7.6051 7.7849 7.7849 7.7907 7.7907 8.8011 8.8011 8.8242 8.8242 9.4876 9.4876 9.5461 9.5461 11.1157 11.1157 11.1666 11.1666 k = 0.0000 0.2908 0.3122 ( 2226 PWs) bands (ev): -7.6917 -7.6917 -7.6872 -7.6872 -3.6736 -3.6736 -3.6722 -3.6722 2.6292 2.6292 2.6452 2.6452 3.9632 3.9632 4.0119 4.0119 4.8869 4.8869 4.8961 4.8961 6.2264 6.2264 6.3892 6.3892 6.6829 6.6829 6.7293 6.7293 7.4542 7.4542 7.5895 7.5895 7.7144 7.7144 7.7262 7.7262 8.8722 8.8722 8.8921 8.8921 9.5386 9.5386 9.6040 9.6040 11.1577 11.1577 11.2099 11.2099 k = 0.0000 0.2807 0.3122 ( 2232 PWs) bands (ev): -7.7309 -7.7309 -7.7266 -7.7266 -3.5939 -3.5939 -3.5927 -3.5927 2.6439 2.6439 2.6591 2.6591 3.9154 3.9154 3.9647 3.9647 4.8798 4.8798 4.8857 4.8857 6.2425 6.2425 6.4002 6.4002 6.6298 6.6298 6.6833 6.6833 7.4359 7.4359 7.5661 7.5661 7.6451 7.6451 7.6697 7.6697 8.9345 8.9345 8.9513 8.9513 9.5960 9.5960 9.6676 9.6676 11.2025 11.2025 11.2559 11.2559 k = 0.0000 0.2707 0.3122 ( 2232 PWs) bands (ev): -7.7719 -7.7719 -7.7678 -7.7678 -3.5085 -3.5085 -3.5075 -3.5075 2.6596 2.6596 2.6741 2.6741 3.8674 3.8674 3.9175 3.9175 4.8623 4.8623 4.8646 4.8646 6.2576 6.2576 6.4086 6.4086 6.5864 6.5864 6.6473 6.6473 7.4154 7.4154 7.5253 7.5253 7.5813 7.5813 7.6323 7.6323 8.9871 8.9871 9.0012 9.0012 9.6601 9.6601 9.7368 9.7368 11.2495 11.2495 11.3040 11.3040 k = 0.0000 0.2607 0.3122 ( 2236 PWs) bands (ev): -7.8142 -7.8142 -7.8103 -7.8103 -3.4178 -3.4178 -3.4169 -3.4169 2.6763 2.6763 2.6898 2.6898 3.8193 3.8193 3.8702 3.8702 4.8324 4.8324 4.8339 4.8339 6.2703 6.2703 6.4132 6.4132 6.5542 6.5542 6.6228 6.6228 7.3876 7.3876 7.4692 7.4692 7.5292 7.5292 7.6130 7.6130 9.0298 9.0298 9.0417 9.0417 9.7304 9.7304 9.8110 9.8110 11.2984 11.2984 11.3537 11.3537 k = 0.0000 0.2507 0.3122 ( 2240 PWs) bands (ev): -7.8575 -7.8575 -7.8537 -7.8537 -3.3224 -3.3224 -3.3216 -3.3216 2.6937 2.6937 2.7061 2.7061 3.7710 3.7710 3.8229 3.8229 4.7896 4.7896 4.7947 4.7947 6.2790 6.2790 6.4133 6.4133 6.5338 6.5338 6.6094 6.6094 7.3486 7.3486 7.4093 7.4093 7.4942 7.4942 7.6022 7.6022 9.0629 9.0629 9.0734 9.0734 9.8058 9.8058 9.8890 9.8890 11.3483 11.3483 11.4042 11.4042 k = 0.0000 0.2406 0.3122 ( 2248 PWs) bands (ev): -7.9013 -7.9013 -7.8978 -7.8978 -3.2227 -3.2227 -3.2221 -3.2221 2.7116 2.7116 2.7228 2.7228 3.7225 3.7225 3.7753 3.7753 4.7373 4.7373 4.7459 4.7459 6.2820 6.2820 6.4091 6.4091 6.5246 6.5246 6.6049 6.6049 7.3025 7.3025 7.3525 7.3525 7.4746 7.4746 7.5948 7.5948 9.0873 9.0873 9.0968 9.0968 9.8852 9.8852 9.9698 9.9698 11.3989 11.3989 11.4552 11.4552 k = 0.0000 0.2306 0.3122 ( 2244 PWs) bands (ev): -7.9454 -7.9454 -7.9419 -7.9419 -3.1192 -3.1192 -3.1187 -3.1187 2.7300 2.7300 2.7398 2.7398 3.6734 3.6734 3.7271 3.7271 4.6775 4.6775 4.6889 4.6889 6.2781 6.2781 6.4003 6.4003 6.5247 6.5247 6.6064 6.6064 7.2575 7.2575 7.3032 7.3032 7.4648 7.4648 7.5892 7.5892 9.1043 9.1043 9.1132 9.1132 9.9672 9.9672 10.0523 10.0523 11.4497 11.4497 11.5061 11.5061 k = 0.0000 0.2206 0.3122 ( 2246 PWs) bands (ev): -7.9892 -7.9892 -7.9860 -7.9860 -3.0125 -3.0125 -3.0120 -3.0120 2.7482 2.7482 2.7566 2.7566 3.6233 3.6233 3.6777 3.6777 4.6124 4.6124 4.6259 4.6259 6.2664 6.2664 6.3855 6.3855 6.5315 6.5315 6.6118 6.6118 7.2198 7.2198 7.2644 7.2644 7.4609 7.4609 7.5845 7.5845 9.1147 9.1147 9.1230 9.1230 10.0505 10.0505 10.1353 10.1353 11.5001 11.5001 11.5564 11.5564 k = 0.0000 0.2106 0.3122 ( 2250 PWs) bands (ev): -8.0327 -8.0327 -8.0296 -8.0296 -2.9028 -2.9028 -2.9025 -2.9025 2.7662 2.7662 2.7729 2.7729 3.5716 3.5716 3.6264 3.6264 4.5447 4.5447 4.5594 4.5594 6.2459 6.2459 6.3617 6.3617 6.5427 6.5427 6.6207 6.6207 7.1930 7.1930 7.2385 7.2385 7.4614 7.4614 7.5805 7.5805 9.1193 9.1193 9.1271 9.1271 10.1340 10.1340 10.2179 10.2179 11.5498 11.5498 11.6057 11.6057 k = 0.0000 0.2005 0.3122 ( 2246 PWs) bands (ev): -8.0755 -8.0755 -8.0726 -8.0726 -2.7907 -2.7907 -2.7904 -2.7904 2.7835 2.7835 2.7884 2.7884 3.5177 3.5177 3.5724 3.5724 4.4772 4.4772 4.4921 4.4921 6.2156 6.2156 6.3267 6.3267 6.5568 6.5568 6.6340 6.6340 7.1777 7.1777 7.2271 7.2271 7.4663 7.4663 7.5771 7.5771 9.1189 9.1189 9.1260 9.1260 10.2169 10.2169 10.2994 10.2994 11.5985 11.5985 11.6538 11.6538 k = 0.0000 0.1905 0.3122 ( 2246 PWs) bands (ev): -8.1173 -8.1173 -8.1146 -8.1146 -2.6766 -2.6766 -2.6763 -2.6763 2.7998 2.7998 2.8028 2.8028 3.4605 3.4605 3.5146 3.5146 4.4127 4.4127 4.4265 4.4265 6.1748 6.1748 6.2795 6.2795 6.5733 6.5733 6.6518 6.6518 7.1729 7.1729 7.2299 7.2299 7.4756 7.4756 7.5742 7.5742 9.1139 9.1139 9.1201 9.1201 10.2983 10.2983 10.3792 10.3792 11.6458 11.6458 11.7001 11.7001 k = 0.0000 0.1805 0.3122 ( 2254 PWs) bands (ev): -8.1580 -8.1580 -8.1554 -8.1554 -2.5609 -2.5609 -2.5607 -2.5607 2.8145 2.8145 2.8154 2.8154 3.3995 3.3995 3.4521 3.4521 4.3539 4.3539 4.3654 4.3654 6.1238 6.1238 6.2211 6.2211 6.5918 6.5918 6.6742 6.6742 7.1758 7.1758 7.2457 7.2457 7.4900 7.4900 7.5720 7.5720 9.1048 9.1048 9.1098 9.1098 10.3779 10.3779 10.4566 10.4566 11.6913 11.6913 11.7445 11.7445 k = 0.0000 0.1704 0.3122 ( 2250 PWs) bands (ev): -8.1974 -8.1974 -8.1949 -8.1949 -2.4442 -2.4442 -2.4439 -2.4439 2.8261 2.8261 2.8274 2.8274 3.3339 3.3339 3.3842 3.3842 4.3032 4.3032 4.3113 4.3113 6.0638 6.0638 6.1537 6.1537 6.6125 6.6125 6.7005 6.7005 7.1833 7.1833 7.2722 7.2722 7.5105 7.5105 7.5708 7.5708 9.0918 9.0918 9.0955 9.0955 10.4550 10.4550 10.5313 10.5313 11.7351 11.7351 11.7869 11.7869 k = 0.0000 0.1604 0.3122 ( 2256 PWs) bands (ev): -8.2352 -8.2352 -8.2330 -8.2330 -2.3269 -2.3269 -2.3265 -2.3265 2.8340 2.8340 2.8376 2.8376 3.2635 3.2635 3.3110 3.3110 4.2621 4.2621 4.2658 4.2658 5.9964 5.9964 6.0794 6.0794 6.6350 6.6350 6.7297 6.7297 7.1926 7.1926 7.3064 7.3064 7.5373 7.5373 7.5712 7.5712 9.0753 9.0753 9.0774 9.0774 10.5293 10.5293 10.6029 10.6029 11.7769 11.7769 11.8270 11.8270 k = 0.0000 0.1504 0.3122 ( 2254 PWs) bands (ev): -8.2714 -8.2714 -8.2693 -8.2693 -2.2094 -2.2094 -2.2090 -2.2090 2.8384 2.8384 2.8442 2.8442 3.1890 3.1890 3.2333 3.2333 4.2305 4.2305 4.2319 4.2319 5.9232 5.9232 6.0002 6.0002 6.6592 6.6592 6.7610 6.7610 7.2017 7.2017 7.3450 7.3450 7.5708 7.5708 7.5745 7.5745 9.0555 9.0555 9.0557 9.0557 10.6005 10.6005 10.6711 10.6711 11.8166 11.8166 11.8647 11.8647 k = 0.0000 0.1404 0.3122 ( 2254 PWs) bands (ev): -8.3058 -8.3058 -8.3039 -8.3039 -2.0923 -2.0923 -2.0918 -2.0918 2.8372 2.8372 2.8452 2.8452 3.1126 3.1126 3.1535 3.1535 4.2059 4.2059 4.2126 4.2126 5.8458 5.8458 5.9175 5.9175 6.6846 6.6846 6.7936 6.7936 7.2095 7.2095 7.3839 7.3839 7.5831 7.5831 7.6107 7.6107 9.0304 9.0304 9.0324 9.0324 10.6684 10.6684 10.7356 10.7356 11.8540 11.8540 11.9000 11.9000 k = 0.0000 0.1303 0.3122 ( 2254 PWs) bands (ev): -8.3383 -8.3383 -8.3365 -8.3365 -1.9762 -1.9762 -1.9757 -1.9757 2.8271 2.8271 2.8364 2.8364 3.0396 3.0396 3.0763 3.0763 4.1922 4.1922 4.2042 4.2042 5.7652 5.7652 5.8326 5.8326 6.7108 6.7108 6.8267 6.8267 7.2156 7.2156 7.4175 7.4175 7.6009 7.6009 7.6562 7.6562 9.0018 9.0018 9.0063 9.0063 10.7326 10.7326 10.7964 10.7964 11.8890 11.8890 11.9327 11.9327 k = 0.0000 0.1203 0.3122 ( 2254 PWs) bands (ev): -8.3688 -8.3688 -8.3671 -8.3671 -1.8617 -1.8617 -1.8612 -1.8612 2.8008 2.8008 2.8081 2.8081 2.9808 2.9808 3.0106 3.0106 4.1889 4.1889 4.2059 4.2059 5.6825 5.6825 5.7462 5.7462 6.7376 6.7376 6.8598 6.8598 7.2201 7.2201 7.4411 7.4411 7.6315 7.6315 7.7065 7.7065 8.9700 8.9700 8.9771 8.9771 10.7932 10.7932 10.8531 10.8531 11.9216 11.9216 11.9628 11.9628 k = 0.0000 0.1103 0.3122 ( 2250 PWs) bands (ev): -8.3971 -8.3971 -8.3956 -8.3956 -1.7497 -1.7497 -1.7491 -1.7491 2.7503 2.7503 2.7518 2.7518 2.9462 2.9462 2.9659 2.9659 4.1955 4.1955 4.2169 4.2169 5.5986 5.5986 5.6592 5.6592 6.7646 6.7646 6.8922 6.8922 7.2234 7.2234 7.4536 7.4536 7.6753 7.6753 7.7605 7.7605 8.9350 8.9350 8.9451 8.9451 10.8498 10.8498 10.9058 10.9058 11.9519 11.9519 11.9903 11.9903 k = 0.0000 0.1003 0.3122 ( 2250 PWs) bands (ev): -8.4232 -8.4232 -8.4218 -8.4218 -1.6408 -1.6408 -1.6403 -1.6403 2.6752 2.6752 2.6783 2.6783 2.9299 2.9299 2.9412 2.9412 4.2111 4.2111 4.2363 4.2363 5.5141 5.5141 5.5721 5.5721 6.7916 6.7916 6.9230 6.9230 7.2262 7.2262 7.4575 7.4575 7.7285 7.7285 7.8174 7.8174 8.8971 8.8971 8.9103 8.9103 10.9024 10.9024 10.9541 10.9541 11.9796 11.9796 12.0151 12.0151 k = 0.0000 0.0902 0.3122 ( 2246 PWs) bands (ev): -8.4471 -8.4471 -8.4458 -8.4458 -1.5361 -1.5361 -1.5356 -1.5356 2.5906 2.5906 2.5957 2.5957 2.9216 2.9216 2.9279 2.9279 4.2347 4.2347 4.2633 4.2633 5.4296 5.4296 5.4853 5.4853 6.8181 6.8181 6.9516 6.9516 7.2291 7.2291 7.4560 7.4560 7.7877 7.7877 7.8764 7.8764 8.8562 8.8562 8.8727 8.8727 10.9509 10.9509 10.9981 10.9981 12.0048 12.0048 12.0372 12.0372 k = 0.0000 0.0802 0.3122 ( 2250 PWs) bands (ev): -8.4686 -8.4686 -8.4674 -8.4674 -1.4367 -1.4367 -1.4362 -1.4362 2.5046 2.5046 2.5100 2.5100 2.9163 2.9163 2.9197 2.9197 4.2656 4.2656 4.2970 4.2970 5.3454 5.3454 5.3992 5.3992 6.8441 6.8441 6.9770 6.9770 7.2329 7.2329 7.4508 7.4508 7.8504 7.8504 7.9369 7.9369 8.8126 8.8126 8.8326 8.8326 10.9951 10.9951 11.0376 11.0376 12.0275 12.0275 12.0567 12.0567 k = 0.0000 0.0702 0.3122 ( 2252 PWs) bands (ev): -8.4876 -8.4876 -8.4867 -8.4867 -1.3438 -1.3438 -1.3433 -1.3433 2.4213 2.4213 2.4263 2.4263 2.9123 2.9123 2.9140 2.9140 4.3030 4.3030 4.3368 4.3368 5.2621 5.2621 5.3141 5.3141 6.8692 6.8692 6.9983 6.9983 7.2384 7.2384 7.4429 7.4429 7.9150 7.9150 7.9982 7.9982 8.7662 8.7662 8.7899 8.7899 11.0348 11.0348 11.0725 11.0725 12.0478 12.0478 12.0736 12.0736 k = 0.0000 0.0602 0.3122 ( 2252 PWs) bands (ev): -8.5043 -8.5043 -8.5034 -8.5034 -1.2586 -1.2586 -1.2582 -1.2582 2.3431 2.3431 2.3475 2.3475 2.9089 2.9089 2.9096 2.9096 4.3461 4.3461 4.3818 4.3818 5.1801 5.1801 5.2305 5.2305 6.8933 6.8933 7.0145 7.0145 7.2465 7.2465 7.4330 7.4330 7.9807 7.9807 8.0600 8.0600 8.7174 8.7174 8.7449 8.7449 11.0700 11.0700 11.1027 11.1027 12.0655 12.0655 12.0878 12.0878 k = 0.0000 0.0501 0.3122 ( 2252 PWs) bands (ev): -8.5184 -8.5184 -8.5177 -8.5177 -1.1828 -1.1828 -1.1824 -1.1824 2.2724 2.2724 2.2760 2.2760 2.9060 2.9060 2.9062 2.9062 4.3942 4.3942 4.4313 4.4313 5.0998 5.0998 5.1486 5.1486 6.9162 6.9162 7.0253 7.0253 7.2575 7.2575 7.4214 7.4214 8.0467 8.0467 8.1218 8.1218 8.6663 8.6663 8.6977 8.6977 11.1006 11.1006 11.1280 11.1280 12.0807 12.0807 12.0995 12.0995 k = 0.0000 0.0401 0.3122 ( 2240 PWs) bands (ev): -8.5300 -8.5300 -8.5294 -8.5294 -1.1178 -1.1178 -1.1174 -1.1174 2.2113 2.2113 2.2142 2.2142 2.9034 2.9034 2.9036 2.9036 4.4464 4.4464 4.4846 4.4846 5.0219 5.0219 5.0690 5.0690 6.9379 6.9379 7.0305 7.0305 7.2715 7.2715 7.4082 7.4082 8.1126 8.1126 8.1831 8.1831 8.6132 8.6132 8.6485 8.6485 11.1264 11.1264 11.1485 11.1485 12.0936 12.0936 12.1087 12.1087 k = 0.0000 0.0301 0.3122 ( 2242 PWs) bands (ev): -8.5390 -8.5390 -8.5385 -8.5385 -1.0651 -1.0651 -1.0648 -1.0648 2.1614 2.1614 2.1635 2.1635 2.9012 2.9012 2.9015 2.9015 4.5020 4.5020 4.5404 4.5404 4.9472 4.9472 4.9921 4.9921 6.9579 6.9579 7.0305 7.0305 7.2876 7.2876 7.3934 7.3934 8.1776 8.1776 8.2432 8.2432 8.5586 8.5586 8.5975 8.5975 11.1472 11.1472 11.1639 11.1639 12.1039 12.1039 12.1153 12.1153 k = 0.0000 0.0201 0.3122 ( 2234 PWs) bands (ev): -8.5455 -8.5455 -8.5451 -8.5451 -1.0263 -1.0263 -1.0261 -1.0261 2.1246 2.1246 2.1260 2.1260 2.8997 2.8997 2.9000 2.9000 4.5593 4.5593 4.5963 4.5963 4.8784 4.8784 4.9195 4.9195 6.9761 6.9761 7.0260 7.0260 7.3054 7.3054 7.3774 7.3774 8.2414 8.2414 8.3009 8.3009 8.5036 8.5036 8.5453 8.5453 11.1630 11.1630 11.1741 11.1741 12.1119 12.1119 12.1195 12.1195 k = 0.0000 0.0100 0.3122 ( 2240 PWs) bands (ev): -8.5493 -8.5493 -8.5491 -8.5491 -1.0025 -1.0025 -1.0023 -1.0023 2.1019 2.1019 2.1026 2.1026 2.8988 2.8988 2.8990 2.8990 4.6145 4.6145 4.6434 4.6434 4.8239 4.8239 4.8548 4.8548 6.9924 6.9924 7.0177 7.0177 7.3238 7.3238 7.3602 7.3602 8.3021 8.3021 8.3501 8.3501 8.4541 8.4541 8.4932 8.4932 11.1736 11.1736 11.1792 11.1792 12.1173 12.1173 12.1212 12.1212 k = 0.0000 0.0000 0.3122 ( 2240 PWs) bands (ev): -8.5506 -8.5506 -8.5504 -8.5504 -0.9945 -0.9945 -0.9943 -0.9943 2.0944 2.0944 2.0947 2.0947 2.8985 2.8985 2.8986 2.8986 4.6532 4.6532 4.6534 4.6534 4.8121 4.8121 4.8121 4.8121 7.0062 7.0062 7.0065 7.0065 7.3422 7.3422 7.3423 7.3423 8.3525 8.3525 8.3525 8.3525 8.4486 8.4486 8.4488 8.4488 11.1789 11.1789 11.1791 11.1791 12.1203 12.1203 12.1205 12.1205 k = 0.0000 0.3810-0.0000 ( 2228 PWs) bands (ev): -7.5333 -7.5333 -7.5331 -7.5331 -3.9966 -3.9966 -3.9963 -3.9963 2.8911 2.8911 2.8913 2.8913 4.2059 4.2059 4.2062 4.2062 4.6129 4.6129 4.6130 4.6130 6.3208 6.3208 6.3210 6.3210 7.0258 7.0258 7.0261 7.0261 7.2728 7.2728 7.2731 7.2731 8.1228 8.1228 8.1229 8.1229 8.9569 8.9569 8.9571 8.9571 9.1758 9.1758 9.1759 9.1759 10.2778 10.2778 10.2778 10.2778 k = 0.0000 0.3810 0.0101 ( 2232 PWs) bands (ev): -7.5332 -7.5332 -7.5329 -7.5329 -3.9967 -3.9967 -3.9965 -3.9965 2.8896 2.8896 2.8908 2.8908 4.2049 4.2049 4.2077 4.2077 4.6127 4.6127 4.6141 4.6141 6.3145 6.3145 6.3267 6.3267 7.0217 7.0217 7.0308 7.0308 7.2732 7.2732 7.2743 7.2743 8.1227 8.1227 8.1230 8.1230 8.9424 8.9424 8.9527 8.9527 9.1800 9.1800 9.1917 9.1917 10.2745 10.2745 10.2804 10.2804 k = 0.0000 0.3810 0.0201 ( 2234 PWs) bands (ev): -7.5331 -7.5331 -7.5325 -7.5325 -3.9971 -3.9971 -3.9968 -3.9968 2.8862 2.8862 2.8885 2.8885 4.2043 4.2043 4.2099 4.2099 4.6135 4.6135 4.6162 4.6162 6.3078 6.3078 6.3320 6.3320 7.0183 7.0183 7.0362 7.0362 7.2749 7.2749 7.2770 7.2770 8.1225 8.1225 8.1231 8.1231 8.9149 8.9149 8.9318 8.9318 9.2022 9.2022 9.2220 9.2220 10.2705 10.2705 10.2823 10.2823 k = 0.0000 0.3810 0.0302 ( 2234 PWs) bands (ev): -7.5327 -7.5327 -7.5319 -7.5319 -3.9978 -3.9978 -3.9973 -3.9973 2.8809 2.8809 2.8843 2.8843 4.2042 4.2042 4.2126 4.2126 4.6152 4.6152 4.6192 4.6192 6.3007 6.3007 6.3368 6.3368 7.0158 7.0158 7.0421 7.0421 7.2783 7.2783 7.2811 7.2811 8.1223 8.1223 8.1232 8.1232 8.8808 8.8808 8.9012 8.9012 9.2353 9.2353 9.2600 9.2600 10.2662 10.2662 10.2839 10.2839 k = 0.0000 0.3810 0.0403 ( 2230 PWs) bands (ev): -7.5321 -7.5321 -7.5311 -7.5311 -3.9986 -3.9986 -3.9981 -3.9981 2.8739 2.8739 2.8784 2.8784 4.2047 4.2047 4.2159 4.2159 4.6178 4.6178 4.6230 4.6230 6.2935 6.2935 6.3411 6.3411 7.0141 7.0141 7.0481 7.0481 7.2835 7.2835 7.2867 7.2867 8.1221 8.1221 8.1232 8.1232 8.8438 8.8438 8.8661 8.8661 9.2737 9.2737 9.3019 9.3019 10.2616 10.2616 10.2853 10.2853 k = 0.0000 0.3810 0.0504 ( 2226 PWs) bands (ev): -7.5314 -7.5314 -7.5301 -7.5301 -3.9997 -3.9997 -3.9990 -3.9990 2.8652 2.8652 2.8708 2.8708 4.2057 4.2057 4.2195 4.2195 4.6214 4.6214 4.6278 4.6278 6.2860 6.2860 6.3447 6.3447 7.0134 7.0134 7.0543 7.0543 7.2904 7.2904 7.2937 7.2937 8.1219 8.1219 8.1232 8.1232 8.8058 8.8058 8.8293 8.8293 9.3141 9.3141 9.3450 9.3450 10.2572 10.2572 10.2869 10.2869 k = 0.0000 0.3810 0.0604 ( 2226 PWs) bands (ev): -7.5305 -7.5305 -7.5289 -7.5289 -4.0009 -4.0009 -4.0002 -4.0002 2.8549 2.8549 2.8616 2.8616 4.2072 4.2072 4.2236 4.2236 4.6256 4.6256 4.6332 4.6332 6.2783 6.2783 6.3476 6.3476 7.0135 7.0135 7.0604 7.0604 7.2993 7.2993 7.3021 7.3021 8.1218 8.1218 8.1233 8.1233 8.7678 8.7678 8.7922 8.7922 9.3546 9.3546 9.3880 9.3880 10.2536 10.2536 10.2893 10.2893 k = 0.0000 0.3810 0.0705 ( 2230 PWs) bands (ev): -7.5294 -7.5294 -7.5276 -7.5276 -4.0024 -4.0024 -4.0015 -4.0015 2.8432 2.8432 2.8510 2.8510 4.2091 4.2091 4.2281 4.2281 4.6306 4.6306 4.6392 4.6392 6.2706 6.2706 6.3499 6.3499 7.0145 7.0145 7.0664 7.0664 7.3099 7.3099 7.3119 7.3119 8.1216 8.1216 8.1232 8.1232 8.7305 8.7305 8.7555 8.7555 9.3936 9.3936 9.4293 9.4293 10.2516 10.2516 10.2930 10.2930 k = 0.0000 0.3810 0.0806 ( 2228 PWs) bands (ev): -7.5282 -7.5282 -7.5261 -7.5261 -4.0040 -4.0040 -4.0031 -4.0031 2.8304 2.8304 2.8391 2.8391 4.2113 4.2113 4.2328 4.2328 4.6363 4.6363 4.6459 4.6459 6.2628 6.2628 6.3516 6.3516 7.0162 7.0162 7.0721 7.0721 7.3224 7.3224 7.3232 7.3232 8.1215 8.1215 8.1231 8.1231 8.6940 8.6940 8.7197 8.7197 9.4302 9.4302 9.4678 9.4678 10.2522 10.2522 10.2992 10.2992 k = 0.0000 0.3810 0.0906 ( 2228 PWs) bands (ev): -7.5268 -7.5268 -7.5245 -7.5245 -4.0058 -4.0058 -4.0047 -4.0047 2.8164 2.8164 2.8261 2.8261 4.2139 4.2139 4.2377 4.2377 4.6424 4.6424 4.6530 4.6530 6.2550 6.2550 6.3527 6.3527 7.0187 7.0187 7.0775 7.0775 7.3358 7.3358 7.3368 7.3368 8.1215 8.1215 8.1230 8.1230 8.6587 8.6587 8.6850 8.6850 9.4631 9.4631 9.5022 9.5022 10.2563 10.2563 10.3083 10.3083 k = 0.0000 0.3810 0.1007 ( 2236 PWs) bands (ev): -7.5254 -7.5254 -7.5228 -7.5228 -4.0077 -4.0077 -4.0066 -4.0066 2.8015 2.8015 2.8121 2.8121 4.2167 4.2167 4.2429 4.2429 4.6490 4.6490 4.6604 4.6604 6.2471 6.2471 6.3531 6.3531 7.0216 7.0216 7.0825 7.0825 7.3500 7.3500 7.3529 7.3529 8.1216 8.1216 8.1230 8.1230 8.6245 8.6245 8.6514 8.6514 9.4913 9.4913 9.5312 9.5312 10.2649 10.2649 10.3211 10.3211 k = 0.0000 0.3810 0.1108 ( 2236 PWs) bands (ev): -7.5238 -7.5238 -7.5210 -7.5210 -4.0098 -4.0098 -4.0086 -4.0086 2.7860 2.7860 2.7974 2.7974 4.2198 4.2198 4.2481 4.2481 4.6560 4.6560 4.6682 4.6682 6.2394 6.2394 6.3530 6.3530 7.0251 7.0251 7.0872 7.0872 7.3656 7.3656 7.3707 7.3707 8.1218 8.1218 8.1230 8.1230 8.5918 8.5918 8.6193 8.6193 9.5140 9.5140 9.5538 9.5538 10.2791 10.2791 10.3385 10.3385 k = 0.0000 0.3810 0.1208 ( 2232 PWs) bands (ev): -7.5221 -7.5221 -7.5190 -7.5190 -4.0120 -4.0120 -4.0106 -4.0106 2.7700 2.7700 2.7822 2.7822 4.2230 4.2230 4.2535 4.2535 4.6632 4.6632 4.6761 4.6761 6.2318 6.2318 6.3524 6.3524 7.0290 7.0290 7.0916 7.0916 7.3826 7.3826 7.3901 7.3901 8.1222 8.1222 8.1231 8.1231 8.5605 8.5605 8.5885 8.5885 9.5306 9.5306 9.5691 9.5691 10.2996 10.2996 10.3610 10.3610 k = 0.0000 0.3810 0.1309 ( 2230 PWs) bands (ev): -7.5203 -7.5203 -7.5171 -7.5171 -4.0142 -4.0142 -4.0128 -4.0128 2.7537 2.7537 2.7666 2.7666 4.2264 4.2264 4.2589 4.2589 4.6706 4.6706 4.6841 4.6841 6.2244 6.2244 6.3514 6.3514 7.0331 7.0331 7.0956 7.0956 7.4010 7.4010 7.4109 7.4109 8.1227 8.1227 8.1232 8.1232 8.5306 8.5306 8.5592 8.5592 9.5408 9.5408 9.5768 9.5768 10.3264 10.3264 10.3885 10.3885 k = 0.0000 0.3810 0.1410 ( 2230 PWs) bands (ev): -7.5185 -7.5185 -7.5150 -7.5150 -4.0165 -4.0165 -4.0150 -4.0150 2.7372 2.7372 2.7508 2.7508 4.2298 4.2298 4.2643 4.2643 4.6780 4.6780 4.6921 4.6921 6.2170 6.2170 6.3499 6.3499 7.0374 7.0374 7.0994 7.0994 7.4207 7.4207 7.4329 7.4329 8.1233 8.1233 8.1235 8.1235 8.5022 8.5022 8.5313 8.5313 9.5447 9.5447 9.5773 9.5773 10.3592 10.3592 10.4211 10.4211 k = 0.0000 0.3810 0.1511 ( 2226 PWs) bands (ev): -7.5166 -7.5166 -7.5130 -7.5130 -4.0189 -4.0189 -4.0173 -4.0173 2.7208 2.7208 2.7350 2.7350 4.2334 4.2334 4.2697 4.2697 4.6855 4.6855 4.7000 4.7000 6.2098 6.2098 6.3481 6.3481 7.0418 7.0418 7.1029 7.1029 7.4415 7.4415 7.4559 7.4559 8.1238 8.1238 8.1242 8.1242 8.4752 8.4752 8.5048 8.5048 9.5427 9.5427 9.5712 9.5712 10.3972 10.3972 10.4580 10.4580 k = 0.0000 0.3810 0.1611 ( 2226 PWs) bands (ev): -7.5147 -7.5147 -7.5109 -7.5109 -4.0212 -4.0212 -4.0196 -4.0196 2.7045 2.7045 2.7193 2.7193 4.2369 4.2369 4.2749 4.2749 4.6928 4.6928 4.7078 4.7078 6.2029 6.2029 6.3459 6.3459 7.0462 7.0462 7.1063 7.1063 7.4634 7.4634 7.4797 7.4797 8.1243 8.1243 8.1253 8.1253 8.4497 8.4497 8.4797 8.4797 9.5354 9.5354 9.5593 9.5593 10.4395 10.4395 10.4986 10.4986 k = 0.0000 0.3810 0.1712 ( 2230 PWs) bands (ev): -7.5129 -7.5129 -7.5088 -7.5088 -4.0236 -4.0236 -4.0219 -4.0219 2.6885 2.6885 2.7039 2.7039 4.2403 4.2403 4.2799 4.2799 4.7000 4.7000 4.7153 4.7153 6.1961 6.1961 6.3436 6.3436 7.0504 7.0504 7.1093 7.1093 7.4860 7.4860 7.5041 7.5041 8.1250 8.1250 8.1266 8.1266 8.4257 8.4257 8.4560 8.4560 9.5237 9.5237 9.5428 9.5428 10.4847 10.4847 10.5419 10.5419 k = 0.0000 0.3810 0.1813 ( 2230 PWs) bands (ev): -7.5110 -7.5110 -7.5068 -7.5068 -4.0259 -4.0259 -4.0241 -4.0241 2.6731 2.6731 2.6889 2.6889 4.2437 4.2437 4.2848 4.2848 4.7069 4.7069 4.7225 4.7225 6.1895 6.1895 6.3410 6.3410 7.0546 7.0546 7.1123 7.1123 7.5093 7.5093 7.5289 7.5289 8.1259 8.1259 8.1281 8.1281 8.4031 8.4031 8.4337 8.4337 9.5084 9.5084 9.5227 9.5227 10.5319 10.5319 10.5872 10.5872 k = 0.0000 0.3810 0.1913 ( 2230 PWs) bands (ev): -7.5092 -7.5092 -7.5048 -7.5048 -4.0281 -4.0281 -4.0263 -4.0263 2.6582 2.6582 2.6745 2.6745 4.2469 4.2469 4.2895 4.2895 4.7135 4.7135 4.7294 4.7294 6.1833 6.1833 6.3383 6.3383 7.0586 7.0586 7.1151 7.1151 7.5330 7.5330 7.5537 7.5537 8.1270 8.1270 8.1298 8.1298 8.3820 8.3820 8.4129 8.4129 9.4902 9.4902 9.5000 9.5000 10.5800 10.5800 10.6333 10.6333 k = 0.0000 0.3810 0.2014 ( 2228 PWs) bands (ev): -7.5075 -7.5075 -7.5029 -7.5029 -4.0303 -4.0303 -4.0284 -4.0284 2.6441 2.6441 2.6608 2.6608 4.2501 4.2501 4.2939 4.2939 4.7198 4.7198 4.7359 4.7359 6.1773 6.1773 6.3356 6.3356 7.0624 7.0624 7.1177 7.1177 7.5567 7.5567 7.5784 7.5784 8.1284 8.1284 8.1318 8.1318 8.3625 8.3625 8.3935 8.3935 9.4702 9.4702 9.4755 9.4755 10.6279 10.6279 10.6794 10.6794 k = 0.0000 0.3810 0.2115 ( 2234 PWs) bands (ev): -7.5058 -7.5058 -7.5011 -7.5011 -4.0324 -4.0324 -4.0304 -4.0304 2.6308 2.6308 2.6479 2.6479 4.2529 4.2529 4.2980 4.2980 4.7257 4.7257 4.7420 4.7420 6.1716 6.1716 6.3328 6.3328 7.0660 7.0660 7.1201 7.1201 7.5802 7.5802 7.6026 7.6026 8.1300 8.1300 8.1340 8.1340 8.3443 8.3443 8.3755 8.3755 9.4488 9.4488 9.4499 9.4499 10.6748 10.6748 10.7246 10.7246 k = 0.0000 0.3810 0.2215 ( 2234 PWs) bands (ev): -7.5042 -7.5042 -7.4994 -7.4994 -4.0343 -4.0343 -4.0323 -4.0323 2.6185 2.6185 2.6359 2.6359 4.2557 4.2557 4.3018 4.3018 4.7312 4.7312 4.7476 4.7476 6.1664 6.1664 6.3301 6.3301 7.0693 7.0693 7.1224 7.1224 7.6032 7.6032 7.6261 7.6261 8.1318 8.1318 8.1364 8.1364 8.3275 8.3275 8.3589 8.3589 9.4242 9.4242 9.4269 9.4269 10.7198 10.7198 10.7682 10.7682 k = 0.0000 0.3810 0.2316 ( 2232 PWs) bands (ev): -7.5028 -7.5028 -7.4978 -7.4978 -4.0361 -4.0361 -4.0341 -4.0341 2.6073 2.6073 2.6250 2.6250 4.2582 4.2582 4.3053 4.3053 4.7362 4.7362 4.7527 4.7527 6.1616 6.1616 6.3276 6.3276 7.0722 7.0722 7.1245 7.1245 7.6252 7.6252 7.6484 7.6484 8.1340 8.1340 8.1389 8.1389 8.3122 8.3122 8.3437 8.3437 9.3990 9.3990 9.4052 9.4052 10.7623 10.7623 10.8094 10.8094 k = 0.0000 0.3810 0.2417 ( 2240 PWs) bands (ev): -7.5014 -7.5014 -7.4964 -7.4964 -4.0377 -4.0377 -4.0357 -4.0357 2.5970 2.5970 2.6150 2.6150 4.2605 4.2605 4.3085 4.3085 4.7406 4.7406 4.7572 4.7572 6.1572 6.1572 6.3251 6.3251 7.0749 7.0749 7.1263 7.1263 7.6458 7.6458 7.6692 7.6692 8.1362 8.1362 8.1415 8.1415 8.2982 8.2982 8.3300 8.3300 9.3748 9.3748 9.3841 9.3841 10.8015 10.8015 10.8475 10.8475 k = 0.0000 0.3810 0.2518 ( 2242 PWs) bands (ev): -7.5003 -7.5003 -7.4952 -7.4952 -4.0392 -4.0392 -4.0371 -4.0371 2.5880 2.5880 2.6062 2.6062 4.2625 4.2625 4.3112 4.3112 4.7446 4.7446 4.7612 4.7612 6.1533 6.1533 6.3229 6.3229 7.0773 7.0773 7.1280 7.1280 7.6648 7.6648 7.6882 7.6882 8.1386 8.1386 8.1441 8.1441 8.2858 8.2858 8.3177 8.3177 9.3524 9.3524 9.3645 9.3645 10.8369 10.8369 10.8820 10.8820 k = 0.0000 0.3810 0.2618 ( 2242 PWs) bands (ev): -7.4992 -7.4992 -7.4941 -7.4941 -4.0404 -4.0404 -4.0384 -4.0384 2.5804 2.5804 2.5988 2.5988 4.2643 4.2643 4.3136 4.3136 4.7480 4.7480 4.7647 4.7647 6.1500 6.1500 6.3209 6.3209 7.0794 7.0794 7.1295 7.1295 7.6816 7.6816 7.7050 7.7050 8.1412 8.1412 8.1467 8.1467 8.2749 8.2749 8.3071 8.3071 9.3323 9.3323 9.3468 9.3468 10.8677 10.8677 10.9121 10.9121 k = 0.0000 0.3810 0.2719 ( 2238 PWs) bands (ev): -7.4984 -7.4984 -7.4931 -7.4931 -4.0415 -4.0415 -4.0394 -4.0394 2.5741 2.5741 2.5926 2.5926 4.2657 4.2657 4.3156 4.3156 4.7508 4.7508 4.7675 4.7675 6.1472 6.1472 6.3193 6.3193 7.0811 7.0811 7.1307 7.1307 7.6961 7.6961 7.7194 7.7194 8.1437 8.1437 8.1491 8.1491 8.2657 8.2657 8.2983 8.2983 9.3151 9.3151 9.3316 9.3316 10.8937 10.8937 10.9376 10.9376 k = 0.0000 0.3810 0.2820 ( 2230 PWs) bands (ev): -7.4977 -7.4977 -7.4924 -7.4924 -4.0423 -4.0423 -4.0402 -4.0402 2.5691 2.5691 2.5878 2.5878 4.2669 4.2669 4.3172 4.3172 4.7530 4.7530 4.7697 4.7697 6.1450 6.1450 6.3180 6.3180 7.0824 7.0824 7.1317 7.1317 7.7078 7.7078 7.7310 7.7310 8.1460 8.1460 8.1513 8.1513 8.2583 8.2583 8.2912 8.2912 9.3012 9.3012 9.3193 9.3193 10.9144 10.9144 10.9578 10.9578 k = 0.0000 0.3810 0.2920 ( 2234 PWs) bands (ev): -7.4972 -7.4972 -7.4919 -7.4919 -4.0429 -4.0429 -4.0408 -4.0408 2.5655 2.5655 2.5842 2.5842 4.2677 4.2677 4.3183 4.3183 4.7546 4.7546 4.7713 4.7713 6.1434 6.1434 6.3170 6.3170 7.0834 7.0834 7.1324 7.1324 7.7162 7.7162 7.7393 7.7393 8.1479 8.1479 8.1529 8.1529 8.2527 8.2527 8.2860 8.2860 9.2909 9.2909 9.3102 9.3102 10.9293 10.9293 10.9724 10.9724 k = 0.0000 0.3810 0.3021 ( 2240 PWs) bands (ev): -7.4969 -7.4969 -7.4916 -7.4916 -4.0433 -4.0433 -4.0411 -4.0411 2.5633 2.5633 2.5821 2.5821 4.2682 4.2682 4.3189 4.3189 4.7555 4.7555 4.7723 4.7723 6.1424 6.1424 6.3163 6.3163 7.0838 7.0838 7.1327 7.1327 7.7214 7.7214 7.7444 7.7444 8.1490 8.1490 8.1539 8.1539 8.2493 8.2493 8.2828 8.2828 9.2846 9.2846 9.3046 9.3046 10.9384 10.9384 10.9813 10.9813 k = 0.0000 0.3810 0.3122 ( 2240 PWs) bands (ev): -7.4968 -7.4968 -7.4915 -7.4915 -4.0434 -4.0434 -4.0413 -4.0413 2.5626 2.5626 2.5814 2.5814 4.2683 4.2683 4.3191 4.3191 4.7558 4.7558 4.7726 4.7726 6.1421 6.1421 6.3161 6.3161 7.0840 7.0840 7.1329 7.1329 7.7231 7.7231 7.7462 7.7462 8.1495 8.1495 8.1543 8.1543 8.2482 8.2482 8.2817 8.2817 9.2825 9.2825 9.3027 9.3027 10.9414 10.9414 10.9842 10.9842 k = 0.5000-0.0000 0.3122 ( 2236 PWs) bands (ev): -7.7787 -7.7787 -7.7783 -7.7783 -2.7208 -2.7208 -2.6901 -2.6901 1.3679 1.3679 1.3942 1.3942 4.4537 4.4537 4.5031 4.5031 4.6787 4.6787 4.7552 4.7552 5.5380 5.5380 5.7467 5.7467 6.2531 6.2531 6.2728 6.2728 6.8227 6.8227 6.8956 6.8956 7.4095 7.4095 7.4532 7.4532 10.0011 10.0011 10.0522 10.0522 11.0407 11.0407 11.0776 11.0776 13.3816 13.3816 13.3901 13.3901 k = 0.5000-0.0000 0.3021 ( 2236 PWs) bands (ev): -7.7786 -7.7786 -7.7783 -7.7783 -2.7209 -2.7209 -2.6903 -2.6903 1.3681 1.3681 1.3944 1.3944 4.4531 4.4531 4.5025 4.5025 4.6785 4.6785 4.7548 4.7548 5.5370 5.5370 5.7459 5.7459 6.2514 6.2514 6.2687 6.2687 6.8291 6.8291 6.8995 6.8995 7.4108 7.4108 7.4549 7.4549 10.0016 10.0016 10.0526 10.0526 11.0404 11.0404 11.0773 11.0773 13.3804 13.3804 13.3889 13.3889 k = 0.5000-0.0000 0.2920 ( 2236 PWs) bands (ev): -7.7786 -7.7786 -7.7783 -7.7783 -2.7211 -2.7211 -2.6906 -2.6906 1.3689 1.3689 1.3950 1.3950 4.4513 4.4513 4.5006 4.5006 4.6778 4.6778 4.7537 4.7537 5.5341 5.5341 5.7434 5.7434 6.2464 6.2464 6.2570 6.2570 6.8474 6.8474 6.9109 6.9109 7.4146 7.4146 7.4600 7.4600 10.0028 10.0028 10.0539 10.0539 11.0396 11.0396 11.0765 11.0765 13.3770 13.3770 13.3855 13.3855 k = 0.5000-0.0000 0.2820 ( 2232 PWs) bands (ev): -7.7786 -7.7786 -7.7783 -7.7783 -2.7215 -2.7215 -2.6912 -2.6912 1.3701 1.3701 1.3961 1.3961 4.4484 4.4484 4.4974 4.4974 4.6767 4.6767 4.7519 4.7519 5.5293 5.5293 5.7392 5.7392 6.2387 6.2387 6.2396 6.2396 6.8760 6.8760 6.9293 6.9293 7.4213 7.4213 7.4686 7.4686 10.0050 10.0050 10.0562 10.0562 11.0381 11.0381 11.0752 11.0752 13.3714 13.3714 13.3797 13.3797 k = 0.5000-0.0000 0.2719 ( 2230 PWs) bands (ev): -7.7786 -7.7786 -7.7783 -7.7783 -2.7221 -2.7221 -2.6921 -2.6921 1.3718 1.3718 1.3976 1.3976 4.4444 4.4444 4.4929 4.4929 4.6751 4.6751 4.7494 4.7494 5.5227 5.5227 5.7332 5.7332 6.2185 6.2185 6.2290 6.2290 6.9127 6.9127 6.9537 6.9537 7.4305 7.4305 7.4805 7.4805 10.0080 10.0080 10.0593 10.0593 11.0361 11.0361 11.0733 11.0733 13.3636 13.3636 13.3717 13.3717 k = 0.5000-0.0000 0.2618 ( 2234 PWs) bands (ev): -7.7786 -7.7786 -7.7783 -7.7783 -2.7228 -2.7228 -2.6932 -2.6932 1.3740 1.3740 1.3995 1.3995 4.4393 4.4393 4.4873 4.4873 4.6731 4.6731 4.7463 4.7463 5.5145 5.5145 5.7252 5.7252 6.1956 6.1956 6.2179 6.2179 6.9553 6.9553 6.9829 6.9829 7.4423 7.4423 7.4957 7.4957 10.0120 10.0120 10.0633 10.0633 11.0333 11.0333 11.0706 11.0706 13.3535 13.3535 13.3615 13.3615 k = 0.5000-0.0000 0.2518 ( 2230 PWs) bands (ev): -7.7785 -7.7785 -7.7782 -7.7782 -2.7237 -2.7237 -2.6945 -2.6945 1.3766 1.3766 1.4018 1.4018 4.4332 4.4332 4.4805 4.4805 4.6707 4.6707 4.7426 4.7426 5.5047 5.5047 5.7152 5.7152 6.1728 6.1728 6.2062 6.2062 7.0020 7.0020 7.0160 7.0160 7.4572 7.4572 7.5146 7.5146 10.0168 10.0168 10.0683 10.0683 11.0300 11.0300 11.0676 11.0676 13.3413 13.3413 13.3491 13.3491 k = 0.5000-0.0000 0.2417 ( 2230 PWs) bands (ev): -7.7785 -7.7785 -7.7782 -7.7782 -2.7246 -2.7246 -2.6960 -2.6960 1.3796 1.3796 1.4044 1.4044 4.4260 4.4260 4.4724 4.4724 4.6680 4.6680 4.7384 4.7384 5.4936 5.4936 5.7030 5.7030 6.1510 6.1510 6.1945 6.1945 7.0513 7.0513 7.0520 7.0520 7.4751 7.4751 7.5368 7.5368 10.0226 10.0226 10.0742 10.0742 11.0261 11.0261 11.0639 11.0639 13.3270 13.3270 13.3345 13.3345 k = 0.5000-0.0000 0.2316 ( 2230 PWs) bands (ev): -7.7785 -7.7785 -7.7781 -7.7781 -2.7257 -2.7257 -2.6977 -2.6977 1.3830 1.3830 1.4073 1.4073 4.4181 4.4181 4.4634 4.4634 4.6648 4.6648 4.7336 4.7336 5.4814 5.4814 5.6887 5.6887 6.1311 6.1311 6.1831 6.1831 7.0898 7.0898 7.1019 7.1019 7.4962 7.4962 7.5625 7.5625 10.0294 10.0294 10.0811 10.0811 11.0215 11.0215 11.0596 11.0596 13.3108 13.3108 13.3179 13.3179 k = 0.5000-0.0000 0.2215 ( 2234 PWs) bands (ev): -7.7784 -7.7784 -7.7781 -7.7781 -2.7270 -2.7270 -2.6996 -2.6996 1.3867 1.3867 1.4105 1.4105 4.4092 4.4092 4.4534 4.4534 4.6615 4.6615 4.7285 4.7285 5.4682 5.4682 5.6723 5.6723 6.1135 6.1135 6.1724 6.1724 7.1288 7.1288 7.1527 7.1527 7.5209 7.5209 7.5915 7.5915 10.0372 10.0372 10.0890 10.0890 11.0162 11.0162 11.0546 11.0546 13.2925 13.2925 13.2992 13.2992 k = 0.5000-0.0000 0.2115 ( 2234 PWs) bands (ev): -7.7784 -7.7784 -7.7781 -7.7781 -2.7282 -2.7282 -2.7016 -2.7016 1.3908 1.3908 1.4140 1.4140 4.3997 4.3997 4.4424 4.4424 4.6578 4.6578 4.7230 4.7230 5.4544 5.4544 5.6542 5.6542 6.0985 6.0985 6.1625 6.1625 7.1682 7.1682 7.2025 7.2025 7.5493 7.5493 7.6239 7.6239 10.0460 10.0460 10.0981 10.0981 11.0102 11.0102 11.0489 11.0489 13.2724 13.2724 13.2786 13.2786 k = 0.5000-0.0000 0.2014 ( 2234 PWs) bands (ev): -7.7783 -7.7783 -7.7780 -7.7780 -2.7296 -2.7296 -2.7038 -2.7038 1.3951 1.3951 1.4177 1.4177 4.3895 4.3895 4.4306 4.4306 4.6541 4.6541 4.7173 4.7173 5.4403 5.4403 5.6346 5.6346 6.0861 6.0861 6.1534 6.1534 7.2076 7.2076 7.2506 7.2506 7.5818 7.5818 7.6593 7.6593 10.0560 10.0560 10.1082 10.1082 11.0034 11.0034 11.0425 11.0425 13.2505 13.2505 13.2561 13.2561 k = 0.5000-0.0000 0.1913 ( 2232 PWs) bands (ev): -7.7783 -7.7783 -7.7780 -7.7780 -2.7310 -2.7310 -2.7061 -2.7061 1.3997 1.3997 1.4216 1.4216 4.3788 4.3788 4.4182 4.4182 4.6502 4.6502 4.7114 4.7114 5.4259 5.4259 5.6138 5.6138 6.0760 6.0760 6.1453 6.1453 7.2466 7.2466 7.2962 7.2962 7.6183 7.6183 7.6974 7.6974 10.0672 10.0672 10.1195 10.1195 10.9959 10.9959 11.0354 11.0354 13.2270 13.2270 13.2318 13.2318 k = 0.5000-0.0000 0.1813 ( 2232 PWs) bands (ev): -7.7782 -7.7782 -7.7779 -7.7779 -2.7325 -2.7325 -2.7084 -2.7084 1.4044 1.4044 1.4255 1.4255 4.3676 4.3676 4.4052 4.4052 4.6462 4.6462 4.7054 4.7054 5.4117 5.4117 5.5923 5.5923 6.0680 6.0680 6.1379 6.1379 7.2848 7.2848 7.3388 7.3388 7.6587 7.6587 7.7379 7.7379 10.0796 10.0796 10.1320 10.1320 10.9875 10.9875 11.0275 11.0275 13.2018 13.2018 13.2057 13.2057 k = 0.5000-0.0000 0.1712 ( 2228 PWs) bands (ev): -7.7782 -7.7782 -7.7779 -7.7779 -2.7340 -2.7340 -2.7109 -2.7109 1.4094 1.4094 1.4297 1.4297 4.3562 4.3562 4.3917 4.3917 4.6423 4.6423 4.6993 4.6993 5.3979 5.3979 5.5705 5.5705 6.0619 6.0619 6.1313 6.1313 7.3220 7.3220 7.3784 7.3784 7.7025 7.7025 7.7803 7.7803 10.0933 10.0933 10.1458 10.1458 10.9782 10.9782 11.0186 11.0186 13.1750 13.1750 13.1779 13.1779 k = 0.5000-0.0000 0.1611 ( 2224 PWs) bands (ev): -7.7781 -7.7781 -7.7778 -7.7778 -2.7354 -2.7354 -2.7134 -2.7134 1.4145 1.4145 1.4339 1.4339 4.3445 4.3445 4.3779 4.3779 4.6385 4.6385 4.6932 4.6932 5.3846 5.3846 5.5487 5.5487 6.0574 6.0574 6.1254 6.1254 7.3580 7.3580 7.4149 7.4149 7.7490 7.7490 7.8240 7.8240 10.1083 10.1083 10.1608 10.1608 10.9680 10.9680 11.0090 11.0090 13.1468 13.1468 13.1484 13.1484 k = 0.5000-0.0000 0.1511 ( 2220 PWs) bands (ev): -7.7780 -7.7780 -7.7778 -7.7778 -2.7369 -2.7369 -2.7160 -2.7160 1.4196 1.4196 1.4381 1.4381 4.3327 4.3327 4.3640 4.3640 4.6348 4.6348 4.6871 4.6871 5.3719 5.3719 5.5271 5.5271 6.0541 6.0541 6.1200 6.1200 7.3928 7.3928 7.4486 7.4486 7.7975 7.7975 7.8686 7.8686 10.1246 10.1246 10.1771 10.1771 10.9568 10.9568 10.9982 10.9982 13.1171 13.1171 13.1174 13.1174 k = 0.5000-0.0000 0.1410 ( 2220 PWs) bands (ev): -7.7780 -7.7780 -7.7777 -7.7777 -2.7383 -2.7383 -2.7186 -2.7186 1.4247 1.4247 1.4422 1.4422 4.3210 4.3210 4.3501 4.3501 4.6313 4.6313 4.6811 4.6811 5.3601 5.3601 5.5060 5.5060 6.0518 6.0518 6.1150 6.1150 7.4263 7.4263 7.4799 7.4799 7.8470 7.8470 7.9134 7.9134 10.1422 10.1422 10.1947 10.1947 10.9446 10.9446 10.9865 10.9865 13.0848 13.0848 13.0862 13.0862 k = 0.5000-0.0000 0.1309 ( 2224 PWs) bands (ev): -7.7779 -7.7779 -7.7777 -7.7777 -2.7396 -2.7396 -2.7211 -2.7211 1.4297 1.4297 1.4462 1.4462 4.3094 4.3094 4.3362 4.3362 4.6281 4.6281 4.6752 4.6752 5.3491 5.3491 5.4854 5.4854 6.0505 6.0505 6.1105 6.1105 7.4583 7.4583 7.5088 7.5088 7.8966 7.8966 7.9579 7.9579 10.1612 10.1612 10.2135 10.2135 10.9313 10.9313 10.9736 10.9736 13.0509 13.0509 13.0540 13.0540 k = 0.5000-0.0000 0.1208 ( 2228 PWs) bands (ev): -7.7779 -7.7779 -7.7776 -7.7776 -2.7409 -2.7409 -2.7236 -2.7236 1.4346 1.4346 1.4500 1.4500 4.2981 4.2981 4.3226 4.3226 4.6252 4.6252 4.6695 4.6695 5.3391 5.3391 5.4656 5.4656 6.0498 6.0498 6.1063 6.1063 7.4888 7.4888 7.5358 7.5358 7.9456 7.9456 8.0016 8.0016 10.1816 10.1816 10.2336 10.2336 10.9168 10.9168 10.9596 10.9596 13.0159 13.0159 13.0207 13.0207 k = 0.5000-0.0000 0.1108 ( 2224 PWs) bands (ev): -7.7778 -7.7778 -7.7776 -7.7776 -2.7421 -2.7421 -2.7261 -2.7261 1.4394 1.4394 1.4537 1.4537 4.2872 4.2872 4.3095 4.3095 4.6226 4.6226 4.6640 4.6640 5.3302 5.3302 5.4469 5.4469 6.0498 6.0498 6.1024 6.1024 7.5177 7.5177 7.5608 7.5608 7.9933 7.9933 8.0438 8.0438 10.2034 10.2034 10.2550 10.2550 10.9013 10.9013 10.9444 10.9444 12.9803 12.9803 12.9867 12.9867 k = 0.5000-0.0000 0.1007 ( 2228 PWs) bands (ev): -7.7778 -7.7778 -7.7775 -7.7775 -2.7431 -2.7431 -2.7285 -2.7285 1.4440 1.4440 1.4572 1.4572 4.2768 4.2768 4.2969 4.2969 4.6204 4.6204 4.6587 4.6587 5.3225 5.3225 5.4290 5.4290 6.0502 6.0502 6.0987 6.0987 7.5448 7.5448 7.5839 7.5839 8.0389 8.0389 8.0841 8.0841 10.2264 10.2264 10.2775 10.2775 10.8847 10.8847 10.9280 10.9280 12.9445 12.9445 12.9523 12.9523 k = 0.5000-0.0000 0.0906 ( 2218 PWs) bands (ev): -7.7777 -7.7777 -7.7775 -7.7775 -2.7441 -2.7441 -2.7308 -2.7308 1.4485 1.4485 1.4604 1.4604 4.2672 4.2672 4.2851 4.2851 4.6187 4.6187 4.6537 4.6537 5.3160 5.3160 5.4122 5.4122 6.0511 6.0511 6.0952 6.0952 7.5702 7.5702 7.6051 7.6051 8.0821 8.0821 8.1221 8.1221 10.2506 10.2506 10.3009 10.3009 10.8672 10.8672 10.9105 10.9105 12.9092 12.9092 12.9180 12.9180 k = 0.5000-0.0000 0.0806 ( 2220 PWs) bands (ev): -7.7777 -7.7777 -7.7774 -7.7774 -2.7449 -2.7449 -2.7330 -2.7330 1.4526 1.4526 1.4634 1.4634 4.2582 4.2582 4.2740 4.2740 4.6173 4.6173 4.6489 4.6489 5.3105 5.3105 5.3964 5.3964 6.0522 6.0522 6.0918 6.0918 7.5935 7.5935 7.6242 7.6242 8.1221 8.1221 8.1570 8.1570 10.2758 10.2758 10.3250 10.3250 10.8488 10.8488 10.8917 10.8917 12.8752 12.8752 12.8845 12.8845 k = 0.5000-0.0000 0.0705 ( 2224 PWs) bands (ev): -7.7776 -7.7776 -7.7774 -7.7774 -2.7455 -2.7455 -2.7351 -2.7351 1.4564 1.4564 1.4659 1.4659 4.2501 4.2501 4.2638 4.2638 4.6163 4.6163 4.6443 4.6443 5.3064 5.3064 5.3818 5.3818 6.0536 6.0536 6.0885 6.0885 7.6146 7.6146 7.6413 7.6413 8.1587 8.1587 8.1886 8.1886 10.3017 10.3017 10.3493 10.3493 10.8297 10.8297 10.8719 10.8719 12.8431 12.8431 12.8525 12.8525 k = 0.5000-0.0000 0.0604 ( 2218 PWs) bands (ev): -7.7776 -7.7776 -7.7774 -7.7774 -2.7460 -2.7460 -2.7370 -2.7370 1.4600 1.4600 1.4682 1.4682 4.2431 4.2431 4.2547 4.2547 4.6158 4.6158 4.6402 4.6402 5.3036 5.3036 5.3684 5.3684 6.0553 6.0553 6.0854 6.0854 7.6334 7.6334 7.6561 7.6561 8.1914 8.1914 8.2167 8.2167 10.3281 10.3281 10.3735 10.3735 10.8105 10.8105 10.8514 10.8514 12.8138 12.8138 12.8228 12.8228 k = 0.5000-0.0000 0.0504 ( 2222 PWs) bands (ev): -7.7776 -7.7776 -7.7773 -7.7773 -2.7463 -2.7463 -2.7388 -2.7388 1.4631 1.4631 1.4700 1.4700 4.2371 4.2371 4.2467 4.2467 4.6157 4.6157 4.6362 4.6362 5.3020 5.3020 5.3562 5.3562 6.0571 6.0571 6.0823 6.0823 7.6499 7.6499 7.6686 7.6686 8.2199 8.2199 8.2407 8.2407 10.3542 10.3542 10.3965 10.3965 10.7919 10.7919 10.8304 10.8304 12.7879 12.7879 12.7960 12.7960 k = 0.5000-0.0000 0.0403 ( 2218 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7464 -2.7464 -2.7404 -2.7404 1.4658 1.4658 1.4714 1.4714 4.2323 4.2323 4.2399 4.2399 4.6160 4.6160 4.6326 4.6326 5.3018 5.3018 5.3452 5.3452 6.0591 6.0591 6.0794 6.0794 7.6639 7.6639 7.6788 7.6788 8.2440 8.2440 8.2604 8.2604 10.3795 10.3795 10.4175 10.4175 10.7747 10.7747 10.8096 10.8096 12.7661 12.7661 12.7729 12.7729 k = 0.5000-0.0000 0.0302 ( 2222 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7464 -2.7464 -2.7418 -2.7418 1.4681 1.4681 1.4723 1.4723 4.2285 4.2285 4.2342 4.2342 4.6168 4.6168 4.6293 4.6293 5.3027 5.3027 5.3353 5.3353 6.0613 6.0613 6.0765 6.0765 7.6752 7.6752 7.6863 7.6863 8.2633 8.2633 8.2755 8.2755 10.4031 10.4031 10.4349 10.4349 10.7601 10.7601 10.7897 10.7897 12.7488 12.7488 12.7542 12.7542 k = 0.5000-0.0000 0.0201 ( 2226 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7461 -2.7461 -2.7431 -2.7431 1.4700 1.4700 1.4728 1.4728 4.2261 4.2261 4.2299 4.2299 4.6179 4.6179 4.6263 4.6263 5.3050 5.3050 5.3268 5.3268 6.0636 6.0636 6.0738 6.0738 7.6838 7.6838 7.6912 7.6912 8.2778 8.2778 8.2858 8.2858 10.4237 10.4237 10.4471 10.4471 10.7500 10.7500 10.7719 10.7719 12.7364 12.7364 12.7401 12.7401 k = 0.5000-0.0000 0.0101 ( 2232 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7457 -2.7457 -2.7441 -2.7441 1.4714 1.4714 1.4728 1.4728 4.2250 4.2250 4.2269 4.2269 4.6194 4.6194 4.6236 4.6236 5.3085 5.3085 5.3194 5.3194 6.0660 6.0660 6.0711 6.0711 7.6897 7.6897 7.6934 7.6934 8.2872 8.2872 8.2912 8.2912 10.4399 10.4399 10.4524 10.4524 10.7458 10.7458 10.7575 10.7575 12.7293 12.7293 12.7311 12.7311 k = 0.5000-0.0000-0.0000 ( 2228 PWs) bands (ev): -7.7775 -7.7775 -7.7773 -7.7773 -2.7451 -2.7451 -2.7449 -2.7449 1.4722 1.4722 1.4725 1.4725 4.2252 4.2252 4.2254 4.2254 4.6212 4.6212 4.6214 4.6214 5.3133 5.3133 5.3134 5.3134 6.0683 6.0683 6.0686 6.0686 7.6929 7.6929 7.6931 7.6931 8.2917 8.2917 8.2918 8.2918 10.4498 10.4498 10.4500 10.4500 10.7484 10.7484 10.7486 10.7486 12.7275 12.7275 12.7275 12.7275 k = 0.5000 0.3810-0.0000 ( 2228 PWs) bands (ev): -6.5408 -6.5408 -6.5405 -6.5405 -4.6416 -4.6416 -4.6413 -4.6413 1.4298 1.4298 1.4300 1.4300 3.2561 3.2561 3.2562 3.2562 4.5995 4.5995 4.5997 4.5997 6.3274 6.3274 6.3276 6.3276 6.9486 6.9486 6.9488 6.9488 7.7595 7.7595 7.7597 7.7597 8.1966 8.1966 8.1967 8.1967 10.2591 10.2591 10.2593 10.2593 10.4730 10.4730 10.4732 10.4732 11.9651 11.9651 11.9654 11.9654 k = 0.5000 0.3810 0.0101 ( 2232 PWs) bands (ev): -6.5408 -6.5408 -6.5406 -6.5406 -4.6415 -4.6415 -4.6412 -4.6412 1.4300 1.4300 1.4302 1.4302 3.2555 3.2555 3.2557 3.2557 4.6007 4.6007 4.6009 4.6009 6.3271 6.3271 6.3274 6.3274 6.9482 6.9482 6.9483 6.9483 7.7518 7.7518 7.7520 7.7520 8.2022 8.2022 8.2023 8.2023 10.2586 10.2586 10.2587 10.2587 10.4752 10.4752 10.4754 10.4754 11.9652 11.9652 11.9655 11.9655 k = 0.5000 0.3810 0.0201 ( 2236 PWs) bands (ev): -6.5408 -6.5408 -6.5406 -6.5406 -4.6413 -4.6413 -4.6410 -4.6410 1.4306 1.4306 1.4309 1.4309 3.2539 3.2539 3.2541 3.2541 4.6044 4.6044 4.6046 4.6046 6.3263 6.3263 6.3266 6.3266 6.9468 6.9468 6.9470 6.9470 7.7301 7.7301 7.7303 7.7303 8.2178 8.2178 8.2180 8.2180 10.2568 10.2568 10.2570 10.2570 10.4820 10.4820 10.4823 10.4823 11.9657 11.9657 11.9659 11.9659 k = 0.5000 0.3810 0.0302 ( 2236 PWs) bands (ev): -6.5409 -6.5409 -6.5407 -6.5407 -4.6409 -4.6409 -4.6407 -4.6407 1.4317 1.4317 1.4319 1.4319 3.2513 3.2513 3.2515 3.2515 4.6105 4.6105 4.6107 4.6107 6.3251 6.3251 6.3254 6.3254 6.9447 6.9447 6.9448 6.9448 7.6973 7.6973 7.6974 7.6974 8.2408 8.2408 8.2409 8.2409 10.2533 10.2533 10.2535 10.2535 10.4939 10.4939 10.4941 10.4941 11.9665 11.9665 11.9667 11.9667 k = 0.5000 0.3810 0.0403 ( 2240 PWs) bands (ev): -6.5410 -6.5410 -6.5408 -6.5408 -4.6404 -4.6404 -4.6402 -4.6402 1.4331 1.4331 1.4333 1.4333 3.2477 3.2477 3.2479 3.2479 4.6190 4.6190 4.6192 4.6192 6.3234 6.3234 6.3236 6.3236 6.9416 6.9416 6.9417 6.9417 7.6564 7.6564 7.6565 7.6565 8.2680 8.2680 8.2680 8.2680 10.2477 10.2477 10.2479 10.2479 10.5111 10.5111 10.5113 10.5113 11.9676 11.9676 11.9678 11.9678 k = 0.5000 0.3810 0.0504 ( 2240 PWs) bands (ev): -6.5412 -6.5412 -6.5409 -6.5409 -4.6398 -4.6398 -4.6395 -4.6395 1.4350 1.4350 1.4352 1.4352 3.2432 3.2432 3.2434 3.2434 4.6297 4.6297 4.6299 4.6299 6.3211 6.3211 6.3214 6.3214 6.9375 6.9375 6.9377 6.9377 7.6101 7.6101 7.6103 7.6103 8.2972 8.2972 8.2973 8.2973 10.2396 10.2396 10.2398 10.2398 10.5340 10.5340 10.5342 10.5342 11.9689 11.9689 11.9692 11.9692 k = 0.5000 0.3810 0.0604 ( 2240 PWs) bands (ev): -6.5413 -6.5413 -6.5411 -6.5411 -4.6390 -4.6390 -4.6388 -4.6388 1.4372 1.4372 1.4374 1.4374 3.2379 3.2379 3.2381 3.2381 4.6425 4.6425 4.6427 4.6427 6.3183 6.3183 6.3185 6.3185 6.9325 6.9325 6.9327 6.9327 7.5606 7.5606 7.5607 7.5607 8.3270 8.3270 8.3270 8.3270 10.2287 10.2287 10.2289 10.2289 10.5625 10.5625 10.5627 10.5627 11.9705 11.9705 11.9707 11.9707 k = 0.5000 0.3810 0.0705 ( 2240 PWs) bands (ev): -6.5415 -6.5415 -6.5413 -6.5413 -4.6381 -4.6381 -4.6379 -4.6379 1.4398 1.4398 1.4400 1.4400 3.2319 3.2319 3.2321 3.2321 4.6574 4.6574 4.6576 4.6576 6.3149 6.3149 6.3152 6.3152 6.9264 6.9264 6.9266 6.9266 7.5089 7.5089 7.5091 7.5091 8.3561 8.3561 8.3561 8.3561 10.2152 10.2152 10.2154 10.2154 10.5963 10.5963 10.5965 10.5965 11.9722 11.9722 11.9725 11.9725 k = 0.5000 0.3810 0.0806 ( 2252 PWs) bands (ev): -6.5417 -6.5417 -6.5415 -6.5415 -4.6372 -4.6372 -4.6369 -4.6369 1.4427 1.4427 1.4429 1.4429 3.2250 3.2250 3.2252 3.2252 4.6740 4.6740 4.6742 4.6742 6.3109 6.3109 6.3112 6.3112 6.9192 6.9192 6.9194 6.9194 7.4564 7.4564 7.4565 7.4565 8.3840 8.3840 8.3840 8.3840 10.1990 10.1990 10.1992 10.1992 10.6350 10.6350 10.6352 10.6352 11.9741 11.9741 11.9743 11.9743 k = 0.5000 0.3810 0.0906 ( 2244 PWs) bands (ev): -6.5420 -6.5420 -6.5418 -6.5418 -4.6361 -4.6361 -4.6358 -4.6358 1.4459 1.4459 1.4462 1.4462 3.2178 3.2178 3.2180 3.2180 4.6924 4.6924 4.6926 4.6926 6.3063 6.3063 6.3066 6.3066 6.9110 6.9110 6.9111 6.9111 7.4041 7.4041 7.4042 7.4042 8.4103 8.4103 8.4103 8.4103 10.1808 10.1808 10.1810 10.1810 10.6781 10.6781 10.6783 10.6783 11.9761 11.9761 11.9764 11.9764 k = 0.5000 0.3810 0.1007 ( 2240 PWs) bands (ev): -6.5422 -6.5422 -6.5420 -6.5420 -4.6349 -4.6349 -4.6346 -4.6346 1.4495 1.4495 1.4497 1.4497 3.2101 3.2101 3.2103 3.2103 4.7122 4.7122 4.7124 4.7124 6.3011 6.3011 6.3014 6.3014 6.9014 6.9014 6.9016 6.9016 7.3528 7.3528 7.3529 7.3529 8.4347 8.4347 8.4348 8.4348 10.1607 10.1607 10.1609 10.1609 10.7248 10.7248 10.7250 10.7250 11.9783 11.9783 11.9785 11.9785 k = 0.5000 0.3810 0.1108 ( 2244 PWs) bands (ev): -6.5425 -6.5425 -6.5423 -6.5423 -4.6336 -4.6336 -4.6334 -4.6334 1.4532 1.4532 1.4534 1.4534 3.2021 3.2021 3.2022 3.2022 4.7334 4.7334 4.7336 4.7336 6.2951 6.2951 6.2954 6.2954 6.8904 6.8904 6.8905 6.8905 7.3029 7.3029 7.3030 7.3030 8.4573 8.4573 8.4573 8.4573 10.1390 10.1390 10.1392 10.1392 10.7746 10.7746 10.7748 10.7748 11.9805 11.9805 11.9807 11.9807 k = 0.5000 0.3810 0.1208 ( 2244 PWs) bands (ev): -6.5428 -6.5428 -6.5426 -6.5426 -4.6323 -4.6323 -4.6320 -4.6320 1.4572 1.4572 1.4574 1.4574 3.1938 3.1938 3.1939 3.1939 4.7557 4.7557 4.7558 4.7558 6.2885 6.2885 6.2887 6.2887 6.8779 6.8779 6.8781 6.8781 7.2554 7.2554 7.2555 7.2555 8.4779 8.4779 8.4779 8.4779 10.1162 10.1162 10.1164 10.1164 10.8269 10.8269 10.8271 10.8271 11.9827 11.9827 11.9829 11.9829 k = 0.5000 0.3810 0.1309 ( 2244 PWs) bands (ev): -6.5431 -6.5431 -6.5429 -6.5429 -4.6309 -4.6309 -4.6307 -4.6307 1.4614 1.4614 1.4616 1.4616 3.1854 3.1854 3.1856 3.1856 4.7788 4.7788 4.7790 4.7790 6.2810 6.2810 6.2813 6.2813 6.8639 6.8639 6.8641 6.8641 7.2105 7.2105 7.2107 7.2107 8.4967 8.4967 8.4967 8.4967 10.0924 10.0924 10.0926 10.0926 10.8809 10.8809 10.8810 10.8810 11.9848 11.9848 11.9851 11.9851 k = 0.5000 0.3810 0.1410 ( 2244 PWs) bands (ev): -6.5434 -6.5434 -6.5432 -6.5432 -4.6295 -4.6295 -4.6292 -4.6292 1.4657 1.4657 1.4659 1.4659 3.1770 3.1770 3.1771 3.1771 4.8027 4.8027 4.8028 4.8028 6.2728 6.2728 6.2730 6.2730 6.8483 6.8483 6.8485 6.8485 7.1690 7.1690 7.1691 7.1691 8.5137 8.5137 8.5138 8.5138 10.0682 10.0682 10.0684 10.0684 10.9360 10.9360 10.9362 10.9362 11.9870 11.9870 11.9872 11.9872 k = 0.5000 0.3810 0.1511 ( 2244 PWs) bands (ev): -6.5437 -6.5437 -6.5435 -6.5435 -4.6280 -4.6280 -4.6278 -4.6278 1.4701 1.4701 1.4703 1.4703 3.1686 3.1686 3.1687 3.1687 4.8270 4.8270 4.8271 4.8271 6.2637 6.2637 6.2639 6.2639 6.8313 6.8313 6.8314 6.8314 7.1311 7.1311 7.1312 7.1312 8.5291 8.5291 8.5291 8.5291 10.0436 10.0436 10.0438 10.0438 10.9917 10.9917 10.9919 10.9919 11.9890 11.9890 11.9893 11.9893 k = 0.5000 0.3810 0.1611 ( 2240 PWs) bands (ev): -6.5440 -6.5440 -6.5438 -6.5438 -4.6266 -4.6266 -4.6263 -4.6263 1.4745 1.4745 1.4748 1.4748 3.1603 3.1603 3.1604 3.1604 4.8515 4.8515 4.8517 4.8517 6.2538 6.2538 6.2541 6.2541 6.8130 6.8130 6.8132 6.8132 7.0969 7.0969 7.0970 7.0970 8.5429 8.5429 8.5430 8.5430 10.0191 10.0191 10.0193 10.0193 11.0474 11.0474 11.0475 11.0475 11.9910 11.9910 11.9912 11.9912 k = 0.5000 0.3810 0.1712 ( 2236 PWs) bands (ev): -6.5443 -6.5443 -6.5441 -6.5441 -4.6251 -4.6251 -4.6249 -4.6249 1.4790 1.4790 1.4793 1.4793 3.1522 3.1522 3.1524 3.1524 4.8761 4.8761 4.8763 4.8763 6.2432 6.2432 6.2434 6.2434 6.7937 6.7937 6.7939 6.7939 7.0664 7.0664 7.0665 7.0665 8.5553 8.5553 8.5554 8.5554 9.9950 9.9950 9.9952 9.9952 11.1024 11.1024 11.1025 11.1025 11.9929 11.9929 11.9932 11.9932 k = 0.5000 0.3810 0.1813 ( 2228 PWs) bands (ev): -6.5446 -6.5446 -6.5444 -6.5444 -4.6237 -4.6237 -4.6235 -4.6235 1.4834 1.4834 1.4836 1.4836 3.1446 3.1446 3.1447 3.1447 4.9005 4.9005 4.9007 4.9007 6.2319 6.2319 6.2321 6.2321 6.7739 6.7739 6.7741 6.7741 7.0394 7.0394 7.0396 7.0396 8.5664 8.5664 8.5665 8.5665 9.9714 9.9714 9.9716 9.9716 11.1562 11.1562 11.1564 11.1564 11.9947 11.9947 11.9950 11.9950 k = 0.5000 0.3810 0.1913 ( 2228 PWs) bands (ev): -6.5449 -6.5449 -6.5447 -6.5447 -4.6223 -4.6223 -4.6221 -4.6221 1.4878 1.4878 1.4880 1.4880 3.1371 3.1371 3.1372 3.1372 4.9244 4.9244 4.9245 4.9245 6.2200 6.2200 6.2202 6.2202 6.7541 6.7541 6.7542 6.7542 7.0156 7.0156 7.0158 7.0158 8.5762 8.5762 8.5763 8.5763 9.9485 9.9485 9.9487 9.9487 11.2083 11.2083 11.2084 11.2084 11.9964 11.9964 11.9966 11.9966 k = 0.5000 0.3810 0.2014 ( 2232 PWs) bands (ev): -6.5452 -6.5452 -6.5450 -6.5450 -4.6210 -4.6210 -4.6208 -4.6208 1.4920 1.4920 1.4922 1.4922 3.1300 3.1300 3.1301 3.1301 4.9475 4.9475 4.9477 4.9477 6.2076 6.2076 6.2078 6.2078 6.7347 6.7347 6.7349 6.7349 6.9947 6.9947 6.9948 6.9948 8.5849 8.5849 8.5850 8.5850 9.9266 9.9266 9.9268 9.9268 11.2582 11.2582 11.2583 11.2583 11.9979 11.9979 11.9981 11.9981 k = 0.5000 0.3810 0.2115 ( 2236 PWs) bands (ev): -6.5455 -6.5455 -6.5453 -6.5453 -4.6197 -4.6197 -4.6195 -4.6195 1.4960 1.4960 1.4962 1.4962 3.1233 3.1233 3.1235 3.1235 4.9697 4.9697 4.9699 4.9699 6.1950 6.1950 6.1952 6.1952 6.7163 6.7163 6.7165 6.7165 6.9762 6.9762 6.9764 6.9764 8.5925 8.5925 8.5927 8.5927 9.9060 9.9060 9.9062 9.9062 11.3054 11.3054 11.3056 11.3056 11.9993 11.9993 11.9995 11.9995 k = 0.5000 0.3810 0.2215 ( 2236 PWs) bands (ev): -6.5458 -6.5458 -6.5455 -6.5455 -4.6185 -4.6185 -4.6183 -4.6183 1.4998 1.4998 1.5000 1.5000 3.1172 3.1172 3.1173 3.1173 4.9908 4.9908 4.9909 4.9909 6.1825 6.1825 6.1827 6.1827 6.6993 6.6993 6.6995 6.6995 6.9600 6.9600 6.9602 6.9602 8.5992 8.5992 8.5994 8.5994 9.8868 9.8868 9.8870 9.8870 11.3496 11.3496 11.3497 11.3497 12.0005 12.0005 12.0008 12.0008 k = 0.5000 0.3810 0.2316 ( 2244 PWs) bands (ev): -6.5460 -6.5460 -6.5458 -6.5458 -4.6174 -4.6174 -4.6172 -4.6172 1.5033 1.5033 1.5035 1.5035 3.1116 3.1116 3.1117 3.1117 5.0103 5.0103 5.0104 5.0104 6.1702 6.1702 6.1704 6.1704 6.6838 6.6838 6.6840 6.6840 6.9458 6.9458 6.9460 6.9460 8.6050 8.6050 8.6052 8.6052 9.8692 9.8692 9.8694 9.8694 11.3902 11.3902 11.3903 11.3903 12.0016 12.0016 12.0018 12.0018 k = 0.5000 0.3810 0.2417 ( 2244 PWs) bands (ev): -6.5462 -6.5462 -6.5460 -6.5460 -4.6164 -4.6164 -4.6162 -4.6162 1.5065 1.5065 1.5067 1.5067 3.1066 3.1066 3.1067 3.1067 5.0282 5.0282 5.0283 5.0283 6.1585 6.1585 6.1587 6.1587 6.6701 6.6701 6.6703 6.6703 6.9334 6.9334 6.9336 6.9336 8.6100 8.6100 8.6102 8.6102 9.8533 9.8533 9.8535 9.8535 11.4270 11.4270 11.4271 11.4271 12.0026 12.0026 12.0028 12.0028 k = 0.5000 0.3810 0.2518 ( 2244 PWs) bands (ev): -6.5464 -6.5464 -6.5462 -6.5462 -4.6155 -4.6155 -4.6153 -4.6153 1.5094 1.5094 1.5096 1.5096 3.1022 3.1022 3.1023 3.1023 5.0443 5.0443 5.0444 5.0444 6.1477 6.1477 6.1479 6.1479 6.6583 6.6583 6.6585 6.6585 6.9227 6.9227 6.9229 6.9229 8.6143 8.6143 8.6144 8.6144 9.8393 9.8393 9.8395 9.8395 11.4596 11.4596 11.4597 11.4597 12.0034 12.0034 12.0037 12.0037 k = 0.5000 0.3810 0.2618 ( 2236 PWs) bands (ev): -6.5466 -6.5466 -6.5463 -6.5463 -4.6148 -4.6148 -4.6145 -4.6145 1.5119 1.5119 1.5121 1.5121 3.0984 3.0984 3.0985 3.0985 5.0583 5.0583 5.0584 5.0584 6.1381 6.1381 6.1383 6.1383 6.6484 6.6484 6.6486 6.6486 6.9137 6.9137 6.9139 6.9139 8.6178 8.6178 8.6179 8.6179 9.8273 9.8273 9.8275 9.8275 11.4877 11.4877 11.4878 11.4878 12.0043 12.0043 12.0045 12.0045 k = 0.5000 0.3810 0.2719 ( 2232 PWs) bands (ev): -6.5467 -6.5467 -6.5465 -6.5465 -4.6141 -4.6141 -4.6139 -4.6139 1.5140 1.5140 1.5142 1.5142 3.0953 3.0953 3.0954 3.0954 5.0700 5.0700 5.0701 5.0701 6.1299 6.1299 6.1301 6.1301 6.6404 6.6404 6.6406 6.6406 6.9063 6.9063 6.9065 6.9065 8.6206 8.6206 8.6208 8.6208 9.8173 9.8173 9.8175 9.8175 11.5110 11.5110 11.5111 11.5111 12.0049 12.0049 12.0051 12.0051 k = 0.5000 0.3810 0.2820 ( 2232 PWs) bands (ev): -6.5468 -6.5468 -6.5466 -6.5466 -4.6136 -4.6136 -4.6134 -4.6134 1.5157 1.5157 1.5159 1.5159 3.0929 3.0929 3.0930 3.0930 5.0793 5.0793 5.0794 5.0794 6.1232 6.1232 6.1234 6.1234 6.6341 6.6341 6.6343 6.6343 6.9006 6.9006 6.9008 6.9008 8.6228 8.6228 8.6229 8.6229 9.8093 9.8093 9.8095 9.8095 11.5294 11.5294 11.5295 11.5295 12.0054 12.0054 12.0056 12.0056 k = 0.5000 0.3810 0.2920 ( 2232 PWs) bands (ev): -6.5469 -6.5469 -6.5467 -6.5467 -4.6132 -4.6132 -4.6130 -4.6130 1.5169 1.5169 1.5171 1.5171 3.0911 3.0911 3.0912 3.0912 5.0861 5.0861 5.0862 5.0862 6.1183 6.1183 6.1185 6.1185 6.6297 6.6297 6.6299 6.6299 6.8964 6.8964 6.8966 6.8966 8.6243 8.6243 8.6245 8.6245 9.8037 9.8037 9.8039 9.8039 11.5427 11.5427 11.5428 11.5428 12.0057 12.0057 12.0059 12.0059 k = 0.5000 0.3810 0.3021 ( 2236 PWs) bands (ev): -6.5469 -6.5469 -6.5467 -6.5467 -4.6130 -4.6130 -4.6128 -4.6128 1.5176 1.5176 1.5178 1.5178 3.0901 3.0901 3.0902 3.0902 5.0902 5.0902 5.0903 5.0903 6.1153 6.1153 6.1155 6.1155 6.6270 6.6270 6.6272 6.6272 6.8939 6.8939 6.8941 6.8941 8.6252 8.6252 8.6254 8.6254 9.8001 9.8001 9.8003 9.8003 11.5507 11.5507 11.5508 11.5508 12.0059 12.0059 12.0061 12.0061 k = 0.5000 0.3810 0.3122 ( 2232 PWs) bands (ev): -6.5469 -6.5469 -6.5467 -6.5467 -4.6129 -4.6129 -4.6127 -4.6127 1.5178 1.5178 1.5181 1.5181 3.0898 3.0898 3.0899 3.0899 5.0915 5.0915 5.0916 5.0916 6.1143 6.1143 6.1145 6.1145 6.6261 6.6261 6.6264 6.6264 6.8931 6.8931 6.8933 6.8933 8.6256 8.6256 8.6257 8.6257 9.7990 9.7990 9.7992 9.7992 11.5534 11.5534 11.5534 11.5534 12.0060 12.0060 12.0062 12.0062 Writing output data file PdN2.save init_run : 0.41s CPU 0.74s WALL ( 1 calls) electrons : 226.39s CPU 228.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 226.39s CPU 228.88s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 488 calls) cegterg : 206.08s CPU 207.97s WALL ( 514 calls) Called by sum_band: Called by *egterg: h_psi : 134.63s CPU 139.77s WALL ( 8582 calls) s_psi : 10.52s CPU 10.63s WALL ( 8582 calls) g_psi : 0.20s CPU 0.27s WALL ( 7580 calls) cdiaghg : 56.21s CPU 53.38s WALL ( 8068 calls) cegterg:over : 10.24s CPU 8.70s WALL ( 7580 calls) cegterg:upda : 1.73s CPU 3.73s WALL ( 7580 calls) cegterg:last : 2.59s CPU 3.40s WALL ( 1977 calls) Called by h_psi: h_psi:vloc : 122.39s CPU 126.53s WALL ( 8582 calls) h_psi:vnl : 12.20s CPU 13.07s WALL ( 8582 calls) add_vuspsi : 4.92s CPU 6.98s WALL ( 8582 calls) General routines calbec : 7.27s CPU 6.07s WALL ( 8582 calls) fft : 0.03s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 118.42s CPU 120.47s WALL ( 1192336 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.11s CPU 0.22s WALL ( 976 calls) Parallel routines fft_scatter : 91.50s CPU 84.31s WALL ( 1192359 calls) PWSCF : 4m16.02s CPU 4m24.44s WALL This run was terminated on: 16:35: 4 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=