Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:15:22 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: ./FeP2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 22 6 1000 672 112 Max 29 23 7 1005 686 119 Sum 923 707 219 32083 21745 3711 bravais-lattice index = 14 lattice parameter (alat) = 5.1457 a.u. unit-cell volume = 516.9216 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.145724 celldm(2)= 1.826258 celldm(3)= 2.077415 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 1.826258 0.000000 ) a(3) = ( 0.000000 0.000000 2.077415 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.547568 -0.000000 ) b(3) = ( 0.000000 0.000000 0.481368 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa 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 1147 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 Fe 8.00 55.84500 Fe( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0086207 -0.0000000 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0431035 -0.0000000 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0020661 k( 8) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0775862 -0.0000000 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0020661 k( 12) = ( 0.0948276 -0.0000000 -0.0000000), wk = 0.0020661 k( 13) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0020661 k( 14) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0020661 k( 15) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0020661 k( 16) = ( 0.1293103 -0.0000000 -0.0000000), wk = 0.0020661 k( 17) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0020661 k( 18) = ( 0.1465517 -0.0000000 -0.0000000), wk = 0.0020661 k( 19) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0020661 k( 20) = ( 0.1637931 -0.0000000 -0.0000000), wk = 0.0020661 k( 21) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0020661 k( 22) = ( 0.1810345 -0.0000000 -0.0000000), wk = 0.0020661 k( 23) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0020661 k( 24) = ( 0.1982759 -0.0000000 -0.0000000), wk = 0.0020661 k( 25) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0020661 k( 26) = ( 0.2155172 -0.0000000 -0.0000000), wk = 0.0020661 k( 27) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0020661 k( 28) = ( 0.2327586 -0.0000000 -0.0000000), wk = 0.0020661 k( 29) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0020661 k( 30) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0020661 k( 32) = ( 0.2672414 -0.0000000 -0.0000000), wk = 0.0020661 k( 33) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0020661 k( 34) = ( 0.2844828 -0.0000000 -0.0000000), wk = 0.0020661 k( 35) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0020661 k( 36) = ( 0.3017241 -0.0000000 -0.0000000), wk = 0.0020661 k( 37) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0020661 k( 38) = ( 0.3189655 -0.0000000 -0.0000000), wk = 0.0020661 k( 39) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0020661 k( 40) = ( 0.3362069 -0.0000000 -0.0000000), wk = 0.0020661 k( 41) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0020661 k( 42) = ( 0.3534483 -0.0000000 -0.0000000), wk = 0.0020661 k( 43) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0020661 k( 44) = ( 0.3706897 -0.0000000 -0.0000000), wk = 0.0020661 k( 45) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0020661 k( 46) = ( 0.3879310 -0.0000000 -0.0000000), wk = 0.0020661 k( 47) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0020661 k( 48) = ( 0.4051724 -0.0000000 -0.0000000), wk = 0.0020661 k( 49) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0020661 k( 50) = ( 0.4224138 -0.0000000 -0.0000000), wk = 0.0020661 k( 51) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0020661 k( 52) = ( 0.4396552 -0.0000000 -0.0000000), wk = 0.0020661 k( 53) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0020661 k( 54) = ( 0.4568966 -0.0000000 -0.0000000), wk = 0.0020661 k( 55) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0020661 k( 56) = ( 0.4741379 -0.0000000 -0.0000000), wk = 0.0020661 k( 57) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0020661 k( 58) = ( 0.4913793 -0.0000000 -0.0000000), wk = 0.0020661 k( 59) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 60) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 61) = ( 0.5000000 0.0085557 -0.0000000), wk = 0.0020661 k( 62) = ( 0.5000000 0.0171115 -0.0000000), wk = 0.0020661 k( 63) = ( 0.5000000 0.0256672 -0.0000000), wk = 0.0020661 k( 64) = ( 0.5000000 0.0342230 -0.0000000), wk = 0.0020661 k( 65) = ( 0.5000000 0.0427787 -0.0000000), wk = 0.0020661 k( 66) = ( 0.5000000 0.0513345 -0.0000000), wk = 0.0020661 k( 67) = ( 0.5000000 0.0598902 -0.0000000), wk = 0.0020661 k( 68) = ( 0.5000000 0.0684460 -0.0000000), wk = 0.0020661 k( 69) = ( 0.5000000 0.0770017 -0.0000000), wk = 0.0020661 k( 70) = ( 0.5000000 0.0855575 -0.0000000), wk = 0.0020661 k( 71) = ( 0.5000000 0.0941132 -0.0000000), wk = 0.0020661 k( 72) = ( 0.5000000 0.1026690 -0.0000000), wk = 0.0020661 k( 73) = ( 0.5000000 0.1112247 -0.0000000), wk = 0.0020661 k( 74) = ( 0.5000000 0.1197805 -0.0000000), wk = 0.0020661 k( 75) = ( 0.5000000 0.1283362 -0.0000000), wk = 0.0020661 k( 76) = ( 0.5000000 0.1368920 -0.0000000), wk = 0.0020661 k( 77) = ( 0.5000000 0.1454477 -0.0000000), wk = 0.0020661 k( 78) = ( 0.5000000 0.1540034 -0.0000000), wk = 0.0020661 k( 79) = ( 0.5000000 0.1625592 -0.0000000), wk = 0.0020661 k( 80) = ( 0.5000000 0.1711149 -0.0000000), wk = 0.0020661 k( 81) = ( 0.5000000 0.1796707 -0.0000000), wk = 0.0020661 k( 82) = ( 0.5000000 0.1882264 -0.0000000), wk = 0.0020661 k( 83) = ( 0.5000000 0.1967822 -0.0000000), wk = 0.0020661 k( 84) = ( 0.5000000 0.2053379 -0.0000000), wk = 0.0020661 k( 85) = ( 0.5000000 0.2138937 -0.0000000), wk = 0.0020661 k( 86) = ( 0.5000000 0.2224494 -0.0000000), wk = 0.0020661 k( 87) = ( 0.5000000 0.2310052 -0.0000000), wk = 0.0020661 k( 88) = ( 0.5000000 0.2395609 -0.0000000), wk = 0.0020661 k( 89) = ( 0.5000000 0.2481167 -0.0000000), wk = 0.0020661 k( 90) = ( 0.5000000 0.2566724 -0.0000000), wk = 0.0020661 k( 91) = ( 0.5000000 0.2652282 -0.0000000), wk = 0.0020661 k( 92) = ( 0.5000000 0.2737839 -0.0000000), wk = 0.0020661 k( 93) = ( 0.5000000 0.2737839 -0.0000000), wk = 0.0020661 k( 94) = ( 0.4913793 0.2737839 -0.0000000), wk = 0.0020661 k( 95) = ( 0.4827586 0.2737839 -0.0000000), wk = 0.0020661 k( 96) = ( 0.4741379 0.2737839 -0.0000000), wk = 0.0020661 k( 97) = ( 0.4655172 0.2737839 -0.0000000), wk = 0.0020661 k( 98) = ( 0.4568966 0.2737839 -0.0000000), wk = 0.0020661 k( 99) = ( 0.4482759 0.2737839 -0.0000000), wk = 0.0020661 k( 100) = ( 0.4396552 0.2737839 -0.0000000), wk = 0.0020661 k( 101) = ( 0.4310345 0.2737839 -0.0000000), wk = 0.0020661 k( 102) = ( 0.4224138 0.2737839 -0.0000000), wk = 0.0020661 k( 103) = ( 0.4137931 0.2737839 -0.0000000), wk = 0.0020661 k( 104) = ( 0.4051724 0.2737839 -0.0000000), wk = 0.0020661 k( 105) = ( 0.3965517 0.2737839 -0.0000000), wk = 0.0020661 k( 106) = ( 0.3879310 0.2737839 -0.0000000), wk = 0.0020661 k( 107) = ( 0.3793103 0.2737839 -0.0000000), wk = 0.0020661 k( 108) = ( 0.3706897 0.2737839 -0.0000000), wk = 0.0020661 k( 109) = ( 0.3620690 0.2737839 -0.0000000), wk = 0.0020661 k( 110) = ( 0.3534483 0.2737839 -0.0000000), wk = 0.0020661 k( 111) = ( 0.3448276 0.2737839 -0.0000000), wk = 0.0020661 k( 112) = ( 0.3362069 0.2737839 -0.0000000), wk = 0.0020661 k( 113) = ( 0.3275862 0.2737839 -0.0000000), wk = 0.0020661 k( 114) = ( 0.3189655 0.2737839 -0.0000000), wk = 0.0020661 k( 115) = ( 0.3103448 0.2737839 -0.0000000), wk = 0.0020661 k( 116) = ( 0.3017241 0.2737839 -0.0000000), wk = 0.0020661 k( 117) = ( 0.2931034 0.2737839 -0.0000000), wk = 0.0020661 k( 118) = ( 0.2844828 0.2737839 -0.0000000), wk = 0.0020661 k( 119) = ( 0.2758621 0.2737839 -0.0000000), wk = 0.0020661 k( 120) = ( 0.2672414 0.2737839 -0.0000000), wk = 0.0020661 k( 121) = ( 0.2586207 0.2737839 -0.0000000), wk = 0.0020661 k( 122) = ( 0.2500000 0.2737839 -0.0000000), wk = 0.0020661 k( 123) = ( 0.2413793 0.2737839 -0.0000000), wk = 0.0020661 k( 124) = ( 0.2327586 0.2737839 -0.0000000), wk = 0.0020661 k( 125) = ( 0.2241379 0.2737839 -0.0000000), wk = 0.0020661 k( 126) = ( 0.2155172 0.2737839 -0.0000000), wk = 0.0020661 k( 127) = ( 0.2068966 0.2737839 -0.0000000), wk = 0.0020661 k( 128) = ( 0.1982759 0.2737839 -0.0000000), wk = 0.0020661 k( 129) = ( 0.1896552 0.2737839 -0.0000000), wk = 0.0020661 k( 130) = ( 0.1810345 0.2737839 -0.0000000), wk = 0.0020661 k( 131) = ( 0.1724138 0.2737839 -0.0000000), wk = 0.0020661 k( 132) = ( 0.1637931 0.2737839 -0.0000000), wk = 0.0020661 k( 133) = ( 0.1551724 0.2737839 -0.0000000), wk = 0.0020661 k( 134) = ( 0.1465517 0.2737839 -0.0000000), wk = 0.0020661 k( 135) = ( 0.1379310 0.2737839 -0.0000000), wk = 0.0020661 k( 136) = ( 0.1293103 0.2737839 -0.0000000), wk = 0.0020661 k( 137) = ( 0.1206897 0.2737839 -0.0000000), wk = 0.0020661 k( 138) = ( 0.1120690 0.2737839 -0.0000000), wk = 0.0020661 k( 139) = ( 0.1034483 0.2737839 -0.0000000), wk = 0.0020661 k( 140) = ( 0.0948276 0.2737839 -0.0000000), wk = 0.0020661 k( 141) = ( 0.0862069 0.2737839 -0.0000000), wk = 0.0020661 k( 142) = ( 0.0775862 0.2737839 -0.0000000), wk = 0.0020661 k( 143) = ( 0.0689655 0.2737839 -0.0000000), wk = 0.0020661 k( 144) = ( 0.0603448 0.2737839 -0.0000000), wk = 0.0020661 k( 145) = ( 0.0517241 0.2737839 -0.0000000), wk = 0.0020661 k( 146) = ( 0.0431035 0.2737839 -0.0000000), wk = 0.0020661 k( 147) = ( 0.0344828 0.2737839 -0.0000000), wk = 0.0020661 k( 148) = ( 0.0258621 0.2737839 -0.0000000), wk = 0.0020661 k( 149) = ( 0.0172414 0.2737839 -0.0000000), wk = 0.0020661 k( 150) = ( 0.0086207 0.2737839 -0.0000000), wk = 0.0020661 k( 151) = ( 0.0000000 0.2737839 -0.0000000), wk = 0.0020661 k( 152) = ( 0.0000000 0.2737839 -0.0000000), wk = 0.0020661 k( 153) = ( 0.0000000 0.2652282 -0.0000000), wk = 0.0020661 k( 154) = ( 0.0000000 0.2566724 -0.0000000), wk = 0.0020661 k( 155) = ( 0.0000000 0.2481167 -0.0000000), wk = 0.0020661 k( 156) = ( 0.0000000 0.2395609 -0.0000000), wk = 0.0020661 k( 157) = ( 0.0000000 0.2310052 -0.0000000), wk = 0.0020661 k( 158) = ( 0.0000000 0.2224494 -0.0000000), wk = 0.0020661 k( 159) = ( 0.0000000 0.2138937 -0.0000000), wk = 0.0020661 k( 160) = ( 0.0000000 0.2053379 -0.0000000), wk = 0.0020661 k( 161) = ( 0.0000000 0.1967822 -0.0000000), wk = 0.0020661 k( 162) = ( 0.0000000 0.1882264 -0.0000000), wk = 0.0020661 k( 163) = ( 0.0000000 0.1796707 -0.0000000), wk = 0.0020661 k( 164) = ( 0.0000000 0.1711149 -0.0000000), wk = 0.0020661 k( 165) = ( 0.0000000 0.1625592 -0.0000000), wk = 0.0020661 k( 166) = ( 0.0000000 0.1540034 -0.0000000), wk = 0.0020661 k( 167) = ( 0.0000000 0.1454477 -0.0000000), wk = 0.0020661 k( 168) = ( 0.0000000 0.1368920 -0.0000000), wk = 0.0020661 k( 169) = ( 0.0000000 0.1283362 -0.0000000), wk = 0.0020661 k( 170) = ( 0.0000000 0.1197805 -0.0000000), wk = 0.0020661 k( 171) = ( 0.0000000 0.1112247 -0.0000000), wk = 0.0020661 k( 172) = ( 0.0000000 0.1026690 -0.0000000), wk = 0.0020661 k( 173) = ( 0.0000000 0.0941132 -0.0000000), wk = 0.0020661 k( 174) = ( 0.0000000 0.0855575 -0.0000000), wk = 0.0020661 k( 175) = ( 0.0000000 0.0770017 -0.0000000), wk = 0.0020661 k( 176) = ( 0.0000000 0.0684460 -0.0000000), wk = 0.0020661 k( 177) = ( 0.0000000 0.0598902 -0.0000000), wk = 0.0020661 k( 178) = ( 0.0000000 0.0513345 -0.0000000), wk = 0.0020661 k( 179) = ( 0.0000000 0.0427787 -0.0000000), wk = 0.0020661 k( 180) = ( 0.0000000 0.0342230 -0.0000000), wk = 0.0020661 k( 181) = ( 0.0000000 0.0256672 -0.0000000), wk = 0.0020661 k( 182) = ( 0.0000000 0.0171115 -0.0000000), wk = 0.0020661 k( 183) = ( 0.0000000 0.0085557 -0.0000000), wk = 0.0020661 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 186) = ( 0.0000000 0.0000000 0.0085958), wk = 0.0020661 k( 187) = ( 0.0000000 0.0000000 0.0171917), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.0257875), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.0343834), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.0429792), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.0515751), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.0601709), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.0687668), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.0773626), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.0859585), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.0945543), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.1031502), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.1117460), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.1203419), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.1289377), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.1375336), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.1461294), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.1547253), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.1633211), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.1719170), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.1805128), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.1891087), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.1977045), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.2063004), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.2148962), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.2234921), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.2320879), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.2406838), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.2406838), wk = 0.0020661 k( 215) = ( 0.0086207 -0.0000000 0.2406838), wk = 0.0020661 k( 216) = ( 0.0172414 -0.0000000 0.2406838), wk = 0.0020661 k( 217) = ( 0.0258621 -0.0000000 0.2406838), wk = 0.0020661 k( 218) = ( 0.0344828 -0.0000000 0.2406838), wk = 0.0020661 k( 219) = ( 0.0431035 -0.0000000 0.2406838), wk = 0.0020661 k( 220) = ( 0.0517241 -0.0000000 0.2406838), wk = 0.0020661 k( 221) = ( 0.0603448 -0.0000000 0.2406838), wk = 0.0020661 k( 222) = ( 0.0689655 -0.0000000 0.2406838), wk = 0.0020661 k( 223) = ( 0.0775862 -0.0000000 0.2406838), wk = 0.0020661 k( 224) = ( 0.0862069 -0.0000000 0.2406838), wk = 0.0020661 k( 225) = ( 0.0948276 -0.0000000 0.2406838), wk = 0.0020661 k( 226) = ( 0.1034483 -0.0000000 0.2406838), wk = 0.0020661 k( 227) = ( 0.1120690 -0.0000000 0.2406838), wk = 0.0020661 k( 228) = ( 0.1206897 -0.0000000 0.2406838), wk = 0.0020661 k( 229) = ( 0.1293103 -0.0000000 0.2406838), wk = 0.0020661 k( 230) = ( 0.1379310 -0.0000000 0.2406838), wk = 0.0020661 k( 231) = ( 0.1465517 -0.0000000 0.2406838), wk = 0.0020661 k( 232) = ( 0.1551724 -0.0000000 0.2406838), wk = 0.0020661 k( 233) = ( 0.1637931 -0.0000000 0.2406838), wk = 0.0020661 k( 234) = ( 0.1724138 -0.0000000 0.2406838), wk = 0.0020661 k( 235) = ( 0.1810345 -0.0000000 0.2406838), wk = 0.0020661 k( 236) = ( 0.1896552 -0.0000000 0.2406838), wk = 0.0020661 k( 237) = ( 0.1982759 -0.0000000 0.2406838), wk = 0.0020661 k( 238) = ( 0.2068966 -0.0000000 0.2406838), wk = 0.0020661 k( 239) = ( 0.2155172 -0.0000000 0.2406838), wk = 0.0020661 k( 240) = ( 0.2241379 -0.0000000 0.2406838), wk = 0.0020661 k( 241) = ( 0.2327586 -0.0000000 0.2406838), wk = 0.0020661 k( 242) = ( 0.2413793 -0.0000000 0.2406838), wk = 0.0020661 k( 243) = ( 0.2500000 -0.0000000 0.2406838), wk = 0.0020661 k( 244) = ( 0.2586207 -0.0000000 0.2406838), wk = 0.0020661 k( 245) = ( 0.2672414 -0.0000000 0.2406838), wk = 0.0020661 k( 246) = ( 0.2758621 -0.0000000 0.2406838), wk = 0.0020661 k( 247) = ( 0.2844828 -0.0000000 0.2406838), wk = 0.0020661 k( 248) = ( 0.2931034 -0.0000000 0.2406838), wk = 0.0020661 k( 249) = ( 0.3017241 -0.0000000 0.2406838), wk = 0.0020661 k( 250) = ( 0.3103448 -0.0000000 0.2406838), wk = 0.0020661 k( 251) = ( 0.3189655 -0.0000000 0.2406838), wk = 0.0020661 k( 252) = ( 0.3275862 -0.0000000 0.2406838), wk = 0.0020661 k( 253) = ( 0.3362069 -0.0000000 0.2406838), wk = 0.0020661 k( 254) = ( 0.3448276 -0.0000000 0.2406838), wk = 0.0020661 k( 255) = ( 0.3534483 -0.0000000 0.2406838), wk = 0.0020661 k( 256) = ( 0.3620690 -0.0000000 0.2406838), wk = 0.0020661 k( 257) = ( 0.3706897 -0.0000000 0.2406838), wk = 0.0020661 k( 258) = ( 0.3793103 -0.0000000 0.2406838), wk = 0.0020661 k( 259) = ( 0.3879310 -0.0000000 0.2406838), wk = 0.0020661 k( 260) = ( 0.3965517 -0.0000000 0.2406838), wk = 0.0020661 k( 261) = ( 0.4051724 -0.0000000 0.2406838), wk = 0.0020661 k( 262) = ( 0.4137931 -0.0000000 0.2406838), wk = 0.0020661 k( 263) = ( 0.4224138 -0.0000000 0.2406838), wk = 0.0020661 k( 264) = ( 0.4310345 -0.0000000 0.2406838), wk = 0.0020661 k( 265) = ( 0.4396552 -0.0000000 0.2406838), wk = 0.0020661 k( 266) = ( 0.4482759 -0.0000000 0.2406838), wk = 0.0020661 k( 267) = ( 0.4568966 -0.0000000 0.2406838), wk = 0.0020661 k( 268) = ( 0.4655172 -0.0000000 0.2406838), wk = 0.0020661 k( 269) = ( 0.4741379 -0.0000000 0.2406838), wk = 0.0020661 k( 270) = ( 0.4827586 -0.0000000 0.2406838), wk = 0.0020661 k( 271) = ( 0.4913793 -0.0000000 0.2406838), wk = 0.0020661 k( 272) = ( 0.5000000 -0.0000000 0.2406838), wk = 0.0020661 k( 273) = ( 0.5000000 -0.0000000 0.2406838), wk = 0.0020661 k( 274) = ( 0.5000000 0.0085557 0.2406838), wk = 0.0020661 k( 275) = ( 0.5000000 0.0171115 0.2406838), wk = 0.0020661 k( 276) = ( 0.5000000 0.0256672 0.2406838), wk = 0.0020661 k( 277) = ( 0.5000000 0.0342230 0.2406838), wk = 0.0020661 k( 278) = ( 0.5000000 0.0427787 0.2406838), wk = 0.0020661 k( 279) = ( 0.5000000 0.0513345 0.2406838), wk = 0.0020661 k( 280) = ( 0.5000000 0.0598902 0.2406838), wk = 0.0020661 k( 281) = ( 0.5000000 0.0684460 0.2406838), wk = 0.0020661 k( 282) = ( 0.5000000 0.0770017 0.2406838), wk = 0.0020661 k( 283) = ( 0.5000000 0.0855575 0.2406838), wk = 0.0020661 k( 284) = ( 0.5000000 0.0941132 0.2406838), wk = 0.0020661 k( 285) = ( 0.5000000 0.1026690 0.2406838), wk = 0.0020661 k( 286) = ( 0.5000000 0.1112247 0.2406838), wk = 0.0020661 k( 287) = ( 0.5000000 0.1197805 0.2406838), wk = 0.0020661 k( 288) = ( 0.5000000 0.1283362 0.2406838), wk = 0.0020661 k( 289) = ( 0.5000000 0.1368920 0.2406838), wk = 0.0020661 k( 290) = ( 0.5000000 0.1454477 0.2406838), wk = 0.0020661 k( 291) = ( 0.5000000 0.1540034 0.2406838), wk = 0.0020661 k( 292) = ( 0.5000000 0.1625592 0.2406838), wk = 0.0020661 k( 293) = ( 0.5000000 0.1711149 0.2406838), wk = 0.0020661 k( 294) = ( 0.5000000 0.1796707 0.2406838), wk = 0.0020661 k( 295) = ( 0.5000000 0.1882264 0.2406838), wk = 0.0020661 k( 296) = ( 0.5000000 0.1967822 0.2406838), wk = 0.0020661 k( 297) = ( 0.5000000 0.2053379 0.2406838), wk = 0.0020661 k( 298) = ( 0.5000000 0.2138937 0.2406838), wk = 0.0020661 k( 299) = ( 0.5000000 0.2224494 0.2406838), wk = 0.0020661 k( 300) = ( 0.5000000 0.2310052 0.2406838), wk = 0.0020661 k( 301) = ( 0.5000000 0.2395609 0.2406838), wk = 0.0020661 k( 302) = ( 0.5000000 0.2481167 0.2406838), wk = 0.0020661 k( 303) = ( 0.5000000 0.2566724 0.2406838), wk = 0.0020661 k( 304) = ( 0.5000000 0.2652282 0.2406838), wk = 0.0020661 k( 305) = ( 0.5000000 0.2737839 0.2406838), wk = 0.0020661 k( 306) = ( 0.5000000 0.2737839 0.2406838), wk = 0.0020661 k( 307) = ( 0.4913793 0.2737839 0.2406838), wk = 0.0020661 k( 308) = ( 0.4827586 0.2737839 0.2406838), wk = 0.0020661 k( 309) = ( 0.4741379 0.2737839 0.2406838), wk = 0.0020661 k( 310) = ( 0.4655172 0.2737839 0.2406838), wk = 0.0020661 k( 311) = ( 0.4568966 0.2737839 0.2406838), wk = 0.0020661 k( 312) = ( 0.4482759 0.2737839 0.2406838), wk = 0.0020661 k( 313) = ( 0.4396552 0.2737839 0.2406838), wk = 0.0020661 k( 314) = ( 0.4310345 0.2737839 0.2406838), wk = 0.0020661 k( 315) = ( 0.4224138 0.2737839 0.2406838), wk = 0.0020661 k( 316) = ( 0.4137931 0.2737839 0.2406838), wk = 0.0020661 k( 317) = ( 0.4051724 0.2737839 0.2406838), wk = 0.0020661 k( 318) = ( 0.3965517 0.2737839 0.2406838), wk = 0.0020661 k( 319) = ( 0.3879310 0.2737839 0.2406838), wk = 0.0020661 k( 320) = ( 0.3793103 0.2737839 0.2406838), wk = 0.0020661 k( 321) = ( 0.3706897 0.2737839 0.2406838), wk = 0.0020661 k( 322) = ( 0.3620690 0.2737839 0.2406838), wk = 0.0020661 k( 323) = ( 0.3534483 0.2737839 0.2406838), wk = 0.0020661 k( 324) = ( 0.3448276 0.2737839 0.2406838), wk = 0.0020661 k( 325) = ( 0.3362069 0.2737839 0.2406838), wk = 0.0020661 k( 326) = ( 0.3275862 0.2737839 0.2406838), wk = 0.0020661 k( 327) = ( 0.3189655 0.2737839 0.2406838), wk = 0.0020661 k( 328) = ( 0.3103448 0.2737839 0.2406838), wk = 0.0020661 k( 329) = ( 0.3017241 0.2737839 0.2406838), wk = 0.0020661 k( 330) = ( 0.2931034 0.2737839 0.2406838), wk = 0.0020661 k( 331) = ( 0.2844828 0.2737839 0.2406838), wk = 0.0020661 k( 332) = ( 0.2758621 0.2737839 0.2406838), wk = 0.0020661 k( 333) = ( 0.2672414 0.2737839 0.2406838), wk = 0.0020661 k( 334) = ( 0.2586207 0.2737839 0.2406838), wk = 0.0020661 k( 335) = ( 0.2500000 0.2737839 0.2406838), wk = 0.0020661 k( 336) = ( 0.2413793 0.2737839 0.2406838), wk = 0.0020661 k( 337) = ( 0.2327586 0.2737839 0.2406838), wk = 0.0020661 k( 338) = ( 0.2241379 0.2737839 0.2406838), wk = 0.0020661 k( 339) = ( 0.2155172 0.2737839 0.2406838), wk = 0.0020661 k( 340) = ( 0.2068966 0.2737839 0.2406838), wk = 0.0020661 k( 341) = ( 0.1982759 0.2737839 0.2406838), wk = 0.0020661 k( 342) = ( 0.1896552 0.2737839 0.2406838), wk = 0.0020661 k( 343) = ( 0.1810345 0.2737839 0.2406838), wk = 0.0020661 k( 344) = ( 0.1724138 0.2737839 0.2406838), wk = 0.0020661 k( 345) = ( 0.1637931 0.2737839 0.2406838), wk = 0.0020661 k( 346) = ( 0.1551724 0.2737839 0.2406838), wk = 0.0020661 k( 347) = ( 0.1465517 0.2737839 0.2406838), wk = 0.0020661 k( 348) = ( 0.1379310 0.2737839 0.2406838), wk = 0.0020661 k( 349) = ( 0.1293103 0.2737839 0.2406838), wk = 0.0020661 k( 350) = ( 0.1206897 0.2737839 0.2406838), wk = 0.0020661 k( 351) = ( 0.1120690 0.2737839 0.2406838), wk = 0.0020661 k( 352) = ( 0.1034483 0.2737839 0.2406838), wk = 0.0020661 k( 353) = ( 0.0948276 0.2737839 0.2406838), wk = 0.0020661 k( 354) = ( 0.0862069 0.2737839 0.2406838), wk = 0.0020661 k( 355) = ( 0.0775862 0.2737839 0.2406838), wk = 0.0020661 k( 356) = ( 0.0689655 0.2737839 0.2406838), wk = 0.0020661 k( 357) = ( 0.0603448 0.2737839 0.2406838), wk = 0.0020661 k( 358) = ( 0.0517241 0.2737839 0.2406838), wk = 0.0020661 k( 359) = ( 0.0431035 0.2737839 0.2406838), wk = 0.0020661 k( 360) = ( 0.0344828 0.2737839 0.2406838), wk = 0.0020661 k( 361) = ( 0.0258621 0.2737839 0.2406838), wk = 0.0020661 k( 362) = ( 0.0172414 0.2737839 0.2406838), wk = 0.0020661 k( 363) = ( 0.0086207 0.2737839 0.2406838), wk = 0.0020661 k( 364) = ( 0.0000000 0.2737839 0.2406838), wk = 0.0020661 k( 365) = ( 0.0000000 0.2737839 0.2406838), wk = 0.0020661 k( 366) = ( 0.0000000 0.2652282 0.2406838), wk = 0.0020661 k( 367) = ( 0.0000000 0.2566724 0.2406838), wk = 0.0020661 k( 368) = ( 0.0000000 0.2481167 0.2406838), wk = 0.0020661 k( 369) = ( 0.0000000 0.2395609 0.2406838), wk = 0.0020661 k( 370) = ( 0.0000000 0.2310052 0.2406838), wk = 0.0020661 k( 371) = ( 0.0000000 0.2224494 0.2406838), wk = 0.0020661 k( 372) = ( 0.0000000 0.2138937 0.2406838), wk = 0.0020661 k( 373) = ( 0.0000000 0.2053379 0.2406838), wk = 0.0020661 k( 374) = ( 0.0000000 0.1967822 0.2406838), wk = 0.0020661 k( 375) = ( 0.0000000 0.1882264 0.2406838), wk = 0.0020661 k( 376) = ( 0.0000000 0.1796707 0.2406838), wk = 0.0020661 k( 377) = ( 0.0000000 0.1711149 0.2406838), wk = 0.0020661 k( 378) = ( 0.0000000 0.1625592 0.2406838), wk = 0.0020661 k( 379) = ( 0.0000000 0.1540034 0.2406838), wk = 0.0020661 k( 380) = ( 0.0000000 0.1454477 0.2406838), wk = 0.0020661 k( 381) = ( 0.0000000 0.1368920 0.2406838), wk = 0.0020661 k( 382) = ( 0.0000000 0.1283362 0.2406838), wk = 0.0020661 k( 383) = ( 0.0000000 0.1197805 0.2406838), wk = 0.0020661 k( 384) = ( 0.0000000 0.1112247 0.2406838), wk = 0.0020661 k( 385) = ( 0.0000000 0.1026690 0.2406838), wk = 0.0020661 k( 386) = ( 0.0000000 0.0941132 0.2406838), wk = 0.0020661 k( 387) = ( 0.0000000 0.0855575 0.2406838), wk = 0.0020661 k( 388) = ( 0.0000000 0.0770017 0.2406838), wk = 0.0020661 k( 389) = ( 0.0000000 0.0684460 0.2406838), wk = 0.0020661 k( 390) = ( 0.0000000 0.0598902 0.2406838), wk = 0.0020661 k( 391) = ( 0.0000000 0.0513345 0.2406838), wk = 0.0020661 k( 392) = ( 0.0000000 0.0427787 0.2406838), wk = 0.0020661 k( 393) = ( 0.0000000 0.0342230 0.2406838), wk = 0.0020661 k( 394) = ( 0.0000000 0.0256672 0.2406838), wk = 0.0020661 k( 395) = ( 0.0000000 0.0171115 0.2406838), wk = 0.0020661 k( 396) = ( 0.0000000 0.0085557 0.2406838), wk = 0.0020661 k( 397) = ( 0.0000000 0.0000000 0.2406838), wk = 0.0020661 k( 398) = ( 0.0000000 0.2737839 -0.0000000), wk = 0.0020661 k( 399) = ( 0.0000000 0.2737839 0.0085958), wk = 0.0020661 k( 400) = ( 0.0000000 0.2737839 0.0171917), wk = 0.0020661 k( 401) = ( 0.0000000 0.2737839 0.0257875), wk = 0.0020661 k( 402) = ( 0.0000000 0.2737839 0.0343834), wk = 0.0020661 k( 403) = ( 0.0000000 0.2737839 0.0429792), wk = 0.0020661 k( 404) = ( 0.0000000 0.2737839 0.0515751), wk = 0.0020661 k( 405) = ( 0.0000000 0.2737839 0.0601709), wk = 0.0020661 k( 406) = ( 0.0000000 0.2737839 0.0687668), wk = 0.0020661 k( 407) = ( 0.0000000 0.2737839 0.0773626), wk = 0.0020661 k( 408) = ( 0.0000000 0.2737839 0.0859585), wk = 0.0020661 k( 409) = ( 0.0000000 0.2737839 0.0945543), wk = 0.0020661 k( 410) = ( 0.0000000 0.2737839 0.1031502), wk = 0.0020661 k( 411) = ( 0.0000000 0.2737839 0.1117460), wk = 0.0020661 k( 412) = ( 0.0000000 0.2737839 0.1203419), wk = 0.0020661 k( 413) = ( 0.0000000 0.2737839 0.1289377), wk = 0.0020661 k( 414) = ( 0.0000000 0.2737839 0.1375336), wk = 0.0020661 k( 415) = ( 0.0000000 0.2737839 0.1461294), wk = 0.0020661 k( 416) = ( 0.0000000 0.2737839 0.1547253), wk = 0.0020661 k( 417) = ( 0.0000000 0.2737839 0.1633211), wk = 0.0020661 k( 418) = ( 0.0000000 0.2737839 0.1719170), wk = 0.0020661 k( 419) = ( 0.0000000 0.2737839 0.1805128), wk = 0.0020661 k( 420) = ( 0.0000000 0.2737839 0.1891087), wk = 0.0020661 k( 421) = ( 0.0000000 0.2737839 0.1977045), wk = 0.0020661 k( 422) = ( 0.0000000 0.2737839 0.2063004), wk = 0.0020661 k( 423) = ( 0.0000000 0.2737839 0.2148962), wk = 0.0020661 k( 424) = ( 0.0000000 0.2737839 0.2234921), wk = 0.0020661 k( 425) = ( 0.0000000 0.2737839 0.2320879), wk = 0.0020661 k( 426) = ( 0.0000000 0.2737839 0.2406838), wk = 0.0020661 k( 427) = ( 0.5000000 -0.0000000 0.2406838), wk = 0.0020661 k( 428) = ( 0.5000000 -0.0000000 0.2320879), wk = 0.0020661 k( 429) = ( 0.5000000 -0.0000000 0.2234921), wk = 0.0020661 k( 430) = ( 0.5000000 -0.0000000 0.2148962), wk = 0.0020661 k( 431) = ( 0.5000000 -0.0000000 0.2063004), wk = 0.0020661 k( 432) = ( 0.5000000 -0.0000000 0.1977045), wk = 0.0020661 k( 433) = ( 0.5000000 -0.0000000 0.1891087), wk = 0.0020661 k( 434) = ( 0.5000000 -0.0000000 0.1805128), wk = 0.0020661 k( 435) = ( 0.5000000 -0.0000000 0.1719170), wk = 0.0020661 k( 436) = ( 0.5000000 -0.0000000 0.1633211), wk = 0.0020661 k( 437) = ( 0.5000000 -0.0000000 0.1547253), wk = 0.0020661 k( 438) = ( 0.5000000 -0.0000000 0.1461294), wk = 0.0020661 k( 439) = ( 0.5000000 -0.0000000 0.1375336), wk = 0.0020661 k( 440) = ( 0.5000000 -0.0000000 0.1289377), wk = 0.0020661 k( 441) = ( 0.5000000 -0.0000000 0.1203419), wk = 0.0020661 k( 442) = ( 0.5000000 -0.0000000 0.1117460), wk = 0.0020661 k( 443) = ( 0.5000000 -0.0000000 0.1031502), wk = 0.0020661 k( 444) = ( 0.5000000 -0.0000000 0.0945543), wk = 0.0020661 k( 445) = ( 0.5000000 -0.0000000 0.0859585), wk = 0.0020661 k( 446) = ( 0.5000000 -0.0000000 0.0773626), wk = 0.0020661 k( 447) = ( 0.5000000 -0.0000000 0.0687668), wk = 0.0020661 k( 448) = ( 0.5000000 -0.0000000 0.0601709), wk = 0.0020661 k( 449) = ( 0.5000000 -0.0000000 0.0515751), wk = 0.0020661 k( 450) = ( 0.5000000 -0.0000000 0.0429792), wk = 0.0020661 k( 451) = ( 0.5000000 -0.0000000 0.0343834), wk = 0.0020661 k( 452) = ( 0.5000000 -0.0000000 0.0257875), wk = 0.0020661 k( 453) = ( 0.5000000 -0.0000000 0.0171917), wk = 0.0020661 k( 454) = ( 0.5000000 -0.0000000 0.0085958), wk = 0.0020661 k( 455) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 456) = ( 0.5000000 0.2737839 -0.0000000), wk = 0.0020661 k( 457) = ( 0.5000000 0.2737839 0.0085958), wk = 0.0020661 k( 458) = ( 0.5000000 0.2737839 0.0171917), wk = 0.0020661 k( 459) = ( 0.5000000 0.2737839 0.0257875), wk = 0.0020661 k( 460) = ( 0.5000000 0.2737839 0.0343834), wk = 0.0020661 k( 461) = ( 0.5000000 0.2737839 0.0429792), wk = 0.0020661 k( 462) = ( 0.5000000 0.2737839 0.0515751), wk = 0.0020661 k( 463) = ( 0.5000000 0.2737839 0.0601709), wk = 0.0020661 k( 464) = ( 0.5000000 0.2737839 0.0687668), wk = 0.0020661 k( 465) = ( 0.5000000 0.2737839 0.0773626), wk = 0.0020661 k( 466) = ( 0.5000000 0.2737839 0.0859585), wk = 0.0020661 k( 467) = ( 0.5000000 0.2737839 0.0945543), wk = 0.0020661 k( 468) = ( 0.5000000 0.2737839 0.1031502), wk = 0.0020661 k( 469) = ( 0.5000000 0.2737839 0.1117460), wk = 0.0020661 k( 470) = ( 0.5000000 0.2737839 0.1203419), wk = 0.0020661 k( 471) = ( 0.5000000 0.2737839 0.1289377), wk = 0.0020661 k( 472) = ( 0.5000000 0.2737839 0.1375336), wk = 0.0020661 k( 473) = ( 0.5000000 0.2737839 0.1461294), wk = 0.0020661 k( 474) = ( 0.5000000 0.2737839 0.1547253), wk = 0.0020661 k( 475) = ( 0.5000000 0.2737839 0.1633211), wk = 0.0020661 k( 476) = ( 0.5000000 0.2737839 0.1719170), wk = 0.0020661 k( 477) = ( 0.5000000 0.2737839 0.1805128), wk = 0.0020661 k( 478) = ( 0.5000000 0.2737839 0.1891087), wk = 0.0020661 k( 479) = ( 0.5000000 0.2737839 0.1977045), wk = 0.0020661 k( 480) = ( 0.5000000 0.2737839 0.2063004), wk = 0.0020661 k( 481) = ( 0.5000000 0.2737839 0.2148962), wk = 0.0020661 k( 482) = ( 0.5000000 0.2737839 0.2234921), wk = 0.0020661 k( 483) = ( 0.5000000 0.2737839 0.2320879), wk = 0.0020661 k( 484) = ( 0.5000000 0.2737839 0.2406838), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0086207 0.0000000 0.0000000), wk = 0.0020661 k( 3) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0020661 k( 4) = ( 0.0258621 0.0000000 0.0000000), wk = 0.0020661 k( 5) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0020661 k( 6) = ( 0.0431035 0.0000000 0.0000000), wk = 0.0020661 k( 7) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0020661 k( 8) = ( 0.0603448 -0.0000000 0.0000000), wk = 0.0020661 k( 9) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0020661 k( 10) = ( 0.0775862 0.0000000 0.0000000), wk = 0.0020661 k( 11) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0020661 k( 12) = ( 0.0948276 0.0000000 0.0000000), wk = 0.0020661 k( 13) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0020661 k( 14) = ( 0.1120690 0.0000000 0.0000000), wk = 0.0020661 k( 15) = ( 0.1206897 -0.0000000 0.0000000), wk = 0.0020661 k( 16) = ( 0.1293103 0.0000000 0.0000000), wk = 0.0020661 k( 17) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0020661 k( 18) = ( 0.1465517 -0.0000000 0.0000000), wk = 0.0020661 k( 19) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0020661 k( 20) = ( 0.1637931 0.0000000 0.0000000), wk = 0.0020661 k( 21) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0020661 k( 22) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0020661 k( 23) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0020661 k( 24) = ( 0.1982759 0.0000000 0.0000000), wk = 0.0020661 k( 25) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0020661 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0020661 k( 27) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0020661 k( 28) = ( 0.2327586 0.0000000 0.0000000), wk = 0.0020661 k( 29) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0020661 k( 30) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020661 k( 31) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0020661 k( 32) = ( 0.2672414 0.0000000 0.0000000), wk = 0.0020661 k( 33) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0020661 k( 34) = ( 0.2844828 -0.0000000 0.0000000), wk = 0.0020661 k( 35) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0020661 k( 36) = ( 0.3017241 0.0000000 0.0000000), wk = 0.0020661 k( 37) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0020661 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0020661 k( 39) = ( 0.3275862 -0.0000000 0.0000000), wk = 0.0020661 k( 40) = ( 0.3362069 -0.0000000 0.0000000), wk = 0.0020661 k( 41) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0020661 k( 42) = ( 0.3534483 -0.0000000 0.0000000), wk = 0.0020661 k( 43) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0020661 k( 44) = ( 0.3706897 0.0000000 0.0000000), wk = 0.0020661 k( 45) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0020661 k( 46) = ( 0.3879310 0.0000000 0.0000000), wk = 0.0020661 k( 47) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0020661 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0020661 k( 49) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0020661 k( 50) = ( 0.4224138 0.0000000 0.0000000), wk = 0.0020661 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0020661 k( 52) = ( 0.4396552 -0.0000000 0.0000000), wk = 0.0020661 k( 53) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0020661 k( 54) = ( 0.4568966 -0.0000000 -0.0000000), wk = 0.0020661 k( 55) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0020661 k( 56) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0020661 k( 57) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0020661 k( 58) = ( 0.4913793 0.0000000 0.0000000), wk = 0.0020661 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 61) = ( 0.5000000 0.0156250 0.0000000), wk = 0.0020661 k( 62) = ( 0.5000000 0.0312500 0.0000000), wk = 0.0020661 k( 63) = ( 0.5000000 0.0468750 0.0000000), wk = 0.0020661 k( 64) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0020661 k( 65) = ( 0.5000000 0.0781250 0.0000000), wk = 0.0020661 k( 66) = ( 0.5000000 0.0937500 0.0000000), wk = 0.0020661 k( 67) = ( 0.5000000 0.1093750 0.0000000), wk = 0.0020661 k( 68) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0020661 k( 69) = ( 0.5000000 0.1406250 -0.0000000), wk = 0.0020661 k( 70) = ( 0.5000000 0.1562500 0.0000000), wk = 0.0020661 k( 71) = ( 0.5000000 0.1718750 0.0000000), wk = 0.0020661 k( 72) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0020661 k( 73) = ( 0.5000000 0.2031250 0.0000000), wk = 0.0020661 k( 74) = ( 0.5000000 0.2187500 0.0000000), wk = 0.0020661 k( 75) = ( 0.5000000 0.2343750 0.0000000), wk = 0.0020661 k( 76) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0020661 k( 77) = ( 0.5000000 0.2656250 0.0000000), wk = 0.0020661 k( 78) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0020661 k( 79) = ( 0.5000000 0.2968750 0.0000000), wk = 0.0020661 k( 80) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0020661 k( 81) = ( 0.5000000 0.3281250 0.0000000), wk = 0.0020661 k( 82) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0020661 k( 83) = ( 0.5000000 0.3593750 0.0000000), wk = 0.0020661 k( 84) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0020661 k( 85) = ( 0.5000000 0.3906250 0.0000000), wk = 0.0020661 k( 86) = ( 0.5000000 0.4062500 0.0000000), wk = 0.0020661 k( 87) = ( 0.5000000 0.4218750 0.0000000), wk = 0.0020661 k( 88) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0020661 k( 89) = ( 0.5000000 0.4531250 0.0000000), wk = 0.0020661 k( 90) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0020661 k( 91) = ( 0.5000000 0.4843750 0.0000000), wk = 0.0020661 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 94) = ( 0.4913793 0.5000000 0.0000000), wk = 0.0020661 k( 95) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0020661 k( 96) = ( 0.4741379 0.5000000 -0.0000000), wk = 0.0020661 k( 97) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0020661 k( 98) = ( 0.4568966 0.5000000 -0.0000000), wk = 0.0020661 k( 99) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0020661 k( 100) = ( 0.4396552 0.5000000 -0.0000000), wk = 0.0020661 k( 101) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0020661 k( 102) = ( 0.4224138 0.5000000 0.0000000), wk = 0.0020661 k( 103) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0020661 k( 104) = ( 0.4051724 0.5000000 0.0000000), wk = 0.0020661 k( 105) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0020661 k( 106) = ( 0.3879310 0.5000000 0.0000000), wk = 0.0020661 k( 107) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0020661 k( 108) = ( 0.3706897 0.5000000 -0.0000000), wk = 0.0020661 k( 109) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0020661 k( 110) = ( 0.3534483 0.5000000 0.0000000), wk = 0.0020661 k( 111) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0020661 k( 112) = ( 0.3362069 0.5000000 0.0000000), wk = 0.0020661 k( 113) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0020661 k( 114) = ( 0.3189655 0.5000000 0.0000000), wk = 0.0020661 k( 115) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0020661 k( 116) = ( 0.3017241 0.5000000 0.0000000), wk = 0.0020661 k( 117) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0020661 k( 118) = ( 0.2844828 0.5000000 0.0000000), wk = 0.0020661 k( 119) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0020661 k( 120) = ( 0.2672414 0.5000000 0.0000000), wk = 0.0020661 k( 121) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0020661 k( 122) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0020661 k( 123) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0020661 k( 124) = ( 0.2327586 0.5000000 0.0000000), wk = 0.0020661 k( 125) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0020661 k( 126) = ( 0.2155172 0.5000000 0.0000000), wk = 0.0020661 k( 127) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0020661 k( 128) = ( 0.1982759 0.5000000 0.0000000), wk = 0.0020661 k( 129) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0020661 k( 130) = ( 0.1810345 0.5000000 0.0000000), wk = 0.0020661 k( 131) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0020661 k( 132) = ( 0.1637931 0.5000000 0.0000000), wk = 0.0020661 k( 133) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0020661 k( 134) = ( 0.1465517 0.5000000 0.0000000), wk = 0.0020661 k( 135) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0020661 k( 136) = ( 0.1293103 0.5000000 0.0000000), wk = 0.0020661 k( 137) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0020661 k( 138) = ( 0.1120690 0.5000000 0.0000000), wk = 0.0020661 k( 139) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0020661 k( 140) = ( 0.0948276 0.5000000 0.0000000), wk = 0.0020661 k( 141) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0020661 k( 142) = ( 0.0775862 0.5000000 0.0000000), wk = 0.0020661 k( 143) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0020661 k( 144) = ( 0.0603448 0.5000000 0.0000000), wk = 0.0020661 k( 145) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0020661 k( 146) = ( 0.0431035 0.5000000 0.0000000), wk = 0.0020661 k( 147) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0020661 k( 148) = ( 0.0258621 0.5000000 0.0000000), wk = 0.0020661 k( 149) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0020661 k( 150) = ( 0.0086207 0.5000000 0.0000000), wk = 0.0020661 k( 151) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 152) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 153) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0020661 k( 154) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0020661 k( 155) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0020661 k( 156) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0020661 k( 157) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0020661 k( 158) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0020661 k( 159) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0020661 k( 160) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0020661 k( 161) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0020661 k( 162) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0020661 k( 163) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0020661 k( 164) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0020661 k( 165) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0020661 k( 166) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0020661 k( 167) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0020661 k( 168) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020661 k( 169) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0020661 k( 170) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0020661 k( 171) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0020661 k( 172) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0020661 k( 173) = ( 0.0000000 0.1718750 0.0000000), wk = 0.0020661 k( 174) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0020661 k( 175) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0020661 k( 176) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0020661 k( 177) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0020661 k( 178) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0020661 k( 179) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0020661 k( 180) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0020661 k( 181) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0020661 k( 182) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0020661 k( 183) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0020661 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 186) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0020661 k( 187) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 215) = ( 0.0086207 0.0000000 0.5000000), wk = 0.0020661 k( 216) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0020661 k( 217) = ( 0.0258621 0.0000000 0.5000000), wk = 0.0020661 k( 218) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0020661 k( 219) = ( 0.0431035 0.0000000 0.5000000), wk = 0.0020661 k( 220) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0020661 k( 221) = ( 0.0603448 -0.0000000 0.5000000), wk = 0.0020661 k( 222) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0020661 k( 223) = ( 0.0775862 0.0000000 0.5000000), wk = 0.0020661 k( 224) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0020661 k( 225) = ( 0.0948276 0.0000000 0.5000000), wk = 0.0020661 k( 226) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0020661 k( 227) = ( 0.1120690 0.0000000 0.5000000), wk = 0.0020661 k( 228) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0020661 k( 229) = ( 0.1293103 0.0000000 0.5000000), wk = 0.0020661 k( 230) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0020661 k( 231) = ( 0.1465517 -0.0000000 0.5000000), wk = 0.0020661 k( 232) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0020661 k( 233) = ( 0.1637931 0.0000000 0.5000000), wk = 0.0020661 k( 234) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0020661 k( 235) = ( 0.1810345 0.0000000 0.5000000), wk = 0.0020661 k( 236) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0020661 k( 237) = ( 0.1982759 0.0000000 0.5000000), wk = 0.0020661 k( 238) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0020661 k( 239) = ( 0.2155172 0.0000000 0.5000000), wk = 0.0020661 k( 240) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0020661 k( 241) = ( 0.2327586 0.0000000 0.5000000), wk = 0.0020661 k( 242) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0020661 k( 243) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020661 k( 244) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0020661 k( 245) = ( 0.2672414 0.0000000 0.5000000), wk = 0.0020661 k( 246) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0020661 k( 247) = ( 0.2844828 -0.0000000 0.5000000), wk = 0.0020661 k( 248) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0020661 k( 249) = ( 0.3017241 0.0000000 0.5000000), wk = 0.0020661 k( 250) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0020661 k( 251) = ( 0.3189655 0.0000000 0.5000000), wk = 0.0020661 k( 252) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0020661 k( 253) = ( 0.3362069 -0.0000000 0.5000000), wk = 0.0020661 k( 254) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0020661 k( 255) = ( 0.3534483 -0.0000000 0.5000000), wk = 0.0020661 k( 256) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0020661 k( 257) = ( 0.3706897 0.0000000 0.5000000), wk = 0.0020661 k( 258) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0020661 k( 259) = ( 0.3879310 0.0000000 0.5000000), wk = 0.0020661 k( 260) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0020661 k( 261) = ( 0.4051724 0.0000000 0.5000000), wk = 0.0020661 k( 262) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0020661 k( 263) = ( 0.4224138 0.0000000 0.5000000), wk = 0.0020661 k( 264) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0020661 k( 265) = ( 0.4396552 -0.0000000 0.5000000), wk = 0.0020661 k( 266) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0020661 k( 267) = ( 0.4568966 -0.0000000 0.5000000), wk = 0.0020661 k( 268) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0020661 k( 269) = ( 0.4741379 0.0000000 0.5000000), wk = 0.0020661 k( 270) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0020661 k( 271) = ( 0.4913793 0.0000000 0.5000000), wk = 0.0020661 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 274) = ( 0.5000000 0.0156250 0.5000000), wk = 0.0020661 k( 275) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0020661 k( 276) = ( 0.5000000 0.0468750 0.5000000), wk = 0.0020661 k( 277) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0020661 k( 278) = ( 0.5000000 0.0781250 0.5000000), wk = 0.0020661 k( 279) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0020661 k( 280) = ( 0.5000000 0.1093750 0.5000000), wk = 0.0020661 k( 281) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0020661 k( 282) = ( 0.5000000 0.1406250 0.5000000), wk = 0.0020661 k( 283) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0020661 k( 284) = ( 0.5000000 0.1718750 0.5000000), wk = 0.0020661 k( 285) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0020661 k( 286) = ( 0.5000000 0.2031250 0.5000000), wk = 0.0020661 k( 287) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0020661 k( 288) = ( 0.5000000 0.2343750 0.5000000), wk = 0.0020661 k( 289) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0020661 k( 290) = ( 0.5000000 0.2656250 0.5000000), wk = 0.0020661 k( 291) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0020661 k( 292) = ( 0.5000000 0.2968750 0.5000000), wk = 0.0020661 k( 293) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0020661 k( 294) = ( 0.5000000 0.3281250 0.5000000), wk = 0.0020661 k( 295) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0020661 k( 296) = ( 0.5000000 0.3593750 0.5000000), wk = 0.0020661 k( 297) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0020661 k( 298) = ( 0.5000000 0.3906250 0.5000000), wk = 0.0020661 k( 299) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0020661 k( 300) = ( 0.5000000 0.4218750 0.5000000), wk = 0.0020661 k( 301) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0020661 k( 302) = ( 0.5000000 0.4531250 0.5000000), wk = 0.0020661 k( 303) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0020661 k( 304) = ( 0.5000000 0.4843750 0.5000000), wk = 0.0020661 k( 305) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 307) = ( 0.4913793 0.5000000 0.5000000), wk = 0.0020661 k( 308) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0020661 k( 309) = ( 0.4741379 0.5000000 0.5000000), wk = 0.0020661 k( 310) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0020661 k( 311) = ( 0.4568966 0.5000000 0.5000000), wk = 0.0020661 k( 312) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0020661 k( 313) = ( 0.4396552 0.5000000 0.5000000), wk = 0.0020661 k( 314) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0020661 k( 315) = ( 0.4224138 0.5000000 0.5000000), wk = 0.0020661 k( 316) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0020661 k( 317) = ( 0.4051724 0.5000000 0.5000000), wk = 0.0020661 k( 318) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0020661 k( 319) = ( 0.3879310 0.5000000 0.5000000), wk = 0.0020661 k( 320) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0020661 k( 321) = ( 0.3706897 0.5000000 0.5000000), wk = 0.0020661 k( 322) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0020661 k( 323) = ( 0.3534483 0.5000000 0.5000000), wk = 0.0020661 k( 324) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0020661 k( 325) = ( 0.3362069 0.5000000 0.5000000), wk = 0.0020661 k( 326) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0020661 k( 327) = ( 0.3189655 0.5000000 0.5000000), wk = 0.0020661 k( 328) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0020661 k( 329) = ( 0.3017241 0.5000000 0.5000000), wk = 0.0020661 k( 330) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0020661 k( 331) = ( 0.2844828 0.5000000 0.5000000), wk = 0.0020661 k( 332) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0020661 k( 333) = ( 0.2672414 0.5000000 0.5000000), wk = 0.0020661 k( 334) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0020661 k( 335) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020661 k( 336) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0020661 k( 337) = ( 0.2327586 0.5000000 0.5000000), wk = 0.0020661 k( 338) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0020661 k( 339) = ( 0.2155172 0.5000000 0.5000000), wk = 0.0020661 k( 340) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0020661 k( 341) = ( 0.1982759 0.5000000 0.5000000), wk = 0.0020661 k( 342) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0020661 k( 343) = ( 0.1810345 0.5000000 0.5000000), wk = 0.0020661 k( 344) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0020661 k( 345) = ( 0.1637931 0.5000000 0.5000000), wk = 0.0020661 k( 346) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0020661 k( 347) = ( 0.1465517 0.5000000 0.5000000), wk = 0.0020661 k( 348) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0020661 k( 349) = ( 0.1293103 0.5000000 0.5000000), wk = 0.0020661 k( 350) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0020661 k( 351) = ( 0.1120690 0.5000000 0.5000000), wk = 0.0020661 k( 352) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0020661 k( 353) = ( 0.0948276 0.5000000 0.5000000), wk = 0.0020661 k( 354) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0020661 k( 355) = ( 0.0775862 0.5000000 0.5000000), wk = 0.0020661 k( 356) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0020661 k( 357) = ( 0.0603448 0.5000000 0.5000000), wk = 0.0020661 k( 358) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0020661 k( 359) = ( 0.0431035 0.5000000 0.5000000), wk = 0.0020661 k( 360) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0020661 k( 361) = ( 0.0258621 0.5000000 0.5000000), wk = 0.0020661 k( 362) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0020661 k( 363) = ( 0.0086207 0.5000000 0.5000000), wk = 0.0020661 k( 364) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 365) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 366) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0020661 k( 367) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0020661 k( 368) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0020661 k( 369) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0020661 k( 370) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0020661 k( 371) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0020661 k( 372) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0020661 k( 373) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0020661 k( 374) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0020661 k( 375) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0020661 k( 376) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0020661 k( 377) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0020661 k( 378) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0020661 k( 379) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0020661 k( 380) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0020661 k( 381) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020661 k( 382) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0020661 k( 383) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0020661 k( 384) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0020661 k( 385) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0020661 k( 386) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0020661 k( 387) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0020661 k( 388) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0020661 k( 389) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0020661 k( 390) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0020661 k( 391) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0020661 k( 392) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0020661 k( 393) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0020661 k( 394) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0020661 k( 395) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0020661 k( 396) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0020661 k( 397) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 398) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 399) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0020661 k( 400) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0020661 k( 401) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0020661 k( 402) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020661 k( 403) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0020661 k( 404) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0020661 k( 405) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020661 k( 406) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020661 k( 407) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0020661 k( 408) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0020661 k( 409) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0020661 k( 410) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020661 k( 411) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0020661 k( 412) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020661 k( 413) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0020661 k( 414) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020661 k( 415) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0020661 k( 416) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0020661 k( 417) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0020661 k( 418) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020661 k( 419) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020661 k( 420) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0020661 k( 421) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0020661 k( 422) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020661 k( 423) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0020661 k( 424) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0020661 k( 425) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0020661 k( 426) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 427) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 428) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0020661 k( 429) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0020661 k( 430) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0020661 k( 431) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0020661 k( 432) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0020661 k( 433) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0020661 k( 434) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020661 k( 435) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0020661 k( 436) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0020661 k( 437) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0020661 k( 438) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0020661 k( 439) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0020661 k( 440) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0020661 k( 441) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020661 k( 442) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0020661 k( 443) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0020661 k( 444) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0020661 k( 445) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0020661 k( 446) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0020661 k( 447) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0020661 k( 448) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020661 k( 449) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0020661 k( 450) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0020661 k( 451) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0020661 k( 452) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0020661 k( 453) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0020661 k( 454) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0020661 k( 455) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 456) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 457) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0020661 k( 458) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0020661 k( 459) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0020661 k( 460) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0020661 k( 461) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0020661 k( 462) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0020661 k( 463) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0020661 k( 464) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0020661 k( 465) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0020661 k( 466) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0020661 k( 467) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0020661 k( 468) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0020661 k( 469) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0020661 k( 470) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0020661 k( 471) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0020661 k( 472) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0020661 k( 473) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0020661 k( 474) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0020661 k( 475) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0020661 k( 476) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0020661 k( 477) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0020661 k( 478) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0020661 k( 479) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0020661 k( 480) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0020661 k( 481) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0020661 k( 482) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0020661 k( 483) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0020661 k( 484) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 Dense grid: 32083 G-vectors FFT dimensions: ( 25, 48, 54) Smooth grid: 21745 G-vectors FFT dimensions: ( 24, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 194, 44) NL pseudopotentials 0.18 Mb ( 97, 124) Each V/rho on FFT grid 0.04 Mb ( 2400) Each G-vector array 0.01 Mb ( 1005) G-vector shells 0.00 Mb ( 517) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 194, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./FeP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.3 secs Computing kpt #: 13 total cpu time spent up to now is 10.9 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.3 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.7 secs Computing kpt #: 18 total cpu time spent up to now is 14.4 secs Computing kpt #: 19 total cpu time spent up to now is 15.0 secs Computing kpt #: 20 total cpu time spent up to now is 15.7 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.7 secs Computing kpt #: 24 total cpu time spent up to now is 18.3 secs Computing kpt #: 25 total cpu time spent up to now is 19.0 secs Computing kpt #: 26 total cpu time spent up to now is 19.6 secs Computing kpt #: 27 total cpu time spent up to now is 20.3 secs Computing kpt #: 28 total cpu time spent up to now is 21.0 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.3 secs Computing kpt #: 31 total cpu time spent up to now is 22.9 secs Computing kpt #: 32 total cpu time spent up to now is 23.6 secs Computing kpt #: 33 total cpu time spent up to now is 24.4 secs Computing kpt #: 34 total cpu time spent up to now is 25.1 secs Computing kpt #: 35 total cpu time spent up to now is 25.8 secs Computing kpt #: 36 total cpu time spent up to now is 26.6 secs Computing kpt #: 37 total cpu time spent up to now is 27.4 secs Computing kpt #: 38 total cpu time spent up to now is 28.2 secs Computing kpt #: 39 total cpu time spent up to now is 29.0 secs Computing kpt #: 40 total cpu time spent up to now is 29.8 secs Computing kpt #: 41 total cpu time spent up to now is 30.6 secs Computing kpt #: 42 total cpu time spent up to now is 31.4 secs Computing kpt #: 43 total cpu time spent up to now is 32.4 secs Computing kpt #: 44 total cpu time spent up to now is 33.3 secs Computing kpt #: 45 total cpu time spent up to now is 34.2 secs Computing kpt #: 46 total cpu time spent up to now is 35.2 secs Computing kpt #: 47 total cpu time spent up to now is 36.2 secs Computing kpt #: 48 total cpu time spent up to now is 37.1 secs Computing kpt #: 49 total cpu time spent up to now is 38.1 secs Computing kpt #: 50 total cpu time spent up to now is 39.1 secs Computing kpt #: 51 total cpu time spent up to now is 40.5 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.8 secs Computing kpt #: 53 total cpu time spent up to now is 42.9 secs Computing kpt #: 54 total cpu time spent up to now is 44.0 secs Computing kpt #: 55 total cpu time spent up to now is 44.8 secs Computing kpt #: 56 total cpu time spent up to now is 45.6 secs Computing kpt #: 57 total cpu time spent up to now is 46.2 secs Computing kpt #: 58 total cpu time spent up to now is 46.9 secs Computing kpt #: 59 total cpu time spent up to now is 47.6 secs Computing kpt #: 60 total cpu time spent up to now is 48.2 secs Computing kpt #: 61 total cpu time spent up to now is 48.9 secs Computing kpt #: 62 total cpu time spent up to now is 49.7 secs Computing kpt #: 63 total cpu time spent up to now is 50.3 secs Computing kpt #: 64 total cpu time spent up to now is 51.0 secs Computing kpt #: 65 total cpu time spent up to now is 51.7 secs Computing kpt #: 66 total cpu time spent up to now is 52.4 secs Computing kpt #: 67 total cpu time spent up to now is 53.1 secs Computing kpt #: 68 total cpu time spent up to now is 53.8 secs Computing kpt #: 69 total cpu time spent up to now is 54.4 secs Computing kpt #: 70 total cpu time spent up to now is 55.1 secs Computing kpt #: 71 total cpu time spent up to now is 55.8 secs Computing kpt #: 72 total cpu time spent up to now is 56.4 secs Computing kpt #: 73 total cpu time spent up to now is 57.1 secs Computing kpt #: 74 total cpu time spent up to now is 57.7 secs Computing kpt #: 75 total cpu time spent up to now is 58.4 secs Computing kpt #: 76 total cpu time spent up to now is 59.0 secs Computing kpt #: 77 total cpu time spent up to now is 59.7 secs Computing kpt #: 78 total cpu time spent up to now is 60.3 secs Computing kpt #: 79 total cpu time spent up to now is 60.9 secs Computing kpt #: 80 total cpu time spent up to now is 61.6 secs Computing kpt #: 81 total cpu time spent up to now is 62.2 secs Computing kpt #: 82 total cpu time spent up to now is 62.8 secs Computing kpt #: 83 total cpu time spent up to now is 63.4 secs Computing kpt #: 84 total cpu time spent up to now is 64.0 secs Computing kpt #: 85 total cpu time spent up to now is 64.6 secs Computing kpt #: 86 total cpu time spent up to now is 65.2 secs Computing kpt #: 87 total cpu time spent up to now is 65.9 secs Computing kpt #: 88 total cpu time spent up to now is 66.5 secs Computing kpt #: 89 total cpu time spent up to now is 67.0 secs Computing kpt #: 90 total cpu time spent up to now is 67.6 secs Computing kpt #: 91 total cpu time spent up to now is 68.2 secs Computing kpt #: 92 total cpu time spent up to now is 68.8 secs Computing kpt #: 93 total cpu time spent up to now is 69.4 secs Computing kpt #: 94 total cpu time spent up to now is 70.0 secs Computing kpt #: 95 total cpu time spent up to now is 70.5 secs Computing kpt #: 96 total cpu time spent up to now is 71.1 secs Computing kpt #: 97 total cpu time spent up to now is 71.7 secs Computing kpt #: 98 total cpu time spent up to now is 72.3 secs Computing kpt #: 99 total cpu time spent up to now is 72.9 secs Computing kpt #: 100 total cpu time spent up to now is 73.5 secs Computing kpt #: 101 total cpu time spent up to now is 74.1 secs Computing kpt #: 102 total cpu time spent up to now is 74.7 secs Computing kpt #: 103 total cpu time spent up to now is 75.3 secs Computing kpt #: 104 total cpu time spent up to now is 75.9 secs Computing kpt #: 105 total cpu time spent up to now is 76.5 secs Computing kpt #: 106 total cpu time spent up to now is 77.1 secs Computing kpt #: 107 total cpu time spent up to now is 77.7 secs Computing kpt #: 108 total cpu time spent up to now is 78.3 secs Computing kpt #: 109 total cpu time spent up to now is 78.9 secs Computing kpt #: 110 total cpu time spent up to now is 79.5 secs Computing kpt #: 111 total cpu time spent up to now is 80.2 secs Computing kpt #: 112 total cpu time spent up to now is 80.8 secs Computing kpt #: 113 total cpu time spent up to now is 81.5 secs Computing kpt #: 114 total cpu time spent up to now is 82.1 secs Computing kpt #: 115 total cpu time spent up to now is 82.8 secs Computing kpt #: 116 total cpu time spent up to now is 83.4 secs Computing kpt #: 117 total cpu time spent up to now is 84.0 secs Computing kpt #: 118 total cpu time spent up to now is 84.7 secs Computing kpt #: 119 total cpu time spent up to now is 85.3 secs Computing kpt #: 120 total cpu time spent up to now is 86.0 secs Computing kpt #: 121 total cpu time spent up to now is 86.6 secs Computing kpt #: 122 total cpu time spent up to now is 87.2 secs Computing kpt #: 123 total cpu time spent up to now is 87.9 secs Computing kpt #: 124 total cpu time spent up to now is 88.5 secs Computing kpt #: 125 total cpu time spent up to now is 89.2 secs Computing kpt #: 126 total cpu time spent up to now is 89.8 secs Computing kpt #: 127 total cpu time spent up to now is 90.5 secs Computing kpt #: 128 total cpu time spent up to now is 91.1 secs Computing kpt #: 129 total cpu time spent up to now is 91.7 secs Computing kpt #: 130 total cpu time spent up to now is 92.4 secs Computing kpt #: 131 total cpu time spent up to now is 93.0 secs Computing kpt #: 132 total cpu time spent up to now is 93.7 secs Computing kpt #: 133 total cpu time spent up to now is 94.4 secs Computing kpt #: 134 total cpu time spent up to now is 95.0 secs Computing kpt #: 135 total cpu time spent up to now is 95.7 secs Computing kpt #: 136 total cpu time spent up to now is 96.4 secs Computing kpt #: 137 total cpu time spent up to now is 97.1 secs Computing kpt #: 138 total cpu time spent up to now is 97.8 secs Computing kpt #: 139 total cpu time spent up to now is 98.5 secs Computing kpt #: 140 total cpu time spent up to now is 99.3 secs Computing kpt #: 141 total cpu time spent up to now is 100.1 secs Computing kpt #: 142 total cpu time spent up to now is 100.8 secs Computing kpt #: 143 total cpu time spent up to now is 101.6 secs Computing kpt #: 144 total cpu time spent up to now is 102.3 secs Computing kpt #: 145 total cpu time spent up to now is 103.1 secs Computing kpt #: 146 total cpu time spent up to now is 103.9 secs Computing kpt #: 147 total cpu time spent up to now is 104.8 secs Computing kpt #: 148 total cpu time spent up to now is 105.8 secs Computing kpt #: 149 total cpu time spent up to now is 106.8 secs Computing kpt #: 150 total cpu time spent up to now is 107.8 secs Computing kpt #: 151 total cpu time spent up to now is 108.8 secs Computing kpt #: 152 total cpu time spent up to now is 109.8 secs Computing kpt #: 153 total cpu time spent up to now is 110.8 secs Computing kpt #: 154 total cpu time spent up to now is 111.8 secs Computing kpt #: 155 total cpu time spent up to now is 112.7 secs Computing kpt #: 156 total cpu time spent up to now is 113.7 secs Computing kpt #: 157 total cpu time spent up to now is 114.6 secs Computing kpt #: 158 total cpu time spent up to now is 115.9 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.3 secs Computing kpt #: 160 total cpu time spent up to now is 118.2 secs Computing kpt #: 161 total cpu time spent up to now is 119.1 secs Computing kpt #: 162 total cpu time spent up to now is 120.0 secs Computing kpt #: 163 total cpu time spent up to now is 120.8 secs Computing kpt #: 164 total cpu time spent up to now is 121.7 secs Computing kpt #: 165 total cpu time spent up to now is 122.6 secs Computing kpt #: 166 total cpu time spent up to now is 123.4 secs Computing kpt #: 167 total cpu time spent up to now is 124.4 secs Computing kpt #: 168 total cpu time spent up to now is 125.4 secs Computing kpt #: 169 total cpu time spent up to now is 126.4 secs Computing kpt #: 170 total cpu time spent up to now is 127.3 secs Computing kpt #: 171 total cpu time spent up to now is 128.4 secs Computing kpt #: 172 total cpu time spent up to now is 129.5 secs Computing kpt #: 173 total cpu time spent up to now is 130.4 secs Computing kpt #: 174 total cpu time spent up to now is 131.2 secs Computing kpt #: 175 total cpu time spent up to now is 132.0 secs Computing kpt #: 176 total cpu time spent up to now is 132.8 secs Computing kpt #: 177 total cpu time spent up to now is 133.6 secs Computing kpt #: 178 total cpu time spent up to now is 134.3 secs Computing kpt #: 179 total cpu time spent up to now is 135.0 secs Computing kpt #: 180 total cpu time spent up to now is 135.7 secs Computing kpt #: 181 total cpu time spent up to now is 136.4 secs Computing kpt #: 182 total cpu time spent up to now is 137.1 secs Computing kpt #: 183 total cpu time spent up to now is 137.8 secs Computing kpt #: 184 total cpu time spent up to now is 138.5 secs Computing kpt #: 185 total cpu time spent up to now is 139.2 secs Computing kpt #: 186 total cpu time spent up to now is 139.9 secs Computing kpt #: 187 total cpu time spent up to now is 140.7 secs Computing kpt #: 188 total cpu time spent up to now is 141.4 secs Computing kpt #: 189 total cpu time spent up to now is 142.2 secs Computing kpt #: 190 total cpu time spent up to now is 143.0 secs Computing kpt #: 191 total cpu time spent up to now is 143.7 secs Computing kpt #: 192 total cpu time spent up to now is 144.5 secs Computing kpt #: 193 total cpu time spent up to now is 145.3 secs Computing kpt #: 194 total cpu time spent up to now is 146.1 secs Computing kpt #: 195 total cpu time spent up to now is 146.9 secs Computing kpt #: 196 total cpu time spent up to now is 147.9 secs Computing kpt #: 197 total cpu time spent up to now is 149.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.5 secs Computing kpt #: 199 total cpu time spent up to now is 151.7 secs Computing kpt #: 200 total cpu time spent up to now is 152.8 secs Computing kpt #: 201 total cpu time spent up to now is 153.7 secs Computing kpt #: 202 total cpu time spent up to now is 154.8 secs Computing kpt #: 203 total cpu time spent up to now is 155.6 secs Computing kpt #: 204 total cpu time spent up to now is 156.4 secs Computing kpt #: 205 total cpu time spent up to now is 157.2 secs Computing kpt #: 206 total cpu time spent up to now is 158.0 secs Computing kpt #: 207 total cpu time spent up to now is 158.8 secs Computing kpt #: 208 total cpu time spent up to now is 159.6 secs Computing kpt #: 209 total cpu time spent up to now is 160.4 secs Computing kpt #: 210 total cpu time spent up to now is 161.2 secs Computing kpt #: 211 total cpu time spent up to now is 162.0 secs Computing kpt #: 212 total cpu time spent up to now is 162.9 secs Computing kpt #: 213 total cpu time spent up to now is 163.7 secs Computing kpt #: 214 total cpu time spent up to now is 164.5 secs Computing kpt #: 215 total cpu time spent up to now is 165.4 secs Computing kpt #: 216 total cpu time spent up to now is 166.2 secs Computing kpt #: 217 total cpu time spent up to now is 167.0 secs Computing kpt #: 218 total cpu time spent up to now is 167.7 secs Computing kpt #: 219 total cpu time spent up to now is 168.5 secs Computing kpt #: 220 total cpu time spent up to now is 169.3 secs Computing kpt #: 221 total cpu time spent up to now is 170.0 secs Computing kpt #: 222 total cpu time spent up to now is 170.7 secs Computing kpt #: 223 total cpu time spent up to now is 171.5 secs Computing kpt #: 224 total cpu time spent up to now is 172.2 secs Computing kpt #: 225 total cpu time spent up to now is 172.9 secs Computing kpt #: 226 total cpu time spent up to now is 173.6 secs Computing kpt #: 227 total cpu time spent up to now is 174.3 secs Computing kpt #: 228 total cpu time spent up to now is 175.0 secs Computing kpt #: 229 total cpu time spent up to now is 175.6 secs Computing kpt #: 230 total cpu time spent up to now is 176.3 secs Computing kpt #: 231 total cpu time spent up to now is 177.0 secs Computing kpt #: 232 total cpu time spent up to now is 177.6 secs Computing kpt #: 233 total cpu time spent up to now is 178.3 secs Computing kpt #: 234 total cpu time spent up to now is 178.9 secs Computing kpt #: 235 total cpu time spent up to now is 179.6 secs Computing kpt #: 236 total cpu time spent up to now is 180.3 secs Computing kpt #: 237 total cpu time spent up to now is 180.9 secs Computing kpt #: 238 total cpu time spent up to now is 181.6 secs Computing kpt #: 239 total cpu time spent up to now is 182.3 secs Computing kpt #: 240 total cpu time spent up to now is 183.1 secs Computing kpt #: 241 total cpu time spent up to now is 183.8 secs Computing kpt #: 242 total cpu time spent up to now is 184.7 secs Computing kpt #: 243 total cpu time spent up to now is 185.5 secs Computing kpt #: 244 total cpu time spent up to now is 186.3 secs Computing kpt #: 245 total cpu time spent up to now is 187.1 secs Computing kpt #: 246 total cpu time spent up to now is 187.8 secs Computing kpt #: 247 total cpu time spent up to now is 188.5 secs Computing kpt #: 248 total cpu time spent up to now is 189.2 secs Computing kpt #: 249 total cpu time spent up to now is 189.8 secs Computing kpt #: 250 total cpu time spent up to now is 190.5 secs Computing kpt #: 251 total cpu time spent up to now is 191.1 secs Computing kpt #: 252 total cpu time spent up to now is 191.8 secs Computing kpt #: 253 total cpu time spent up to now is 192.5 secs Computing kpt #: 254 total cpu time spent up to now is 193.1 secs Computing kpt #: 255 total cpu time spent up to now is 193.8 secs Computing kpt #: 256 total cpu time spent up to now is 194.5 secs Computing kpt #: 257 total cpu time spent up to now is 195.2 secs Computing kpt #: 258 total cpu time spent up to now is 195.9 secs Computing kpt #: 259 total cpu time spent up to now is 196.6 secs Computing kpt #: 260 total cpu time spent up to now is 197.2 secs Computing kpt #: 261 total cpu time spent up to now is 197.9 secs Computing kpt #: 262 total cpu time spent up to now is 198.6 secs Computing kpt #: 263 total cpu time spent up to now is 199.3 secs Computing kpt #: 264 total cpu time spent up to now is 200.0 secs Computing kpt #: 265 total cpu time spent up to now is 200.7 secs Computing kpt #: 266 total cpu time spent up to now is 201.4 secs Computing kpt #: 267 total cpu time spent up to now is 202.1 secs Computing kpt #: 268 total cpu time spent up to now is 202.7 secs Computing kpt #: 269 total cpu time spent up to now is 203.4 secs Computing kpt #: 270 total cpu time spent up to now is 204.1 secs Computing kpt #: 271 total cpu time spent up to now is 204.7 secs Computing kpt #: 272 total cpu time spent up to now is 205.4 secs Computing kpt #: 273 total cpu time spent up to now is 206.0 secs Computing kpt #: 274 total cpu time spent up to now is 206.7 secs Computing kpt #: 275 total cpu time spent up to now is 207.3 secs Computing kpt #: 276 total cpu time spent up to now is 208.0 secs Computing kpt #: 277 total cpu time spent up to now is 208.6 secs Computing kpt #: 278 total cpu time spent up to now is 209.2 secs Computing kpt #: 279 total cpu time spent up to now is 209.9 secs Computing kpt #: 280 total cpu time spent up to now is 210.5 secs Computing kpt #: 281 total cpu time spent up to now is 211.2 secs Computing kpt #: 282 total cpu time spent up to now is 211.8 secs Computing kpt #: 283 total cpu time spent up to now is 212.5 secs Computing kpt #: 284 total cpu time spent up to now is 213.1 secs Computing kpt #: 285 total cpu time spent up to now is 213.8 secs Computing kpt #: 286 total cpu time spent up to now is 214.4 secs Computing kpt #: 287 total cpu time spent up to now is 215.1 secs Computing kpt #: 288 total cpu time spent up to now is 215.7 secs Computing kpt #: 289 total cpu time spent up to now is 216.4 secs Computing kpt #: 290 total cpu time spent up to now is 217.0 secs Computing kpt #: 291 total cpu time spent up to now is 217.7 secs Computing kpt #: 292 total cpu time spent up to now is 218.3 secs Computing kpt #: 293 total cpu time spent up to now is 219.0 secs Computing kpt #: 294 total cpu time spent up to now is 219.6 secs Computing kpt #: 295 total cpu time spent up to now is 220.3 secs Computing kpt #: 296 total cpu time spent up to now is 221.0 secs Computing kpt #: 297 total cpu time spent up to now is 221.6 secs Computing kpt #: 298 total cpu time spent up to now is 222.3 secs Computing kpt #: 299 total cpu time spent up to now is 222.9 secs Computing kpt #: 300 total cpu time spent up to now is 223.5 secs Computing kpt #: 301 total cpu time spent up to now is 224.2 secs Computing kpt #: 302 total cpu time spent up to now is 224.8 secs Computing kpt #: 303 total cpu time spent up to now is 225.5 secs Computing kpt #: 304 total cpu time spent up to now is 226.1 secs Computing kpt #: 305 total cpu time spent up to now is 226.7 secs Computing kpt #: 306 total cpu time spent up to now is 227.4 secs Computing kpt #: 307 total cpu time spent up to now is 228.0 secs Computing kpt #: 308 total cpu time spent up to now is 228.7 secs Computing kpt #: 309 total cpu time spent up to now is 229.3 secs Computing kpt #: 310 total cpu time spent up to now is 230.0 secs Computing kpt #: 311 total cpu time spent up to now is 230.6 secs Computing kpt #: 312 total cpu time spent up to now is 231.2 secs Computing kpt #: 313 total cpu time spent up to now is 231.9 secs Computing kpt #: 314 total cpu time spent up to now is 232.5 secs Computing kpt #: 315 total cpu time spent up to now is 233.1 secs Computing kpt #: 316 total cpu time spent up to now is 233.7 secs Computing kpt #: 317 total cpu time spent up to now is 234.4 secs Computing kpt #: 318 total cpu time spent up to now is 235.0 secs Computing kpt #: 319 total cpu time spent up to now is 235.6 secs Computing kpt #: 320 total cpu time spent up to now is 236.2 secs Computing kpt #: 321 total cpu time spent up to now is 236.8 secs Computing kpt #: 322 total cpu time spent up to now is 237.4 secs Computing kpt #: 323 total cpu time spent up to now is 238.1 secs Computing kpt #: 324 total cpu time spent up to now is 238.7 secs Computing kpt #: 325 total cpu time spent up to now is 239.3 secs Computing kpt #: 326 total cpu time spent up to now is 239.9 secs Computing kpt #: 327 total cpu time spent up to now is 240.5 secs Computing kpt #: 328 total cpu time spent up to now is 241.2 secs Computing kpt #: 329 total cpu time spent up to now is 241.8 secs Computing kpt #: 330 total cpu time spent up to now is 242.4 secs Computing kpt #: 331 total cpu time spent up to now is 243.1 secs Computing kpt #: 332 total cpu time spent up to now is 243.7 secs Computing kpt #: 333 total cpu time spent up to now is 244.4 secs Computing kpt #: 334 total cpu time spent up to now is 245.1 secs Computing kpt #: 335 total cpu time spent up to now is 245.8 secs Computing kpt #: 336 total cpu time spent up to now is 246.5 secs Computing kpt #: 337 total cpu time spent up to now is 247.2 secs Computing kpt #: 338 total cpu time spent up to now is 248.0 secs Computing kpt #: 339 total cpu time spent up to now is 248.7 secs Computing kpt #: 340 total cpu time spent up to now is 249.5 secs Computing kpt #: 341 total cpu time spent up to now is 250.3 secs Computing kpt #: 342 total cpu time spent up to now is 251.1 secs Computing kpt #: 343 total cpu time spent up to now is 252.0 secs Computing kpt #: 344 total cpu time spent up to now is 252.8 secs Computing kpt #: 345 total cpu time spent up to now is 253.6 secs Computing kpt #: 346 total cpu time spent up to now is 254.3 secs Computing kpt #: 347 total cpu time spent up to now is 255.1 secs Computing kpt #: 348 total cpu time spent up to now is 255.9 secs Computing kpt #: 349 total cpu time spent up to now is 256.6 secs Computing kpt #: 350 total cpu time spent up to now is 257.3 secs Computing kpt #: 351 total cpu time spent up to now is 258.0 secs Computing kpt #: 352 total cpu time spent up to now is 258.7 secs Computing kpt #: 353 total cpu time spent up to now is 259.4 secs Computing kpt #: 354 total cpu time spent up to now is 260.1 secs Computing kpt #: 355 total cpu time spent up to now is 260.9 secs Computing kpt #: 356 total cpu time spent up to now is 261.6 secs Computing kpt #: 357 total cpu time spent up to now is 262.4 secs Computing kpt #: 358 total cpu time spent up to now is 263.2 secs Computing kpt #: 359 total cpu time spent up to now is 264.0 secs Computing kpt #: 360 total cpu time spent up to now is 264.8 secs Computing kpt #: 361 total cpu time spent up to now is 265.7 secs Computing kpt #: 362 total cpu time spent up to now is 266.6 secs Computing kpt #: 363 total cpu time spent up to now is 267.6 secs Computing kpt #: 364 total cpu time spent up to now is 268.6 secs Computing kpt #: 365 total cpu time spent up to now is 269.7 secs Computing kpt #: 366 total cpu time spent up to now is 270.7 secs Computing kpt #: 367 total cpu time spent up to now is 271.6 secs Computing kpt #: 368 total cpu time spent up to now is 272.4 secs Computing kpt #: 369 total cpu time spent up to now is 273.2 secs Computing kpt #: 370 total cpu time spent up to now is 274.0 secs Computing kpt #: 371 total cpu time spent up to now is 274.7 secs Computing kpt #: 372 total cpu time spent up to now is 275.4 secs Computing kpt #: 373 total cpu time spent up to now is 276.1 secs Computing kpt #: 374 total cpu time spent up to now is 276.8 secs Computing kpt #: 375 total cpu time spent up to now is 277.4 secs Computing kpt #: 376 total cpu time spent up to now is 278.1 secs Computing kpt #: 377 total cpu time spent up to now is 278.7 secs Computing kpt #: 378 total cpu time spent up to now is 279.4 secs Computing kpt #: 379 total cpu time spent up to now is 280.0 secs Computing kpt #: 380 total cpu time spent up to now is 280.7 secs Computing kpt #: 381 total cpu time spent up to now is 281.3 secs Computing kpt #: 382 total cpu time spent up to now is 282.0 secs Computing kpt #: 383 total cpu time spent up to now is 282.6 secs Computing kpt #: 384 total cpu time spent up to now is 283.3 secs Computing kpt #: 385 total cpu time spent up to now is 284.0 secs Computing kpt #: 386 total cpu time spent up to now is 284.7 secs Computing kpt #: 387 total cpu time spent up to now is 285.4 secs Computing kpt #: 388 total cpu time spent up to now is 286.2 secs Computing kpt #: 389 total cpu time spent up to now is 286.9 secs Computing kpt #: 390 total cpu time spent up to now is 287.7 secs Computing kpt #: 391 total cpu time spent up to now is 288.5 secs Computing kpt #: 392 total cpu time spent up to now is 289.3 secs Computing kpt #: 393 total cpu time spent up to now is 290.2 secs Computing kpt #: 394 total cpu time spent up to now is 291.0 secs Computing kpt #: 395 total cpu time spent up to now is 291.9 secs Computing kpt #: 396 total cpu time spent up to now is 292.7 secs Computing kpt #: 397 total cpu time spent up to now is 293.5 secs Computing kpt #: 398 total cpu time spent up to now is 294.5 secs Computing kpt #: 399 total cpu time spent up to now is 295.5 secs Computing kpt #: 400 total cpu time spent up to now is 296.5 secs Computing kpt #: 401 total cpu time spent up to now is 297.6 secs Computing kpt #: 402 total cpu time spent up to now is 298.6 secs Computing kpt #: 403 total cpu time spent up to now is 299.6 secs Computing kpt #: 404 total cpu time spent up to now is 300.5 secs Computing kpt #: 405 total cpu time spent up to now is 301.3 secs Computing kpt #: 406 total cpu time spent up to now is 302.1 secs Computing kpt #: 407 total cpu time spent up to now is 302.8 secs Computing kpt #: 408 total cpu time spent up to now is 303.6 secs Computing kpt #: 409 total cpu time spent up to now is 304.3 secs Computing kpt #: 410 total cpu time spent up to now is 305.0 secs Computing kpt #: 411 total cpu time spent up to now is 305.7 secs Computing kpt #: 412 total cpu time spent up to now is 306.5 secs Computing kpt #: 413 total cpu time spent up to now is 307.2 secs Computing kpt #: 414 total cpu time spent up to now is 307.8 secs Computing kpt #: 415 total cpu time spent up to now is 308.6 secs Computing kpt #: 416 total cpu time spent up to now is 309.3 secs Computing kpt #: 417 total cpu time spent up to now is 310.1 secs Computing kpt #: 418 total cpu time spent up to now is 310.9 secs Computing kpt #: 419 total cpu time spent up to now is 311.7 secs Computing kpt #: 420 total cpu time spent up to now is 312.5 secs Computing kpt #: 421 total cpu time spent up to now is 313.4 secs Computing kpt #: 422 total cpu time spent up to now is 314.3 secs Computing kpt #: 423 total cpu time spent up to now is 315.2 secs Computing kpt #: 424 total cpu time spent up to now is 316.2 secs Computing kpt #: 425 total cpu time spent up to now is 317.2 secs Computing kpt #: 426 total cpu time spent up to now is 318.3 secs Computing kpt #: 427 total cpu time spent up to now is 318.9 secs Computing kpt #: 428 total cpu time spent up to now is 319.5 secs Computing kpt #: 429 total cpu time spent up to now is 320.2 secs Computing kpt #: 430 total cpu time spent up to now is 320.9 secs Computing kpt #: 431 total cpu time spent up to now is 321.6 secs Computing kpt #: 432 total cpu time spent up to now is 322.2 secs Computing kpt #: 433 total cpu time spent up to now is 322.9 secs Computing kpt #: 434 total cpu time spent up to now is 323.6 secs Computing kpt #: 435 total cpu time spent up to now is 324.3 secs Computing kpt #: 436 total cpu time spent up to now is 325.0 secs Computing kpt #: 437 total cpu time spent up to now is 325.8 secs Computing kpt #: 438 total cpu time spent up to now is 326.5 secs Computing kpt #: 439 total cpu time spent up to now is 327.2 secs Computing kpt #: 440 total cpu time spent up to now is 327.9 secs Computing kpt #: 441 total cpu time spent up to now is 328.7 secs Computing kpt #: 442 total cpu time spent up to now is 329.4 secs Computing kpt #: 443 total cpu time spent up to now is 330.1 secs Computing kpt #: 444 total cpu time spent up to now is 330.9 secs Computing kpt #: 445 total cpu time spent up to now is 331.6 secs Computing kpt #: 446 total cpu time spent up to now is 332.3 secs Computing kpt #: 447 total cpu time spent up to now is 333.1 secs Computing kpt #: 448 total cpu time spent up to now is 333.8 secs Computing kpt #: 449 total cpu time spent up to now is 334.5 secs Computing kpt #: 450 total cpu time spent up to now is 335.3 secs Computing kpt #: 451 total cpu time spent up to now is 336.0 secs Computing kpt #: 452 total cpu time spent up to now is 336.7 secs Computing kpt #: 453 total cpu time spent up to now is 337.5 secs Computing kpt #: 454 total cpu time spent up to now is 338.2 secs Computing kpt #: 455 total cpu time spent up to now is 338.8 secs Computing kpt #: 456 total cpu time spent up to now is 339.4 secs Computing kpt #: 457 total cpu time spent up to now is 340.0 secs Computing kpt #: 458 total cpu time spent up to now is 340.6 secs Computing kpt #: 459 total cpu time spent up to now is 341.2 secs Computing kpt #: 460 total cpu time spent up to now is 341.8 secs Computing kpt #: 461 total cpu time spent up to now is 342.4 secs Computing kpt #: 462 total cpu time spent up to now is 343.0 secs Computing kpt #: 463 total cpu time spent up to now is 343.6 secs Computing kpt #: 464 total cpu time spent up to now is 344.2 secs Computing kpt #: 465 total cpu time spent up to now is 344.9 secs Computing kpt #: 466 total cpu time spent up to now is 345.5 secs Computing kpt #: 467 total cpu time spent up to now is 346.1 secs Computing kpt #: 468 total cpu time spent up to now is 346.7 secs Computing kpt #: 469 total cpu time spent up to now is 347.3 secs Computing kpt #: 470 total cpu time spent up to now is 347.9 secs Computing kpt #: 471 total cpu time spent up to now is 348.5 secs Computing kpt #: 472 total cpu time spent up to now is 349.2 secs Computing kpt #: 473 total cpu time spent up to now is 349.8 secs Computing kpt #: 474 total cpu time spent up to now is 350.4 secs Computing kpt #: 475 total cpu time spent up to now is 351.0 secs Computing kpt #: 476 total cpu time spent up to now is 351.7 secs Computing kpt #: 477 total cpu time spent up to now is 352.3 secs Computing kpt #: 478 total cpu time spent up to now is 353.0 secs Computing kpt #: 479 total cpu time spent up to now is 353.6 secs Computing kpt #: 480 total cpu time spent up to now is 354.3 secs Computing kpt #: 481 total cpu time spent up to now is 354.9 secs Computing kpt #: 482 total cpu time spent up to now is 355.6 secs Computing kpt #: 483 total cpu time spent up to now is 356.2 secs Computing kpt #: 484 total cpu time spent up to now is 356.8 secs ethr = 2.78E-11, avg # of iterations = 36.4 total cpu time spent up to now is 356.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2737 PWs) bands (ev): -3.1019 -3.1019 -0.4220 -0.4220 1.2355 1.2355 1.8520 1.8520 5.0486 5.0486 6.0931 6.0931 7.3288 7.3288 7.3803 7.3803 8.2335 8.2335 8.5033 8.5033 9.7028 9.7028 10.1149 10.1149 10.3880 10.3880 10.4472 10.4472 10.9388 10.9388 11.2396 11.2396 11.4422 11.4422 11.5995 11.5995 13.8336 13.8336 14.1458 14.1458 16.1654 16.1654 16.3045 16.3045 k = 0.0086-0.0000-0.0000 ( 2733 PWs) bands (ev): -3.1005 -3.1005 -0.4207 -0.4207 1.2366 1.2366 1.8530 1.8530 5.0501 5.0501 6.0943 6.0943 7.3289 7.3289 7.3816 7.3816 8.2339 8.2339 8.5039 8.5039 9.7019 9.7019 10.1149 10.1149 10.3878 10.3878 10.4468 10.4468 10.9388 10.9388 11.2393 11.2393 11.4409 11.4409 11.5987 11.5987 13.8333 13.8333 14.1345 14.1345 16.1513 16.1513 16.3028 16.3028 k = 0.0172-0.0000-0.0000 ( 2733 PWs) bands (ev): -3.0964 -3.0964 -0.4171 -0.4171 1.2401 1.2401 1.8561 1.8561 5.0544 5.0544 6.0979 6.0979 7.3290 7.3290 7.3855 7.3855 8.2352 8.2352 8.5056 8.5056 9.6993 9.6993 10.1145 10.1145 10.3869 10.3869 10.4456 10.4456 10.9388 10.9388 11.2382 11.2382 11.4365 11.4365 11.5966 11.5966 13.8323 13.8323 14.1012 14.1012 16.1095 16.1095 16.2981 16.2981 k = 0.0259-0.0000-0.0000 ( 2735 PWs) bands (ev): -3.0895 -3.0895 -0.4111 -0.4111 1.2459 1.2459 1.8613 1.8613 5.0617 5.0617 6.1039 6.1039 7.3293 7.3293 7.3919 7.3919 8.2373 8.2373 8.5085 8.5085 9.6946 9.6946 10.1138 10.1138 10.3856 10.3856 10.4436 10.4436 10.9386 10.9386 11.2364 11.2364 11.4293 11.4293 11.5929 11.5929 13.8302 13.8302 14.0477 14.0477 16.0426 16.0426 16.2913 16.2913 k = 0.0345-0.0000-0.0000 ( 2735 PWs) bands (ev): -3.0799 -3.0799 -0.4026 -0.4026 1.2539 1.2539 1.8686 1.8686 5.0719 5.0719 6.1123 6.1123 7.3296 7.3296 7.4008 7.4008 8.2401 8.2401 8.5125 8.5125 9.6879 9.6879 10.1127 10.1127 10.3839 10.3839 10.4406 10.4406 10.9384 10.9384 11.2339 11.2339 11.4192 11.4192 11.5878 11.5878 13.8253 13.8253 13.9777 13.9777 15.9544 15.9544 16.2821 16.2821 k = 0.0431-0.0000-0.0000 ( 2739 PWs) bands (ev): -3.0676 -3.0676 -0.3917 -0.3917 1.2643 1.2643 1.8779 1.8779 5.0850 5.0850 6.1231 6.1231 7.3299 7.3299 7.4122 7.4122 8.2438 8.2438 8.5177 8.5177 9.6789 9.6789 10.1113 10.1113 10.3817 10.3817 10.4369 10.4369 10.9382 10.9382 11.2305 11.2305 11.4062 11.4062 11.5812 11.5812 13.8094 13.8094 13.9021 13.9021 15.8489 15.8489 16.2701 16.2701 k = 0.0517-0.0000-0.0000 ( 2739 PWs) bands (ev): -3.0526 -3.0526 -0.3785 -0.3785 1.2770 1.2770 1.8892 1.8892 5.1010 5.1010 6.1362 6.1362 7.3303 7.3303 7.4262 7.4262 8.2482 8.2482 8.5239 8.5239 9.6674 9.6674 10.1094 10.1094 10.3792 10.3792 10.4322 10.4322 10.9378 10.9378 11.2262 11.2262 11.3905 11.3905 11.5734 11.5734 13.7486 13.7486 13.8575 13.8575 15.7295 15.7295 16.2545 16.2545 k = 0.0603-0.0000-0.0000 ( 2743 PWs) bands (ev): -3.0348 -3.0348 -0.3628 -0.3628 1.2920 1.2920 1.9026 1.9026 5.1198 5.1198 6.1517 6.1517 7.3307 7.3307 7.4425 7.4425 8.2533 8.2533 8.5313 8.5313 9.6529 9.6529 10.1069 10.1069 10.3761 10.3761 10.4268 10.4268 10.9373 10.9373 11.2210 11.2210 11.3720 11.3720 11.5642 11.5642 13.6446 13.6446 13.8454 13.8454 15.5989 15.5989 16.2341 16.2341 k = 0.0690-0.0000-0.0000 ( 2741 PWs) bands (ev): -3.0142 -3.0142 -0.3448 -0.3448 1.3093 1.3093 1.9181 1.9181 5.1415 5.1415 6.1696 6.1696 7.3311 7.3311 7.4614 7.4614 8.2592 8.2592 8.5398 8.5398 9.6350 9.6350 10.1038 10.1038 10.3728 10.3728 10.4204 10.4204 10.9367 10.9367 11.2147 11.2147 11.3510 11.3510 11.5538 11.5538 13.5253 13.5253 13.8406 13.8406 15.4594 15.4594 16.2080 16.2080 k = 0.0776-0.0000-0.0000 ( 2741 PWs) bands (ev): -2.9910 -2.9910 -0.3244 -0.3244 1.3289 1.3289 1.9355 1.9355 5.1661 5.1661 6.1899 6.1899 7.3314 7.3314 7.4826 7.4826 8.2657 8.2657 8.5493 8.5493 9.6132 9.6132 10.0998 10.0998 10.3691 10.3691 10.4132 10.4132 10.9360 10.9360 11.2073 11.2073 11.3274 11.3274 11.5420 11.5420 13.3991 13.3991 13.8376 13.8376 15.3129 15.3129 16.1748 16.1748 k = 0.0862-0.0000-0.0000 ( 2741 PWs) bands (ev): -2.9651 -2.9651 -0.3016 -0.3016 1.3507 1.3507 1.9550 1.9550 5.1934 5.1934 6.2125 6.2125 7.3316 7.3316 7.5061 7.5061 8.2728 8.2728 8.5598 8.5598 9.5869 9.5869 10.0949 10.0949 10.3651 10.3651 10.4051 10.4051 10.9351 10.9351 11.1988 11.1988 11.3015 11.3015 11.5289 11.5289 13.2697 13.2697 13.8351 13.8351 15.1610 15.1610 16.1334 16.1334 k = 0.0948-0.0000-0.0000 ( 2737 PWs) bands (ev): -2.9364 -2.9364 -0.2765 -0.2765 1.3748 1.3748 1.9765 1.9765 5.2236 5.2236 6.2374 6.2374 7.3316 7.3316 7.5319 7.5319 8.2804 8.2804 8.5713 8.5713 9.5554 9.5554 10.0888 10.0888 10.3609 10.3609 10.3961 10.3961 10.9340 10.9340 11.1889 11.1889 11.2734 11.2734 11.5147 11.5147 13.1400 13.1400 13.8329 13.8329 15.0052 15.0052 16.0826 16.0826 k = 0.1034-0.0000-0.0000 ( 2733 PWs) bands (ev): -2.9050 -2.9050 -0.2492 -0.2492 1.4011 1.4011 1.9999 1.9999 5.2565 5.2565 6.2647 6.2647 7.3313 7.3313 7.5599 7.5599 8.2886 8.2886 8.5838 8.5838 9.5178 9.5178 10.0813 10.0813 10.3565 10.3565 10.3860 10.3860 10.9326 10.9326 11.1775 11.1775 11.2434 11.2434 11.4991 11.4991 13.0124 13.0124 13.8307 13.8307 14.8467 14.8467 16.0213 16.0213 k = 0.1121-0.0000-0.0000 ( 2731 PWs) bands (ev): -2.8710 -2.8710 -0.2195 -0.2195 1.4297 1.4297 2.0253 2.0253 5.2922 5.2922 6.2943 6.2943 7.3308 7.3308 7.5899 7.5899 8.2971 8.2971 8.5971 8.5971 9.4736 9.4736 10.0721 10.0721 10.3517 10.3517 10.3749 10.3749 10.9310 10.9310 11.1645 11.1645 11.2119 11.2119 11.4824 11.4824 12.8888 12.8888 13.8284 13.8284 14.6867 14.6867 15.9493 15.9493 k = 0.1207-0.0000-0.0000 ( 2735 PWs) bands (ev): -2.8343 -2.8343 -0.1876 -0.1876 1.4605 1.4605 2.0527 2.0527 5.3306 5.3306 6.3262 6.3262 7.3300 7.3300 7.6220 7.6220 8.3060 8.3060 8.6114 8.6114 9.4214 9.4214 10.0609 10.0609 10.3465 10.3465 10.3629 10.3629 10.9290 10.9290 11.1489 11.1489 11.1801 11.1801 11.4645 11.4645 12.7713 12.7713 13.8260 13.8260 14.5263 14.5263 15.8668 15.8668 k = 0.1293-0.0000-0.0000 ( 2739 PWs) bands (ev): -2.7949 -2.7949 -0.1534 -0.1534 1.4935 1.4935 2.0819 2.0819 5.3716 5.3716 6.3604 6.3604 7.3288 7.3288 7.6560 7.6560 8.3152 8.3152 8.6264 8.6264 9.3608 9.3608 10.0476 10.0476 10.3398 10.3398 10.3509 10.3509 10.9268 10.9268 11.1274 11.1274 11.1518 11.1518 11.4453 11.4453 12.6611 12.6611 13.8235 13.8235 14.3665 14.3665 15.7746 15.7746 k = 0.1379-0.0000-0.0000 ( 2735 PWs) bands (ev): -2.7528 -2.7528 -0.1171 -0.1171 1.5287 1.5287 2.1131 2.1131 5.4153 5.4153 6.3968 6.3968 7.3271 7.3271 7.6917 7.6917 8.3247 8.3247 8.6423 8.6423 9.2910 9.2910 10.0316 10.0316 10.3282 10.3282 10.3421 10.3421 10.9242 10.9242 11.0965 11.0965 11.1312 11.1312 11.4251 11.4251 12.5597 12.5597 13.8209 13.8209 14.2084 14.2084 15.6741 15.6741 k = 0.1466-0.0000-0.0000 ( 2731 PWs) bands (ev): -2.7081 -2.7081 -0.0786 -0.0786 1.5660 1.5660 2.1461 2.1461 5.4616 5.4616 6.4355 6.4355 7.3249 7.3249 7.7291 7.7291 8.3342 8.3342 8.6588 8.6588 9.2115 9.2115 10.0127 10.0127 10.3117 10.3117 10.3364 10.3364 10.9212 10.9212 11.0609 11.0609 11.1143 11.1143 11.4038 11.4038 12.4677 12.4677 13.8181 13.8181 14.0528 14.0528 15.5670 15.5670 k = 0.1552-0.0000-0.0000 ( 2731 PWs) bands (ev): -2.6607 -2.6607 -0.0380 -0.0380 1.6055 1.6055 2.1809 2.1809 5.5105 5.5105 6.4764 6.4764 7.3221 7.3221 7.7679 7.7679 8.3438 8.3438 8.6759 8.6759 9.1219 9.1219 9.9904 9.9904 10.2918 10.2918 10.3318 10.3318 10.9177 10.9177 11.0237 11.0237 11.0988 11.0988 11.3814 11.3814 12.3857 12.3857 13.8147 13.8147 13.9011 13.9011 15.4550 15.4550 k = 0.1638-0.0000-0.0000 ( 2731 PWs) bands (ev): -2.6108 -2.6108 0.0046 0.0046 1.6471 1.6471 2.2176 2.2176 5.5618 5.5618 6.5195 6.5195 7.3186 7.3186 7.8080 7.8080 8.3533 8.3533 8.6936 8.6936 9.0221 9.0221 9.9644 9.9644 10.2690 10.2690 10.3276 10.3276 10.9137 10.9137 10.9866 10.9866 11.0842 11.0842 11.3579 11.3579 12.3136 12.3136 13.7514 13.7514 13.8134 13.8134 15.3399 15.3399 k = 0.1724-0.0000-0.0000 ( 2737 PWs) bands (ev): -2.5582 -2.5582 0.0493 0.0493 1.6908 1.6908 2.2560 2.2560 5.6156 5.6156 6.5647 6.5647 7.3144 7.3144 7.8490 7.8490 8.3627 8.3627 8.7117 8.7117 8.9125 8.9125 9.9343 9.9343 10.2429 10.2429 10.3237 10.3237 10.9084 10.9084 10.9508 10.9508 11.0709 11.0709 11.3331 11.3331 12.2511 12.2511 13.6095 13.6095 13.8094 13.8094 15.2234 15.2234 k = 0.1810-0.0000-0.0000 ( 2745 PWs) bands (ev): -2.5030 -2.5030 0.0959 0.0959 1.7365 1.7365 2.2961 2.2961 5.6717 5.6717 6.6120 6.6120 7.3095 7.3095 7.8907 7.8907 8.3718 8.3718 8.7302 8.7302 8.7935 8.7935 9.8997 9.8997 10.2129 10.2129 10.3202 10.3202 10.8978 10.8978 10.9210 10.9210 11.0591 11.0591 11.3073 11.3073 12.1977 12.1977 13.4729 13.4729 13.8057 13.8057 15.1069 15.1069 k = 0.1897-0.0000-0.0000 ( 2741 PWs) bands (ev): -2.4453 -2.4453 0.1444 0.1444 1.7843 1.7843 2.3379 2.3379 5.7302 5.7302 6.6614 6.6614 7.3037 7.3037 7.9327 7.9327 8.3805 8.3805 8.6657 8.6657 8.7490 8.7490 9.8606 9.8606 10.1787 10.1787 10.3171 10.3171 10.8725 10.8725 10.9077 10.9077 11.0490 11.0490 11.2804 11.2804 12.1527 12.1527 13.3430 13.3430 13.8020 13.8020 14.9916 14.9916 k = 0.1983-0.0000-0.0000 ( 2737 PWs) bands (ev): -2.3850 -2.3850 0.1948 0.1948 1.8341 1.8341 2.3813 2.3813 5.7910 5.7910 6.7130 6.7130 7.2971 7.2971 7.9746 7.9746 8.3888 8.3888 8.5302 8.5302 8.7678 8.7678 9.8167 9.8167 10.1398 10.1398 10.3144 10.3144 10.8423 10.8423 10.9012 10.9012 11.0406 11.0406 11.2524 11.2524 12.1153 12.1153 13.2204 13.2204 13.7982 13.7982 14.8788 14.8788 k = 0.2069-0.0000-0.0000 ( 2745 PWs) bands (ev): -2.3222 -2.3222 0.2468 0.2468 1.8859 1.8859 2.4263 2.4263 5.8539 5.8539 6.7664 6.7664 7.2894 7.2894 8.0157 8.0157 8.3877 8.3877 8.3964 8.3964 8.7866 8.7866 9.7682 9.7682 10.0958 10.0958 10.3119 10.3119 10.8136 10.8136 10.8958 10.8958 11.0341 11.0341 11.2233 11.2233 12.0846 12.0846 13.1056 13.1056 13.7941 13.7941 14.7692 14.7692 k = 0.2155-0.0000-0.0000 ( 2739 PWs) bands (ev): -2.2569 -2.2569 0.3005 0.3005 1.9395 1.9395 2.4729 2.4729 5.9190 5.9190 6.8218 6.8218 7.2809 7.2809 8.0553 8.0553 8.2398 8.2398 8.4032 8.4032 8.8052 8.8052 9.7155 9.7155 10.0467 10.0467 10.3098 10.3098 10.7877 10.7877 10.8905 10.8905 11.0293 11.0293 11.1933 11.1933 12.0599 12.0599 12.9993 12.9993 13.7899 13.7899 14.6637 14.6637 k = 0.2241-0.0000-0.0000 ( 2735 PWs) bands (ev): -2.1891 -2.1891 0.3557 0.3557 1.9951 1.9951 2.5209 2.5209 5.9860 5.9860 6.8791 6.8791 7.2713 7.2713 8.0864 8.0864 8.0929 8.0929 8.4092 8.4092 8.8235 8.8235 9.6595 9.6595 9.9924 9.9924 10.3080 10.3080 10.7647 10.7647 10.8852 10.8852 11.0259 11.0259 11.1625 11.1625 12.0403 12.0403 12.9015 12.9015 13.7855 13.7855 14.5631 14.5631 k = 0.2328-0.0000-0.0000 ( 2733 PWs) bands (ev): -2.1188 -2.1188 0.4123 0.4123 2.0524 2.0524 2.5703 2.5703 6.0549 6.0549 6.9382 6.9382 7.2606 7.2606 7.9305 7.9305 8.1259 8.1259 8.4140 8.4140 8.8411 8.8411 9.6011 9.6011 9.9332 9.9332 10.3064 10.3064 10.7449 10.7449 10.8796 10.8796 11.0230 11.0230 11.1318 11.1318 12.0253 12.0253 12.8126 12.8126 13.7809 13.7809 14.4679 14.4679 k = 0.2414-0.0000-0.0000 ( 2729 PWs) bands (ev): -2.0461 -2.0461 0.4703 0.4703 2.1115 2.1115 2.6210 2.6210 6.1255 6.1255 6.9990 6.9990 7.2488 7.2488 7.7715 7.7715 8.1540 8.1540 8.4175 8.4175 8.8579 8.8579 9.5421 9.5421 9.8696 9.8696 10.3048 10.3048 10.7281 10.7281 10.8737 10.8737 11.0188 11.0188 11.1027 11.1027 12.0142 12.0142 12.7324 12.7324 13.7762 13.7762 14.3786 14.3786 k = 0.2500-0.0000-0.0000 ( 2733 PWs) bands (ev): -1.9710 -1.9710 0.5293 0.5293 2.1723 2.1723 2.6730 2.6730 6.1975 6.1975 7.0611 7.0611 7.2360 7.2360 7.6113 7.6113 8.1746 8.1746 8.4194 8.4194 8.8737 8.8737 9.4846 9.4846 9.8019 9.8019 10.3031 10.3031 10.7139 10.7139 10.8672 10.8672 11.0090 11.0090 11.0795 11.0795 12.0066 12.0066 12.6608 12.6608 13.7712 13.7712 14.2956 14.2956 k = 0.2586-0.0000-0.0000 ( 2731 PWs) bands (ev): -1.8936 -1.8936 0.5893 0.5893 2.2348 2.2348 2.7262 2.7262 6.2707 6.2707 7.1239 7.1239 7.2221 7.2221 7.4516 7.4516 8.1852 8.1852 8.4193 8.4193 8.8885 8.8885 9.4315 9.4315 9.7312 9.7312 10.3013 10.3013 10.7021 10.7021 10.8602 10.8602 10.9884 10.9884 11.0674 11.0674 12.0020 12.0020 12.5976 12.5976 13.7661 13.7661 14.2193 14.2193 k = 0.2672-0.0000-0.0000 ( 2735 PWs) bands (ev): -1.8138 -1.8138 0.6501 0.6501 2.2988 2.2988 2.7804 2.7804 6.3443 6.3443 7.1807 7.1807 7.2077 7.2077 7.2997 7.2997 8.1829 8.1829 8.4169 8.4169 8.9024 8.9024 9.3852 9.3852 9.6581 9.6581 10.2989 10.2989 10.6923 10.6923 10.8521 10.8521 10.9585 10.9585 11.0652 11.0652 12.0001 12.0001 12.5423 12.5423 13.7609 13.7609 14.1501 14.1501 k = 0.2759-0.0000-0.0000 ( 2739 PWs) bands (ev): -1.7317 -1.7317 0.7113 0.7113 2.3643 2.3643 2.8356 2.8356 6.4169 6.4169 7.1193 7.1193 7.1909 7.1909 7.2718 7.2718 8.1649 8.1649 8.4116 8.4116 8.9162 8.9162 9.3485 9.3485 9.5838 9.5838 10.2958 10.2958 10.6841 10.6841 10.8424 10.8424 10.9245 10.9245 11.0680 11.0680 12.0005 12.0005 12.4944 12.4944 13.7556 13.7556 14.0880 14.0880 k = 0.2845-0.0000-0.0000 ( 2731 PWs) bands (ev): -1.6474 -1.6474 0.7729 0.7729 2.4311 2.4311 2.8917 2.8917 6.4849 6.4849 6.9748 6.9748 7.1735 7.1735 7.3352 7.3352 8.1293 8.1293 8.4029 8.4029 8.9302 8.9302 9.3224 9.3224 9.5095 9.5095 10.2917 10.2917 10.6776 10.6776 10.8292 10.8292 10.8915 10.8915 11.0736 11.0736 12.0033 12.0033 12.4534 12.4534 13.7501 13.7501 14.0333 14.0333 k = 0.2931-0.0000-0.0000 ( 2731 PWs) bands (ev): -1.5609 -1.5609 0.8345 0.8345 2.4993 2.4993 2.9485 2.9485 6.5343 6.5343 6.8476 6.8476 7.1552 7.1552 7.4043 7.4043 8.0753 8.0753 8.3898 8.3898 8.9453 8.9453 9.3067 9.3067 9.4370 9.4370 10.2859 10.2859 10.6718 10.6718 10.8087 10.8087 10.8644 10.8644 11.0804 11.0804 12.0079 12.0079 12.4187 12.4187 13.7446 13.7446 13.9861 13.9861 k = 0.3017-0.0000-0.0000 ( 2731 PWs) bands (ev): -1.4723 -1.4723 0.8958 0.8958 2.5686 2.5686 3.0059 3.0059 6.5180 6.5180 6.7891 6.7891 7.1359 7.1359 7.4753 7.4753 8.0041 8.0041 8.3716 8.3716 8.9618 8.9618 9.2984 9.2984 9.3695 9.3695 10.2780 10.2780 10.6667 10.6667 10.7790 10.7790 10.8463 10.8463 11.0880 11.0880 12.0143 12.0143 12.3897 12.3897 13.7390 13.7390 13.9465 13.9465 k = 0.3103-0.0000-0.0000 ( 2737 PWs) bands (ev): -1.3815 -1.3815 0.9563 0.9563 2.6390 2.6390 3.0638 3.0638 6.4150 6.4150 6.8212 6.8212 7.1158 7.1158 7.5478 7.5478 7.9175 7.9175 8.3471 8.3471 8.9793 8.9793 9.2786 9.2786 9.3259 9.3259 10.2672 10.2672 10.6616 10.6616 10.7445 10.7445 10.8342 10.8342 11.0960 11.0960 12.0222 12.0222 12.3660 12.3660 13.7335 13.7335 13.9144 13.9144 k = 0.3190-0.0000-0.0000 ( 2737 PWs) bands (ev): -1.2888 -1.2888 1.0157 1.0157 2.7103 2.7103 3.1220 3.1220 6.2812 6.2812 6.8890 6.8890 7.0947 7.0947 7.6213 7.6213 7.8183 7.8183 8.3156 8.3156 8.9973 8.9973 9.2271 9.2271 9.3257 9.3257 10.2526 10.2526 10.6556 10.6556 10.7107 10.7107 10.8248 10.8248 11.1042 11.1042 12.0316 12.0316 12.3468 12.3468 13.7281 13.7281 13.8897 13.8897 k = 0.3276-0.0000-0.0000 ( 2739 PWs) bands (ev): -1.1941 -1.1941 1.0734 1.0734 2.7823 2.7823 3.1803 3.1803 6.1418 6.1418 6.9676 6.9676 7.0730 7.0730 7.6945 7.6945 7.7103 7.7103 8.2760 8.2760 9.0148 9.0148 9.1743 9.1743 9.3383 9.3383 10.2334 10.2334 10.6458 10.6458 10.6825 10.6825 10.8171 10.8171 11.1121 11.1121 12.0424 12.0424 12.3318 12.3318 13.7230 13.7230 13.8724 13.8724 k = 0.3362-0.0000-0.0000 ( 2735 PWs) bands (ev): -1.0975 -1.0975 1.1290 1.1290 2.8549 2.8549 3.2386 3.2386 6.0040 6.0040 7.0490 7.0490 7.0526 7.0526 7.5915 7.5915 7.7713 7.7713 8.2279 8.2279 9.0311 9.0311 9.1280 9.1280 9.3550 9.3550 10.2088 10.2088 10.6275 10.6275 10.6662 10.6662 10.8107 10.8107 11.1199 11.1199 12.0545 12.0545 12.3203 12.3203 13.7182 13.7182 13.8623 13.8623 k = 0.3448-0.0000-0.0000 ( 2731 PWs) bands (ev): -0.9991 -0.9991 1.1817 1.1817 2.9278 2.9278 3.2966 3.2966 5.8704 5.8704 7.0277 7.0277 7.1367 7.1367 7.4685 7.4685 7.8471 7.8471 8.1713 8.1713 9.0455 9.0455 9.0898 9.0898 9.3735 9.3735 10.1782 10.1782 10.6050 10.6050 10.6583 10.6583 10.8057 10.8057 11.1272 11.1272 12.0677 12.0677 12.3120 12.3120 13.7138 13.7138 13.8591 13.8591 k = 0.3534-0.0000-0.0000 ( 2731 PWs) bands (ev): -0.8990 -0.8990 1.2308 1.2308 3.0010 3.0010 3.3541 3.3541 5.7428 5.7428 7.0046 7.0046 7.2237 7.2237 7.3413 7.3413 7.9233 7.9233 8.1068 8.1068 9.0574 9.0574 9.0598 9.0598 9.3921 9.3921 10.1416 10.1416 10.5846 10.5846 10.6530 10.6530 10.8025 10.8025 11.1339 11.1339 12.0818 12.0818 12.3065 12.3065 13.7100 13.7100 13.8628 13.8628 k = 0.3621-0.0000-0.0000 ( 2727 PWs) bands (ev): -0.7973 -0.7973 1.2757 1.2757 3.0740 3.0740 3.4109 3.4109 5.6224 5.6224 6.9814 6.9814 7.2097 7.2097 7.3132 7.3132 7.9992 7.9992 8.0360 8.0360 9.0374 9.0374 9.0667 9.0667 9.4093 9.4093 10.0994 10.0994 10.5679 10.5679 10.6484 10.6484 10.8013 10.8013 11.1399 11.1399 12.0969 12.0969 12.3033 12.3033 13.7067 13.7067 13.8731 13.8731 k = 0.3707-0.0000-0.0000 ( 2725 PWs) bands (ev): -0.6942 -0.6942 1.3154 1.3154 3.1467 3.1467 3.4666 3.4666 5.5103 5.5103 6.9582 6.9582 7.0777 7.0777 7.4019 7.4019 7.9581 7.9581 8.0767 8.0767 9.0222 9.0222 9.0727 9.0727 9.4240 9.4240 10.0524 10.0524 10.5551 10.5551 10.6439 10.6439 10.8023 10.8023 11.1450 11.1450 12.1126 12.1126 12.3021 12.3021 13.7042 13.7042 13.8897 13.8897 k = 0.3793-0.0000-0.0000 ( 2717 PWs) bands (ev): -0.5897 -0.5897 1.3490 1.3490 3.2187 3.2187 3.5210 3.5210 5.4077 5.4077 6.9342 6.9342 6.9456 6.9456 7.4913 7.4913 7.8772 7.8772 8.1529 8.1529 9.0134 9.0134 9.0755 9.0755 9.4352 9.4352 10.0017 10.0017 10.5456 10.5456 10.6393 10.6393 10.8060 10.8060 11.1492 11.1492 12.1290 12.1290 12.3025 12.3025 13.7025 13.7025 13.9124 13.9124 k = 0.3879-0.0000-0.0000 ( 2717 PWs) bands (ev): -0.4840 -0.4840 1.3757 1.3757 3.2898 3.2898 3.5737 3.5737 5.3157 5.3157 6.8101 6.8101 6.9140 6.9140 7.5807 7.5807 7.7936 7.7936 8.2289 8.2289 9.0099 9.0099 9.0747 9.0747 9.4419 9.4419 9.9483 9.9483 10.5389 10.5389 10.6344 10.6344 10.8125 10.8125 11.1523 11.1523 12.1458 12.1458 12.3043 12.3043 13.7019 13.7019 13.9407 13.9407 k = 0.3966-0.0000-0.0000 ( 2717 PWs) bands (ev): -0.3773 -0.3773 1.3944 1.3944 3.3594 3.3594 3.6243 3.6243 5.2353 5.2353 6.6767 6.6767 6.8930 6.8930 7.6680 7.6680 7.7106 7.7106 8.3043 8.3043 9.0113 9.0113 9.0701 9.0701 9.4437 9.4437 9.8930 9.8930 10.5345 10.5345 10.6293 10.6293 10.8218 10.8218 11.1541 11.1541 12.1630 12.1630 12.3071 12.3071 13.7025 13.7025 13.9741 13.9741 k = 0.4052-0.0000-0.0000 ( 2717 PWs) bands (ev): -0.2697 -0.2697 1.4044 1.4044 3.4272 3.4272 3.6726 3.6726 5.1674 5.1674 6.5444 6.5444 6.8736 6.8736 7.6211 7.6211 7.7611 7.7611 8.3788 8.3788 9.0168 9.0168 9.0614 9.0614 9.4401 9.4401 9.8367 9.8367 10.5318 10.5318 10.6239 10.6239 10.8341 10.8341 11.1547 11.1547 12.1804 12.1804 12.3106 12.3106 13.7046 13.7046 14.0120 14.0120 k = 0.4138-0.0000-0.0000 ( 2717 PWs) bands (ev): -0.1616 -0.1616 1.4050 1.4050 3.4928 3.4928 3.7179 3.7179 5.1128 5.1128 6.4136 6.4136 6.8561 6.8561 7.5366 7.5366 7.8495 7.8495 8.4524 8.4524 9.0261 9.0261 9.0485 9.0485 9.4309 9.4309 9.7802 9.7802 10.5307 10.5307 10.6184 10.6184 10.8491 10.8491 11.1540 11.1540 12.1978 12.1978 12.3147 12.3147 13.7086 13.7086 14.0540 14.0540 k = 0.4224-0.0000-0.0000 ( 2717 PWs) bands (ev): -0.0531 -0.0531 1.3954 1.3954 3.5557 3.5557 3.7600 3.7600 5.0723 5.0723 6.2849 6.2849 6.8409 6.8409 7.4535 7.4535 7.9374 7.9374 8.5247 8.5247 9.0300 9.0300 9.0398 9.0398 9.4163 9.4163 9.7238 9.7238 10.5307 10.5307 10.6126 10.6126 10.8664 10.8664 11.1518 11.1518 12.2150 12.2150 12.3189 12.3189 13.7148 13.7148 14.0990 14.0990 k = 0.4310-0.0000-0.0000 ( 2701 PWs) bands (ev): 0.0555 0.0555 1.3754 1.3754 3.6153 3.6153 3.7983 3.7983 5.0460 5.0460 6.1590 6.1590 6.8288 6.8288 7.3729 7.3729 8.0243 8.0243 8.5956 8.5956 9.0083 9.0083 9.0554 9.0554 9.3964 9.3964 9.6683 9.6683 10.5317 10.5317 10.6068 10.6068 10.8859 10.8859 11.1482 11.1482 12.2318 12.2318 12.3232 12.3232 13.7235 13.7235 14.1464 14.1464 k = 0.4397-0.0000-0.0000 ( 2695 PWs) bands (ev): 0.1639 0.1639 1.3450 1.3450 3.6711 3.6711 3.8323 3.8323 5.0343 5.0343 6.0363 6.0363 6.8201 6.8201 7.2957 7.2957 8.1099 8.1099 8.6648 8.6648 8.9811 8.9811 9.0743 9.0743 9.3715 9.3715 9.6138 9.6138 10.5336 10.5336 10.6008 10.6008 10.9068 10.9068 11.1429 11.1429 12.2479 12.2479 12.3271 12.3271 13.7353 13.7353 14.1946 14.1946 k = 0.4483-0.0000-0.0000 ( 2694 PWs) bands (ev): 0.2717 0.2717 1.3043 1.3043 3.7226 3.7226 3.8615 3.8615 5.0368 5.0368 5.9173 5.9173 6.8154 6.8154 7.2226 7.2226 8.1938 8.1938 8.7321 8.7321 8.9486 8.9486 9.0962 9.0962 9.3421 9.3421 9.5607 9.5607 10.5360 10.5360 10.5948 10.5948 10.9288 10.9288 11.1359 11.1359 12.2632 12.2632 12.3304 12.3304 13.7504 13.7504 14.2414 14.2414 k = 0.4569-0.0000-0.0000 ( 2690 PWs) bands (ev): 0.3785 0.3785 1.2536 1.2536 3.7691 3.7691 3.8855 3.8855 5.0533 5.0533 5.8026 5.8026 6.8155 6.8155 7.1543 7.1543 8.2759 8.2759 8.7972 8.7972 8.9109 8.9109 9.1209 9.1209 9.3084 9.3084 9.5094 9.5094 10.5390 10.5390 10.5888 10.5888 10.9513 10.9513 11.1271 11.1271 12.2774 12.2774 12.3330 12.3330 13.7694 13.7694 14.2452 14.2452 k = 0.4655-0.0000-0.0000 ( 2686 PWs) bands (ev): 0.4838 0.4838 1.1937 1.1937 3.8102 3.8102 3.9037 3.9037 5.0830 5.0830 5.6930 5.6930 6.8207 6.8207 7.0915 7.0915 8.3557 8.3557 8.8571 8.8571 8.8709 8.8709 9.1482 9.1482 9.2710 9.2710 9.4600 9.4600 10.5425 10.5425 10.5828 10.5828 10.9738 10.9738 11.1166 11.1166 12.2903 12.2903 12.3345 12.3345 13.7926 13.7926 14.1744 14.1744 k = 0.4741-0.0000-0.0000 ( 2692 PWs) bands (ev): 0.5871 0.5871 1.1253 1.1253 3.8454 3.8454 3.9157 3.9157 5.1252 5.1252 5.5889 5.5889 6.8316 6.8316 7.0345 7.0345 8.4328 8.4328 8.8187 8.8187 8.9216 8.9216 9.1779 9.1779 9.2304 9.2304 9.4126 9.4126 10.5464 10.5464 10.5770 10.5770 10.9960 10.9960 11.1043 11.1043 12.3017 12.3017 12.3347 12.3347 13.8205 13.8205 14.1061 14.1061 k = 0.4828-0.0000-0.0000 ( 2688 PWs) bands (ev): 0.6877 0.6877 1.0494 1.0494 3.8742 3.8742 3.9212 3.9212 5.1790 5.1790 5.4911 5.4911 6.8487 6.8487 6.9838 6.9838 8.5069 8.5069 8.7655 8.7655 8.9796 8.9796 9.1845 9.1845 9.2124 9.2124 9.3675 9.3675 10.5508 10.5508 10.5713 10.5713 11.0175 11.0175 11.0902 11.0902 12.3115 12.3115 12.3335 12.3335 13.8537 13.8537 14.0435 14.0435 k = 0.4914-0.0000-0.0000 ( 2692 PWs) bands (ev): 0.7851 0.7851 0.9667 0.9667 3.8963 3.8963 3.9198 3.9198 5.2434 5.2434 5.4003 5.4003 6.8723 6.8723 6.9398 6.9398 8.5776 8.5776 8.7073 8.7073 9.0352 9.0352 9.1381 9.1381 9.2468 9.2468 9.3248 9.3248 10.5555 10.5555 10.5657 10.5657 11.0378 11.0378 11.0743 11.0743 12.3196 12.3196 12.3306 12.3306 13.8923 13.8923 13.9871 13.9871 k = 0.5000-0.0000-0.0000 ( 2700 PWs) bands (ev): 0.8783 0.8783 0.8783 0.8783 3.9115 3.9115 3.9116 3.9116 5.3174 5.3174 5.3175 5.3175 6.9026 6.9026 6.9026 6.9026 8.6445 8.6445 8.6446 8.6446 9.0880 9.0880 9.0881 9.0881 9.2845 9.2845 9.2845 9.2845 10.5604 10.5604 10.5606 10.5606 11.0567 11.0567 11.0569 11.0569 12.3257 12.3257 12.3261 12.3261 13.9365 13.9365 13.9368 13.9368 k = 0.5000-0.0000-0.0000 ( 2700 PWs) bands (ev): 0.8783 0.8783 0.8783 0.8783 3.9115 3.9115 3.9116 3.9116 5.3174 5.3174 5.3175 5.3175 6.9026 6.9026 6.9026 6.9026 8.6445 8.6445 8.6446 8.6446 9.0880 9.0880 9.0881 9.0881 9.2845 9.2845 9.2845 9.2845 10.5604 10.5604 10.5606 10.5606 11.0567 11.0567 11.0569 11.0569 12.3257 12.3257 12.3261 12.3261 13.9365 13.9365 13.9368 13.9368 k = 0.5000 0.0086-0.0000 ( 2692 PWs) bands (ev): 0.8786 0.8786 0.8786 0.8786 3.9105 3.9105 3.9111 3.9111 5.3194 5.3194 5.3197 5.3197 6.9013 6.9013 6.9024 6.9024 8.6401 8.6401 8.6403 8.6403 9.0713 9.0713 9.0773 9.0773 9.2993 9.2993 9.3044 9.3044 10.5562 10.5562 10.5581 10.5581 11.0557 11.0557 11.0575 11.0575 12.3260 12.3260 12.3291 12.3291 13.9335 13.9335 13.9378 13.9378 k = 0.5000 0.0171-0.0000 ( 2692 PWs) bands (ev): 0.8793 0.8793 0.8794 0.8794 3.9079 3.9079 3.9091 3.9091 5.3254 5.3254 5.3260 5.3260 6.8986 6.8986 6.9007 6.9007 8.6272 8.6272 8.6275 8.6275 9.0385 9.0385 9.0478 9.0478 9.3397 9.3397 9.3473 9.3473 10.5454 10.5454 10.5491 10.5491 11.0539 11.0539 11.0575 11.0575 12.3291 12.3291 12.3353 12.3353 13.9285 13.9285 13.9369 13.9369 k = 0.5000 0.0257-0.0000 ( 2692 PWs) bands (ev): 0.8806 0.8806 0.8808 0.8808 3.9039 3.9039 3.9056 3.9056 5.3355 5.3355 5.3363 5.3363 6.8943 6.8943 6.8975 6.8975 8.6061 8.6061 8.6065 8.6065 9.0018 9.0018 9.0130 9.0130 9.3917 9.3917 9.4005 9.4005 10.5285 10.5285 10.5340 10.5340 11.0517 11.0517 11.0568 11.0568 12.3353 12.3353 12.3444 12.3444 13.9221 13.9221 13.9340 13.9340 k = 0.5000 0.0342-0.0000 ( 2692 PWs) bands (ev): 0.8824 0.8824 0.8826 0.8826 3.8985 3.8985 3.9008 3.9008 5.3495 5.3495 5.3506 5.3506 6.8884 6.8884 6.8926 6.8926 8.5779 8.5779 8.5782 8.5782 8.9665 8.9665 8.9790 8.9790 9.4479 9.4479 9.4575 9.4575 10.5063 10.5063 10.5134 10.5134 11.0488 11.0488 11.0555 11.0555 12.3443 12.3443 12.3561 12.3561 13.9144 13.9144 13.9294 13.9294 k = 0.5000 0.0428-0.0000 ( 2692 PWs) bands (ev): 0.8847 0.8847 0.8849 0.8849 3.8918 3.8918 3.8947 3.8947 5.3672 5.3672 5.3687 5.3687 6.8808 6.8808 6.8860 6.8860 8.5440 8.5440 8.5441 8.5441 8.9340 8.9340 8.9476 8.9476 9.5045 9.5045 9.5150 9.5150 10.4800 10.4800 10.4886 10.4886 11.0455 11.0455 11.0535 11.0535 12.3559 12.3559 12.3701 12.3701 13.9059 13.9059 13.9233 13.9233 k = 0.5000 0.0513-0.0000 ( 2700 PWs) bands (ev): 0.8874 0.8874 0.8877 0.8877 3.8840 3.8840 3.8874 3.8874 5.3886 5.3886 5.3903 5.3903 6.8715 6.8715 6.8776 6.8776 8.5058 8.5058 8.5060 8.5060 8.9043 8.9043 8.9188 8.9188 9.5590 9.5590 9.5706 9.5706 10.4506 10.4506 10.4606 10.4606 11.0415 11.0415 11.0508 11.0508 12.3697 12.3697 12.3862 12.3862 13.8970 13.8970 13.9162 13.9162 k = 0.5000 0.0599-0.0000 ( 2694 PWs) bands (ev): 0.8906 0.8906 0.8909 0.8909 3.8752 3.8752 3.8792 3.8792 5.4134 5.4134 5.4155 5.4155 6.8604 6.8604 6.8674 6.8674 8.4654 8.4654 8.4658 8.4658 8.8766 8.8766 8.8919 8.8919 9.6095 9.6095 9.6224 9.6224 10.4199 10.4199 10.4311 10.4311 11.0371 11.0371 11.0476 11.0476 12.3855 12.3855 12.4040 12.4040 13.8881 13.8881 13.9085 13.9085 k = 0.5000 0.0684-0.0000 ( 2696 PWs) bands (ev): 0.8942 0.8942 0.8946 0.8946 3.8657 3.8657 3.8701 3.8701 5.4414 5.4414 5.4439 5.4439 6.8473 6.8473 6.8551 6.8551 8.4242 8.4242 8.4250 8.4250 8.8500 8.8500 8.8662 8.8662 9.6538 9.6538 9.6682 9.6682 10.3898 10.3898 10.4022 10.4022 11.0321 11.0321 11.0438 11.0438 12.4031 12.4031 12.4231 12.4231 13.8794 13.8794 13.9006 13.9006 k = 0.5000 0.0770-0.0000 ( 2696 PWs) bands (ev): 0.8983 0.8983 0.8986 0.8986 3.8555 3.8555 3.8603 3.8603 5.4724 5.4724 5.4752 5.4752 6.8323 6.8323 6.8408 6.8408 8.3839 8.3839 8.3849 8.3849 8.8236 8.8236 8.8407 8.8407 9.6897 9.6897 9.7059 9.7059 10.3623 10.3623 10.3758 10.3758 11.0267 11.0267 11.0395 11.0395 12.4222 12.4222 12.4435 12.4435 13.8711 13.8711 13.8927 13.8927 k = 0.5000 0.0856-0.0000 ( 2700 PWs) bands (ev): 0.9026 0.9026 0.9030 0.9030 3.8448 3.8448 3.8501 3.8501 5.5062 5.5062 5.5093 5.5093 6.8153 6.8153 6.8244 6.8244 8.3454 8.3454 8.3466 8.3466 8.7969 8.7969 8.8149 8.8149 9.7151 9.7151 9.7334 9.7334 10.3397 10.3397 10.3543 10.3543 11.0210 11.0210 11.0350 11.0350 12.4426 12.4426 12.4647 12.4647 13.8636 13.8636 13.8853 13.8853 k = 0.5000 0.0941-0.0000 ( 2700 PWs) bands (ev): 0.9073 0.9073 0.9077 0.9077 3.8339 3.8339 3.8395 3.8395 5.5425 5.5425 5.5460 5.5460 6.7964 6.7964 6.8059 6.8059 8.3094 8.3094 8.3108 8.3108 8.7693 8.7693 8.7883 8.7883 9.7283 9.7283 9.7487 9.7487 10.3239 10.3239 10.3398 10.3398 11.0151 11.0151 11.0303 11.0303 12.4641 12.4641 12.4869 12.4869 13.8570 13.8570 13.8785 13.8785 k = 0.5000 0.1027-0.0000 ( 2700 PWs) bands (ev): 0.9122 0.9122 0.9127 0.9127 3.8227 3.8227 3.8287 3.8287 5.5810 5.5810 5.5849 5.5849 6.7755 6.7755 6.7854 6.7854 8.2766 8.2766 8.2781 8.2781 8.7407 8.7407 8.7607 8.7607 9.7285 9.7285 9.7510 9.7510 10.3159 10.3159 10.3334 10.3334 11.0091 11.0091 11.0257 11.0257 12.4866 12.4866 12.5096 12.5096 13.8512 13.8512 13.8725 13.8725 k = 0.5000 0.1112-0.0000 ( 2700 PWs) bands (ev): 0.9174 0.9174 0.9179 0.9179 3.8116 3.8116 3.8179 3.8179 5.6216 5.6216 5.6259 5.6259 6.7528 6.7528 6.7629 6.7629 8.2472 8.2472 8.2487 8.2487 8.7108 8.7108 8.7317 8.7317 9.7161 9.7161 9.7406 9.7406 10.3153 10.3153 10.3347 10.3347 11.0033 11.0033 11.0213 11.0213 12.5098 12.5098 12.5328 12.5328 13.8465 13.8465 13.8674 13.8674 k = 0.5000 0.1198-0.0000 ( 2704 PWs) bands (ev): 0.9227 0.9227 0.9233 0.9233 3.8005 3.8005 3.8071 3.8071 5.6639 5.6639 5.6687 5.6687 6.7284 6.7284 6.7388 6.7388 8.2212 8.2212 8.2228 8.2228 8.6797 8.6797 8.7015 8.7015 9.6932 9.6932 9.7194 9.7194 10.3206 10.3206 10.3423 10.3423 10.9977 10.9977 11.0172 11.0172 12.5337 12.5337 12.5564 12.5564 13.8427 13.8427 13.8632 13.8632 k = 0.5000 0.1283-0.0000 ( 2706 PWs) bands (ev): 0.9282 0.9282 0.9287 0.9287 3.7896 3.7896 3.7965 3.7965 5.7078 5.7078 5.7129 5.7129 6.7027 6.7027 6.7131 6.7131 8.1987 8.1987 8.2003 8.2003 8.6473 8.6473 8.6700 8.6700 9.6620 9.6620 9.6899 9.6899 10.3296 10.3296 10.3540 10.3540 10.9926 10.9926 11.0137 11.0137 12.5579 12.5579 12.5801 12.5801 13.8399 13.8399 13.8600 13.8600 k = 0.5000 0.1369-0.0000 ( 2710 PWs) bands (ev): 0.9337 0.9337 0.9343 0.9343 3.7790 3.7790 3.7861 3.7861 5.7529 5.7529 5.7585 5.7585 6.6759 6.6759 6.6863 6.6863 8.1793 8.1793 8.1809 8.1809 8.6141 8.6141 8.6375 8.6375 9.6251 9.6251 9.6545 9.6545 10.3405 10.3405 10.3676 10.3676 10.9880 10.9880 11.0109 11.0109 12.5821 12.5821 12.6037 12.6037 13.8379 13.8379 13.8576 13.8576 k = 0.5000 0.1454-0.0000 ( 2706 PWs) bands (ev): 0.9393 0.9393 0.9399 0.9399 3.7688 3.7688 3.7761 3.7761 5.7990 5.7990 5.8049 5.8049 6.6484 6.6484 6.6586 6.6586 8.1625 8.1625 8.1643 8.1643 8.5803 8.5803 8.6043 8.6043 9.5845 9.5845 9.6153 9.6153 10.3515 10.3515 10.3816 10.3816 10.9844 10.9844 11.0089 11.0089 12.6063 12.6063 12.6271 12.6271 13.8367 13.8367 13.8561 13.8561 k = 0.5000 0.1540-0.0000 ( 2718 PWs) bands (ev): 0.9448 0.9448 0.9454 0.9454 3.7591 3.7591 3.7666 3.7666 5.8457 5.8457 5.8521 5.8521 6.6204 6.6204 6.6304 6.6304 8.1478 8.1478 8.1499 8.1499 8.5466 8.5466 8.5709 8.5709 9.5418 9.5418 9.5739 9.5739 10.3617 10.3617 10.3948 10.3948 10.9814 10.9814 11.0076 11.0076 12.6300 12.6300 12.6499 12.6499 13.8362 13.8362 13.8552 13.8552 k = 0.5000 0.1626-0.0000 ( 2718 PWs) bands (ev): 0.9503 0.9503 0.9509 0.9509 3.7499 3.7499 3.7575 3.7575 5.8928 5.8928 5.8995 5.8995 6.5923 6.5923 6.6021 6.6021 8.1345 8.1345 8.1371 8.1371 8.5136 8.5136 8.5381 8.5381 9.4984 9.4984 9.5317 9.5317 10.3705 10.3705 10.4064 10.4064 10.9794 10.9794 11.0071 11.0071 12.6531 12.6531 12.6721 12.6721 13.8362 13.8362 13.8550 13.8550 k = 0.5000 0.1711-0.0000 ( 2718 PWs) bands (ev): 0.9556 0.9556 0.9562 0.9562 3.7412 3.7412 3.7489 3.7489 5.9399 5.9399 5.9470 5.9470 6.5646 6.5646 6.5741 6.5741 8.1216 8.1216 8.1249 8.1249 8.4824 8.4824 8.5066 8.5066 9.4550 9.4550 9.4895 9.4895 10.3774 10.3774 10.4160 10.4160 10.9782 10.9782 11.0073 11.0073 12.6752 12.6752 12.6933 12.6933 13.8367 13.8367 13.8552 13.8552 k = 0.5000 0.1797-0.0000 ( 2726 PWs) bands (ev): 0.9607 0.9607 0.9614 0.9614 3.7331 3.7331 3.7410 3.7410 5.9866 5.9866 5.9940 5.9940 6.5375 6.5375 6.5468 6.5468 8.1082 8.1082 8.1126 8.1126 8.4539 8.4539 8.4774 8.4774 9.4126 9.4126 9.4482 9.4482 10.3825 10.3825 10.4236 10.4236 10.9776 10.9776 11.0081 11.0081 12.6961 12.6961 12.7133 12.7133 13.8376 13.8376 13.8559 13.8559 k = 0.5000 0.1882-0.0000 ( 2726 PWs) bands (ev): 0.9656 0.9656 0.9662 0.9662 3.7257 3.7257 3.7337 3.7337 6.0324 6.0324 6.0401 6.0401 6.5115 6.5115 6.5205 6.5205 8.0932 8.0932 8.0991 8.0991 8.4292 8.4292 8.4516 8.4516 9.3716 9.3716 9.4083 9.4083 10.3861 10.3861 10.4294 10.4294 10.9778 10.9778 11.0094 11.0094 12.7156 12.7156 12.7319 12.7319 13.8387 13.8387 13.8568 13.8568 k = 0.5000 0.1968-0.0000 ( 2726 PWs) bands (ev): 0.9701 0.9701 0.9708 0.9708 3.7189 3.7189 3.7270 3.7270 6.0769 6.0769 6.0848 6.0848 6.4869 6.4869 6.4955 6.4955 8.0761 8.0761 8.0838 8.0838 8.4091 8.4091 8.4301 8.4301 9.3326 9.3326 9.3703 9.3703 10.3882 10.3882 10.4334 10.4334 10.9786 10.9786 11.0111 11.0111 12.7336 12.7336 12.7491 12.7491 13.8400 13.8400 13.8580 13.8580 k = 0.5000 0.2053-0.0000 ( 2718 PWs) bands (ev): 0.9744 0.9744 0.9751 0.9751 3.7128 3.7128 3.7210 3.7210 6.1195 6.1195 6.1277 6.1277 6.4638 6.4638 6.4721 6.4721 8.0567 8.0567 8.0664 8.0664 8.3941 8.3941 8.4135 8.4135 9.2960 9.2960 9.3347 9.3347 10.3891 10.3891 10.4360 10.4360 10.9797 10.9797 11.0130 11.0130 12.7500 12.7500 12.7647 12.7647 13.8415 13.8415 13.8593 13.8593 k = 0.5000 0.2139-0.0000 ( 2722 PWs) bands (ev): 0.9782 0.9782 0.9789 0.9789 3.7075 3.7075 3.7157 3.7157 6.1598 6.1598 6.1682 6.1682 6.4427 6.4427 6.4506 6.4506 8.0353 8.0353 8.0471 8.0471 8.3840 8.3840 8.4016 8.4016 9.2622 9.2622 9.3018 9.3018 10.3891 10.3891 10.4374 10.4374 10.9810 10.9810 11.0149 11.0149 12.7645 12.7645 12.7785 12.7785 13.8429 13.8429 13.8606 13.8606 k = 0.5000 0.2224-0.0000 ( 2722 PWs) bands (ev): 0.9817 0.9817 0.9824 0.9824 3.7028 3.7028 3.7110 3.7110 6.1971 6.1971 6.2056 6.2056 6.4235 6.4235 6.4311 6.4311 8.0131 8.0131 8.0267 8.0267 8.3780 8.3780 8.3941 8.3941 9.2317 9.2317 9.2721 9.2721 10.3885 10.3885 10.4380 10.4380 10.9823 10.9823 11.0168 11.0168 12.7772 12.7772 12.7906 12.7906 13.8443 13.8443 13.8619 13.8619 k = 0.5000 0.2310-0.0000 ( 2720 PWs) bands (ev): 0.9846 0.9846 0.9853 0.9853 3.6988 3.6988 3.7071 3.7071 6.2308 6.2308 6.2394 6.2394 6.4066 6.4066 6.4138 6.4138 7.9912 7.9912 8.0064 8.0064 8.3752 8.3752 8.3901 8.3901 9.2048 9.2048 9.2460 9.2460 10.3876 10.3876 10.4381 10.4381 10.9837 10.9837 11.0185 11.0185 12.7879 12.7879 12.8009 12.8009 13.8455 13.8455 13.8631 13.8631 k = 0.5000 0.2396-0.0000 ( 2716 PWs) bands (ev): 0.9871 0.9871 0.9878 0.9878 3.6956 3.6956 3.7039 3.7039 6.2604 6.2604 6.2690 6.2690 6.3917 6.3917 6.3986 6.3986 7.9710 7.9710 7.9875 7.9875 8.3747 8.3747 8.3887 8.3887 9.1821 9.1821 9.2240 9.2240 10.3866 10.3866 10.4378 10.4378 10.9849 10.9849 11.0200 11.0200 12.7968 12.7968 12.8094 12.8094 13.8467 13.8467 13.8642 13.8642 k = 0.5000 0.2481-0.0000 ( 2720 PWs) bands (ev): 0.9891 0.9891 0.9897 0.9897 3.6931 3.6931 3.7014 3.7014 6.2854 6.2854 6.2940 6.2940 6.3789 6.3789 6.3856 6.3856 7.9538 7.9538 7.9712 7.9712 8.3754 8.3754 8.3887 8.3887 9.1638 9.1638 9.2063 9.2063 10.3855 10.3855 10.4373 10.4373 10.9859 10.9859 11.0212 11.0212 12.8037 12.8037 12.8159 12.8159 13.8476 13.8476 13.8650 13.8650 k = 0.5000 0.2567-0.0000 ( 2724 PWs) bands (ev): 0.9905 0.9905 0.9911 0.9911 3.6913 3.6913 3.6996 3.6996 6.3053 6.3053 6.3143 6.3143 6.3678 6.3678 6.3747 6.3747 7.9406 7.9406 7.9586 7.9586 8.3764 8.3764 8.3893 8.3893 9.1504 9.1504 9.1934 9.1934 10.3846 10.3846 10.4368 10.4368 10.9867 10.9867 11.0221 11.0221 12.8086 12.8086 12.8206 12.8206 13.8482 13.8482 13.8656 13.8656 k = 0.5000 0.2652-0.0000 ( 2720 PWs) bands (ev): 0.9913 0.9913 0.9920 0.9920 3.6902 3.6902 3.6986 3.6986 6.3193 6.3193 6.3299 6.3299 6.3579 6.3579 6.3663 6.3663 7.9324 7.9324 7.9508 7.9508 8.3773 8.3773 8.3900 8.3900 9.1423 9.1423 9.1855 9.1855 10.3841 10.3841 10.4365 10.4365 10.9872 10.9872 11.0227 11.0227 12.8116 12.8116 12.8235 12.8235 13.8486 13.8486 13.8660 13.8660 k = 0.5000 0.2738-0.0000 ( 2720 PWs) bands (ev): 0.9916 0.9916 0.9923 0.9923 3.6898 3.6898 3.6982 3.6982 6.3248 6.3248 6.3381 6.3381 6.3516 6.3516 6.3626 6.3626 7.9296 7.9296 7.9481 7.9481 8.3777 8.3777 8.3903 8.3903 9.1395 9.1395 9.1829 9.1829 10.3839 10.3839 10.4364 10.4364 10.9873 10.9873 11.0229 11.0229 12.8125 12.8125 12.8244 12.8244 13.8488 13.8488 13.8662 13.8662 k = 0.5000 0.2738-0.0000 ( 2720 PWs) bands (ev): 0.9916 0.9916 0.9923 0.9923 3.6898 3.6898 3.6982 3.6982 6.3248 6.3248 6.3381 6.3381 6.3516 6.3516 6.3626 6.3626 7.9296 7.9296 7.9481 7.9481 8.3777 8.3777 8.3903 8.3903 9.1395 9.1395 9.1829 9.1829 10.3839 10.3839 10.4364 10.4364 10.9873 10.9873 11.0229 11.0229 12.8125 12.8125 12.8244 12.8244 13.8488 13.8488 13.8662 13.8662 k = 0.4914 0.2738-0.0000 ( 2722 PWs) bands (ev): 0.9868 0.9868 0.9875 0.9875 3.6900 3.6900 3.6984 3.6984 6.2597 6.2597 6.2711 6.2711 6.4229 6.4229 6.4358 6.4358 7.9246 7.9246 7.9433 7.9433 8.3772 8.3772 8.3897 8.3897 9.1456 9.1456 9.1890 9.1890 10.3841 10.3841 10.4365 10.4365 10.9871 10.9871 11.0226 11.0226 12.8125 12.8125 12.8244 12.8244 13.8500 13.8500 13.8674 13.8674 k = 0.4828 0.2738-0.0000 ( 2718 PWs) bands (ev): 0.9727 0.9727 0.9733 0.9733 3.6903 3.6903 3.6989 3.6989 6.1902 6.1902 6.2006 6.2006 6.5109 6.5109 6.5248 6.5248 7.9098 7.9098 7.9292 7.9292 8.3763 8.3763 8.3882 8.3882 9.1634 9.1634 9.2069 9.2069 10.3847 10.3847 10.4370 10.4370 10.9863 10.9863 11.0217 11.0217 12.8123 12.8123 12.8245 12.8245 13.8537 13.8537 13.8711 13.8711 k = 0.4741 0.2738-0.0000 ( 2714 PWs) bands (ev): 0.9494 0.9494 0.9501 0.9501 3.6901 3.6901 3.6989 3.6989 6.1290 6.1290 6.1384 6.1384 6.6029 6.6029 6.6178 6.6178 7.8860 7.8860 7.9064 7.9064 8.3761 8.3761 8.3871 8.3871 9.1913 9.1913 9.2350 9.2350 10.3857 10.3857 10.4378 10.4378 10.9849 10.9849 11.0202 11.0202 12.8122 12.8122 12.8247 12.8247 13.8599 13.8599 13.8773 13.8773 k = 0.4655 0.2738-0.0000 ( 2714 PWs) bands (ev): 0.9176 0.9176 0.9182 0.9182 3.6884 3.6884 3.6976 3.6976 6.0775 6.0775 6.0860 6.0860 6.6973 6.6973 6.7130 6.7130 7.8545 7.8545 7.8759 7.8759 8.3776 8.3776 8.3876 8.3876 9.2274 9.2274 9.2712 9.2712 10.3871 10.3871 10.4388 10.4388 10.9830 10.9830 11.0181 11.0181 12.8121 12.8121 12.8251 12.8251 13.8685 13.8685 13.8858 13.8858 k = 0.4569 0.2738-0.0000 ( 2722 PWs) bands (ev): 0.8779 0.8779 0.8784 0.8784 3.6842 3.6842 3.6937 3.6937 6.0368 6.0368 6.0444 6.0444 6.7924 6.7924 6.8089 6.8089 7.8173 7.8173 7.8397 7.8397 8.3820 8.3820 8.3910 8.3910 9.2694 9.2694 9.3135 9.3135 10.3889 10.3889 10.4402 10.4402 10.9805 10.9805 11.0153 11.0153 12.8121 12.8121 12.8257 12.8257 13.8794 13.8794 13.8965 13.8965 k = 0.4483 0.2738-0.0000 ( 2728 PWs) bands (ev): 0.8309 0.8309 0.8314 0.8314 3.6760 3.6760 3.6859 3.6859 6.0079 6.0079 6.0147 6.0147 6.8861 6.8861 6.9033 6.9033 7.7774 7.7774 7.8005 7.8005 8.3899 8.3899 8.3980 8.3980 9.3153 9.3153 9.3598 9.3598 10.3914 10.3914 10.4421 10.4421 10.9774 10.9774 11.0119 11.0119 12.8125 12.8125 12.8268 12.8268 13.8924 13.8924 13.9093 13.9093 k = 0.4397 0.2738-0.0000 ( 2728 PWs) bands (ev): 0.7776 0.7776 0.7781 0.7781 3.6628 3.6628 3.6731 3.6731 5.9915 5.9915 5.9975 5.9975 6.9756 6.9756 6.9930 6.9930 7.7387 7.7387 7.7621 7.7621 8.4016 8.4016 8.4090 8.4090 9.3636 9.3636 9.4083 9.4083 10.3945 10.3945 10.4445 10.4445 10.9737 10.9737 11.0079 11.0079 12.8135 12.8135 12.8285 12.8285 13.9075 13.9075 13.9241 13.9241 k = 0.4310 0.2738-0.0000 ( 2728 PWs) bands (ev): 0.7188 0.7188 0.7192 0.7192 3.6435 3.6435 3.6543 3.6543 5.9876 5.9876 5.9929 5.9929 7.0564 7.0564 7.0731 7.0731 7.7069 7.7069 7.7295 7.7295 8.4176 8.4176 8.4243 8.4243 9.4127 9.4127 9.4576 9.4576 10.3984 10.3984 10.4474 10.4474 10.9695 10.9695 11.0033 11.0033 12.8151 12.8151 12.8311 12.8311 13.9243 13.9243 13.9405 13.9405 k = 0.4224 0.2738-0.0000 ( 2728 PWs) bands (ev): 0.6551 0.6551 0.6555 0.6555 3.6177 3.6177 3.6287 3.6287 5.9959 5.9959 6.0007 6.0007 7.1224 7.1224 7.1366 7.1366 7.6900 7.6900 7.7099 7.7099 8.4378 8.4378 8.4440 8.4440 9.4615 9.4615 9.5065 9.5065 10.4032 10.4032 10.4511 10.4511 10.9646 10.9646 10.9981 10.9981 12.8178 12.8178 12.8346 12.8346 13.9426 13.9426 13.9582 13.9582 k = 0.4138 0.2738-0.0000 ( 2728 PWs) bands (ev): 0.5875 0.5875 0.5878 0.5878 3.5849 3.5849 3.5963 3.5963 6.0155 6.0155 6.0199 6.0199 7.1661 7.1661 7.1753 7.1753 7.6966 7.6966 7.7114 7.7114 8.4626 8.4626 8.4683 8.4683 9.5090 9.5090 9.5540 9.5540 10.4090 10.4090 10.4556 10.4556 10.9592 10.9592 10.9923 10.9923 12.8217 12.8217 12.8395 12.8395 13.9620 13.9620 13.9768 13.9768 k = 0.4052 0.2738-0.0000 ( 2736 PWs) bands (ev): 0.5165 0.5165 0.5167 0.5167 3.5454 3.5454 3.5570 3.5570 6.0449 6.0449 6.0489 6.0489 7.1836 7.1836 7.1863 7.1863 7.7308 7.7308 7.7388 7.7388 8.4923 8.4923 8.4976 8.4976 9.5545 9.5545 9.5993 9.5993 10.4159 10.4159 10.4608 10.4608 10.9532 10.9532 10.9859 10.9859 12.8272 12.8272 12.8458 12.8458 13.9820 13.9820 13.9957 13.9957 k = 0.3966 0.2738-0.0000 ( 2736 PWs) bands (ev): 0.4428 0.4428 0.4429 0.4429 3.4994 3.4994 3.5112 3.5112 6.0817 6.0817 6.0856 6.0856 7.1753 7.1753 7.1788 7.1788 7.7878 7.7878 7.7894 7.7894 8.5274 8.5274 8.5322 8.5322 9.5975 9.5975 9.6418 9.6418 10.4240 10.4240 10.4671 10.4671 10.9466 10.9466 10.9790 10.9790 12.8346 12.8346 12.8540 12.8540 14.0020 14.0020 14.0145 14.0145 k = 0.3879 0.2738-0.0000 ( 2736 PWs) bands (ev): 0.3669 0.3669 0.3671 0.3671 3.4477 3.4477 3.4595 3.4595 6.1229 6.1229 6.1267 6.1267 7.1528 7.1528 7.1611 7.1611 7.8551 7.8551 7.8583 7.8583 8.5684 8.5684 8.5725 8.5725 9.6374 9.6374 9.6809 9.6809 10.4335 10.4335 10.4744 10.4744 10.9396 10.9396 10.9717 10.9717 12.8442 12.8442 12.8644 12.8644 14.0213 14.0213 14.0322 14.0322 k = 0.3793 0.2738-0.0000 ( 2730 PWs) bands (ev): 0.2895 0.2895 0.2896 0.2896 3.3909 3.3909 3.4027 3.4027 6.1647 6.1647 6.1684 6.1684 7.1288 7.1288 7.1404 7.1404 7.9282 7.9282 7.9347 7.9347 8.6156 8.6156 8.6190 8.6190 9.6741 9.6741 9.7166 9.7166 10.4444 10.4444 10.4829 10.4829 10.9321 10.9321 10.9639 10.9639 12.8563 12.8563 12.8772 12.8772 14.0393 14.0393 14.0483 14.0483 k = 0.3707 0.2738-0.0000 ( 2730 PWs) bands (ev): 0.2109 0.2109 0.2109 0.2109 3.3299 3.3299 3.3416 3.3416 6.2023 6.2023 6.2058 6.2058 7.1113 7.1113 7.1250 7.1250 8.0035 8.0035 8.0121 8.0121 8.6693 8.6693 8.6717 8.6717 9.7073 9.7073 9.7484 9.7484 10.4566 10.4566 10.4924 10.4924 10.9243 10.9243 10.9558 10.9558 12.8713 12.8713 12.8927 12.8927 14.0549 14.0549 14.0616 14.0616 k = 0.3621 0.2738-0.0000 ( 2726 PWs) bands (ev): 0.1315 0.1315 0.1315 0.1315 3.2653 3.2653 3.2770 3.2770 6.2305 6.2305 6.2335 6.2335 7.1071 7.1071 7.1219 7.1219 8.0776 8.0776 8.0874 8.0874 8.7296 8.7296 8.7308 8.7308 9.7371 9.7371 9.7766 9.7766 10.4701 10.4701 10.5031 10.5031 10.9163 10.9163 10.9475 10.9475 12.8895 12.8895 12.9112 12.9112 14.0673 14.0673 14.0715 14.0715 k = 0.3534 0.2738-0.0000 ( 2734 PWs) bands (ev): 0.0517 0.0517 0.0517 0.0517 3.1979 3.1979 3.2094 3.2094 6.2448 6.2448 6.2469 6.2469 7.1211 7.1211 7.1361 7.1361 8.1488 8.1488 8.1591 8.1591 8.7956 8.7956 8.7959 8.7959 9.7634 9.7634 9.8010 9.8010 10.4848 10.4848 10.5148 10.5148 10.9082 10.9082 10.9392 10.9392 12.9111 12.9111 12.9330 12.9330 14.0759 14.0759 14.0772 14.0772 k = 0.3448 0.2738-0.0000 ( 2730 PWs) bands (ev): -0.0282 -0.0282 -0.0281 -0.0281 3.1284 3.1284 3.1398 3.1398 6.2427 6.2427 6.2436 6.2436 7.1557 7.1557 7.1702 7.1702 8.2167 8.2167 8.2270 8.2270 8.8654 8.8654 8.8672 8.8672 9.7865 9.7865 9.8221 9.8221 10.5008 10.5008 10.5276 10.5276 10.9002 10.9002 10.9309 10.9309 12.9365 12.9365 12.9583 12.9583 14.0783 14.0783 14.0800 14.0800 k = 0.3362 0.2738-0.0000 ( 2738 PWs) bands (ev): -0.1079 -0.1079 -0.1078 -0.1078 3.0574 3.0574 3.0685 3.0685 6.2240 6.2240 6.2245 6.2245 7.2097 7.2097 7.2233 7.2233 8.2812 8.2812 8.2913 8.2913 8.9388 8.9388 8.9423 8.9423 9.8067 9.8067 9.8401 9.8401 10.5177 10.5177 10.5414 10.5414 10.8925 10.8925 10.9229 10.9229 12.9658 12.9658 12.9872 12.9872 14.0746 14.0746 14.0794 14.0794 k = 0.3276 0.2738-0.0000 ( 2724 PWs) bands (ev): -0.1872 -0.1872 -0.1871 -0.1871 2.9853 2.9853 2.9962 2.9962 6.1907 6.1907 6.1926 6.1926 7.2801 7.2801 7.2926 7.2926 8.3430 8.3430 8.3527 8.3527 9.0144 9.0144 9.0196 9.0196 9.8243 9.8243 9.8555 9.8555 10.5358 10.5358 10.5564 10.5564 10.8853 10.8853 10.9155 10.9155 12.9993 12.9993 13.0200 13.0200 14.0665 14.0665 14.0743 14.0743 k = 0.3190 0.2738-0.0000 ( 2720 PWs) bands (ev): -0.2658 -0.2658 -0.2657 -0.2657 2.9127 2.9127 2.9234 2.9234 6.1470 6.1470 6.1501 6.1501 7.3626 7.3626 7.3739 7.3739 8.4029 8.4029 8.4120 8.4120 9.0905 9.0905 9.0974 9.0974 9.8397 9.8397 9.8687 9.8687 10.5547 10.5547 10.5723 10.5723 10.8790 10.8790 10.9086 10.9086 13.0369 13.0369 13.0566 13.0566 14.0546 14.0546 14.0654 14.0654 k = 0.3103 0.2738-0.0000 ( 2720 PWs) bands (ev): -0.3436 -0.3436 -0.3434 -0.3434 2.8399 2.8399 2.8503 2.8503 6.0959 6.0959 6.1001 6.1001 7.4532 7.4532 7.4635 7.4635 8.4617 8.4617 8.4702 8.4702 9.1659 9.1659 9.1742 9.1742 9.8533 9.8533 9.8801 9.8801 10.5746 10.5746 10.5891 10.5891 10.8737 10.8737 10.9027 10.9027 13.0786 13.0786 13.0969 13.0969 14.0402 14.0402 14.0538 14.0538 k = 0.3017 0.2738-0.0000 ( 2720 PWs) bands (ev): -0.4203 -0.4203 -0.4201 -0.4201 2.7672 2.7672 2.7774 2.7774 6.0399 6.0399 6.0448 6.0448 7.5486 7.5486 7.5580 7.5580 8.5201 8.5201 8.5279 8.5279 9.2390 9.2390 9.2487 9.2487 9.8655 9.8655 9.8901 9.8901 10.5956 10.5956 10.6069 10.6069 10.8700 10.8700 10.8980 10.8980 13.1239 13.1239 13.1404 13.1404 14.0247 14.0247 14.0410 14.0410 k = 0.2931 0.2738-0.0000 ( 2728 PWs) bands (ev): -0.4959 -0.4959 -0.4957 -0.4957 2.6950 2.6950 2.7049 2.7049 5.9805 5.9805 5.9861 5.9861 7.6460 7.6460 7.6546 7.6546 8.5785 8.5785 8.5857 8.5857 9.3092 9.3092 9.3201 9.3201 9.8766 9.8766 9.8991 9.8991 10.6175 10.6175 10.6255 10.6255 10.8681 10.8681 10.8947 10.8947 13.1722 13.1722 13.1867 13.1867 14.0101 14.0101 14.0288 14.0288 k = 0.2845 0.2738-0.0000 ( 2728 PWs) bands (ev): -0.5702 -0.5702 -0.5700 -0.5700 2.6235 2.6235 2.6332 2.6332 5.9193 5.9193 5.9253 5.9253 7.7432 7.7432 7.7509 7.7509 8.6376 8.6376 8.6440 8.6440 9.3758 9.3758 9.3878 9.3878 9.8871 9.8871 9.9077 9.9077 10.6403 10.6403 10.6448 10.6448 10.8686 10.8686 10.8931 10.8931 13.2228 13.2228 13.2350 13.2350 13.9986 13.9986 14.0196 14.0196 k = 0.2759 0.2738-0.0000 ( 2728 PWs) bands (ev): -0.6430 -0.6430 -0.6428 -0.6428 2.5529 2.5529 2.5623 2.5623 5.8570 5.8570 5.8634 5.8634 7.8381 7.8381 7.8451 7.8451 8.6970 8.6970 8.7026 8.7026 9.4385 9.4385 9.4515 9.4515 9.8973 9.8973 9.9163 9.9163 10.6639 10.6639 10.6642 10.6642 10.8722 10.8722 10.8938 10.8938 13.2741 13.2741 13.2837 13.2837 13.9927 13.9927 14.0157 14.0157 k = 0.2672 0.2738-0.0000 ( 2732 PWs) bands (ev): -0.7143 -0.7143 -0.7141 -0.7141 2.4835 2.4835 2.4926 2.4926 5.7944 5.7944 5.8010 5.8010 7.9295 7.9295 7.9357 7.9357 8.7563 8.7563 8.7612 8.7612 9.4973 9.4973 9.5116 9.5116 9.9076 9.9076 9.9253 9.9253 10.6832 10.6832 10.6876 10.6876 10.8795 10.8795 10.8973 10.8973 13.3243 13.3243 13.3312 13.3312 13.9953 13.9953 14.0201 14.0201 k = 0.2586 0.2738-0.0000 ( 2724 PWs) bands (ev): -0.7840 -0.7840 -0.7838 -0.7838 2.4153 2.4153 2.4241 2.4241 5.7320 5.7320 5.7387 5.7387 8.0161 8.0161 8.0216 8.0216 8.8148 8.8148 8.8187 8.8187 9.5529 9.5529 9.5685 9.5685 9.9185 9.9185 9.9353 9.9353 10.7009 10.7009 10.7107 10.7107 10.8914 10.8914 10.9045 10.9045 13.3711 13.3711 13.3757 13.3757 14.0097 14.0097 14.0355 14.0355 k = 0.2500 0.2738-0.0000 ( 2728 PWs) bands (ev): -0.8520 -0.8520 -0.8517 -0.8517 2.3485 2.3485 2.3571 2.3571 5.6701 5.6701 5.6769 5.6769 8.0974 8.0974 8.1021 8.1021 8.8710 8.8710 8.8740 8.8740 9.6052 9.6052 9.6226 9.6226 9.9307 9.9307 9.9472 9.9472 10.7167 10.7167 10.7321 10.7321 10.9083 10.9083 10.9160 10.9160 13.4126 13.4126 13.4153 13.4153 14.0383 14.0383 14.0644 14.0644 k = 0.2414 0.2738-0.0000 ( 2724 PWs) bands (ev): -0.9181 -0.9181 -0.9179 -0.9179 2.2833 2.2833 2.2916 2.2916 5.6091 5.6091 5.6160 5.6160 8.1729 8.1729 8.1770 8.1770 8.9236 8.9236 8.9255 8.9255 9.6545 9.6545 9.6742 9.6742 9.9454 9.9454 9.9623 9.9623 10.7301 10.7301 10.7508 10.7508 10.9300 10.9300 10.9325 10.9325 13.4478 13.4478 13.4494 13.4494 14.0830 14.0830 14.1083 14.1083 k = 0.2328 0.2738-0.0000 ( 2720 PWs) bands (ev): -0.9824 -0.9824 -0.9822 -0.9822 2.2198 2.2198 2.2278 2.2278 5.5492 5.5492 5.5561 5.5561 8.2427 8.2427 8.2462 8.2462 8.9709 8.9709 8.9718 8.9718 9.7000 9.7000 9.7224 9.7224 9.9647 9.9647 9.9826 9.9826 10.7415 10.7415 10.7665 10.7665 10.9541 10.9541 10.9560 10.9560 13.4773 13.4773 13.4786 13.4786 14.1436 14.1436 14.1670 14.1670 k = 0.2241 0.2738-0.0000 ( 2724 PWs) bands (ev): -1.0448 -1.0448 -1.0445 -1.0445 2.1580 2.1580 2.1657 2.1657 5.4906 5.4906 5.4975 5.4975 8.3070 8.3070 8.3099 8.3099 9.0115 9.0115 9.0118 9.0118 9.7401 9.7401 9.7651 9.7651 9.9910 9.9910 10.0101 10.0101 10.7515 10.7515 10.7793 10.7793 10.9800 10.9800 10.9852 10.9852 13.5031 13.5031 13.5047 13.5047 14.2183 14.2183 14.2391 14.2391 k = 0.2155 0.2738-0.0000 ( 2724 PWs) bands (ev): -1.1051 -1.1051 -1.1049 -1.1049 2.0980 2.0980 2.1055 2.1055 5.4336 5.4336 5.4403 5.4403 8.3663 8.3663 8.3687 8.3687 9.0442 9.0442 9.0454 9.0454 9.7732 9.7732 9.8000 9.8000 10.0269 10.0269 10.0466 10.0466 10.7607 10.7607 10.7901 10.7901 11.0089 11.0089 11.0163 11.0163 13.5280 13.5280 13.5302 13.5302 14.3046 14.3046 14.3221 14.3221 k = 0.2069 0.2738-0.0000 ( 2726 PWs) bands (ev): -1.1635 -1.1635 -1.1632 -1.1632 2.0400 2.0400 2.0472 2.0472 5.3781 5.3781 5.3847 5.3847 8.4208 8.4208 8.4227 8.4227 9.0696 9.0696 9.0717 9.0717 9.7989 9.7989 9.8262 9.8262 10.0724 10.0724 10.0917 10.0917 10.7700 10.7700 10.7998 10.7998 11.0396 11.0396 11.0482 11.0482 13.5548 13.5548 13.5577 13.5577 14.3995 14.3995 14.4133 14.4133 k = 0.1983 0.2738-0.0000 ( 2734 PWs) bands (ev): -1.2197 -1.2197 -1.2194 -1.2194 1.9840 1.9840 1.9908 1.9908 5.3244 5.3244 5.3308 5.3308 8.4711 8.4711 8.4726 8.4726 9.0882 9.0882 9.0910 9.0910 9.8183 9.8183 9.8451 9.8451 10.1248 10.1248 10.1432 10.1432 10.7801 10.7801 10.8094 10.8094 11.0708 11.0708 11.0799 11.0799 13.5861 13.5861 13.5896 13.5896 14.5001 14.5001 14.5100 14.5100 k = 0.1897 0.2738-0.0000 ( 2742 PWs) bands (ev): -1.2738 -1.2738 -1.2735 -1.2735 1.9300 1.9300 1.9366 1.9366 5.2725 5.2725 5.2787 5.2787 8.5174 8.5174 8.5186 8.5186 9.1007 9.1007 9.1040 9.1040 9.8333 9.8333 9.8593 9.8593 10.1800 10.1800 10.1976 10.1976 10.7915 10.7915 10.8194 10.8194 11.1015 11.1015 11.1107 11.1107 13.6241 13.6241 13.6281 13.6281 14.6035 14.6035 14.6092 14.6092 k = 0.1810 0.2738-0.0000 ( 2742 PWs) bands (ev): -1.3257 -1.3257 -1.3254 -1.3254 1.8782 1.8782 1.8844 1.8844 5.2225 5.2225 5.2286 5.2286 8.5602 8.5602 8.5611 8.5611 9.1078 9.1078 9.1117 9.1117 9.8459 9.8459 9.8710 9.8710 10.2342 10.2342 10.2516 10.2516 10.8048 10.8048 10.8306 10.8306 11.1311 11.1311 11.1400 11.1400 13.6703 13.6703 13.6748 13.6748 14.7066 14.7066 14.7081 14.7081 k = 0.1724 0.2738-0.0000 ( 2742 PWs) bands (ev): -1.3754 -1.3754 -1.3752 -1.3752 1.8285 1.8285 1.8344 1.8344 5.1744 5.1744 5.1803 5.1803 8.5996 8.5996 8.6003 8.6003 9.1107 9.1107 9.1148 9.1148 9.8572 9.8572 9.8817 9.8817 10.2845 10.2845 10.3023 10.3023 10.8202 10.8202 10.8431 10.8431 11.1592 11.1592 11.1676 11.1676 13.7262 13.7262 13.7308 13.7308 14.8035 14.8035 14.8064 14.8064 k = 0.1638 0.2738-0.0000 ( 2738 PWs) bands (ev): -1.4228 -1.4228 -1.4226 -1.4226 1.7810 1.7810 1.7866 1.7866 5.1285 5.1285 5.1342 5.1342 8.6358 8.6358 8.6363 8.6363 9.1100 9.1100 9.1142 9.1142 9.8685 9.8685 9.8924 9.8924 10.3288 10.3288 10.3477 10.3477 10.8375 10.8375 10.8569 10.8569 11.1856 11.1856 11.1933 11.1933 13.7926 13.7926 13.7973 13.7973 14.8925 14.8925 14.8996 14.8996 k = 0.1552 0.2738-0.0000 ( 2730 PWs) bands (ev): -1.4680 -1.4680 -1.4678 -1.4678 1.7357 1.7357 1.7411 1.7411 5.0846 5.0846 5.0901 5.0901 8.6690 8.6690 8.6694 8.6694 9.1064 9.1064 9.1107 9.1107 9.8805 9.8805 9.9039 9.9039 10.3660 10.3660 10.3866 10.3866 10.8560 10.8560 10.8715 10.8715 11.2103 11.2103 11.2171 11.2171 13.8700 13.8700 13.8745 13.8745 14.9724 14.9724 14.9832 14.9832 k = 0.1466 0.2738-0.0000 ( 2738 PWs) bands (ev): -1.5109 -1.5109 -1.5107 -1.5107 1.6927 1.6927 1.6978 1.6978 5.0429 5.0429 5.0481 5.0481 8.6993 8.6993 8.6995 8.6995 9.1006 9.1006 9.1049 9.1049 9.8934 9.8934 9.9165 9.9165 10.3960 10.3960 10.4185 10.4185 10.8745 10.8745 10.8860 10.8860 11.2332 11.2332 11.2391 11.2391 13.9583 13.9583 13.9625 13.9625 15.0412 15.0412 15.0550 15.0550 k = 0.1379 0.2738-0.0000 ( 2742 PWs) bands (ev): -1.5514 -1.5514 -1.5512 -1.5512 1.6521 1.6521 1.6569 1.6569 5.0034 5.0034 5.0083 5.0083 8.7268 8.7268 8.7270 8.7270 9.0933 9.0933 9.0974 9.0974 9.9079 9.9079 9.9307 9.9307 10.4191 10.4191 10.4437 10.4437 10.8917 10.8917 10.8991 10.8991 11.2550 11.2550 11.2599 11.2599 14.0573 14.0573 14.0611 14.0611 15.0982 15.0982 15.1140 15.1140 k = 0.1293 0.2738-0.0000 ( 2742 PWs) bands (ev): -1.5896 -1.5896 -1.5894 -1.5894 1.6138 1.6138 1.6182 1.6182 4.9661 4.9661 4.9708 4.9708 8.7516 8.7516 8.7517 8.7517 9.0848 9.0848 9.0887 9.0887 9.9242 9.9242 9.9468 9.9468 10.4363 10.4363 10.4630 10.4630 10.9061 10.9061 10.9097 10.9097 11.2759 11.2759 11.2800 11.2800 14.1664 14.1664 14.1697 14.1697 15.1436 15.1436 15.1605 15.1605 k = 0.1207 0.2738-0.0000 ( 2742 PWs) bands (ev): -1.6254 -1.6254 -1.6252 -1.6252 1.5778 1.5778 1.5820 1.5820 4.9311 4.9311 4.9355 4.9355 8.7737 8.7737 8.7738 8.7738 9.0755 9.0755 9.0792 9.0792 9.9423 9.9423 9.9649 9.9649 10.4484 10.4484 10.4770 10.4770 10.9165 10.9165 10.9167 10.9167 11.2964 11.2964 11.2997 11.2997 14.2845 14.2845 14.2871 14.2871 15.1787 15.1787 15.1957 15.1957 k = 0.1121 0.2738-0.0000 ( 2734 PWs) bands (ev): -1.6588 -1.6588 -1.6587 -1.6587 1.5443 1.5443 1.5482 1.5482 4.8984 4.8984 4.9025 4.9025 8.7934 8.7934 8.7935 8.7935 9.0660 9.0660 9.0693 9.0693 9.9623 9.9623 9.9849 9.9849 10.4563 10.4563 10.4867 10.4867 10.9194 10.9194 10.9222 10.9222 11.3165 11.3165 11.3192 11.3192 14.4103 14.4103 14.4123 14.4123 15.2050 15.2050 15.2218 15.2218 k = 0.1034 0.2738-0.0000 ( 2734 PWs) bands (ev): -1.6898 -1.6898 -1.6897 -1.6897 1.5131 1.5131 1.5167 1.5167 4.8681 4.8681 4.8719 4.8719 8.8105 8.8105 8.8107 8.8107 9.0564 9.0564 9.0594 9.0594 9.9841 9.9841 10.0069 10.0069 10.4608 10.4608 10.4929 10.4929 10.9177 10.9177 10.9230 10.9230 11.3364 11.3364 11.3385 11.3385 14.5422 14.5422 14.5435 14.5435 15.2246 15.2246 15.2406 15.2406 k = 0.0948 0.2738-0.0000 ( 2730 PWs) bands (ev): -1.7184 -1.7184 -1.7183 -1.7183 1.4844 1.4844 1.4877 1.4877 4.8401 4.8401 4.8436 4.8436 8.8254 8.8254 8.8256 8.8256 9.0470 9.0470 9.0497 9.0497 10.0077 10.0077 10.0308 10.0308 10.4624 10.4624 10.4961 10.4961 10.9118 10.9118 10.9191 10.9191 11.3557 11.3557 11.3576 11.3576 14.6784 14.6784 14.6789 14.6789 15.2390 15.2390 15.2541 15.2541 k = 0.0862 0.2738-0.0000 ( 2730 PWs) bands (ev): -1.7446 -1.7446 -1.7444 -1.7444 1.4582 1.4582 1.4612 1.4612 4.8144 4.8144 4.8177 4.8177 8.8380 8.8380 8.8383 8.8383 9.0382 9.0382 9.0404 9.0404 10.0330 10.0330 10.0564 10.0564 10.4616 10.4616 10.4967 10.4967 10.9021 10.9021 10.9111 10.9111 11.3744 11.3744 11.3760 11.3760 14.8161 14.8161 14.8163 14.8163 15.2501 15.2501 15.2644 15.2644 k = 0.0776 0.2738-0.0000 ( 2722 PWs) bands (ev): -1.7682 -1.7682 -1.7681 -1.7681 1.4344 1.4344 1.4371 1.4371 4.7912 4.7912 4.7941 4.7941 8.8485 8.8485 8.8489 8.8489 9.0299 9.0299 9.0318 9.0318 10.0597 10.0597 10.0836 10.0836 10.4587 10.4587 10.4950 10.4950 10.8895 10.8895 10.8998 10.8998 11.3921 11.3921 11.3935 11.3935 14.9517 14.9517 14.9526 14.9526 15.2603 15.2603 15.2739 15.2739 k = 0.0690 0.2738-0.0000 ( 2722 PWs) bands (ev): -1.7895 -1.7895 -1.7893 -1.7893 1.4131 1.4131 1.4155 1.4155 4.7704 4.7704 4.7730 4.7730 8.8572 8.8572 8.8577 8.8577 9.0225 9.0225 9.0240 9.0240 10.0876 10.0876 10.1121 10.1121 10.4537 10.4537 10.4911 10.4911 10.8748 10.8748 10.8859 10.8859 11.4085 11.4085 11.4098 11.4098 15.0791 15.0791 15.0803 15.0803 15.2747 15.2747 15.2879 15.2879 k = 0.0603 0.2738-0.0000 ( 2718 PWs) bands (ev): -1.8082 -1.8082 -1.8081 -1.8081 1.3943 1.3943 1.3964 1.3964 4.7520 4.7520 4.7543 4.7543 8.8641 8.8641 8.8647 8.8647 9.0160 9.0160 9.0172 9.0172 10.1164 10.1164 10.1415 10.1415 10.4468 10.4468 10.4851 10.4851 10.8590 10.8590 10.8705 10.8705 11.4235 11.4235 11.4247 11.4247 15.1779 15.1779 15.1796 15.1796 15.3115 15.3115 15.3245 15.3245 k = 0.0517 0.2738-0.0000 ( 2720 PWs) bands (ev): -1.8245 -1.8245 -1.8244 -1.8244 1.3780 1.3780 1.3798 1.3798 4.7361 4.7361 4.7381 4.7381 8.8695 8.8695 8.8701 8.8701 9.0105 9.0105 9.0113 9.0113 10.1456 10.1456 10.1715 10.1715 10.4380 10.4380 10.4768 10.4768 10.8429 10.8429 10.8545 10.8545 11.4367 11.4367 11.4378 11.4378 15.2203 15.2203 15.2237 15.2237 15.3959 15.3959 15.4076 15.4076 k = 0.0431 0.2738-0.0000 ( 2716 PWs) bands (ev): -1.8382 -1.8382 -1.8382 -1.8382 1.3643 1.3643 1.3658 1.3658 4.7226 4.7226 4.7243 4.7243 8.8736 8.8736 8.8742 8.8742 9.0059 9.0059 9.0065 9.0065 10.1751 10.1751 10.2016 10.2016 10.4274 10.4274 10.4661 10.4661 10.8277 10.8277 10.8388 10.8388 11.4482 11.4482 11.4492 11.4492 15.2329 15.2329 15.2368 15.2368 15.4982 15.4982 15.5099 15.5099 k = 0.0345 0.2738-0.0000 ( 2716 PWs) bands (ev): -1.8495 -1.8495 -1.8495 -1.8495 1.3530 1.3530 1.3542 1.3542 4.7116 4.7116 4.7129 4.7129 8.8765 8.8765 8.8771 8.8771 9.0023 9.0023 9.0028 9.0028 10.2041 10.2041 10.2311 10.2311 10.4152 10.4152 10.4531 10.4531 10.8142 10.8142 10.8241 10.8241 11.4577 11.4577 11.4586 11.4586 15.2376 15.2376 15.2411 15.2411 15.5929 15.5929 15.6055 15.6055 k = 0.0259 0.2738-0.0000 ( 2718 PWs) bands (ev): -1.8583 -1.8583 -1.8582 -1.8582 1.3443 1.3443 1.3452 1.3452 4.7031 4.7031 4.7041 4.7041 8.8785 8.8785 8.8790 8.8790 8.9996 8.9996 9.0000 9.0000 10.2320 10.2320 10.2588 10.2588 10.4021 10.4021 10.4376 10.4376 10.8032 10.8032 10.8114 10.8114 11.4652 11.4652 11.4659 11.4659 15.2397 15.2397 15.2424 15.2424 15.6710 15.6710 15.6839 15.6839 k = 0.0172 0.2738-0.0000 ( 2712 PWs) bands (ev): -1.8646 -1.8646 -1.8645 -1.8645 1.3381 1.3381 1.3387 1.3387 4.6971 4.6971 4.6977 4.6977 8.8799 8.8799 8.8803 8.8803 8.9978 8.9978 8.9980 8.9980 10.2580 10.2580 10.2825 10.2825 10.3897 10.3897 10.4204 10.4204 10.7955 10.7955 10.8013 10.8013 11.4707 11.4707 11.4713 11.4713 15.2408 15.2408 15.2426 15.2426 15.7280 15.7280 15.7394 15.7394 k = 0.0086 0.2738-0.0000 ( 2720 PWs) bands (ev): -1.8683 -1.8683 -1.8683 -1.8683 1.3344 1.3344 1.3347 1.3347 4.6935 4.6935 4.6938 4.6938 8.8806 8.8806 8.8809 8.8809 8.9966 8.9966 8.9968 8.9968 10.2803 10.2803 10.2968 10.2968 10.3829 10.3829 10.4026 10.4026 10.7913 10.7913 10.7943 10.7943 11.4740 11.4740 11.4744 11.4744 15.2414 15.2414 15.2424 15.2424 15.7629 15.7629 15.7696 15.7696 k = 0.0000 0.2738-0.0000 ( 2708 PWs) bands (ev): -1.8696 -1.8696 -1.8696 -1.8696 1.3333 1.3333 1.3333 1.3333 4.6924 4.6924 4.6924 4.6924 8.8810 8.8810 8.8811 8.8811 8.9963 8.9963 8.9965 8.9965 10.2955 10.2955 10.2957 10.2957 10.3878 10.3878 10.3881 10.3881 10.7908 10.7908 10.7910 10.7910 11.4753 11.4753 11.4756 11.4756 15.2419 15.2419 15.2420 15.2420 15.7765 15.7765 15.7767 15.7767 k = 0.0000 0.2738-0.0000 ( 2708 PWs) bands (ev): -1.8696 -1.8696 -1.8696 -1.8696 1.3333 1.3333 1.3333 1.3333 4.6924 4.6924 4.6924 4.6924 8.8810 8.8810 8.8811 8.8811 8.9963 8.9963 8.9965 8.9965 10.2955 10.2955 10.2957 10.2957 10.3878 10.3878 10.3881 10.3881 10.7908 10.7908 10.7910 10.7910 11.4753 11.4753 11.4756 11.4756 15.2419 15.2419 15.2420 15.2420 15.7765 15.7765 15.7767 15.7767 k = 0.0000 0.2652-0.0000 ( 2710 PWs) bands (ev): -1.9389 -1.9389 -1.7992 -1.7992 1.3258 1.3258 1.3401 1.3401 4.6916 4.6916 4.6991 4.6991 8.7695 8.7695 8.9607 8.9607 9.0022 9.0022 9.0128 9.0128 10.2844 10.2844 10.3024 10.3024 10.3682 10.3682 10.4117 10.4117 10.7648 10.7648 10.8167 10.8167 11.4706 11.4706 11.4804 11.4804 15.1268 15.1268 15.3588 15.3588 15.7414 15.7414 15.8142 15.8142 k = 0.0000 0.2567-0.0000 ( 2710 PWs) bands (ev): -2.0070 -2.0070 -1.7279 -1.7279 1.3179 1.3179 1.3460 1.3460 4.6966 4.6966 4.7117 4.7117 8.6492 8.6492 8.9508 8.9508 9.0290 9.0290 9.0877 9.0877 10.2673 10.2673 10.3070 10.3070 10.3546 10.3546 10.4367 10.4367 10.7394 10.7394 10.8416 10.8416 11.4660 11.4660 11.4855 11.4855 15.0143 15.0143 15.4758 15.4758 15.7101 15.7101 15.7687 15.7687 k = 0.0000 0.2481-0.0000 ( 2710 PWs) bands (ev): -2.0738 -2.0738 -1.6560 -1.6560 1.3098 1.3098 1.3510 1.3510 4.7071 4.7071 4.7303 4.7303 8.5219 8.5219 8.9310 8.9310 9.0441 9.0441 9.1723 9.1723 10.2447 10.2447 10.3104 10.3104 10.3471 10.3471 10.4594 10.4594 10.7168 10.7168 10.8654 10.8654 11.4616 11.4616 11.4908 11.4908 14.9054 14.9054 15.5870 15.5870 15.6794 15.6794 15.6921 15.6921 k = 0.0000 0.2396-0.0000 ( 2714 PWs) bands (ev): -2.1392 -2.1392 -1.5836 -1.5836 1.3017 1.3017 1.3548 1.3548 4.7230 4.7230 4.7551 4.7551 8.3887 8.3887 8.9099 8.9099 9.0574 9.0574 9.2471 9.2471 10.2183 10.2183 10.3130 10.3130 10.3438 10.3438 10.4755 10.4755 10.7007 10.7007 10.8881 10.8881 11.4573 11.4573 11.4961 11.4961 14.8005 14.8005 15.5944 15.5944 15.6383 15.6383 15.7346 15.7346 k = 0.0000 0.2310-0.0000 ( 2718 PWs) bands (ev): -2.2029 -2.2029 -1.5110 -1.5110 1.2941 1.2941 1.3574 1.3574 4.7441 4.7441 4.7858 4.7858 8.2506 8.2506 8.8882 8.8882 9.0687 9.0687 9.3112 9.3112 10.1895 10.1895 10.3153 10.3153 10.3433 10.3433 10.4796 10.4796 10.6956 10.6956 10.9095 10.9095 11.4534 11.4534 11.5015 11.5015 14.7003 14.7003 15.5092 15.5092 15.6291 15.6291 15.8433 15.8433 k = 0.0000 0.2224-0.0000 ( 2724 PWs) bands (ev): -2.2650 -2.2650 -1.4384 -1.4384 1.2873 1.2873 1.3588 1.3588 4.7702 4.7702 4.8226 4.8226 8.1083 8.1083 8.8662 8.8662 9.0776 9.0776 9.3644 9.3644 10.1592 10.1592 10.3174 10.3174 10.3444 10.3444 10.4690 10.4690 10.7041 10.7041 10.9298 10.9298 11.4495 11.4495 11.5069 11.5069 14.6053 14.6053 15.4247 15.4247 15.6206 15.6206 15.9559 15.9559 k = 0.0000 0.2139-0.0000 ( 2724 PWs) bands (ev): -2.3253 -2.3253 -1.3662 -1.3662 1.2815 1.2815 1.3590 1.3590 4.8009 4.8009 4.8654 4.8654 7.9627 7.9627 8.8440 8.8440 9.0838 9.0838 9.4063 9.4063 10.1277 10.1277 10.3194 10.3194 10.3467 10.3467 10.4460 10.4460 10.7232 10.7232 10.9492 10.9492 11.4461 11.4461 11.5124 11.5124 14.5158 14.5158 15.3413 15.3413 15.6188 15.6188 16.0373 16.0373 k = 0.0000 0.2053-0.0000 ( 2724 PWs) bands (ev): -2.3837 -2.3837 -1.2945 -1.2945 1.2773 1.2773 1.3579 1.3579 4.8360 4.8360 4.9140 4.9140 7.8145 7.8145 8.8217 8.8217 9.0870 9.0870 9.4370 9.4370 10.0953 10.0953 10.3213 10.3213 10.3498 10.3498 10.4154 10.4154 10.7483 10.7483 10.9676 10.9676 11.4430 11.4430 11.5179 11.5179 14.4322 14.4322 15.2595 15.2595 15.6254 15.6254 16.0703 16.0703 k = 0.0000 0.1968-0.0000 ( 2724 PWs) bands (ev): -2.4402 -2.4402 -1.2238 -1.2238 1.2749 1.2749 1.3558 1.3558 4.8753 4.8753 4.9684 4.9684 7.6644 7.6644 8.7996 8.7996 9.0866 9.0866 9.4557 9.4557 10.0623 10.0623 10.3225 10.3225 10.3532 10.3532 10.3818 10.3818 10.7757 10.7757 10.9852 10.9852 11.4403 11.4403 11.5233 11.5233 14.3548 14.3548 15.1793 15.1793 15.6409 15.6409 16.1002 16.1002 k = 0.0000 0.1882-0.0000 ( 2730 PWs) bands (ev): -2.4947 -2.4947 -1.1545 -1.1545 1.2749 1.2749 1.3526 1.3526 4.9184 4.9184 5.0283 5.0283 7.5131 7.5131 8.7776 8.7776 9.0822 9.0822 9.4624 9.4624 10.0289 10.0289 10.3193 10.3193 10.3478 10.3478 10.3605 10.3605 10.8028 10.8028 11.0022 11.0022 11.4378 11.4378 11.5288 11.5288 14.2836 14.2836 15.1010 15.1010 15.6657 15.6657 16.1276 16.1276 k = 0.0000 0.1797-0.0000 ( 2736 PWs) bands (ev): -2.5471 -2.5471 -1.0867 -1.0867 1.2775 1.2775 1.3484 1.3484 4.9650 4.9650 5.0936 5.0936 7.3613 7.3613 8.7560 8.7560 9.0733 9.0733 9.4562 9.4562 9.9956 9.9956 10.2979 10.2979 10.3374 10.3374 10.3638 10.3638 10.8284 10.8284 11.0186 11.0186 11.4357 11.4357 11.5342 11.5342 14.2186 14.2186 15.0247 15.0247 15.6999 15.6999 16.1525 16.1525 k = 0.0000 0.1711-0.0000 ( 2736 PWs) bands (ev): -2.5973 -2.5973 -1.0211 -1.0211 1.2832 1.2832 1.3434 1.3434 5.0147 5.0147 5.1642 5.1642 7.2094 7.2094 8.7348 8.7348 9.0596 9.0596 9.4375 9.4375 9.9627 9.9627 10.2669 10.2669 10.3378 10.3378 10.3686 10.3686 10.8515 10.8515 11.0347 11.0347 11.4340 11.4340 11.5394 11.5394 14.1600 14.1600 14.9506 14.9506 15.7431 15.7431 16.1751 16.1751 k = 0.0000 0.1626-0.0000 ( 2742 PWs) bands (ev): -2.6454 -2.6454 -0.9579 -0.9579 1.2922 1.2922 1.3377 1.3377 5.0672 5.0672 5.2398 5.2398 7.0583 7.0583 8.7142 8.7142 9.0406 9.0406 9.4055 9.4055 9.9308 9.9308 10.2373 10.2373 10.3403 10.3403 10.3738 10.3738 10.8718 10.8718 11.0503 11.0503 11.4325 11.4325 11.5446 11.5446 14.1075 14.1075 14.8789 14.8789 15.7950 15.7950 16.1952 16.1952 k = 0.0000 0.1540-0.0000 ( 2738 PWs) bands (ev): -2.6913 -2.6913 -0.8974 -0.8974 1.3048 1.3048 1.3315 1.3315 5.1220 5.1220 5.3203 5.3203 6.9085 6.9085 8.6941 8.6941 9.0159 9.0159 9.3604 9.3604 9.9004 9.9004 10.2114 10.2114 10.3434 10.3434 10.3793 10.3793 10.8891 10.8891 11.0657 11.0657 11.4315 11.4315 11.5496 11.5496 14.0611 14.0611 14.8097 14.8097 15.8549 15.8549 16.2130 16.2130 k = 0.0000 0.1454-0.0000 ( 2738 PWs) bands (ev): -2.7349 -2.7349 -0.8402 -0.8402 1.3190 1.3190 1.3273 1.3273 5.1786 5.1786 5.4054 5.4054 6.7608 6.7608 8.6748 8.6748 8.9853 8.9853 9.3027 9.3027 9.8720 9.8720 10.1897 10.1897 10.3467 10.3467 10.3848 10.3848 10.9035 10.9035 11.0808 11.0808 11.4306 11.4306 11.5545 11.5545 14.0204 14.0204 14.7431 14.7431 15.9218 15.9218 16.2286 16.2286 k = 0.0000 0.1369-0.0000 ( 2738 PWs) bands (ev): -2.7761 -2.7761 -0.7864 -0.7864 1.3162 1.3162 1.3438 1.3438 5.2365 5.2365 5.4949 5.4949 6.6159 6.6159 8.6561 8.6561 8.9489 8.9489 9.2334 9.2334 9.8460 9.8460 10.1722 10.1722 10.3502 10.3502 10.3905 10.3905 10.9151 10.9151 11.0956 11.0956 11.4302 11.4302 11.5592 11.5592 13.9851 13.9851 14.6794 14.6794 15.9946 15.9946 16.2422 16.2422 k = 0.0000 0.1283-0.0000 ( 2738 PWs) bands (ev): -2.8151 -2.8151 -0.7364 -0.7364 1.3090 1.3090 1.3685 1.3685 5.2947 5.2947 5.5887 5.5887 6.4749 6.4749 8.6382 8.6382 8.9068 8.9068 9.1537 9.1537 9.8226 9.8226 10.1583 10.1583 10.3538 10.3538 10.3961 10.3961 10.9243 10.9243 11.1101 11.1101 11.4301 11.4301 11.5637 11.5637 13.9547 13.9547 14.6185 14.6185 16.0720 16.0720 16.2540 16.2540 k = 0.0000 0.1198-0.0000 ( 2734 PWs) bands (ev): -2.8516 -2.8516 -0.6903 -0.6903 1.3016 1.3016 1.3975 1.3975 5.3521 5.3521 5.6864 5.6864 6.3391 6.3391 8.6211 8.6211 8.8594 8.8594 9.0648 9.0648 9.8019 9.8019 10.1476 10.1476 10.3573 10.3573 10.4018 10.4018 10.9312 10.9312 11.1242 11.1242 11.4304 11.4304 11.5680 11.5680 13.9290 13.9290 14.5608 14.5608 16.1519 16.1519 16.2647 16.2647 k = 0.0000 0.1112-0.0000 ( 2732 PWs) bands (ev): -2.8858 -2.8858 -0.6482 -0.6482 1.2940 1.2940 1.4305 1.4305 5.4070 5.4070 5.7879 5.7879 6.2105 6.2105 8.6048 8.6048 8.8075 8.8075 8.9681 8.9681 9.7839 9.7839 10.1394 10.1394 10.3609 10.3609 10.4072 10.4072 10.9363 10.9363 11.1379 11.1379 11.4309 11.4309 11.5720 11.5720 13.9076 13.9076 14.5063 14.5063 16.2272 16.2272 16.2799 16.2799 k = 0.0000 0.1027-0.0000 ( 2740 PWs) bands (ev): -2.9175 -2.9175 -0.6103 -0.6103 1.2866 1.2866 1.4669 1.4669 5.4561 5.4561 5.8929 5.8929 6.0925 6.0925 8.5891 8.5891 8.7516 8.7516 8.8650 8.8650 9.7684 9.7684 10.1331 10.1331 10.3643 10.3643 10.4125 10.4125 10.9398 10.9398 11.1511 11.1511 11.4315 11.4315 11.5759 11.5759 13.8898 13.8898 14.4551 14.4551 16.2617 16.2617 16.3313 16.3313 k = 0.0000 0.0941-0.0000 ( 2732 PWs) bands (ev): -2.9467 -2.9467 -0.5764 -0.5764 1.2794 1.2794 1.5063 1.5063 5.4933 5.4933 5.9890 5.9890 6.0035 6.0035 8.5738 8.5738 8.6923 8.6923 8.7576 8.7576 9.7553 9.7553 10.1284 10.1284 10.3677 10.3677 10.4176 10.4176 10.9420 10.9420 11.1639 11.1639 11.4325 11.4325 11.5795 11.5795 13.8754 13.8754 14.4074 14.4074 16.2667 16.2667 16.3401 16.3401 k = 0.0000 0.0856-0.0000 ( 2728 PWs) bands (ev): -2.9735 -2.9735 -0.5466 -0.5466 1.2725 1.2725 1.5479 1.5479 5.5077 5.5077 5.9177 5.9177 6.1132 6.1132 8.5559 8.5559 8.6265 8.6265 8.6539 8.6539 9.7442 9.7442 10.1248 10.1248 10.3709 10.3709 10.4224 10.4224 10.9432 10.9432 11.1759 11.1759 11.4336 11.4336 11.5829 11.5829 13.8641 13.8641 14.3633 14.3633 16.2635 16.2635 16.3253 16.3253 k = 0.0000 0.0770-0.0000 ( 2723 PWs) bands (ev): -2.9978 -2.9978 -0.5205 -0.5205 1.2660 1.2660 1.5909 1.5909 5.4870 5.4870 5.8848 5.8848 6.2276 6.2276 8.5013 8.5013 8.5620 8.5620 8.5821 8.5821 9.7350 9.7350 10.1221 10.1221 10.3740 10.3740 10.4269 10.4269 10.9436 10.9436 11.1871 11.1871 11.4348 11.4348 11.5859 11.5859 13.8553 13.8553 14.3230 14.3230 16.2539 16.2539 16.3159 16.3159 k = 0.0000 0.0684-0.0000 ( 2723 PWs) bands (ev): -3.0196 -3.0196 -0.4980 -0.4980 1.2599 1.2599 1.6343 1.6343 5.4337 5.4337 5.8898 5.8898 6.3449 6.3449 8.3886 8.3886 8.5156 8.5156 8.5490 8.5490 9.7272 9.7272 10.1200 10.1200 10.3768 10.3768 10.4310 10.4310 10.9435 10.9435 11.1975 11.1975 11.4360 11.4360 11.5887 11.5887 13.8486 13.8486 14.2865 14.2865 16.2400 16.2400 16.3112 16.3112 k = 0.0000 0.0599-0.0000 ( 2727 PWs) bands (ev): -3.0388 -3.0388 -0.4789 -0.4789 1.2544 1.2544 1.6770 1.6770 5.3640 5.3640 5.9169 5.9169 6.4646 6.4646 8.2657 8.2657 8.4591 8.4591 8.5367 8.5367 9.7209 9.7209 10.1185 10.1185 10.3792 10.3792 10.4346 10.4346 10.9429 10.9429 11.2069 11.2069 11.4372 11.4372 11.5912 11.5912 13.8436 13.8436 14.2541 14.2541 16.2248 16.2248 16.3089 16.3089 k = 0.0000 0.0513-0.0000 ( 2733 PWs) bands (ev): -3.0555 -3.0555 -0.4630 -0.4630 1.2495 1.2495 1.7176 1.7176 5.2912 5.2912 5.9525 5.9525 6.5866 6.5866 8.1393 8.1393 8.4056 8.4056 8.5275 8.5275 9.7157 9.7157 10.1173 10.1173 10.3813 10.3813 10.4379 10.4379 10.9422 10.9422 11.2152 11.2152 11.4383 11.4383 11.5933 11.5933 13.8400 13.8400 14.2257 14.2257 16.2102 16.2102 16.3076 16.3076 k = 0.0000 0.0428-0.0000 ( 2741 PWs) bands (ev): -3.0697 -3.0697 -0.4499 -0.4499 1.2453 1.2453 1.7550 1.7550 5.2229 5.2229 5.9895 5.9895 6.7106 6.7106 8.0107 8.0107 8.3570 8.3570 8.5200 8.5200 9.7116 9.7116 10.1164 10.1164 10.3832 10.3832 10.4407 10.4407 10.9413 10.9413 11.2225 11.2225 11.4394 11.4394 11.5952 11.5952 13.8374 13.8374 14.2015 14.2015 16.1971 16.1971 16.3067 16.3067 k = 0.0000 0.0342-0.0000 ( 2745 PWs) bands (ev): -3.0812 -3.0812 -0.4396 -0.4396 1.2418 1.2418 1.7879 1.7879 5.1630 5.1630 6.0238 6.0238 6.8365 6.8365 7.8807 7.8807 8.3148 8.3148 8.5138 8.5138 9.7083 9.7083 10.1157 10.1157 10.3849 10.3849 10.4431 10.4431 10.9404 10.9404 11.2285 11.2285 11.4404 11.4404 11.5967 11.5967 13.8357 13.8357 14.1815 14.1815 16.1859 16.1859 16.3059 16.3059 k = 0.0000 0.0257-0.0000 ( 2747 PWs) bands (ev): -3.0903 -3.0903 -0.4318 -0.4318 1.2391 1.2391 1.8150 1.8150 5.1142 5.1142 6.0528 6.0528 6.9639 6.9639 7.7499 7.7499 8.2803 8.2803 8.5092 8.5092 9.7057 9.7057 10.1153 10.1153 10.3862 10.3862 10.4448 10.4448 10.9398 10.9398 11.2332 11.2332 11.4412 11.4412 11.5979 11.5979 13.8346 13.8346 14.1660 14.1660 16.1771 16.1771 16.3053 16.3053 k = 0.0000 0.0171-0.0000 ( 2745 PWs) bands (ev): -3.0967 -3.0967 -0.4263 -0.4263 1.2371 1.2371 1.8352 1.8352 5.0781 5.0781 6.0748 6.0748 7.0924 7.0924 7.6189 7.6189 8.2547 8.2547 8.5059 8.5059 9.7041 9.7041 10.1151 10.1151 10.3871 10.3871 10.4461 10.4461 10.9393 10.9393 11.2368 11.2368 11.4417 11.4417 11.5988 11.5988 13.8340 13.8340 14.1548 14.1548 16.1706 16.1706 16.3049 16.3049 k = 0.0000 0.0086-0.0000 ( 2739 PWs) bands (ev): -3.1006 -3.1006 -0.4230 -0.4230 1.2359 1.2359 1.8478 1.8478 5.0561 5.0561 6.0885 6.0885 7.2212 7.2212 7.4885 7.4885 8.2389 8.2389 8.5040 8.5040 9.7031 9.7031 10.1149 10.1149 10.3878 10.3878 10.4469 10.4469 10.9389 10.9389 11.2389 11.2389 11.4421 11.4421 11.5993 11.5993 13.8337 13.8337 14.1481 14.1481 16.1667 16.1667 16.3046 16.3046 k = 0.0000 0.0000 0.0000 ( 2737 PWs) bands (ev): -3.1019 -3.1019 -0.4220 -0.4220 1.2355 1.2355 1.8520 1.8520 5.0486 5.0486 6.0931 6.0931 7.3288 7.3288 7.3803 7.3803 8.2335 8.2335 8.5033 8.5033 9.7028 9.7028 10.1149 10.1149 10.3880 10.3880 10.4472 10.4472 10.9388 10.9388 11.2396 11.2396 11.4422 11.4422 11.5995 11.5995 13.8336 13.8336 14.1458 14.1458 16.1654 16.1654 16.3045 16.3045 k = 0.0000 0.0000 0.0000 ( 2737 PWs) bands (ev): -3.1019 -3.1019 -0.4220 -0.4220 1.2355 1.2355 1.8520 1.8520 5.0486 5.0486 6.0931 6.0931 7.3288 7.3288 7.3803 7.3803 8.2335 8.2335 8.5033 8.5033 9.7028 9.7028 10.1149 10.1149 10.3880 10.3880 10.4472 10.4472 10.9388 10.9388 11.2396 11.2396 11.4422 11.4422 11.5995 11.5995 13.8336 13.8336 14.1458 14.1458 16.1654 16.1654 16.3045 16.3045 k = 0.0000 0.0000 0.0086 ( 2735 PWs) bands (ev): -3.1006 -3.1006 -0.4270 -0.4270 1.2392 1.2392 1.8525 1.8525 5.0481 5.0481 6.0944 6.0944 7.3330 7.3330 7.3657 7.3657 8.2274 8.2274 8.5243 8.5243 9.7036 9.7036 10.1145 10.1145 10.3881 10.3881 10.4472 10.4472 10.9384 10.9384 11.2394 11.2394 11.4422 11.4422 11.5990 11.5990 13.8340 13.8340 14.1477 14.1477 16.1636 16.1636 16.2909 16.2909 k = 0.0000 0.0000 0.0172 ( 2731 PWs) bands (ev): -3.0967 -3.0967 -0.4421 -0.4421 1.2502 1.2502 1.8539 1.8539 5.0467 5.0467 6.0982 6.0982 7.3236 7.3236 7.3457 7.3457 8.2138 8.2138 8.5803 8.5803 9.7059 9.7059 10.1132 10.1132 10.3883 10.3883 10.4472 10.4472 10.9372 10.9372 11.2386 11.2386 11.4419 11.4419 11.5975 11.5975 13.8350 13.8350 14.1531 14.1531 16.1569 16.1569 16.2505 16.2505 k = 0.0000 0.0000 0.0258 ( 2729 PWs) bands (ev): -3.0903 -3.0903 -0.4667 -0.4667 1.2679 1.2679 1.8563 1.8563 5.0441 5.0441 6.1051 6.1051 7.2595 7.2595 7.3659 7.3659 8.1993 8.1993 8.6598 8.6598 9.7099 9.7099 10.1111 10.1111 10.3887 10.3887 10.4472 10.4472 10.9352 10.9352 11.2374 11.2374 11.4413 11.4413 11.5951 11.5951 13.8368 13.8368 14.1621 14.1621 16.1351 16.1351 16.1921 16.1921 k = 0.0000 0.0000 0.0344 ( 2727 PWs) bands (ev): -3.0813 -3.0813 -0.5001 -0.5001 1.2918 1.2918 1.8596 1.8596 5.0401 5.0401 6.1157 6.1157 7.1787 7.1787 7.3936 7.3936 8.1866 8.1866 8.7539 8.7539 9.7153 9.7153 10.1078 10.1078 10.3892 10.3892 10.4471 10.4471 10.9323 10.9323 11.2357 11.2357 11.4405 11.4405 11.5918 11.5918 13.8393 13.8393 14.1747 14.1747 16.0551 16.0551 16.1598 16.1598 k = 0.0000 0.0000 0.0430 ( 2727 PWs) bands (ev): -3.0698 -3.0698 -0.5414 -0.5414 1.3209 1.3209 1.8639 1.8639 5.0346 5.0346 6.1307 6.1307 7.0864 7.0864 7.4281 7.4281 8.1759 8.1759 8.8572 8.8572 9.7223 9.7223 10.1036 10.1036 10.3899 10.3899 10.4470 10.4470 10.9287 10.9287 11.2335 11.2335 11.4395 11.4395 11.5875 11.5875 13.8427 13.8427 14.1907 14.1907 15.9321 15.9321 16.1440 16.1440 k = 0.0000 0.0000 0.0516 ( 2733 PWs) bands (ev): -3.0557 -3.0557 -0.5896 -0.5896 1.3542 1.3542 1.8690 1.8690 5.0272 5.0272 6.1509 6.1509 6.9866 6.9866 7.4686 7.4686 8.1666 8.1666 8.9659 8.9659 9.7307 9.7307 10.0983 10.0983 10.3906 10.3906 10.4469 10.4469 10.9246 10.9246 11.2309 11.2309 11.4383 11.4383 11.5825 11.5825 13.8467 13.8467 14.2101 14.2101 15.7906 15.7906 16.1286 16.1286 k = 0.0000 0.0000 0.0602 ( 2729 PWs) bands (ev): -3.0391 -3.0391 -0.6438 -0.6438 1.3910 1.3910 1.8749 1.8749 5.0180 5.0180 6.1770 6.1770 6.8820 6.8820 7.5144 7.5144 8.1582 8.1582 9.0774 9.0774 9.7407 9.7407 10.0916 10.0916 10.3915 10.3915 10.4468 10.4468 10.9201 10.9201 11.2280 11.2280 11.4369 11.4369 11.5768 11.5768 13.8518 13.8518 14.2328 14.2328 15.6404 15.6404 16.1113 16.1113 k = 0.0000 0.0000 0.0688 ( 2725 PWs) bands (ev): -3.0200 -3.0200 -0.7029 -0.7029 1.4302 1.4302 1.8817 1.8817 5.0069 5.0069 6.2095 6.2095 6.7747 6.7747 7.5648 7.5648 8.1500 8.1500 9.1893 9.1893 9.7522 9.7522 10.0835 10.0835 10.3925 10.3925 10.4467 10.4467 10.9154 10.9154 11.2248 11.2248 11.4354 11.4354 11.5705 11.5705 13.8579 13.8579 14.2588 14.2588 15.4877 15.4877 16.0917 16.0917 k = 0.0000 0.0000 0.0774 ( 2725 PWs) bands (ev): -2.9983 -2.9983 -0.7663 -0.7663 1.4711 1.4711 1.8891 1.8891 4.9940 4.9940 6.2487 6.2487 6.6662 6.6662 7.6190 7.6190 8.1416 8.1416 9.2999 9.2999 9.7651 9.7651 10.0739 10.0739 10.3937 10.3937 10.4465 10.4465 10.9108 10.9108 11.2214 11.2214 11.4337 11.4337 11.5635 11.5635 13.8652 13.8652 14.2877 14.2877 15.3367 15.3367 16.0694 16.0694 k = 0.0000 0.0000 0.0860 ( 2737 PWs) bands (ev): -2.9742 -2.9742 -0.8331 -0.8331 1.5131 1.5131 1.8972 1.8972 4.9798 4.9798 6.2946 6.2946 6.5574 6.5574 7.6764 7.6764 8.1327 8.1327 9.4072 9.4072 9.7793 9.7793 10.0625 10.0625 10.3948 10.3948 10.4463 10.4463 10.9068 10.9068 11.2177 11.2177 11.4320 11.4320 11.5561 11.5561 13.8735 13.8735 14.3197 14.3197 15.1903 15.1903 16.0442 16.0442 k = 0.0000 0.0000 0.0946 ( 2733 PWs) bands (ev): -2.9475 -2.9475 -0.9027 -0.9027 1.5554 1.5554 1.9059 1.9059 4.9646 4.9646 6.3468 6.3468 6.4495 6.4495 7.7366 7.7366 8.1233 8.1233 9.5095 9.5095 9.7949 9.7949 10.0495 10.0495 10.3965 10.3965 10.4461 10.4461 10.9039 10.9039 11.2141 11.2141 11.4303 11.4303 11.5483 11.5483 13.8834 13.8834 14.3544 14.3544 15.0508 15.0508 16.0155 16.0155 k = 0.0000 0.0000 0.1032 ( 2729 PWs) bands (ev): -2.9184 -2.9184 -0.9745 -0.9745 1.5976 1.5976 1.9150 1.9150 4.9490 4.9490 6.3408 6.3408 6.4072 6.4072 7.7990 7.7990 8.1129 8.1129 9.6042 9.6042 9.8118 9.8118 10.0351 10.0351 10.3981 10.3981 10.4459 10.4459 10.9028 10.9028 11.2106 11.2106 11.4285 11.4285 11.5403 11.5403 13.8947 13.8947 14.3918 14.3918 14.9198 14.9198 15.9811 15.9811 k = 0.0000 0.0000 0.1117 ( 2733 PWs) bands (ev): -2.8869 -2.8869 -1.0479 -1.0479 1.6392 1.6392 1.9246 1.9246 4.9335 4.9335 6.2361 6.2361 6.4712 6.4712 7.8632 7.8632 8.1013 8.1013 9.6882 9.6882 9.8297 9.8297 10.0204 10.0204 10.3998 10.3998 10.4456 10.4456 10.9042 10.9042 11.2071 11.2071 11.4268 11.4268 11.5320 11.5320 13.9076 13.9076 14.4317 14.4317 14.7990 14.7990 15.9263 15.9263 k = 0.0000 0.0000 0.1203 ( 2735 PWs) bands (ev): -2.8529 -2.8529 -1.1226 -1.1226 1.6798 1.6798 1.9344 1.9344 4.9187 4.9187 6.1329 6.1329 6.5410 6.5410 7.9290 7.9290 8.0885 8.0885 9.7562 9.7562 9.8488 9.8488 10.0089 10.0089 10.4018 10.4018 10.4453 10.4453 10.9090 10.9090 11.2038 11.2038 11.4252 11.4252 11.5236 11.5236 13.9223 13.9223 14.4738 14.4738 14.6897 14.6897 15.8448 15.8448 k = 0.0000 0.0000 0.1289 ( 2735 PWs) bands (ev): -2.8165 -2.8165 -1.1981 -1.1981 1.7190 1.7190 1.9444 1.9444 4.9053 4.9053 6.0321 6.0321 6.6155 6.6155 7.9961 7.9961 8.0741 8.0741 9.7992 9.7992 9.8687 9.8687 10.0075 10.0075 10.4040 10.4040 10.4449 10.4449 10.9177 10.9177 11.2007 11.2007 11.4236 11.4236 11.5152 11.5152 13.9389 13.9389 14.5178 14.5178 14.5932 14.5932 15.7571 15.7571 k = 0.0000 0.0000 0.1375 ( 2735 PWs) bands (ev): -2.7778 -2.7778 -1.2741 -1.2741 1.7566 1.7566 1.9545 1.9545 4.8937 4.8937 5.9340 5.9340 6.6938 6.6938 8.0580 8.0580 8.0644 8.0644 9.8090 9.8090 9.8893 9.8893 10.0231 10.0231 10.4064 10.4064 10.4445 10.4445 10.9310 10.9310 11.1980 11.1980 11.4222 11.4222 11.5068 11.5068 13.9575 13.9575 14.5079 14.5079 14.5661 14.5661 15.6684 15.6684 k = 0.0000 0.0000 0.1461 ( 2737 PWs) bands (ev): -2.7367 -2.7367 -1.3503 -1.3503 1.7922 1.7922 1.9644 1.9644 4.8847 4.8847 5.8390 5.8390 6.7752 6.7752 8.0400 8.0400 8.1337 8.1337 9.7898 9.7898 9.9104 9.9104 10.0508 10.0508 10.4090 10.4090 10.4440 10.4440 10.9486 10.9486 11.1956 11.1956 11.4209 11.4209 11.4985 11.4985 13.9783 13.9783 14.4392 14.4392 14.6139 14.6139 15.5802 15.5802 k = 0.0000 0.0000 0.1547 ( 2737 PWs) bands (ev): -2.6933 -2.6933 -1.4265 -1.4265 1.8256 1.8256 1.9740 1.9740 4.8786 4.8786 5.7473 5.7473 6.8589 6.8589 8.0197 8.0197 8.2042 8.2042 9.7520 9.7520 9.9318 9.9318 10.0798 10.0798 10.4118 10.4118 10.4435 10.4435 10.9703 10.9703 11.1936 11.1936 11.4198 11.4198 11.4905 11.4905 14.0013 14.0013 14.3843 14.3843 14.6639 14.6639 15.4937 15.4937 k = 0.0000 0.0000 0.1633 ( 2731 PWs) bands (ev): -2.6477 -2.6477 -1.5023 -1.5023 1.8567 1.8567 1.9832 1.9832 4.8761 4.8761 5.6591 5.6591 6.9440 6.9440 7.9971 7.9971 8.2760 8.2760 9.7020 9.7020 9.9534 9.9534 10.1046 10.1046 10.4147 10.4147 10.4429 10.4429 10.9948 10.9948 11.1919 11.1919 11.4191 11.4191 11.4827 11.4827 14.0267 14.0267 14.3437 14.3437 14.7156 14.7156 15.4099 15.4099 k = 0.0000 0.0000 0.1719 ( 2731 PWs) bands (ev): -2.5998 -2.5998 -1.5776 -1.5776 1.8852 1.8852 1.9917 1.9917 4.8774 4.8774 5.5748 5.5748 7.0296 7.0296 7.9718 7.9718 8.3491 8.3491 9.6431 9.6431 9.9748 9.9748 10.1233 10.1233 10.4176 10.4176 10.4423 10.4423 11.0209 11.0209 11.1904 11.1904 11.4186 11.4186 11.4752 11.4752 14.0542 14.0542 14.3170 14.3170 14.7686 14.7686 15.3301 15.3301 k = 0.0000 0.0000 0.1805 ( 2735 PWs) bands (ev): -2.5497 -2.5497 -1.6522 -1.6522 1.9110 1.9110 1.9994 1.9994 4.8829 4.8829 5.4945 5.4945 7.1149 7.1149 7.9434 7.9434 8.4237 8.4237 9.5766 9.5766 9.9958 9.9958 10.1361 10.1361 10.4203 10.4203 10.4416 10.4416 11.0470 11.0470 11.1891 11.1891 11.4185 11.4185 11.4680 11.4680 14.0839 14.0839 14.3029 14.3029 14.8229 14.8229 15.2557 15.2557 k = 0.0000 0.0000 0.1891 ( 2731 PWs) bands (ev): -2.4974 -2.4974 -1.7259 -1.7259 1.9340 1.9340 2.0061 2.0061 4.8931 4.8931 5.4184 5.4184 7.1989 7.1989 7.9118 7.9118 8.5000 8.5000 9.5040 9.5040 10.0164 10.0164 10.1437 10.1437 10.4230 10.4230 10.4408 10.4408 11.0721 11.0721 11.1878 11.1878 11.4189 11.4189 11.4613 11.4613 14.1157 14.1157 14.2995 14.2995 14.8781 14.8781 15.1886 15.1886 k = 0.0000 0.0000 0.1977 ( 2729 PWs) bands (ev): -2.4431 -2.4431 -1.7985 -1.7985 1.9542 1.9542 2.0116 2.0116 4.9081 4.9081 5.3468 5.3468 7.2808 7.2808 7.8766 7.8766 8.5782 8.5782 9.4264 9.4264 10.0361 10.0361 10.1467 10.1467 10.4254 10.4254 10.4400 10.4400 11.0950 11.0950 11.1865 11.1865 11.4197 11.4197 11.4551 11.4551 14.1491 14.1491 14.3041 14.3041 14.9340 14.9340 15.1314 15.1314 k = 0.0000 0.0000 0.2063 ( 2737 PWs) bands (ev): -2.3867 -2.3867 -1.8700 -1.8700 1.9715 1.9715 2.0156 2.0156 4.9282 4.9282 5.2798 5.2798 7.3599 7.3599 7.8374 7.8374 8.6584 8.6584 9.3446 9.3446 10.0548 10.0548 10.1461 10.1461 10.4275 10.4275 10.4390 10.4390 11.1151 11.1151 11.1846 11.1846 11.4209 11.4209 11.4492 11.4492 14.1835 14.1835 14.3127 14.3127 14.9899 14.9899 15.0876 15.0876 k = 0.0000 0.0000 0.2149 ( 2737 PWs) bands (ev): -2.3283 -2.3283 -1.9402 -1.9402 1.9859 1.9859 2.0179 2.0179 4.9536 4.9536 5.2177 5.2177 7.4355 7.4355 7.7940 7.7940 8.7407 8.7407 9.2599 9.2599 10.0723 10.0723 10.1423 10.1423 10.4295 10.4295 10.4380 10.4380 11.1323 11.1323 11.1821 11.1821 11.4227 11.4227 11.4439 11.4439 14.2179 14.2179 14.3210 14.3210 15.0385 15.0385 15.0678 15.0678 k = 0.0000 0.0000 0.2235 ( 2738 PWs) bands (ev): -2.2680 -2.2680 -2.0090 -2.0090 1.9976 1.9976 2.0184 2.0184 4.9842 4.9842 5.1605 5.1605 7.5069 7.5069 7.7461 7.7461 8.8248 8.8248 9.1732 9.1732 10.0884 10.0884 10.1358 10.1358 10.4313 10.4313 10.4369 10.4369 11.1465 11.1465 11.1785 11.1785 11.4250 11.4250 11.4391 11.4391 14.2509 14.2509 14.3241 14.3241 15.0452 15.0452 15.1099 15.1099 k = 0.0000 0.0000 0.2321 ( 2738 PWs) bands (ev): -2.2059 -2.2059 -2.0763 -2.0763 2.0065 2.0065 2.0167 2.0167 5.0203 5.0203 5.1085 5.1085 7.5739 7.5739 7.6936 7.6936 8.9107 8.9107 9.0856 9.0856 10.1031 10.1031 10.1269 10.1269 10.4329 10.4329 10.4357 10.4357 11.1579 11.1579 11.1735 11.1735 11.4277 11.4277 11.4348 11.4348 14.2803 14.2803 14.3187 14.3187 15.0600 15.0600 15.1456 15.1456 k = 0.0000 0.0000 0.2407 ( 2736 PWs) bands (ev): -2.1419 -2.1419 -2.1419 -2.1419 2.0128 2.0128 2.0129 2.0129 5.0617 5.0617 5.0617 5.0617 7.6361 7.6361 7.6363 7.6363 8.9978 8.9978 8.9979 8.9979 10.1158 10.1158 10.1161 10.1161 10.4342 10.4342 10.4346 10.4346 11.1667 11.1667 11.1669 11.1669 11.4308 11.4308 11.4312 11.4312 14.3036 14.3036 14.3038 14.3038 15.0954 15.0954 15.0955 15.0955 k = 0.0000 0.0000 0.2407 ( 2736 PWs) bands (ev): -2.1419 -2.1419 -2.1419 -2.1419 2.0128 2.0128 2.0129 2.0129 5.0617 5.0617 5.0617 5.0617 7.6361 7.6361 7.6363 7.6363 8.9978 8.9978 8.9979 8.9979 10.1158 10.1158 10.1161 10.1161 10.4342 10.4342 10.4346 10.4346 11.1667 11.1667 11.1669 11.1669 11.4308 11.4308 11.4312 11.4312 14.3036 14.3036 14.3038 14.3038 15.0954 15.0954 15.0955 15.0955 k = 0.0086-0.0000 0.2407 ( 2740 PWs) bands (ev): -2.1406 -2.1406 -2.1406 -2.1406 2.0139 2.0139 2.0139 2.0139 5.0628 5.0628 5.0630 5.0630 7.6371 7.6371 7.6373 7.6373 8.9971 8.9971 8.9978 8.9978 10.1155 10.1155 10.1159 10.1159 10.4339 10.4339 10.4343 10.4343 11.1594 11.1594 11.1691 11.1691 11.4273 11.4273 11.4371 11.4371 14.3040 14.3040 14.3042 14.3042 15.0804 15.0804 15.0966 15.0966 k = 0.0172-0.0000 0.2407 ( 2736 PWs) bands (ev): -2.1366 -2.1366 -2.1366 -2.1366 2.0170 2.0170 2.0170 2.0170 5.0663 5.0663 5.0667 5.0667 7.6401 7.6401 7.6406 7.6406 8.9957 8.9957 8.9972 8.9972 10.1148 10.1148 10.1154 10.1154 10.4332 10.4332 10.4336 10.4336 11.1475 11.1475 11.1660 11.1660 11.4265 11.4265 11.4452 11.4452 14.3052 14.3052 14.3055 14.3055 15.0505 15.0505 15.0790 15.0790 k = 0.0259-0.0000 0.2407 ( 2732 PWs) bands (ev): -2.1300 -2.1300 -2.1299 -2.1299 2.0221 2.0221 2.0222 2.0222 5.0721 5.0721 5.0728 5.0728 7.6452 7.6452 7.6459 7.6459 8.9936 8.9936 8.9958 8.9958 10.1136 10.1136 10.1144 10.1144 10.4319 10.4319 10.4323 10.4323 11.1316 11.1316 11.1575 11.1575 11.4285 11.4285 11.4548 11.4548 14.3072 14.3072 14.3075 14.3075 15.0024 15.0024 15.0352 15.0352 k = 0.0345-0.0000 0.2407 ( 2724 PWs) bands (ev): -2.1206 -2.1206 -2.1206 -2.1206 2.0293 2.0293 2.0294 2.0294 5.0803 5.0803 5.0813 5.0813 7.6524 7.6524 7.6533 7.6533 8.9908 8.9908 8.9938 8.9938 10.1119 10.1119 10.1128 10.1128 10.4300 10.4300 10.4303 10.4303 11.1123 11.1123 11.1440 11.1440 11.4329 11.4329 11.4653 11.4653 14.3099 14.3099 14.3101 14.3101 14.9349 14.9349 14.9659 14.9659 k = 0.0431-0.0000 0.2407 ( 2728 PWs) bands (ev): -2.1086 -2.1086 -2.1086 -2.1086 2.0385 2.0385 2.0386 2.0386 5.0909 5.0909 5.0921 5.0921 7.6615 7.6615 7.6626 7.6626 8.9873 8.9873 8.9910 8.9910 10.1096 10.1096 10.1105 10.1105 10.4273 10.4273 10.4280 10.4280 11.0899 11.0899 11.1258 11.1258 11.4392 11.4392 11.4762 11.4762 14.3131 14.3131 14.3133 14.3133 14.8494 14.8494 14.8769 14.8769 k = 0.0517-0.0000 0.2407 ( 2732 PWs) bands (ev): -2.0940 -2.0940 -2.0939 -2.0939 2.0498 2.0498 2.0499 2.0499 5.1039 5.1039 5.1053 5.1053 7.6727 7.6727 7.6740 7.6740 8.9831 8.9831 8.9876 8.9876 10.1065 10.1065 10.1073 10.1073 10.4238 10.4238 10.4252 10.4252 11.0648 11.0648 11.1035 11.1035 11.4469 11.4469 11.4872 11.4872 14.3163 14.3163 14.3166 14.3166 14.7493 14.7493 14.7731 14.7731 k = 0.0603-0.0000 0.2407 ( 2724 PWs) bands (ev): -2.0767 -2.0767 -2.0766 -2.0766 2.0631 2.0631 2.0632 2.0632 5.1192 5.1192 5.1209 5.1209 7.6858 7.6858 7.6873 7.6873 8.9781 8.9781 8.9834 8.9834 10.1026 10.1026 10.1030 10.1030 10.4196 10.4196 10.4222 10.4222 11.0372 11.0372 11.0775 11.0775 11.4555 11.4555 11.4982 11.4982 14.3185 14.3185 14.3193 14.3193 14.6388 14.6388 14.6590 14.6590 k = 0.0690-0.0000 0.2407 ( 2724 PWs) bands (ev): -2.0568 -2.0568 -2.0567 -2.0567 2.0784 2.0784 2.0786 2.0786 5.1368 5.1368 5.1387 5.1387 7.7008 7.7008 7.7025 7.7025 8.9724 8.9724 8.9784 8.9784 10.0972 10.0972 10.0975 10.0975 10.4145 10.4145 10.4187 10.4187 11.0073 11.0073 11.0482 11.0482 11.4646 11.4646 11.5089 11.5089 14.3160 14.3160 14.3187 14.3187 14.5247 14.5247 14.5406 14.5406 k = 0.0776-0.0000 0.2407 ( 2724 PWs) bands (ev): -2.0342 -2.0342 -2.0341 -2.0341 2.0957 2.0957 2.0959 2.0959 5.1568 5.1568 5.1589 5.1589 7.7177 7.7177 7.7196 7.7196 8.9658 8.9658 8.9726 8.9726 10.0897 10.0897 10.0908 10.0908 10.4085 10.4085 10.4148 10.4148 10.9755 10.9755 11.0160 11.0160 11.4739 11.4739 11.5192 11.5192 14.2912 14.2912 14.3007 14.3007 14.4272 14.4272 14.4343 14.4343 k = 0.0862-0.0000 0.2407 ( 2724 PWs) bands (ev): -2.0090 -2.0090 -2.0088 -2.0088 2.1149 2.1149 2.1152 2.1152 5.1790 5.1790 5.1813 5.1813 7.7363 7.7363 7.7383 7.7383 8.9584 8.9584 8.9660 8.9660 10.0802 10.0802 10.0821 10.0821 10.4015 10.4015 10.4104 10.4104 10.9419 10.9419 10.9812 10.9812 11.4832 11.4832 11.5289 11.5289 14.2059 14.2059 14.2226 14.2226 14.3854 14.3854 14.3870 14.3870 k = 0.0948-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.9811 -1.9811 -1.9810 -1.9810 2.1362 2.1362 2.1364 2.1364 5.2035 5.2035 5.2060 5.2060 7.7566 7.7566 7.7588 7.7588 8.9501 8.9501 8.9585 8.9585 10.0679 10.0679 10.0708 10.0708 10.3937 10.3937 10.4058 10.4058 10.9068 10.9068 10.9441 10.9441 11.4921 11.4921 11.5380 11.5380 14.0836 14.0836 14.1004 14.1004 14.3798 14.3798 14.3829 14.3829 k = 0.1034-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.9507 -1.9507 -1.9505 -1.9505 2.1593 2.1593 2.1596 2.1596 5.2302 5.2302 5.2330 5.2330 7.7785 7.7785 7.7808 7.7808 8.9408 8.9408 8.9501 8.9501 10.0523 10.0523 10.0562 10.0562 10.3851 10.3851 10.4010 10.4010 10.8707 10.8707 10.9052 10.9052 11.5007 11.5007 11.5464 11.5464 13.9528 13.9528 13.9688 13.9688 14.3848 14.3848 14.3881 14.3881 k = 0.1121-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.9176 -1.9176 -1.9174 -1.9174 2.1843 2.1843 2.1847 2.1847 5.2591 5.2591 5.2621 5.2621 7.8018 7.8018 7.8042 7.8042 8.9304 8.9304 8.9406 8.9406 10.0326 10.0326 10.0373 10.0373 10.3757 10.3757 10.3958 10.3958 10.8341 10.8341 10.8649 10.8649 11.5088 11.5088 11.5541 11.5541 13.8212 13.8212 13.8365 13.8365 14.3932 14.3932 14.3966 14.3966 k = 0.1207-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.8820 -1.8820 -1.8818 -1.8818 2.2112 2.2112 2.2116 2.2116 5.2902 5.2902 5.2934 5.2934 7.8263 7.8263 7.8288 7.8288 8.9190 8.9190 8.9301 8.9301 10.0080 10.0080 10.0131 10.0131 10.3659 10.3659 10.3904 10.3904 10.7975 10.7975 10.8238 10.8238 11.5164 11.5164 11.5611 11.5611 13.6917 13.6917 13.7065 13.7065 14.4035 14.4035 14.4070 14.4070 k = 0.1293-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.8437 -1.8437 -1.8435 -1.8435 2.2399 2.2399 2.2404 2.2404 5.3234 5.3234 5.3267 5.3267 7.8520 7.8520 7.8545 7.8545 8.9062 8.9062 8.9183 8.9183 9.9777 9.9777 9.9826 9.9826 10.3560 10.3560 10.3849 10.3849 10.7616 10.7616 10.7827 10.7827 11.5233 11.5233 11.5672 11.5672 13.5663 13.5663 13.5807 13.5807 14.4149 14.4149 14.4185 14.4185 k = 0.1379-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.8029 -1.8029 -1.8027 -1.8027 2.2705 2.2705 2.2709 2.2709 5.3587 5.3587 5.3622 5.3622 7.8786 7.8786 7.8811 7.8811 8.8919 8.8919 8.9051 8.9051 9.9408 9.9408 9.9447 9.9447 10.3464 10.3464 10.3794 10.3794 10.7269 10.7269 10.7423 10.7423 11.5295 11.5295 11.5726 11.5726 13.4461 13.4461 13.4602 13.4602 14.4272 14.4272 14.4310 14.4310 k = 0.1466-0.0000 0.2407 ( 2724 PWs) bands (ev): -1.7595 -1.7595 -1.7593 -1.7593 2.3027 2.3027 2.3032 2.3032 5.3960 5.3960 5.3996 5.3996 7.9057 7.9057 7.9082 7.9082 8.8759 8.8759 8.8903 8.8903 9.8969 9.8969 9.8990 9.8990 10.3373 10.3373 10.3738 10.3738 10.6940 10.6940 10.7034 10.7034 11.5349 11.5349 11.5770 11.5770 13.3322 13.3322 13.3461 13.3461 14.4403 14.4403 14.4442 14.4442 k = 0.1552-0.0000 0.2407 ( 2722 PWs) bands (ev): -1.7136 -1.7136 -1.7134 -1.7134 2.3367 2.3367 2.3372 2.3372 5.4353 5.4353 5.4390 5.4390 7.9331 7.9331 7.9355 7.9355 8.8579 8.8579 8.8734 8.8734 9.8453 9.8453 9.8458 9.8458 10.3290 10.3290 10.3681 10.3681 10.6632 10.6632 10.6667 10.6667 11.5395 11.5395 11.5805 11.5805 13.2253 13.2253 13.2390 13.2390 14.4540 14.4540 14.4581 14.4581 k = 0.1638-0.0000 0.2407 ( 2722 PWs) bands (ev): -1.6652 -1.6652 -1.6650 -1.6650 2.3723 2.3723 2.3729 2.3729 5.4765 5.4765 5.4803 5.4803 7.9603 7.9603 7.9627 7.9627 8.8374 8.8374 8.8542 8.8542 9.7844 9.7844 9.7878 9.7878 10.3215 10.3215 10.3622 10.3622 10.6326 10.6326 10.6344 10.6344 11.5432 11.5432 11.5831 11.5831 13.1259 13.1259 13.1395 13.1395 14.4682 14.4682 14.4724 14.4724 k = 0.1724-0.0000 0.2407 ( 2722 PWs) bands (ev): -1.6143 -1.6143 -1.6141 -1.6141 2.4095 2.4095 2.4101 2.4101 5.5195 5.5195 5.5234 5.5234 7.9869 7.9869 7.9891 7.9891 8.8138 8.8138 8.8319 8.8319 9.7175 9.7175 9.7242 9.7242 10.3146 10.3146 10.3559 10.3559 10.6016 10.6016 10.6078 10.6078 11.5460 11.5460 11.5847 11.5847 13.0342 13.0342 13.0477 13.0477 14.4828 14.4828 14.4872 14.4872 k = 0.1810-0.0000 0.2407 ( 2726 PWs) bands (ev): -1.5609 -1.5609 -1.5607 -1.5607 2.4482 2.4482 2.4489 2.4489 5.5642 5.5642 5.5682 5.5682 8.0119 8.0119 8.0139 8.0139 8.7866 8.7866 8.8059 8.8059 9.6466 9.6466 9.6563 9.6563 10.3082 10.3082 10.3489 10.3489 10.5736 10.5736 10.5831 10.5831 11.5478 11.5478 11.5853 11.5853 12.9504 12.9504 12.9637 12.9637 14.4977 14.4977 14.5022 14.5022 k = 0.1897-0.0000 0.2407 ( 2726 PWs) bands (ev): -1.5051 -1.5051 -1.5048 -1.5048 2.4883 2.4883 2.4892 2.4892 5.6106 5.6106 5.6146 5.6146 8.0344 8.0344 8.0362 8.0362 8.7552 8.7552 8.7755 8.7755 9.5741 9.5741 9.5867 9.5867 10.3018 10.3018 10.3407 10.3407 10.5489 10.5489 10.5602 10.5602 11.5487 11.5487 11.5850 11.5850 12.8743 12.8743 12.8874 12.8874 14.5128 14.5128 14.5174 14.5174 k = 0.1983-0.0000 0.2407 ( 2722 PWs) bands (ev): -1.4468 -1.4468 -1.4465 -1.4465 2.5298 2.5298 2.5308 2.5308 5.6585 5.6585 5.6625 5.6625 8.0528 8.0528 8.0544 8.0544 8.7193 8.7193 8.7402 8.7402 9.5032 9.5032 9.5180 9.5180 10.2952 10.2952 10.3311 10.3311 10.5276 10.5276 10.5391 10.5391 11.5486 11.5486 11.5836 11.5836 12.8056 12.8056 12.8185 12.8185 14.5280 14.5280 14.5327 14.5327 k = 0.2069-0.0000 0.2407 ( 2718 PWs) bands (ev): -1.3861 -1.3861 -1.3859 -1.3859 2.5727 2.5727 2.5737 2.5737 5.7078 5.7078 5.7118 5.7118 8.0649 8.0649 8.0663 8.0663 8.6790 8.6790 8.7000 8.7000 9.4368 9.4368 9.4530 9.4530 10.2877 10.2877 10.3193 10.3193 10.5095 10.5095 10.5197 10.5197 11.5475 11.5475 11.5812 11.5812 12.7441 12.7441 12.7568 12.7568 14.5431 14.5431 14.5478 14.5478 k = 0.2155-0.0000 0.2407 ( 2714 PWs) bands (ev): -1.3231 -1.3231 -1.3228 -1.3228 2.6167 2.6167 2.6178 2.6178 5.7584 5.7584 5.7623 5.7623 8.0676 8.0676 8.0690 8.0690 8.6360 8.6360 8.6563 8.6563 9.3777 9.3777 9.3944 9.3944 10.2787 10.2787 10.3048 10.3048 10.4948 10.4948 10.5021 10.5021 11.5453 11.5453 11.5778 11.5778 12.6894 12.6894 12.7017 12.7017 14.5581 14.5581 14.5627 14.5627 k = 0.2241-0.0000 0.2407 ( 2716 PWs) bands (ev): -1.2577 -1.2577 -1.2574 -1.2574 2.6617 2.6617 2.6629 2.6629 5.8100 5.8100 5.8138 5.8138 8.0564 8.0564 8.0581 8.0581 8.5938 8.5938 8.6124 8.6124 9.3276 9.3276 9.3441 9.3441 10.2676 10.2676 10.2874 10.2874 10.4833 10.4833 10.4866 10.4866 11.5420 11.5420 11.5734 11.5734 12.6408 12.6408 12.6528 12.6528 14.5727 14.5727 14.5770 14.5770 k = 0.2328-0.0000 0.2407 ( 2720 PWs) bands (ev): -1.1900 -1.1900 -1.1897 -1.1897 2.7077 2.7077 2.7091 2.7091 5.8624 5.8624 5.8660 5.8660 8.0267 8.0267 8.0289 8.0289 8.5572 8.5572 8.5733 8.5733 9.2874 9.2874 9.3029 9.3029 10.2538 10.2538 10.2668 10.2668 10.4734 10.4734 10.4747 10.4747 11.5375 11.5375 11.5678 11.5678 12.5980 12.5980 12.6096 12.6096 14.5866 14.5866 14.5903 14.5903 k = 0.2414-0.0000 0.2407 ( 2716 PWs) bands (ev): -1.1201 -1.1201 -1.1198 -1.1198 2.7546 2.7546 2.7560 2.7560 5.9154 5.9154 5.9187 5.9187 7.9753 7.9753 7.9780 7.9780 8.5303 8.5303 8.5434 8.5434 9.2568 9.2568 9.2709 9.2709 10.2370 10.2370 10.2434 10.2434 10.4627 10.4627 10.4688 10.4688 11.5320 11.5320 11.5612 11.5612 12.5605 12.5605 12.5717 12.5717 14.5994 14.5994 14.6018 14.6018 k = 0.2500-0.0000 0.2407 ( 2722 PWs) bands (ev): -1.0479 -1.0479 -1.0477 -1.0477 2.8021 2.8021 2.8037 2.8037 5.9684 5.9684 5.9714 5.9714 7.9025 7.9025 7.9055 7.9055 8.5145 8.5145 8.5246 8.5246 9.2348 9.2348 9.2472 9.2472 10.2170 10.2170 10.2172 10.2172 10.4545 10.4545 10.4651 10.4651 11.5252 11.5252 11.5534 11.5534 12.5276 12.5276 12.5385 12.5385 14.6079 14.6079 14.6094 14.6094 k = 0.2586-0.0000 0.2407 ( 2718 PWs) bands (ev): -0.9736 -0.9736 -0.9733 -0.9733 2.8501 2.8501 2.8518 2.8518 6.0211 6.0211 6.0236 6.0236 7.8121 7.8121 7.8149 7.8149 8.5079 8.5079 8.5155 8.5155 9.2200 9.2200 9.2308 9.2308 10.1888 10.1888 10.1939 10.1939 10.4490 10.4490 10.4633 10.4633 11.5172 11.5172 11.5446 11.5446 12.4992 12.4992 12.5097 12.5097 14.5837 14.5837 14.5962 14.5962 k = 0.2672-0.0000 0.2407 ( 2710 PWs) bands (ev): -0.8972 -0.8972 -0.8969 -0.8969 2.8985 2.8985 2.9003 2.9003 6.0727 6.0727 6.0747 6.0747 7.7093 7.7093 7.7115 7.7115 8.5078 8.5078 8.5132 8.5132 9.2110 9.2110 9.2203 9.2203 10.1584 10.1584 10.1681 10.1681 10.4458 10.4458 10.4631 10.4631 11.5081 11.5081 11.5347 11.5347 12.4745 12.4745 12.4848 12.4848 14.4925 14.4925 14.5001 14.5001 k = 0.2759-0.0000 0.2407 ( 2706 PWs) bands (ev): -0.8188 -0.8188 -0.8185 -0.8185 2.9469 2.9469 2.9489 2.9489 6.1222 6.1222 6.1234 6.1234 7.5992 7.5992 7.6004 7.6004 8.5114 8.5114 8.5152 8.5152 9.2062 9.2062 9.2142 9.2142 10.1266 10.1266 10.1401 10.1401 10.4446 10.4446 10.4642 10.4642 11.4978 11.4978 11.5236 11.5236 12.4533 12.4533 12.4633 12.4633 14.3858 14.3858 14.3908 14.3908 k = 0.2845-0.0000 0.2407 ( 2710 PWs) bands (ev): -0.7383 -0.7383 -0.7380 -0.7380 2.9952 2.9952 2.9973 2.9973 6.1682 6.1682 6.1684 6.1684 7.4863 7.4863 7.4865 7.4865 8.5171 8.5171 8.5195 8.5195 9.2042 9.2042 9.2112 9.2112 10.0940 10.0940 10.1105 10.1105 10.4451 10.4451 10.4663 10.4663 11.4862 11.4862 11.5114 11.5114 12.4351 12.4351 12.4449 12.4449 14.2810 14.2810 14.2848 14.2848 k = 0.2931-0.0000 0.2407 ( 2708 PWs) bands (ev): -0.6560 -0.6560 -0.6557 -0.6557 3.0432 3.0432 3.0454 3.0454 6.2074 6.2074 6.2085 6.2085 7.3740 7.3740 7.3759 7.3759 8.5236 8.5236 8.5249 8.5249 9.2034 9.2034 9.2096 9.2096 10.0612 10.0612 10.0802 10.0802 10.4472 10.4472 10.4695 10.4695 11.4735 11.4735 11.4981 11.4981 12.4198 12.4198 12.4293 12.4293 14.1806 14.1806 14.1837 14.1837 k = 0.3017-0.0000 0.2407 ( 2704 PWs) bands (ev): -0.5719 -0.5719 -0.5716 -0.5716 3.0904 3.0904 3.0928 3.0928 6.2372 6.2372 6.2400 6.2400 7.2685 7.2685 7.2723 7.2723 8.5304 8.5304 8.5308 8.5308 9.2021 9.2021 9.2078 9.2078 10.0292 10.0292 10.0503 10.0503 10.4506 10.4506 10.4736 10.4736 11.4597 11.4597 11.4838 11.4838 12.4069 12.4069 12.4163 12.4163 14.0853 14.0853 14.0878 14.0878 k = 0.3103-0.0000 0.2407 ( 2706 PWs) bands (ev): -0.4860 -0.4860 -0.4858 -0.4858 3.1365 3.1365 3.1391 3.1391 6.2533 6.2533 6.2580 6.2580 7.1757 7.1757 7.1818 7.1818 8.5368 8.5368 8.5373 8.5373 9.1988 9.1988 9.2041 9.2041 9.9989 9.9989 10.0216 10.0216 10.4552 10.4552 10.4784 10.4784 11.4449 11.4449 11.4685 11.4685 12.3961 12.3961 12.4054 12.4054 13.9951 13.9951 13.9972 13.9972 k = 0.3190-0.0000 0.2407 ( 2702 PWs) bands (ev): -0.3986 -0.3986 -0.3983 -0.3983 3.1813 3.1813 3.1840 3.1840 6.2503 6.2503 6.2571 6.2571 7.1025 7.1025 7.1109 7.1109 8.5430 8.5430 8.5441 8.5441 9.1917 9.1917 9.1968 9.1968 9.9715 9.9715 9.9952 9.9952 10.4608 10.4608 10.4840 10.4840 11.4292 11.4292 11.4524 11.4524 12.3873 12.3873 12.3965 12.3965 13.9102 13.9102 13.9118 13.9118 k = 0.3276-0.0000 0.2407 ( 2702 PWs) bands (ev): -0.3097 -0.3097 -0.3094 -0.3094 3.2241 3.2241 3.2270 3.2270 6.2238 6.2238 6.2324 6.2324 7.0547 7.0547 7.0650 7.0650 8.5492 8.5492 8.5508 8.5508 9.1795 9.1795 9.1844 9.1844 9.9477 9.9477 9.9722 9.9722 10.4673 10.4673 10.4902 10.4902 11.4129 11.4129 11.4357 11.4357 12.3801 12.3801 12.3893 12.3893 13.8305 13.8305 13.8317 13.8317 k = 0.3362-0.0000 0.2407 ( 2702 PWs) bands (ev): -0.2194 -0.2194 -0.2192 -0.2192 3.2646 3.2646 3.2677 3.2677 6.1731 6.1731 6.1828 6.1828 7.0342 7.0342 7.0457 7.0457 8.5556 8.5556 8.5578 8.5578 9.1609 9.1609 9.1654 9.1654 9.9285 9.9285 9.9532 9.9532 10.4744 10.4744 10.4967 10.4967 11.3962 11.3962 11.4187 11.4187 12.3745 12.3745 12.3836 12.3836 13.7559 13.7559 13.7566 13.7566 k = 0.3448-0.0000 0.2407 ( 2698 PWs) bands (ev): -0.1280 -0.1280 -0.1278 -0.1278 3.3021 3.3021 3.3054 3.3054 6.1020 6.1020 6.1120 6.1120 7.0382 7.0382 7.0501 7.0501 8.5625 8.5625 8.5650 8.5650 9.1353 9.1353 9.1392 9.1392 9.9143 9.9143 9.9388 9.9388 10.4819 10.4819 10.5035 10.5035 11.3794 11.3794 11.4016 11.4016 12.3701 12.3701 12.3792 12.3792 13.6862 13.6862 13.6865 13.6865 k = 0.3534-0.0000 0.2407 ( 2706 PWs) bands (ev): -0.0357 -0.0357 -0.0355 -0.0355 3.3362 3.3362 3.3395 3.3395 6.0168 6.0168 6.0266 6.0266 7.0609 7.0609 7.0725 7.0725 8.5698 8.5698 8.5728 8.5728 9.1021 9.1021 9.1055 9.1055 9.9050 9.9050 9.9288 9.9288 10.4894 10.4894 10.5102 10.5102 11.3631 11.3631 11.3849 11.3849 12.3669 12.3669 12.3759 12.3759 13.6209 13.6209 13.6212 13.6212 k = 0.3621-0.0000 0.2407 ( 2710 PWs) bands (ev): 0.0574 0.0574 0.0576 0.0576 3.3660 3.3660 3.3695 3.3695 5.9239 5.9239 5.9333 5.9333 7.0965 7.0965 7.1077 7.1077 8.5778 8.5778 8.5812 8.5812 9.0620 9.0620 9.0646 9.0646 9.9002 9.9002 9.9230 9.9230 10.4966 10.4966 10.5163 10.5163 11.3476 11.3476 11.3690 11.3690 12.3646 12.3646 12.3736 12.3736 13.5599 13.5599 13.5607 13.5607 k = 0.3707-0.0000 0.2407 ( 2698 PWs) bands (ev): 0.1509 0.1509 0.1511 0.1511 3.3909 3.3909 3.3945 3.3945 5.8282 5.8282 5.8370 5.8370 7.1407 7.1407 7.1513 7.1513 8.5866 8.5866 8.5904 8.5904 9.0154 9.0154 9.0171 9.0171 9.8992 9.8992 9.9208 9.9208 10.5031 10.5031 10.5216 10.5216 11.3335 11.3335 11.3546 11.3546 12.3632 12.3632 12.3722 12.3722 13.5031 13.5031 13.5045 13.5045 k = 0.3793-0.0000 0.2407 ( 2698 PWs) bands (ev): 0.2446 0.2446 0.2447 0.2447 3.4103 3.4103 3.4140 3.4140 5.7334 5.7334 5.7416 5.7416 7.1906 7.1906 7.2004 7.2004 8.5963 8.5963 8.6005 8.6005 8.9632 8.9632 8.9641 8.9641 9.9010 9.9010 9.9212 9.9212 10.5082 10.5082 10.5254 10.5254 11.3215 11.3215 11.3421 11.3421 12.3624 12.3624 12.3713 12.3713 13.4503 13.4503 13.4523 13.4523 k = 0.3879-0.0000 0.2407 ( 2702 PWs) bands (ev): 0.3380 0.3380 0.3381 0.3381 3.4234 3.4234 3.4271 3.4271 5.6424 5.6424 5.6500 5.6500 7.2440 7.2440 7.2532 7.2532 8.6068 8.6068 8.6115 8.6115 8.9065 8.9065 8.9066 8.9066 9.9048 9.9048 9.9235 9.9235 10.5114 10.5114 10.5271 10.5271 11.3119 11.3119 11.3320 11.3320 12.3621 12.3621 12.3709 12.3709 13.4014 13.4014 13.4040 13.4040 k = 0.3966-0.0000 0.2407 ( 2702 PWs) bands (ev): 0.4308 0.4308 0.4308 0.4308 3.4297 3.4297 3.4334 3.4334 5.5571 5.5571 5.5642 5.5642 7.2998 7.2998 7.3082 7.3082 8.6180 8.6180 8.6234 8.6234 8.8455 8.8455 8.8465 8.8465 9.9098 9.9098 9.9270 9.9270 10.5123 10.5123 10.5264 10.5264 11.3054 11.3054 11.3249 11.3249 12.3623 12.3623 12.3710 12.3710 13.3561 13.3561 13.3593 13.3593 k = 0.4052-0.0000 0.2407 ( 2702 PWs) bands (ev): 0.5224 0.5224 0.5224 0.5224 3.4288 3.4288 3.4324 3.4324 5.4792 5.4792 5.4857 5.4857 7.3569 7.3569 7.3645 7.3645 8.6295 8.6295 8.6359 8.6359 8.7822 8.7822 8.7843 8.7843 9.9155 9.9155 9.9312 9.9312 10.5106 10.5106 10.5231 10.5231 11.3021 11.3021 11.3210 11.3210 12.3628 12.3628 12.3713 12.3713 13.3142 13.3142 13.3181 13.3181 k = 0.4138-0.0000 0.2407 ( 2708 PWs) bands (ev): 0.6120 0.6120 0.6121 0.6121 3.4206 3.4206 3.4241 3.4241 5.4097 5.4097 5.4155 5.4155 7.4146 7.4146 7.4216 7.4216 8.6393 8.6393 8.6476 8.6476 8.7185 8.7185 8.7227 8.7227 9.9214 9.9214 9.9356 9.9356 10.5061 10.5061 10.5170 10.5170 11.3021 11.3021 11.3203 11.3203 12.3634 12.3634 12.3716 12.3716 13.2758 13.2758 13.2802 13.2802 k = 0.4224-0.0000 0.2407 ( 2704 PWs) bands (ev): 0.6991 0.6991 0.6992 0.6992 3.4055 3.4055 3.4088 3.4088 5.3491 5.3491 5.3544 5.3544 7.4727 7.4727 7.4789 7.4789 8.6300 8.6300 8.6382 8.6382 8.6756 8.6756 8.6796 8.6796 9.9271 9.9271 9.9399 9.9399 10.4989 10.4989 10.5083 10.5083 11.3054 11.3054 11.3229 11.3229 12.3642 12.3642 12.3722 12.3722 13.2407 13.2407 13.2457 13.2457 k = 0.4310-0.0000 0.2407 ( 2706 PWs) bands (ev): 0.7827 0.7827 0.7829 0.7829 3.3841 3.3841 3.3872 3.3872 5.2977 5.2977 5.3024 5.3024 7.5307 7.5307 7.5361 7.5361 8.5758 8.5758 8.5780 8.5780 8.6813 8.6813 8.6834 8.6834 9.9323 9.9323 9.9438 9.9438 10.4894 10.4894 10.4973 10.4973 11.3113 11.3113 11.3282 11.3282 12.3650 12.3650 12.3727 12.3727 13.2089 13.2089 13.2143 13.2143 k = 0.4397-0.0000 0.2407 ( 2710 PWs) bands (ev): 0.8617 0.8617 0.8620 0.8620 3.3577 3.3577 3.3606 3.3606 5.2551 5.2551 5.2592 5.2592 7.5884 7.5884 7.5930 7.5930 8.5115 8.5115 8.5121 8.5121 8.6931 8.6931 8.6969 8.6969 9.9371 9.9371 9.9474 9.9474 10.4783 10.4783 10.4847 10.4847 11.3193 11.3193 11.3355 11.3355 12.3658 12.3658 12.3731 12.3731 13.1804 13.1804 13.1862 13.1862 k = 0.4483-0.0000 0.2407 ( 2710 PWs) bands (ev): 0.9350 0.9350 0.9352 0.9352 3.3280 3.3280 3.3306 3.3306 5.2208 5.2208 5.2244 5.2244 7.6455 7.6455 7.6494 7.6494 8.4464 8.4464 8.4465 8.4465 8.7060 8.7060 8.7106 8.7106 9.9412 9.9412 9.9504 9.9504 10.4662 10.4662 10.4713 10.4713 11.3286 11.3286 11.3443 11.3443 12.3665 12.3665 12.3735 12.3735 13.1553 13.1553 13.1616 13.1616 k = 0.4569-0.0000 0.2407 ( 2710 PWs) bands (ev): 1.0010 1.0010 1.0013 1.0013 3.2971 3.2971 3.2995 3.2995 5.1940 5.1940 5.1971 5.1971 7.7018 7.7018 7.7049 7.7049 8.3822 8.3822 8.3823 8.3823 8.7184 8.7184 8.7236 8.7236 9.9447 9.9447 9.9530 9.9530 10.4541 10.4541 10.4580 10.4580 11.3383 11.3383 11.3535 11.3535 12.3671 12.3671 12.3738 12.3738 13.1337 13.1337 13.1403 13.1403 k = 0.4655-0.0000 0.2407 ( 2706 PWs) bands (ev): 1.0582 1.0582 1.0586 1.0586 3.2672 3.2672 3.2694 3.2694 5.1737 5.1737 5.1764 5.1764 7.7567 7.7567 7.7591 7.7591 8.3203 8.3203 8.3203 8.3203 8.7295 8.7295 8.7352 8.7352 9.9476 9.9476 9.9550 9.9550 10.4428 10.4428 10.4457 10.4457 11.3476 11.3476 11.3624 11.3624 12.3676 12.3676 12.3740 12.3740 13.1158 13.1158 13.1226 13.1226 k = 0.4741-0.0000 0.2407 ( 2706 PWs) bands (ev): 1.1050 1.1050 1.1054 1.1054 3.2408 3.2408 3.2427 3.2427 5.1590 5.1590 5.1614 5.1614 7.8091 7.8091 7.8107 7.8107 8.2620 8.2620 8.2622 8.2622 8.7389 8.7389 8.7448 8.7448 9.9497 9.9497 9.9565 9.9565 10.4330 10.4330 10.4352 10.4352 11.3558 11.3558 11.3703 11.3703 12.3679 12.3679 12.3740 12.3740 13.1017 13.1017 13.1087 13.1087 k = 0.4828-0.0000 0.2407 ( 2710 PWs) bands (ev): 1.1398 1.1398 1.1403 1.1403 3.2200 3.2200 3.2218 3.2218 5.1491 5.1491 5.1513 5.1513 7.8565 7.8565 7.8574 7.8574 8.2102 8.2102 8.2107 8.2107 8.7459 8.7459 8.7520 8.7520 9.9512 9.9512 9.9575 9.9575 10.4254 10.4254 10.4270 10.4270 11.3621 11.3621 11.3763 11.3763 12.3681 12.3681 12.3741 12.3741 13.0915 13.0915 13.0986 13.0986 k = 0.4914-0.0000 0.2407 ( 2710 PWs) bands (ev): 1.1613 1.1613 1.1618 1.1618 3.2067 3.2067 3.2084 3.2084 5.1435 5.1435 5.1455 5.1455 7.8930 7.8930 7.8933 7.8933 8.1709 8.1709 8.1719 8.1719 8.7503 8.7503 8.7566 8.7566 9.9522 9.9522 9.9581 9.9581 10.4207 10.4207 10.4219 10.4219 11.3661 11.3661 11.3802 11.3802 12.3683 12.3683 12.3741 12.3741 13.0854 13.0854 13.0926 13.0926 k = 0.5000-0.0000 0.2407 ( 2712 PWs) bands (ev): 1.1686 1.1686 1.1691 1.1691 3.2021 3.2021 3.2038 3.2038 5.1416 5.1416 5.1436 5.1436 7.9076 7.9076 7.9077 7.9077 8.1553 8.1553 8.1565 8.1565 8.7518 8.7518 8.7581 8.7581 9.9525 9.9525 9.9583 9.9583 10.4191 10.4191 10.4202 10.4202 11.3675 11.3675 11.3815 11.3815 12.3683 12.3683 12.3740 12.3740 13.0833 13.0833 13.0905 13.0905 k = 0.5000-0.0000 0.2407 ( 2712 PWs) bands (ev): 1.1686 1.1686 1.1691 1.1691 3.2021 3.2021 3.2038 3.2038 5.1416 5.1416 5.1436 5.1436 7.9076 7.9076 7.9077 7.9077 8.1553 8.1553 8.1565 8.1565 8.7518 8.7518 8.7581 8.7581 9.9525 9.9525 9.9583 9.9583 10.4191 10.4191 10.4202 10.4202 11.3675 11.3675 11.3815 11.3815 12.3683 12.3683 12.3740 12.3740 13.0833 13.0833 13.0905 13.0905 k = 0.5000 0.0086 0.2407 ( 2712 PWs) bands (ev): 1.1686 1.1686 1.1691 1.1691 3.2032 3.2032 3.2049 3.2049 5.1412 5.1412 5.1431 5.1431 7.8999 7.8999 7.9000 7.9000 8.1576 8.1576 8.1589 8.1589 8.7509 8.7509 8.7572 8.7572 9.9570 9.9570 9.9631 9.9631 10.4204 10.4204 10.4217 10.4217 11.3649 11.3649 11.3789 11.3789 12.3689 12.3689 12.3745 12.3745 13.0871 13.0871 13.0942 13.0942 k = 0.5000 0.0171 0.2407 ( 2704 PWs) bands (ev): 1.1687 1.1687 1.1692 1.1692 3.2066 3.2066 3.2083 3.2083 5.1400 5.1400 5.1418 5.1418 7.8775 7.8775 7.8779 7.8779 8.1638 8.1638 8.1653 8.1653 8.7484 8.7484 8.7548 8.7548 9.9704 9.9704 9.9769 9.9769 10.4246 10.4246 10.4262 10.4262 11.3572 11.3572 11.3710 11.3710 12.3709 12.3709 12.3759 12.3759 13.0986 13.0986 13.1051 13.1051 k = 0.5000 0.0257 0.2407 ( 2708 PWs) bands (ev): 1.1688 1.1688 1.1693 1.1693 3.2122 3.2122 3.2138 3.2138 5.1379 5.1379 5.1397 5.1397 7.8422 7.8422 7.8432 7.8432 8.1723 8.1723 8.1742 8.1742 8.7448 8.7448 8.7514 8.7514 9.9917 9.9917 9.9989 9.9989 10.4313 10.4313 10.4335 10.4335 11.3449 11.3449 11.3584 11.3584 12.3739 12.3739 12.3782 12.3782 13.1174 13.1174 13.1231 13.1231 k = 0.5000 0.0342 0.2407 ( 2704 PWs) bands (ev): 1.1689 1.1689 1.1694 1.1694 3.2200 3.2200 3.2215 3.2215 5.1351 5.1351 5.1367 5.1367 7.7963 7.7963 7.7977 7.7977 8.1820 8.1820 8.1842 8.1842 8.7408 8.7408 8.7475 8.7475 10.0197 10.0197 10.0278 10.0278 10.4405 10.4405 10.4436 10.4436 11.3284 11.3284 11.3415 11.3415 12.3781 12.3781 12.3814 12.3814 13.1432 13.1432 13.1478 13.1478 k = 0.5000 0.0428 0.2407 ( 2708 PWs) bands (ev): 1.1691 1.1691 1.1696 1.1696 3.2300 3.2300 3.2314 3.2314 5.1315 5.1315 5.1329 5.1329 7.7411 7.7411 7.7431 7.7431 8.1918 8.1918 8.1943 8.1943 8.7371 8.7371 8.7439 8.7439 10.0526 10.0526 10.0620 10.0620 10.4520 10.4520 10.4561 10.4561 11.3086 11.3086 11.3212 11.3212 12.3833 12.3833 12.3854 12.3854 13.1755 13.1755 13.1788 13.1788 k = 0.5000 0.0513 0.2407 ( 2704 PWs) bands (ev): 1.1693 1.1693 1.1699 1.1699 3.2421 3.2421 3.2434 3.2434 5.1273 5.1273 5.1284 5.1284 7.6783 7.6783 7.6807 7.6807 8.2014 8.2014 8.2042 8.2042 8.7342 8.7342 8.7411 8.7411 10.0890 10.0890 10.0997 10.0997 10.4655 10.4655 10.4709 10.4709 11.2863 11.2863 11.2983 11.2983 12.3895 12.3895 12.3904 12.3904 13.2137 13.2137 13.2156 13.2156 k = 0.5000 0.0599 0.2407 ( 2700 PWs) bands (ev): 1.1696 1.1696 1.1702 1.1702 3.2563 3.2563 3.2574 3.2574 5.1225 5.1225 5.1233 5.1233 7.6088 7.6088 7.6116 7.6116 8.2108 8.2108 8.2137 8.2137 8.7326 8.7326 8.7396 8.7396 10.1273 10.1273 10.1394 10.1394 10.4809 10.4809 10.4875 10.4875 11.2625 11.2625 11.2737 11.2737 12.3961 12.3961 12.3967 12.3967 13.2573 13.2573 13.2578 13.2578 k = 0.5000 0.0684 0.2407 ( 2696 PWs) bands (ev): 1.1699 1.1699 1.1705 1.1705 3.2725 3.2725 3.2735 3.2735 5.1172 5.1172 5.1176 5.1176 7.5338 7.5338 7.5369 7.5369 8.2198 8.2198 8.2228 8.2228 8.7324 8.7324 8.7394 8.7394 10.1659 10.1659 10.1795 10.1795 10.4976 10.4976 10.5055 10.5055 11.2382 11.2382 11.2486 11.2486 12.4027 12.4027 12.4045 12.4045 13.3048 13.3048 13.3058 13.3058 k = 0.5000 0.0770 0.2407 ( 2708 PWs) bands (ev): 1.1702 1.1702 1.1708 1.1708 3.2906 3.2906 3.2914 3.2914 5.1114 5.1114 5.1115 5.1115 7.4542 7.4542 7.4577 7.4577 8.2285 8.2285 8.2316 8.2316 8.7337 8.7337 8.7408 8.7408 10.2034 10.2034 10.2185 10.2185 10.5154 10.5154 10.5243 10.5243 11.2144 11.2144 11.2238 11.2238 12.4099 12.4099 12.4130 12.4130 13.3561 13.3561 13.3585 13.3585 k = 0.5000 0.0856 0.2407 ( 2704 PWs) bands (ev): 1.1706 1.1706 1.1712 1.1712 3.3107 3.3107 3.3113 3.3113 5.1050 5.1050 5.1054 5.1054 7.3710 7.3710 7.3747 7.3747 8.2371 8.2371 8.2401 8.2401 8.7366 8.7366 8.7437 8.7437 10.2388 10.2388 10.2550 10.2550 10.5339 10.5339 10.5436 10.5436 11.1923 11.1923 11.2006 11.2006 12.4180 12.4180 12.4221 12.4221 13.4114 13.4114 13.4151 13.4151 k = 0.5000 0.0941 0.2407 ( 2704 PWs) bands (ev): 1.1710 1.1710 1.1716 1.1716 3.3324 3.3324 3.3328 3.3328 5.0982 5.0982 5.0992 5.0992 7.2849 7.2849 7.2890 7.2890 8.2455 8.2455 8.2485 8.2485 8.7410 8.7410 8.7480 8.7480 10.2708 10.2708 10.2880 10.2880 10.5529 10.5529 10.5628 10.5628 11.1728 11.1728 11.1798 11.1798 12.4266 12.4266 12.4317 12.4317 13.4700 13.4700 13.4749 13.4749 k = 0.5000 0.1027 0.2407 ( 2704 PWs) bands (ev): 1.1715 1.1715 1.1721 1.1721 3.3558 3.3558 3.3560 3.3560 5.0914 5.0914 5.0928 5.0928 7.1968 7.1968 7.2011 7.2011 8.2540 8.2540 8.2569 8.2569 8.7466 8.7466 8.7535 8.7535 10.2985 10.2985 10.3161 10.3161 10.5721 10.5721 10.5817 10.5817 11.1568 11.1568 11.1624 11.1624 12.4356 12.4356 12.4417 12.4417 13.5315 13.5315 13.5373 13.5373 k = 0.5000 0.1112 0.2407 ( 2712 PWs) bands (ev): 1.1720 1.1720 1.1726 1.1726 3.3807 3.3807 3.3808 3.3808 5.0846 5.0846 5.0865 5.0865 7.1073 7.1073 7.1119 7.1119 8.2624 8.2624 8.2652 8.2652 8.7533 8.7533 8.7602 8.7602 10.3210 10.3210 10.3385 10.3385 10.5914 10.5914 10.6001 10.6001 11.1453 11.1453 11.1494 11.1494 12.4451 12.4451 12.4519 12.4519 13.5950 13.5950 13.6016 13.6016 k = 0.5000 0.1198 0.2407 ( 2704 PWs) bands (ev): 1.1725 1.1725 1.1731 1.1731 3.4068 3.4068 3.4071 3.4071 5.0779 5.0779 5.0804 5.0804 7.0171 7.0171 7.0219 7.0219 8.2709 8.2709 8.2735 8.2735 8.7610 8.7610 8.7678 8.7678 10.3376 10.3376 10.3545 10.3545 10.6108 10.6108 10.6181 10.6181 11.1387 11.1387 11.1413 11.1413 12.4548 12.4548 12.4622 12.4622 13.6600 13.6600 13.6671 13.6671 k = 0.5000 0.1283 0.2407 ( 2704 PWs) bands (ev): 1.1730 1.1730 1.1736 1.1736 3.4340 3.4340 3.4345 3.4345 5.0716 5.0716 5.0746 5.0746 6.9267 6.9267 6.9318 6.9318 8.2795 8.2795 8.2820 8.2820 8.7694 8.7694 8.7761 8.7761 10.3478 10.3478 10.3638 10.3638 10.6298 10.6298 10.6355 10.6355 11.1374 11.1374 11.1387 11.1387 12.4646 12.4646 12.4724 12.4724 13.7254 13.7254 13.7328 13.7328 k = 0.5000 0.1369 0.2407 ( 2712 PWs) bands (ev): 1.1736 1.1736 1.1742 1.1742 3.4623 3.4623 3.4630 3.4630 5.0657 5.0657 5.0693 5.0693 6.8367 6.8367 6.8420 6.8420 8.2881 8.2881 8.2904 8.2904 8.7784 8.7784 8.7849 8.7849 10.3518 10.3518 10.3667 10.3667 10.6479 10.6479 10.6520 10.6520 11.1416 11.1416 11.1416 11.1416 12.4743 12.4743 12.4824 12.4824 13.7901 13.7901 13.7975 13.7975 k = 0.5000 0.1454 0.2407 ( 2708 PWs) bands (ev): 1.1741 1.1741 1.1747 1.1747 3.4913 3.4913 3.4924 3.4924 5.0604 5.0604 5.0646 5.0646 6.7476 6.7476 6.7531 6.7531 8.2968 8.2968 8.2989 8.2989 8.7878 8.7878 8.7942 8.7942 10.3501 10.3501 10.3639 10.3639 10.6648 10.6648 10.6675 10.6675 11.1501 11.1501 11.1509 11.1509 12.4839 12.4839 12.4922 12.4922 13.8528 13.8528 13.8600 13.8600 k = 0.5000 0.1540 0.2407 ( 2704 PWs) bands (ev): 1.1747 1.1747 1.1753 1.1753 3.5209 3.5209 3.5222 3.5222 5.0558 5.0558 5.0605 5.0605 6.6599 6.6599 6.6656 6.6656 8.3055 8.3055 8.3074 8.3074 8.7975 8.7975 8.8037 8.8037 10.3437 10.3437 10.3564 10.3564 10.6800 10.6800 10.6817 10.6817 11.1636 11.1636 11.1650 11.1650 12.4932 12.4932 12.5015 12.5015 13.9120 13.9120 13.9187 13.9187 k = 0.5000 0.1626 0.2407 ( 2696 PWs) bands (ev): 1.1753 1.1753 1.1758 1.1758 3.5509 3.5509 3.5524 3.5524 5.0520 5.0520 5.0573 5.0573 6.5740 6.5740 6.5799 6.5799 8.3142 8.3142 8.3159 8.3159 8.8073 8.8073 8.8133 8.8133 10.3335 10.3335 10.3453 10.3453 10.6930 10.6930 10.6941 10.6941 11.1817 11.1817 11.1833 11.1833 12.5022 12.5022 12.5104 12.5104 13.9660 13.9660 13.9722 13.9722 k = 0.5000 0.1711 0.2407 ( 2692 PWs) bands (ev): 1.1759 1.1759 1.1764 1.1764 3.5808 3.5808 3.5825 3.5825 5.0493 5.0493 5.0551 5.0551 6.4905 6.4905 6.4965 6.4965 8.3228 8.3228 8.3242 8.3242 8.8170 8.8170 8.8228 8.8228 10.3207 10.3207 10.3317 10.3317 10.7037 10.7037 10.7046 10.7046 11.2034 11.2034 11.2050 11.2050 12.5106 12.5106 12.5186 12.5186 14.0134 14.0134 14.0189 14.0189 k = 0.5000 0.1797 0.2407 ( 2700 PWs) bands (ev): 1.1764 1.1764 1.1769 1.1769 3.6105 3.6105 3.6123 3.6123 5.0477 5.0477 5.0539 5.0539 6.4097 6.4097 6.4159 6.4159 8.3311 8.3311 8.3324 8.3324 8.8264 8.8264 8.8319 8.8319 10.3061 10.3061 10.3163 10.3163 10.7120 10.7120 10.7128 10.7128 11.2279 11.2279 11.2293 11.2293 12.5185 12.5185 12.5262 12.5262 14.0528 14.0528 14.0576 14.0576 k = 0.5000 0.1882 0.2407 ( 2700 PWs) bands (ev): 1.1769 1.1769 1.1774 1.1774 3.6395 3.6395 3.6415 3.6415 5.0473 5.0473 5.0539 5.0539 6.3323 6.3323 6.3385 6.3385 8.3392 8.3392 8.3403 8.3403 8.8355 8.8355 8.8407 8.8407 10.2907 10.2907 10.3001 10.3001 10.7182 10.7182 10.7192 10.7192 11.2543 11.2543 11.2554 11.2554 12.5258 12.5258 12.5331 12.5331 14.0836 14.0836 14.0876 14.0876 k = 0.5000 0.1968 0.2407 ( 2704 PWs) bands (ev): 1.1775 1.1775 1.1779 1.1779 3.6675 3.6675 3.6696 3.6696 5.0481 5.0481 5.0550 5.0550 6.2588 6.2588 6.2650 6.2650 8.3469 8.3469 8.3479 8.3479 8.8441 8.8441 8.8490 8.8490 10.2751 10.2751 10.2837 10.2837 10.7226 10.7226 10.7237 10.7237 11.2816 11.2816 11.2824 11.2824 12.5325 12.5325 12.5393 12.5393 14.1055 14.1055 14.1089 14.1089 k = 0.5000 0.2053 0.2407 ( 2704 PWs) bands (ev): 1.1780 1.1780 1.1784 1.1784 3.6942 3.6942 3.6962 3.6962 5.0502 5.0502 5.0571 5.0571 6.1898 6.1898 6.1959 6.1959 8.3542 8.3542 8.3550 8.3550 8.8521 8.8521 8.8566 8.8566 10.2600 10.2600 10.2678 10.2678 10.7254 10.7254 10.7267 10.7267 11.3089 11.3089 11.3094 11.3094 12.5385 12.5385 12.5448 12.5448 14.1193 14.1193 14.1222 14.1222 k = 0.5000 0.2139 0.2407 ( 2708 PWs) bands (ev): 1.1784 1.1784 1.1788 1.1788 3.7190 3.7190 3.7210 3.7210 5.0535 5.0535 5.0603 5.0603 6.1259 6.1259 6.1319 6.1319 8.3609 8.3609 8.3616 8.3616 8.8595 8.8595 8.8635 8.8635 10.2458 10.2458 10.2528 10.2528 10.7270 10.7270 10.7283 10.7283 11.3353 11.3353 11.3356 11.3356 12.5438 12.5438 12.5494 12.5494 14.1262 14.1262 14.1286 14.1286 k = 0.5000 0.2224 0.2407 ( 2708 PWs) bands (ev): 1.1788 1.1788 1.1791 1.1791 3.7416 3.7416 3.7436 3.7436 5.0577 5.0577 5.0643 5.0643 6.0680 6.0680 6.0737 6.0737 8.3670 8.3670 8.3675 8.3675 8.8660 8.8660 8.8696 8.8696 10.2329 10.2329 10.2391 10.2391 10.7277 10.7277 10.7291 10.7291 11.3601 11.3601 11.3602 11.3602 12.5484 12.5484 12.5534 12.5534 14.1276 14.1276 14.1297 14.1297 k = 0.5000 0.2310 0.2407 ( 2704 PWs) bands (ev): 1.1792 1.1792 1.1795 1.1795 3.7616 3.7616 3.7634 3.7634 5.0627 5.0627 5.0688 5.0688 6.0169 6.0169 6.0220 6.0220 8.3724 8.3724 8.3728 8.3728 8.8718 8.8718 8.8749 8.8749 10.2217 10.2217 10.2270 10.2270 10.7278 10.7278 10.7291 10.7291 11.3824 11.3824 11.3825 11.3825 12.5524 12.5524 12.5566 12.5566 14.1254 14.1254 14.1271 14.1271 k = 0.5000 0.2396 0.2407 ( 2708 PWs) bands (ev): 1.1795 1.1795 1.1797 1.1797 3.7786 3.7786 3.7802 3.7802 5.0680 5.0680 5.0733 5.0733 5.9733 5.9733 5.9778 5.9778 8.3768 8.3768 8.3772 8.3772 8.8766 8.8766 8.8791 8.8791 10.2123 10.2123 10.2166 10.2166 10.7276 10.7276 10.7287 10.7287 11.4016 11.4016 11.4018 11.4018 12.5557 12.5557 12.5592 12.5592 14.1211 14.1211 14.1225 14.1225 k = 0.5000 0.2481 0.2407 ( 2704 PWs) bands (ev): 1.1797 1.1797 1.1799 1.1799 3.7923 3.7923 3.7935 3.7935 5.0732 5.0732 5.0775 5.0775 5.9384 5.9384 5.9420 5.9420 8.3804 8.3804 8.3807 8.3807 8.8805 8.8805 8.8824 8.8824 10.2050 10.2050 10.2083 10.2083 10.7272 10.7272 10.7282 10.7282 11.4172 11.4172 11.4174 11.4174 12.5584 12.5584 12.5610 12.5610 14.1162 14.1162 14.1173 14.1173 k = 0.5000 0.2567 0.2407 ( 2700 PWs) bands (ev): 1.1799 1.1799 1.1800 1.1800 3.8024 3.8024 3.8032 3.8032 5.0776 5.0776 5.0807 5.0807 5.9129 5.9129 5.9154 5.9154 8.3831 8.3831 8.3833 8.3833 8.8834 8.8834 8.8847 8.8847 10.1999 10.1999 10.2021 10.2021 10.7269 10.7269 10.7276 10.7276 11.4288 11.4288 11.4289 11.4289 12.5604 12.5604 12.5622 12.5622 14.1120 14.1120 14.1127 14.1127 k = 0.5000 0.2652 0.2407 ( 2716 PWs) bands (ev): 1.1800 1.1800 1.1801 1.1801 3.8086 3.8086 3.8091 3.8091 5.0809 5.0809 5.0825 5.0825 5.8975 5.8975 5.8988 5.8988 8.3846 8.3846 8.3848 8.3848 8.8852 8.8852 8.8859 8.8859 10.1969 10.1969 10.1981 10.1981 10.7267 10.7267 10.7271 10.7271 11.4358 11.4358 11.4359 11.4359 12.5616 12.5616 12.5626 12.5626 14.1091 14.1091 14.1095 14.1095 k = 0.5000 0.2738 0.2407 ( 2712 PWs) bands (ev): 1.1801 1.1801 1.1801 1.1801 3.8109 3.8109 3.8109 3.8109 5.0826 5.0826 5.0826 5.0826 5.8927 5.8927 5.8928 5.8928 8.3851 8.3851 8.3853 8.3853 8.8860 8.8860 8.8862 8.8862 10.1962 10.1962 10.1964 10.1964 10.7266 10.7266 10.7269 10.7269 11.4382 11.4382 11.4383 11.4383 12.5622 12.5622 12.5626 12.5626 14.1082 14.1082 14.1083 14.1083 k = 0.5000 0.2738 0.2407 ( 2712 PWs) bands (ev): 1.1801 1.1801 1.1801 1.1801 3.8109 3.8109 3.8109 3.8109 5.0826 5.0826 5.0826 5.0826 5.8927 5.8927 5.8928 5.8928 8.3851 8.3851 8.3853 8.3853 8.8860 8.8860 8.8862 8.8862 10.1962 10.1962 10.1964 10.1964 10.7266 10.7266 10.7269 10.7269 11.4382 11.4382 11.4383 11.4383 12.5622 12.5622 12.5626 12.5626 14.1082 14.1082 14.1083 14.1083 k = 0.4914 0.2738 0.2407 ( 2708 PWs) bands (ev): 1.1759 1.1759 1.1760 1.1760 3.8019 3.8019 3.8019 3.8019 5.0882 5.0882 5.0882 5.0882 5.9027 5.9027 5.9028 5.9028 8.3860 8.3860 8.3862 8.3862 8.8843 8.8843 8.8845 8.8845 10.1961 10.1961 10.1963 10.1963 10.7261 10.7261 10.7264 10.7264 11.4373 11.4373 11.4374 11.4374 12.5618 12.5618 12.5622 12.5622 14.1072 14.1072 14.1073 14.1073 k = 0.4828 0.2738 0.2407 ( 2708 PWs) bands (ev): 1.1636 1.1636 1.1637 1.1637 3.7754 3.7754 3.7754 3.7754 5.1051 5.1051 5.1051 5.1051 5.9322 5.9322 5.9323 5.9323 8.3887 8.3887 8.3889 8.3889 8.8792 8.8792 8.8794 8.8794 10.1955 10.1955 10.1957 10.1957 10.7246 10.7246 10.7249 10.7249 11.4346 11.4346 11.4347 11.4347 12.5602 12.5602 12.5606 12.5606 14.1042 14.1042 14.1043 14.1043 k = 0.4741 0.2738 0.2407 ( 2712 PWs) bands (ev): 1.1434 1.1434 1.1434 1.1434 3.7329 3.7329 3.7329 3.7329 5.1328 5.1328 5.1329 5.1329 5.9796 5.9796 5.9797 5.9797 8.3932 8.3932 8.3933 8.3933 8.8708 8.8708 8.8710 8.8710 10.1946 10.1946 10.1948 10.1948 10.7219 10.7219 10.7222 10.7222 11.4301 11.4301 11.4301 11.4301 12.5577 12.5577 12.5580 12.5580 14.0994 14.0994 14.0995 14.0995 k = 0.4655 0.2738 0.2407 ( 2708 PWs) bands (ev): 1.1156 1.1156 1.1156 1.1156 3.6765 3.6765 3.6766 3.6766 5.1711 5.1711 5.1712 5.1712 6.0428 6.0428 6.0429 6.0429 8.3994 8.3994 8.3996 8.3996 8.8593 8.8593 8.8595 8.8595 10.1932 10.1932 10.1934 10.1934 10.7183 10.7183 10.7186 10.7186 11.4239 11.4239 11.4240 11.4240 12.5542 12.5542 12.5546 12.5546 14.0928 14.0928 14.0930 14.0930 k = 0.4569 0.2738 0.2407 ( 2704 PWs) bands (ev): 1.0807 1.0807 1.0807 1.0807 3.6085 3.6085 3.6086 3.6086 5.2194 5.2194 5.2194 5.2194 6.1193 6.1193 6.1194 6.1194 8.4074 8.4074 8.4076 8.4076 8.8449 8.8449 8.8451 8.8451 10.1915 10.1915 10.1917 10.1917 10.7135 10.7135 10.7138 10.7138 11.4163 11.4163 11.4164 11.4164 12.5500 12.5500 12.5504 12.5504 14.0848 14.0848 14.0849 14.0849 k = 0.4483 0.2738 0.2407 ( 2704 PWs) bands (ev): 1.0393 1.0393 1.0393 1.0393 3.5312 3.5312 3.5313 3.5313 5.2770 5.2770 5.2770 5.2770 6.2067 6.2067 6.2067 6.2067 8.4171 8.4171 8.4173 8.4173 8.8278 8.8278 8.8280 8.8280 10.1894 10.1894 10.1896 10.1896 10.7076 10.7076 10.7079 10.7079 11.4075 11.4075 11.4076 11.4076 12.5451 12.5451 12.5454 12.5454 14.0755 14.0755 14.0756 14.0756 k = 0.4397 0.2738 0.2407 ( 2708 PWs) bands (ev): 0.9920 0.9920 0.9920 0.9920 3.4466 3.4466 3.4466 3.4466 5.3432 5.3432 5.3432 5.3432 6.3025 6.3025 6.3026 6.3026 8.4286 8.4286 8.4288 8.4288 8.8084 8.8084 8.8086 8.8086 10.1870 10.1870 10.1872 10.1872 10.7005 10.7005 10.7008 10.7008 11.3976 11.3976 11.3977 11.3977 12.5395 12.5395 12.5399 12.5399 14.0652 14.0652 14.0653 14.0653 k = 0.4310 0.2738 0.2407 ( 2708 PWs) bands (ev): 0.9395 0.9395 0.9395 0.9395 3.3564 3.3564 3.3564 3.3564 5.4173 5.4173 5.4173 5.4173 6.4048 6.4048 6.4049 6.4049 8.4418 8.4418 8.4420 8.4420 8.7872 8.7872 8.7874 8.7874 10.1843 10.1843 10.1845 10.1845 10.6923 10.6923 10.6926 10.6926 11.3870 11.3870 11.3871 11.3871 12.5336 12.5336 12.5340 12.5340 14.0541 14.0541 14.0542 14.0542 k = 0.4224 0.2738 0.2407 ( 2712 PWs) bands (ev): 0.8825 0.8825 0.8825 0.8825 3.2620 3.2620 3.2620 3.2620 5.4983 5.4983 5.4984 5.4984 6.5117 6.5117 6.5118 6.5118 8.4567 8.4567 8.4569 8.4569 8.7646 8.7646 8.7647 8.7647 10.1813 10.1813 10.1814 10.1814 10.6827 10.6827 10.6830 10.6830 11.3758 11.3758 11.3760 11.3760 12.5276 12.5276 12.5280 12.5280 14.0425 14.0425 14.0426 14.0426 k = 0.4138 0.2738 0.2407 ( 2712 PWs) bands (ev): 0.8215 0.8215 0.8215 0.8215 3.1646 3.1646 3.1647 3.1647 5.5857 5.5857 5.5857 5.5857 6.6216 6.6216 6.6216 6.6216 8.4733 8.4733 8.4735 8.4735 8.7413 8.7413 8.7414 8.7414 10.1781 10.1781 10.1783 10.1783 10.6720 10.6720 10.6723 10.6723 11.3645 11.3645 11.3646 11.3646 12.5217 12.5217 12.5220 12.5220 14.0306 14.0306 14.0307 14.0307 k = 0.4052 0.2738 0.2407 ( 2712 PWs) bands (ev): 0.7572 0.7572 0.7572 0.7572 3.0652 3.0652 3.0652 3.0652 5.6785 5.6785 5.6786 5.6786 6.7327 6.7327 6.7327 6.7327 8.4916 8.4916 8.4918 8.4918 8.7179 8.7179 8.7181 8.7181 10.1748 10.1748 10.1750 10.1750 10.6600 10.6600 10.6603 10.6603 11.3532 11.3532 11.3534 11.3534 12.5161 12.5161 12.5165 12.5165 14.0186 14.0186 14.0187 14.0187 k = 0.3966 0.2738 0.2407 ( 2712 PWs) bands (ev): 0.6902 0.6902 0.6902 0.6902 2.9645 2.9645 2.9645 2.9645 5.7761 5.7761 5.7761 5.7761 6.8434 6.8434 6.8435 6.8435 8.5115 8.5115 8.5116 8.5116 8.6955 8.6955 8.6956 8.6956 10.1716 10.1716 10.1718 10.1718 10.6467 10.6467 10.6470 10.6470 11.3423 11.3423 11.3424 11.3424 12.5112 12.5112 12.5116 12.5116 14.0067 14.0067 14.0068 14.0068 k = 0.3879 0.2738 0.2407 ( 2708 PWs) bands (ev): 0.6209 0.6209 0.6209 0.6209 2.8631 2.8631 2.8632 2.8632 5.8776 5.8776 5.8776 5.8776 6.9521 6.9521 6.9522 6.9522 8.5329 8.5329 8.5331 8.5331 8.6750 8.6750 8.6751 8.6751 10.1686 10.1686 10.1688 10.1688 10.6321 10.6321 10.6324 10.6324 11.3319 11.3319 11.3321 11.3321 12.5074 12.5074 12.5078 12.5078 13.9950 13.9950 13.9952 13.9952 k = 0.3793 0.2738 0.2407 ( 2712 PWs) bands (ev): 0.5499 0.5499 0.5499 0.5499 2.7616 2.7616 2.7616 2.7616 5.9823 5.9823 5.9823 5.9823 7.0570 7.0570 7.0571 7.0571 8.5558 8.5558 8.5559 8.5559 8.6577 8.6577 8.6579 8.6579 10.1661 10.1661 10.1662 10.1662 10.6163 10.6163 10.6166 10.6166 11.3223 11.3223 11.3225 11.3225 12.5049 12.5049 12.5052 12.5052 13.9837 13.9837 13.9839 13.9839 k = 0.3707 0.2738 0.2407 ( 2716 PWs) bands (ev): 0.4775 0.4775 0.4775 0.4775 2.6602 2.6602 2.6603 2.6603 6.0895 6.0895 6.0896 6.0896 7.1561 7.1561 7.1561 7.1561 8.5800 8.5800 8.5802 8.5802 8.6454 8.6454 8.6455 8.6455 10.1642 10.1642 10.1644 10.1644 10.5993 10.5993 10.5996 10.5996 11.3139 11.3139 11.3140 11.3140 12.5041 12.5041 12.5044 12.5044 13.9729 13.9729 13.9730 13.9730 k = 0.3621 0.2738 0.2407 ( 2720 PWs) bands (ev): 0.4042 0.4042 0.4042 0.4042 2.5595 2.5595 2.5595 2.5595 6.1986 6.1986 6.1986 6.1986 7.2470 7.2470 7.2471 7.2471 8.6053 8.6053 8.6055 8.6055 8.6397 8.6397 8.6399 8.6399 10.1634 10.1634 10.1636 10.1636 10.5812 10.5812 10.5814 10.5814 11.3066 11.3066 11.3068 11.3068 12.5055 12.5055 12.5058 12.5058 13.9626 13.9626 13.9628 13.9628 k = 0.3534 0.2738 0.2407 ( 2720 PWs) bands (ev): 0.3303 0.3303 0.3303 0.3303 2.4596 2.4596 2.4597 2.4597 6.3087 6.3087 6.3087 6.3087 7.3276 7.3276 7.3277 7.3277 8.6304 8.6304 8.6305 8.6305 8.6441 8.6441 8.6442 8.6442 10.1641 10.1641 10.1642 10.1642 10.5620 10.5620 10.5623 10.5623 11.3007 11.3007 11.3009 11.3009 12.5095 12.5095 12.5098 12.5098 13.9531 13.9531 13.9532 13.9532 k = 0.3448 0.2738 0.2407 ( 2724 PWs) bands (ev): 0.2561 0.2561 0.2562 0.2562 2.3608 2.3608 2.3608 2.3608 6.4192 6.4192 6.4193 6.4193 7.3956 7.3956 7.3957 7.3957 8.6506 8.6506 8.6508 8.6508 8.6644 8.6644 8.6645 8.6645 10.1666 10.1666 10.1667 10.1667 10.5418 10.5418 10.5420 10.5420 11.2962 11.2962 11.2964 11.2964 12.5166 12.5166 12.5170 12.5170 13.9442 13.9442 13.9444 13.9444 k = 0.3362 0.2738 0.2407 ( 2728 PWs) bands (ev): 0.1820 0.1820 0.1820 0.1820 2.2633 2.2633 2.2633 2.2633 6.5295 6.5295 6.5295 6.5295 7.4492 7.4492 7.4493 7.4493 8.6751 8.6751 8.6753 8.6753 8.6928 8.6928 8.6929 8.6929 10.1714 10.1714 10.1715 10.1715 10.5206 10.5206 10.5209 10.5209 11.2932 11.2932 11.2935 11.2935 12.5274 12.5274 12.5277 12.5277 13.9363 13.9363 13.9364 13.9364 k = 0.3276 0.2738 0.2407 ( 2724 PWs) bands (ev): 0.1080 0.1080 0.1081 0.1081 2.1672 2.1672 2.1672 2.1672 6.6388 6.6388 6.6388 6.6388 7.4877 7.4877 7.4878 7.4878 8.7091 8.7091 8.7093 8.7093 8.7244 8.7244 8.7245 8.7245 10.1791 10.1791 10.1791 10.1791 10.4988 10.4988 10.4990 10.4990 11.2919 11.2919 11.2921 11.2921 12.5421 12.5421 12.5424 12.5424 13.9292 13.9292 13.9294 13.9294 k = 0.3190 0.2738 0.2407 ( 2720 PWs) bands (ev): 0.0346 0.0346 0.0346 0.0346 2.0727 2.0727 2.0728 2.0728 6.7464 6.7464 6.7464 6.7464 7.5112 7.5112 7.5113 7.5113 8.7463 8.7463 8.7464 8.7464 8.7646 8.7646 8.7647 8.7647 10.1901 10.1901 10.1902 10.1902 10.4764 10.4764 10.4766 10.4766 11.2922 11.2922 11.2924 11.2924 12.5613 12.5613 12.5616 12.5616 13.9232 13.9232 13.9234 13.9234 k = 0.3103 0.2738 0.2407 ( 2712 PWs) bands (ev): -0.0382 -0.0382 -0.0382 -0.0382 1.9799 1.9799 1.9800 1.9800 6.8517 6.8517 6.8517 6.8517 7.5209 7.5209 7.5210 7.5210 8.7793 8.7793 8.7794 8.7794 8.8186 8.8186 8.8188 8.8188 10.2052 10.2052 10.2052 10.2052 10.4535 10.4535 10.4538 10.4538 11.2941 11.2941 11.2943 11.2943 12.5856 12.5856 12.5858 12.5858 13.9183 13.9183 13.9185 13.9185 k = 0.3017 0.2738 0.2407 ( 2712 PWs) bands (ev): -0.1102 -0.1102 -0.1102 -0.1102 1.8890 1.8890 1.8891 1.8891 6.9540 6.9540 6.9540 6.9540 7.5187 7.5187 7.5189 7.5189 8.8109 8.8109 8.8110 8.8110 8.8811 8.8811 8.8813 8.8813 10.2246 10.2246 10.2246 10.2246 10.4305 10.4305 10.4308 10.4308 11.2975 11.2975 11.2977 11.2977 12.6151 12.6151 12.6154 12.6154 13.9147 13.9147 13.9148 13.9148 k = 0.2931 0.2738 0.2407 ( 2712 PWs) bands (ev): -0.1812 -0.1812 -0.1812 -0.1812 1.8000 1.8000 1.8001 1.8001 7.0526 7.0526 7.0527 7.0527 7.5068 7.5068 7.5069 7.5069 8.8422 8.8422 8.8423 8.8423 8.9482 8.9482 8.9484 8.9484 10.2488 10.2488 10.2489 10.2489 10.4075 10.4075 10.4078 10.4078 11.3023 11.3023 11.3026 11.3026 12.6504 12.6504 12.6507 12.6507 13.9125 13.9125 13.9127 13.9127 k = 0.2845 0.2738 0.2407 ( 2720 PWs) bands (ev): -0.2510 -0.2510 -0.2510 -0.2510 1.7130 1.7130 1.7131 1.7131 7.1470 7.1470 7.1471 7.1471 7.4871 7.4871 7.4872 7.4872 8.8733 8.8733 8.8733 8.8733 9.0172 9.0172 9.0174 9.0174 10.2781 10.2781 10.2782 10.2782 10.3850 10.3850 10.3852 10.3852 11.3085 11.3085 11.3088 11.3088 12.6917 12.6917 12.6920 12.6920 13.9121 13.9121 13.9123 13.9123 k = 0.2759 0.2738 0.2407 ( 2724 PWs) bands (ev): -0.3196 -0.3196 -0.3196 -0.3196 1.6281 1.6281 1.6282 1.6282 7.2367 7.2367 7.2368 7.2368 7.4613 7.4613 7.4614 7.4614 8.9041 8.9041 8.9042 8.9042 9.0857 9.0857 9.0859 9.0859 10.3121 10.3121 10.3122 10.3122 10.3637 10.3637 10.3639 10.3639 11.3161 11.3161 11.3164 11.3164 12.7390 12.7390 12.7393 12.7393 13.9137 13.9137 13.9139 13.9139 k = 0.2672 0.2738 0.2407 ( 2724 PWs) bands (ev): -0.3868 -0.3868 -0.3868 -0.3868 1.5454 1.5454 1.5454 1.5454 7.3210 7.3210 7.3211 7.3211 7.4310 7.4310 7.4312 7.4312 8.9347 8.9347 8.9348 8.9348 9.1518 9.1518 9.1520 9.1520 10.3353 10.3353 10.3355 10.3355 10.3595 10.3595 10.3596 10.3596 11.3249 11.3249 11.3252 11.3252 12.7924 12.7924 12.7927 12.7927 13.9178 13.9178 13.9180 13.9180 k = 0.2586 0.2738 0.2407 ( 2724 PWs) bands (ev): -0.4526 -0.4526 -0.4525 -0.4525 1.4648 1.4648 1.4649 1.4649 7.3962 7.3962 7.3963 7.3963 7.4008 7.4008 7.4009 7.4009 8.9653 8.9653 8.9654 8.9654 9.2139 9.2139 9.2141 9.2141 10.3187 10.3187 10.3190 10.3190 10.4014 10.4014 10.4014 10.4014 11.3347 11.3347 11.3350 11.3350 12.8515 12.8515 12.8517 12.8517 13.9251 13.9251 13.9252 13.9252 k = 0.2500 0.2738 0.2407 ( 2720 PWs) bands (ev): -0.5167 -0.5167 -0.5167 -0.5167 1.3866 1.3866 1.3866 1.3866 7.3611 7.3611 7.3612 7.3612 7.4724 7.4724 7.4725 7.4725 8.9959 8.9959 8.9960 8.9960 9.2708 9.2708 9.2710 9.2710 10.3004 10.3004 10.3006 10.3006 10.4512 10.4512 10.4512 10.4512 11.3457 11.3457 11.3459 11.3459 12.9155 12.9155 12.9158 12.9158 13.9362 13.9362 13.9364 13.9364 k = 0.2414 0.2738 0.2407 ( 2728 PWs) bands (ev): -0.5792 -0.5792 -0.5792 -0.5792 1.3106 1.3106 1.3107 1.3107 7.3233 7.3233 7.3234 7.3234 7.5387 7.5387 7.5388 7.5388 9.0268 9.0268 9.0269 9.0269 9.3213 9.3213 9.3216 9.3216 10.2833 10.2833 10.2836 10.2836 10.5054 10.5054 10.5054 10.5054 11.3571 11.3571 11.3574 11.3574 12.9835 12.9835 12.9838 12.9838 13.9523 13.9523 13.9524 13.9524 k = 0.2328 0.2738 0.2407 ( 2724 PWs) bands (ev): -0.6400 -0.6400 -0.6400 -0.6400 1.2370 1.2370 1.2371 1.2371 7.2843 7.2843 7.2844 7.2844 7.5986 7.5986 7.5987 7.5987 9.0584 9.0584 9.0585 9.0585 9.3652 9.3652 9.3654 9.3654 10.2683 10.2683 10.2685 10.2685 10.5629 10.5629 10.5629 10.5629 11.3692 11.3692 11.3694 11.3694 13.0541 13.0541 13.0543 13.0543 13.9747 13.9747 13.9749 13.9749 k = 0.2241 0.2738 0.2407 ( 2732 PWs) bands (ev): -0.6990 -0.6990 -0.6990 -0.6990 1.1658 1.1658 1.1659 1.1659 7.2447 7.2447 7.2448 7.2448 7.6521 7.6521 7.6522 7.6522 9.0908 9.0908 9.0909 9.0909 9.4019 9.4019 9.4021 9.4021 10.2553 10.2553 10.2555 10.2555 10.6225 10.6225 10.6225 10.6225 11.3814 11.3814 11.3816 11.3816 13.1250 13.1250 13.1252 13.1252 14.0052 14.0052 14.0054 14.0054 k = 0.2155 0.2738 0.2407 ( 2732 PWs) bands (ev): -0.7562 -0.7562 -0.7562 -0.7562 1.0971 1.0971 1.0971 1.0971 7.2049 7.2049 7.2050 7.2050 7.6992 7.6992 7.6993 7.6993 9.1245 9.1245 9.1246 9.1246 9.4314 9.4314 9.4316 9.4316 10.2445 10.2445 10.2448 10.2448 10.6829 10.6829 10.6829 10.6829 11.3935 11.3935 11.3938 11.3938 13.1941 13.1941 13.1943 13.1943 14.0459 14.0459 14.0460 14.0460 k = 0.2069 0.2738 0.2407 ( 2740 PWs) bands (ev): -0.8114 -0.8114 -0.8114 -0.8114 1.0308 1.0308 1.0309 1.0309 7.1652 7.1652 7.1653 7.1653 7.7402 7.7402 7.7403 7.7403 9.1595 9.1595 9.1596 9.1596 9.4538 9.4538 9.4541 9.4541 10.2359 10.2359 10.2362 10.2362 10.7428 10.7428 10.7428 10.7428 11.4053 11.4053 11.4055 11.4055 13.2586 13.2586 13.2588 13.2588 14.0985 14.0985 14.0986 14.0986 k = 0.1983 0.2738 0.2407 ( 2748 PWs) bands (ev): -0.8647 -0.8647 -0.8647 -0.8647 0.9670 0.9670 0.9671 0.9671 7.1258 7.1258 7.1259 7.1259 7.7752 7.7752 7.7753 7.7753 9.1961 9.1961 9.1963 9.1963 9.4698 9.4698 9.4701 9.4701 10.2294 10.2294 10.2296 10.2296 10.8009 10.8009 10.8010 10.8010 11.4164 11.4164 11.4166 11.4166 13.3164 13.3164 13.3166 13.3166 14.1623 14.1623 14.1624 14.1624 k = 0.1897 0.2738 0.2407 ( 2744 PWs) bands (ev): -0.9160 -0.9160 -0.9159 -0.9159 0.9058 0.9058 0.9058 0.9058 7.0871 7.0871 7.0872 7.0872 7.8048 7.8048 7.8049 7.8049 9.2345 9.2345 9.2347 9.2347 9.4799 9.4799 9.4802 9.4802 10.2247 10.2247 10.2250 10.2250 10.8561 10.8561 10.8562 10.8562 11.4264 11.4264 11.4266 11.4266 13.3660 13.3660 13.3662 13.3662 14.1987 14.1987 14.1988 14.1988 k = 0.1810 0.2738 0.2407 ( 2740 PWs) bands (ev): -0.9652 -0.9652 -0.9652 -0.9652 0.8471 0.8471 0.8472 0.8472 7.0491 7.0491 7.0492 7.0492 7.8293 7.8293 7.8294 7.8294 9.2746 9.2746 9.2747 9.2747 9.4849 9.4849 9.4852 9.4852 10.2216 10.2216 10.2218 10.2218 10.9071 10.9071 10.9072 10.9072 11.4349 11.4349 11.4351 11.4351 13.4069 13.4069 13.4071 13.4071 14.2291 14.2291 14.2293 14.2293 k = 0.1724 0.2738 0.2407 ( 2740 PWs) bands (ev): -1.0123 -1.0123 -1.0123 -1.0123 0.7910 0.7910 0.7911 0.7911 7.0122 7.0122 7.0123 7.0123 7.8491 7.8491 7.8492 7.8492 9.3161 9.3161 9.3163 9.3163 9.4858 9.4858 9.4861 9.4861 10.2197 10.2197 10.2199 10.2199 10.9530 10.9530 10.9531 10.9531 11.4416 11.4416 11.4417 11.4417 13.4396 13.4396 13.4398 13.4398 14.2728 14.2728 14.2729 14.2729 k = 0.1638 0.2738 0.2407 ( 2736 PWs) bands (ev): -1.0574 -1.0574 -1.0573 -1.0573 0.7375 0.7375 0.7376 0.7376 6.9763 6.9763 6.9764 6.9764 7.8648 7.8648 7.8649 7.8649 9.3587 9.3587 9.3589 9.3589 9.4839 9.4839 9.4842 9.4842 10.2186 10.2186 10.2189 10.2189 10.9930 10.9930 10.9930 10.9930 11.4464 11.4464 11.4465 11.4465 13.4653 13.4653 13.4655 13.4655 14.3306 14.3306 14.3307 14.3307 k = 0.1552 0.2738 0.2407 ( 2732 PWs) bands (ev): -1.1002 -1.1002 -1.1002 -1.1002 0.6866 0.6866 0.6867 0.6867 6.9417 6.9417 6.9418 6.9418 7.8769 7.8769 7.8770 7.8770 9.4001 9.4001 9.4003 9.4003 9.4818 9.4818 9.4821 9.4821 10.2182 10.2182 10.2185 10.2185 11.0261 11.0261 11.0262 11.0262 11.4495 11.4495 11.4497 11.4497 13.4853 13.4853 13.4855 13.4855 14.4028 14.4028 14.4029 14.4029 k = 0.1466 0.2738 0.2407 ( 2732 PWs) bands (ev): -1.1409 -1.1409 -1.1409 -1.1409 0.6384 0.6384 0.6385 0.6385 6.9085 6.9085 6.9086 6.9086 7.8858 7.8858 7.8858 7.8858 9.4316 9.4316 9.4319 9.4319 9.4890 9.4890 9.4892 9.4892 10.2181 10.2181 10.2184 10.2184 11.0519 11.0519 11.0520 11.0520 11.4510 11.4510 11.4512 11.4512 13.5007 13.5007 13.5009 13.5009 14.4889 14.4889 14.4890 14.4890 k = 0.1379 0.2738 0.2407 ( 2740 PWs) bands (ev): -1.1794 -1.1794 -1.1794 -1.1794 0.5929 0.5929 0.5929 0.5929 6.8767 6.8767 6.8768 6.8768 7.8919 7.8919 7.8920 7.8920 9.4384 9.4384 9.4386 9.4386 9.5208 9.5208 9.5210 9.5210 10.2182 10.2182 10.2184 10.2184 11.0696 11.0696 11.0697 11.0697 11.4517 11.4517 11.4519 11.4519 13.5125 13.5125 13.5127 13.5127 14.5884 14.5884 14.5885 14.5885 k = 0.1293 0.2738 0.2407 ( 2744 PWs) bands (ev): -1.2157 -1.2157 -1.2157 -1.2157 0.5500 0.5500 0.5501 0.5501 6.8465 6.8465 6.8466 6.8466 7.8959 7.8959 7.8959 7.8959 9.4315 9.4315 9.4318 9.4318 9.5664 9.5664 9.5666 9.5666 10.2182 10.2182 10.2185 10.2185 11.0787 11.0787 11.0788 11.0788 11.4524 11.4524 11.4526 11.4526 13.5216 13.5216 13.5219 13.5219 14.7003 14.7003 14.7003 14.7003 k = 0.1207 0.2738 0.2407 ( 2740 PWs) bands (ev): -1.2497 -1.2497 -1.2497 -1.2497 0.5098 0.5098 0.5099 0.5099 6.8179 6.8179 6.8180 6.8180 7.8980 7.8980 7.8980 7.8980 9.4209 9.4209 9.4211 9.4211 9.6164 9.6164 9.6166 9.6166 10.2182 10.2182 10.2185 10.2185 11.0790 11.0790 11.0791 11.0791 11.4540 11.4540 11.4542 11.4542 13.5286 13.5286 13.5288 13.5288 14.8233 14.8233 14.8234 14.8234 k = 0.1121 0.2738 0.2407 ( 2744 PWs) bands (ev): -1.2815 -1.2815 -1.2814 -1.2814 0.4724 0.4724 0.4724 0.4724 6.7910 6.7910 6.7911 6.7911 7.8985 7.8985 7.8986 7.8986 9.4088 9.4088 9.4090 9.4090 9.6685 9.6685 9.6687 9.6687 10.2182 10.2182 10.2184 10.2184 11.0706 11.0706 11.0707 11.0707 11.4567 11.4567 11.4569 11.4569 13.5340 13.5340 13.5342 13.5342 14.9563 14.9563 14.9563 14.9563 k = 0.1034 0.2738 0.2407 ( 2748 PWs) bands (ev): -1.3109 -1.3109 -1.3109 -1.3109 0.4376 0.4376 0.4377 0.4377 6.7659 6.7659 6.7660 6.7660 7.8980 7.8980 7.8980 7.8980 9.3962 9.3962 9.3965 9.3965 9.7219 9.7219 9.7221 9.7221 10.2180 10.2180 10.2182 10.2182 11.0539 11.0539 11.0540 11.0540 11.4607 11.4607 11.4610 11.4610 13.5381 13.5381 13.5383 13.5383 15.0975 15.0975 15.0975 15.0975 k = 0.0948 0.2738 0.2407 ( 2744 PWs) bands (ev): -1.3381 -1.3381 -1.3380 -1.3380 0.4056 0.4056 0.4057 0.4057 6.7426 6.7426 6.7427 6.7427 7.8965 7.8965 7.8966 7.8966 9.3838 9.3838 9.3841 9.3841 9.7763 9.7763 9.7765 9.7765 10.2177 10.2177 10.2179 10.2179 11.0299 11.0299 11.0300 11.0300 11.4660 11.4660 11.4663 11.4663 13.5412 13.5412 13.5414 13.5414 15.2454 15.2454 15.2455 15.2455 k = 0.0862 0.2738 0.2407 ( 2748 PWs) bands (ev): -1.3629 -1.3629 -1.3629 -1.3629 0.3764 0.3764 0.3764 0.3764 6.7211 6.7211 6.7212 6.7212 7.8944 7.8944 7.8945 7.8945 9.3717 9.3717 9.3720 9.3720 9.8312 9.8312 9.8314 9.8314 10.2174 10.2174 10.2176 10.2176 10.9996 10.9996 10.9997 10.9997 11.4721 11.4721 11.4724 11.4724 13.5435 13.5435 13.5437 13.5437 15.3982 15.3982 15.3983 15.3983 k = 0.0776 0.2738 0.2407 ( 2744 PWs) bands (ev): -1.3854 -1.3854 -1.3854 -1.3854 0.3499 0.3499 0.3500 0.3500 6.7016 6.7016 6.7017 6.7017 7.8919 7.8919 7.8920 7.8920 9.3603 9.3603 9.3606 9.3606 9.8866 9.8866 9.8868 9.8868 10.2170 10.2170 10.2172 10.2172 10.9642 10.9642 10.9643 10.9643 11.4788 11.4788 11.4791 11.4791 13.5453 13.5453 13.5455 13.5455 15.5540 15.5540 15.5540 15.5540 k = 0.0690 0.2738 0.2407 ( 2740 PWs) bands (ev): -1.4056 -1.4056 -1.4056 -1.4056 0.3262 0.3262 0.3262 0.3262 6.6841 6.6841 6.6841 6.6841 7.8892 7.8892 7.8893 7.8893 9.3497 9.3497 9.3499 9.3499 9.9420 9.9420 9.9422 9.9422 10.2167 10.2167 10.2169 10.2169 10.9247 10.9247 10.9248 10.9248 11.4856 11.4856 11.4859 11.4859 13.5466 13.5466 13.5468 13.5468 15.7103 15.7103 15.7103 15.7103 k = 0.0603 0.2738 0.2407 ( 2728 PWs) bands (ev): -1.4234 -1.4234 -1.4234 -1.4234 0.3052 0.3052 0.3053 0.3053 6.6685 6.6685 6.6686 6.6686 7.8865 7.8865 7.8866 7.8866 9.3401 9.3401 9.3404 9.3404 9.9969 9.9969 9.9972 9.9972 10.2165 10.2165 10.2167 10.2167 10.8821 10.8821 10.8822 10.8822 11.4921 11.4921 11.4924 11.4924 13.5476 13.5476 13.5478 13.5478 15.8646 15.8646 15.8647 15.8647 k = 0.0517 0.2738 0.2407 ( 2724 PWs) bands (ev): -1.4389 -1.4389 -1.4388 -1.4388 0.2870 0.2870 0.2871 0.2871 6.6550 6.6550 6.6551 6.6551 7.8839 7.8839 7.8839 7.8839 9.3315 9.3315 9.3317 9.3317 10.0509 10.0509 10.0511 10.0511 10.2167 10.2167 10.2169 10.2169 10.8376 10.8376 10.8377 10.8377 11.4981 11.4981 11.4984 11.4984 13.5483 13.5483 13.5485 13.5485 16.0138 16.0138 16.0138 16.0138 k = 0.0431 0.2738 0.2407 ( 2740 PWs) bands (ev): -1.4520 -1.4520 -1.4519 -1.4519 0.2716 0.2716 0.2717 0.2717 6.6434 6.6434 6.6435 6.6435 7.8815 7.8815 7.8815 7.8815 9.3240 9.3240 9.3242 9.3242 10.1025 10.1025 10.1027 10.1027 10.2176 10.2176 10.2178 10.2178 10.7923 10.7923 10.7924 10.7924 11.5033 11.5033 11.5036 11.5036 13.5487 13.5487 13.5490 13.5490 16.1539 16.1539 16.1539 16.1539 k = 0.0345 0.2738 0.2407 ( 2736 PWs) bands (ev): -1.4627 -1.4627 -1.4627 -1.4627 0.2590 0.2590 0.2591 0.2591 6.6340 6.6340 6.6341 6.6341 7.8793 7.8793 7.8794 7.8794 9.3178 9.3178 9.3181 9.3181 10.1496 10.1496 10.1498 10.1498 10.2207 10.2207 10.2209 10.2209 10.7476 10.7476 10.7476 10.7476 11.5078 11.5078 11.5081 11.5081 13.5491 13.5491 13.5493 13.5493 16.2805 16.2805 16.2805 16.2805 k = 0.0259 0.2738 0.2407 ( 2728 PWs) bands (ev): -1.4710 -1.4710 -1.4710 -1.4710 0.2492 0.2492 0.2493 0.2493 6.6266 6.6266 6.6267 6.6267 7.8776 7.8776 7.8777 7.8777 9.3130 9.3130 9.3132 9.3132 10.1847 10.1847 10.1849 10.1849 10.2318 10.2318 10.2320 10.2320 10.7054 10.7054 10.7055 10.7055 11.5114 11.5114 11.5118 11.5118 13.5493 13.5493 13.5496 13.5496 16.3880 16.3880 16.3881 16.3881 k = 0.0172 0.2738 0.2407 ( 2724 PWs) bands (ev): -1.4770 -1.4770 -1.4770 -1.4770 0.2422 0.2422 0.2423 0.2423 6.6214 6.6214 6.6215 6.6215 7.8764 7.8764 7.8764 7.8764 9.3096 9.3096 9.3099 9.3099 10.1992 10.1992 10.1994 10.1994 10.2564 10.2564 10.2566 10.2566 10.6691 10.6691 10.6692 10.6692 11.5141 11.5141 11.5144 11.5144 13.5495 13.5495 13.5497 13.5497 16.4706 16.4706 16.4706 16.4706 k = 0.0086 0.2738 0.2407 ( 2724 PWs) bands (ev): -1.4806 -1.4806 -1.4805 -1.4805 0.2380 0.2380 0.2381 0.2381 6.6182 6.6182 6.6183 6.6183 7.8756 7.8756 7.8756 7.8756 9.3075 9.3075 9.3078 9.3078 10.2030 10.2030 10.2032 10.2032 10.2798 10.2798 10.2801 10.2801 10.6433 10.6433 10.6434 10.6434 11.5156 11.5156 11.5160 11.5160 13.5495 13.5495 13.5498 13.5498 16.5226 16.5226 16.5226 16.5226 k = 0.0000 0.2738 0.2407 ( 2720 PWs) bands (ev): -1.4818 -1.4818 -1.4817 -1.4817 0.2366 0.2366 0.2367 0.2367 6.6171 6.6171 6.6172 6.6172 7.8753 7.8753 7.8754 7.8754 9.3068 9.3068 9.3071 9.3071 10.2039 10.2039 10.2041 10.2041 10.2891 10.2891 10.2894 10.2894 10.6338 10.6338 10.6338 10.6338 11.5162 11.5162 11.5166 11.5166 13.5496 13.5496 13.5498 13.5498 16.5403 16.5403 16.5404 16.5404 k = 0.0000 0.2738 0.2407 ( 2720 PWs) bands (ev): -1.4818 -1.4818 -1.4817 -1.4817 0.2366 0.2366 0.2367 0.2367 6.6171 6.6171 6.6172 6.6172 7.8753 7.8753 7.8754 7.8754 9.3068 9.3068 9.3071 9.3071 10.2039 10.2039 10.2041 10.2041 10.2891 10.2891 10.2894 10.2894 10.6338 10.6338 10.6338 10.6338 11.5162 11.5162 11.5166 11.5166 13.5496 13.5496 13.5498 13.5498 16.5403 16.5403 16.5404 16.5404 k = 0.0000 0.2652 0.2407 ( 2728 PWs) bands (ev): -1.4844 -1.4844 -1.4844 -1.4844 0.2412 0.2412 0.2413 0.2413 6.6134 6.6134 6.6135 6.6135 7.8773 7.8773 7.8774 7.8774 9.3038 9.3038 9.3040 9.3040 10.2026 10.2026 10.2028 10.2028 10.2892 10.2892 10.2895 10.2895 10.6352 10.6352 10.6352 10.6352 11.5161 11.5161 11.5164 11.5164 13.5517 13.5517 13.5519 13.5519 16.5224 16.5224 16.5224 16.5224 k = 0.0000 0.2567 0.2407 ( 2724 PWs) bands (ev): -1.4923 -1.4923 -1.4923 -1.4923 0.2548 0.2548 0.2548 0.2548 6.6025 6.6025 6.6025 6.6025 7.8832 7.8832 7.8832 7.8832 9.2953 9.2953 9.2955 9.2955 10.1989 10.1989 10.1991 10.1991 10.2896 10.2896 10.2899 10.2899 10.6394 10.6394 10.6394 10.6394 11.5156 11.5156 11.5159 11.5159 13.5581 13.5581 13.5583 13.5583 16.4774 16.4774 16.4774 16.4774 k = 0.0000 0.2481 0.2407 ( 2732 PWs) bands (ev): -1.5051 -1.5051 -1.5051 -1.5051 0.2771 0.2771 0.2771 0.2771 6.5844 6.5844 6.5845 6.5845 7.8926 7.8926 7.8926 7.8926 9.2812 9.2812 9.2814 9.2814 10.1931 10.1931 10.1932 10.1932 10.2904 10.2904 10.2906 10.2906 10.6462 10.6462 10.6462 10.6462 11.5146 11.5146 11.5150 11.5150 13.5683 13.5683 13.5686 13.5686 16.4188 16.4188 16.4188 16.4188 k = 0.0000 0.2396 0.2407 ( 2736 PWs) bands (ev): -1.5224 -1.5224 -1.5224 -1.5224 0.3076 0.3076 0.3077 0.3077 6.5597 6.5597 6.5598 6.5598 7.9048 7.9048 7.9049 7.9049 9.2620 9.2620 9.2623 9.2623 10.1855 10.1855 10.1857 10.1857 10.2917 10.2917 10.2920 10.2920 10.6551 10.6551 10.6552 10.6552 11.5134 11.5134 11.5137 11.5137 13.5823 13.5823 13.5826 13.5826 16.3544 16.3544 16.3545 16.3545 k = 0.0000 0.2310 0.2407 ( 2740 PWs) bands (ev): -1.5437 -1.5437 -1.5436 -1.5436 0.3458 0.3458 0.3459 0.3459 6.5289 6.5289 6.5290 6.5290 7.9192 7.9192 7.9193 7.9193 9.2382 9.2382 9.2384 9.2384 10.1769 10.1769 10.1770 10.1770 10.2938 10.2938 10.2940 10.2940 10.6660 10.6660 10.6661 10.6661 11.5119 11.5119 11.5122 11.5122 13.5996 13.5996 13.5999 13.5999 16.2879 16.2879 16.2880 16.2880 k = 0.0000 0.2224 0.2407 ( 2740 PWs) bands (ev): -1.5683 -1.5683 -1.5683 -1.5683 0.3911 0.3911 0.3911 0.3911 6.4924 6.4924 6.4925 6.4925 7.9349 7.9349 7.9349 7.9349 9.2103 9.2103 9.2105 9.2105 10.1677 10.1677 10.1678 10.1678 10.2965 10.2965 10.2968 10.2968 10.6786 10.6786 10.6786 10.6786 11.5100 11.5100 11.5104 11.5104 13.6197 13.6197 13.6200 13.6200 16.2209 16.2209 16.2209 16.2209 k = 0.0000 0.2139 0.2407 ( 2740 PWs) bands (ev): -1.5956 -1.5956 -1.5956 -1.5956 0.4426 0.4426 0.4427 0.4427 6.4507 6.4507 6.4508 6.4508 7.9509 7.9509 7.9509 7.9509 9.1791 9.1791 9.1793 9.1793 10.1585 10.1585 10.1586 10.1586 10.3000 10.3000 10.3003 10.3003 10.6925 10.6925 10.6925 10.6925 11.5079 11.5079 11.5082 11.5082 13.6422 13.6422 13.6424 13.6424 16.1543 16.1543 16.1543 16.1543 k = 0.0000 0.2053 0.2407 ( 2738 PWs) bands (ev): -1.6251 -1.6251 -1.6251 -1.6251 0.4999 0.4999 0.4999 0.4999 6.4045 6.4045 6.4045 6.4045 7.9662 7.9662 7.9662 7.9662 9.1459 9.1459 9.1460 9.1460 10.1498 10.1498 10.1499 10.1499 10.3042 10.3042 10.3045 10.3045 10.7077 10.7077 10.7077 10.7077 11.5054 11.5054 11.5057 11.5057 13.6664 13.6664 13.6667 13.6667 16.0887 16.0887 16.0887 16.0887 k = 0.0000 0.1968 0.2407 ( 2742 PWs) bands (ev): -1.6562 -1.6562 -1.6562 -1.6562 0.5621 0.5621 0.5621 0.5621 6.3540 6.3540 6.3541 6.3541 7.9798 7.9798 7.9798 7.9798 9.1115 9.1115 9.1117 9.1117 10.1418 10.1418 10.1419 10.1419 10.3089 10.3089 10.3092 10.3092 10.7240 10.7240 10.7240 10.7240 11.5026 11.5026 11.5030 11.5030 13.6921 13.6921 13.6923 13.6923 16.0244 16.0244 16.0244 16.0244 k = 0.0000 0.1882 0.2407 ( 2742 PWs) bands (ev): -1.6883 -1.6883 -1.6883 -1.6883 0.6287 0.6287 0.6287 0.6287 6.2997 6.2997 6.2998 6.2998 7.9906 7.9906 7.9907 7.9907 9.0775 9.0775 9.0776 9.0776 10.1348 10.1348 10.1349 10.1349 10.3142 10.3142 10.3145 10.3145 10.7414 10.7414 10.7415 10.7415 11.4996 11.4996 11.4999 11.4999 13.7187 13.7187 13.7189 13.7189 15.9616 15.9616 15.9617 15.9617 k = 0.0000 0.1797 0.2407 ( 2750 PWs) bands (ev): -1.7210 -1.7210 -1.7210 -1.7210 0.6990 0.6990 0.6990 0.6990 6.2420 6.2420 6.2421 6.2421 7.9978 7.9978 7.9978 7.9978 9.0450 9.0450 9.0451 9.0451 10.1289 10.1289 10.1289 10.1289 10.3199 10.3199 10.3202 10.3202 10.7598 10.7598 10.7599 10.7599 11.4963 11.4963 11.4966 11.4966 13.7461 13.7461 13.7463 13.7463 15.9007 15.9007 15.9007 15.9007 k = 0.0000 0.1711 0.2407 ( 2746 PWs) bands (ev): -1.7539 -1.7539 -1.7539 -1.7539 0.7725 0.7725 0.7726 0.7726 6.1813 6.1813 6.1813 6.1813 8.0005 8.0005 8.0006 8.0006 9.0152 9.0152 9.0153 9.0153 10.1239 10.1239 10.1240 10.1240 10.3262 10.3262 10.3265 10.3265 10.7794 10.7794 10.7795 10.7795 11.4928 11.4928 11.4932 11.4932 13.7738 13.7738 13.7740 13.7740 15.8417 15.8417 15.8417 15.8417 k = 0.0000 0.1626 0.2407 ( 2746 PWs) bands (ev): -1.7867 -1.7867 -1.7867 -1.7867 0.8488 0.8488 0.8488 0.8488 6.1178 6.1178 6.1178 6.1178 7.9982 7.9982 7.9982 7.9982 8.9893 8.9893 8.9894 8.9894 10.1200 10.1200 10.1201 10.1201 10.3328 10.3328 10.3331 10.3331 10.8000 10.8000 10.8001 10.8001 11.4891 11.4891 11.4895 11.4895 13.8018 13.8018 13.8020 13.8020 15.7848 15.7848 15.7849 15.7849 k = 0.0000 0.1540 0.2407 ( 2744 PWs) bands (ev): -1.8190 -1.8190 -1.8190 -1.8190 0.9271 0.9271 0.9272 0.9272 6.0518 6.0518 6.0518 6.0518 7.9904 7.9904 7.9905 7.9905 8.9680 8.9680 8.9681 8.9681 10.1169 10.1169 10.1170 10.1170 10.3398 10.3398 10.3401 10.3401 10.8216 10.8216 10.8217 10.8217 11.4853 11.4853 11.4856 11.4856 13.8298 13.8298 13.8300 13.8300 15.7302 15.7302 15.7302 15.7302 k = 0.0000 0.1454 0.2407 ( 2736 PWs) bands (ev): -1.8506 -1.8506 -1.8505 -1.8505 1.0072 1.0072 1.0072 1.0072 5.9837 5.9837 5.9837 5.9837 7.9774 7.9774 7.9774 7.9774 8.9517 8.9517 8.9518 8.9518 10.1147 10.1147 10.1149 10.1149 10.3469 10.3469 10.3472 10.3472 10.8442 10.8442 10.8444 10.8444 11.4812 11.4812 11.4816 11.4816 13.8580 13.8580 13.8582 13.8582 15.6778 15.6778 15.6778 15.6778 k = 0.0000 0.1369 0.2407 ( 2736 PWs) bands (ev): -1.8812 -1.8812 -1.8812 -1.8812 1.0884 1.0884 1.0884 1.0884 5.9138 5.9138 5.9138 5.9138 7.9594 7.9594 7.9595 7.9595 8.9404 8.9404 8.9404 8.9404 10.1131 10.1131 10.1133 10.1133 10.3543 10.3543 10.3546 10.3546 10.8677 10.8677 10.8679 10.8679 11.4771 11.4771 11.4774 11.4774 13.8862 13.8862 13.8864 13.8864 15.6279 15.6279 15.6279 15.6279 k = 0.0000 0.1283 0.2407 ( 2738 PWs) bands (ev): -1.9107 -1.9107 -1.9106 -1.9106 1.1702 1.1702 1.1703 1.1703 5.8425 5.8425 5.8425 5.8425 7.9372 7.9372 7.9373 7.9373 8.9337 8.9337 8.9338 8.9338 10.1121 10.1121 10.1123 10.1123 10.3616 10.3616 10.3619 10.3619 10.8920 10.8920 10.8922 10.8922 11.4729 11.4729 11.4732 11.4732 13.9145 13.9145 13.9146 13.9146 15.5806 15.5806 15.5806 15.5806 k = 0.0000 0.1198 0.2407 ( 2734 PWs) bands (ev): -1.9388 -1.9388 -1.9388 -1.9388 1.2522 1.2522 1.2522 1.2522 5.7703 5.7703 5.7703 5.7703 7.9117 7.9117 7.9118 7.9118 8.9312 8.9312 8.9312 8.9312 10.1116 10.1116 10.1118 10.1118 10.3691 10.3691 10.3694 10.3694 10.9169 10.9169 10.9171 10.9171 11.4687 11.4687 11.4690 11.4690 13.9429 13.9429 13.9431 13.9431 15.5358 15.5358 15.5358 15.5358 k = 0.0000 0.1112 0.2407 ( 2736 PWs) bands (ev): -1.9655 -1.9655 -1.9655 -1.9655 1.3337 1.3337 1.3337 1.3337 5.6976 5.6976 5.6976 5.6976 7.8839 7.8839 7.8840 7.8840 8.9320 8.9320 8.9320 8.9320 10.1113 10.1113 10.1115 10.1115 10.3764 10.3764 10.3767 10.3767 10.9424 10.9424 10.9425 10.9425 11.4645 11.4645 11.4648 11.4648 13.9716 13.9716 13.9718 13.9718 15.4938 15.4938 15.4938 15.4938 k = 0.0000 0.1027 0.2407 ( 2732 PWs) bands (ev): -1.9907 -1.9907 -1.9906 -1.9906 1.4141 1.4141 1.4142 1.4142 5.6250 5.6250 5.6250 5.6250 7.8548 7.8548 7.8549 7.8549 8.9354 8.9354 8.9355 8.9355 10.1114 10.1114 10.1116 10.1116 10.3836 10.3836 10.3839 10.3839 10.9680 10.9680 10.9681 10.9681 11.4603 11.4603 11.4607 11.4607 14.0007 14.0007 14.0008 14.0008 15.4545 15.4545 15.4545 15.4545 k = 0.0000 0.0941 0.2407 ( 2732 PWs) bands (ev): -2.0141 -2.0141 -2.0141 -2.0141 1.4929 1.4929 1.4929 1.4929 5.5531 5.5531 5.5531 5.5531 7.8254 7.8254 7.8255 7.8255 8.9408 8.9408 8.9409 8.9409 10.1117 10.1117 10.1119 10.1119 10.3907 10.3907 10.3911 10.3911 10.9934 10.9934 10.9936 10.9936 11.4563 11.4563 11.4566 11.4566 14.0302 14.0302 14.0303 14.0303 15.4181 15.4181 15.4181 15.4181 k = 0.0000 0.0856 0.2407 ( 2734 PWs) bands (ev): -2.0357 -2.0357 -2.0357 -2.0357 1.5693 1.5693 1.5693 1.5693 5.4827 5.4827 5.4827 5.4827 7.7964 7.7964 7.7965 7.7965 8.9474 8.9474 8.9475 8.9475 10.1120 10.1120 10.1122 10.1122 10.3975 10.3975 10.3978 10.3978 11.0184 11.0184 11.0186 11.0186 11.4523 11.4523 11.4527 11.4527 14.0602 14.0602 14.0604 14.0604 15.3845 15.3845 15.3845 15.3845 k = 0.0000 0.0770 0.2407 ( 2734 PWs) bands (ev): -2.0555 -2.0555 -2.0555 -2.0555 1.6425 1.6425 1.6425 1.6425 5.4146 5.4146 5.4146 5.4146 7.7686 7.7686 7.7687 7.7687 8.9547 8.9547 8.9548 8.9548 10.1125 10.1125 10.1127 10.1127 10.4038 10.4038 10.4042 10.4042 11.0427 11.0427 11.0429 11.0429 11.4486 11.4486 11.4490 11.4490 14.0907 14.0907 14.0909 14.0909 15.3538 15.3538 15.3539 15.3539 k = 0.0000 0.0684 0.2407 ( 2742 PWs) bands (ev): -2.0734 -2.0734 -2.0734 -2.0734 1.7117 1.7117 1.7118 1.7118 5.3496 5.3496 5.3497 5.3497 7.7425 7.7425 7.7427 7.7427 8.9622 8.9622 8.9623 8.9623 10.1130 10.1130 10.1133 10.1133 10.4097 10.4097 10.4101 10.4101 11.0657 11.0657 11.0659 11.0659 11.4451 11.4451 11.4455 11.4455 14.1216 14.1216 14.1217 14.1217 15.3261 15.3261 15.3261 15.3261 k = 0.0000 0.0599 0.2407 ( 2746 PWs) bands (ev): -2.0893 -2.0893 -2.0893 -2.0893 1.7761 1.7761 1.7761 1.7761 5.2888 5.2888 5.2888 5.2888 7.7187 7.7187 7.7188 7.7188 8.9696 8.9696 8.9697 8.9697 10.1135 10.1135 10.1138 10.1138 10.4151 10.4151 10.4154 10.4154 11.0873 11.0873 11.0875 11.0875 11.4419 11.4419 11.4423 11.4423 14.1527 14.1527 14.1528 14.1528 15.3011 15.3011 15.3011 15.3011 k = 0.0000 0.0513 0.2407 ( 2744 PWs) bands (ev): -2.1032 -2.1032 -2.1031 -2.1031 1.8347 1.8347 1.8347 1.8347 5.2331 5.2331 5.2331 5.2331 7.6975 7.6975 7.6976 7.6976 8.9764 8.9764 8.9765 8.9765 10.1141 10.1141 10.1144 10.1144 10.4199 10.4199 10.4203 10.4203 11.1071 11.1071 11.1073 11.1073 11.4390 11.4390 11.4394 11.4394 14.1836 14.1836 14.1837 14.1837 15.2783 15.2783 15.2783 15.2783 k = 0.0000 0.0428 0.2407 ( 2742 PWs) bands (ev): -2.1149 -2.1149 -2.1149 -2.1149 1.8864 1.8864 1.8864 1.8864 5.1836 5.1836 5.1836 5.1836 7.6791 7.6791 7.6792 7.6792 8.9826 8.9826 8.9827 8.9827 10.1146 10.1146 10.1149 10.1149 10.4242 10.4242 10.4246 10.4246 11.1245 11.1245 11.1247 11.1247 11.4366 11.4366 11.4369 11.4369 14.2136 14.2136 14.2137 14.2137 15.2547 15.2547 15.2547 15.2547 k = 0.0000 0.0342 0.2407 ( 2742 PWs) bands (ev): -2.1246 -2.1246 -2.1246 -2.1246 1.9304 1.9304 1.9305 1.9305 5.1413 5.1413 5.1414 5.1414 7.6638 7.6638 7.6639 7.6639 8.9879 8.9879 8.9880 8.9880 10.1150 10.1150 10.1153 10.1153 10.4278 10.4278 10.4281 10.4281 11.1392 11.1392 11.1395 11.1395 11.4345 11.4345 11.4349 11.4349 14.2417 14.2417 14.2419 14.2419 15.2166 15.2166 15.2166 15.2166 k = 0.0000 0.0257 0.2407 ( 2740 PWs) bands (ev): -2.1322 -2.1322 -2.1322 -2.1322 1.9658 1.9658 1.9658 1.9658 5.1072 5.1072 5.1073 5.1073 7.6518 7.6518 7.6519 7.6519 8.9922 8.9922 8.9923 8.9923 10.1153 10.1153 10.1156 10.1156 10.4306 10.4306 10.4309 10.4309 11.1510 11.1510 11.1513 11.1513 11.4329 11.4329 11.4333 11.4333 14.2665 14.2665 14.2667 14.2667 15.1684 15.1684 15.1685 15.1685 k = 0.0000 0.0171 0.2407 ( 2732 PWs) bands (ev): -2.1376 -2.1376 -2.1376 -2.1376 1.9917 1.9917 1.9917 1.9917 5.0822 5.0822 5.0822 5.0822 7.6431 7.6431 7.6433 7.6433 8.9952 8.9952 8.9954 8.9954 10.1156 10.1156 10.1159 10.1159 10.4327 10.4327 10.4330 10.4330 11.1597 11.1597 11.1599 11.1599 11.4318 11.4318 11.4321 11.4321 14.2863 14.2863 14.2865 14.2865 15.1291 15.1291 15.1292 15.1292 k = 0.0000 0.0086 0.2407 ( 2736 PWs) bands (ev): -2.1409 -2.1409 -2.1408 -2.1408 2.0075 2.0075 2.0075 2.0075 5.0668 5.0668 5.0669 5.0669 7.6379 7.6379 7.6380 7.6380 8.9971 8.9971 8.9972 8.9972 10.1158 10.1158 10.1160 10.1160 10.4338 10.4338 10.4341 10.4341 11.1649 11.1649 11.1652 11.1652 11.4310 11.4310 11.4314 11.4314 14.2991 14.2991 14.2993 14.2993 15.1040 15.1040 15.1041 15.1041 k = 0.0000 0.0000 0.2407 ( 2736 PWs) bands (ev): -2.1419 -2.1419 -2.1419 -2.1419 2.0128 2.0128 2.0129 2.0129 5.0617 5.0617 5.0617 5.0617 7.6361 7.6361 7.6363 7.6363 8.9978 8.9978 8.9979 8.9979 10.1158 10.1158 10.1161 10.1161 10.4342 10.4342 10.4346 10.4346 11.1667 11.1667 11.1669 11.1669 11.4308 11.4308 11.4312 11.4312 14.3036 14.3036 14.3038 14.3038 15.0954 15.0954 15.0955 15.0955 k = 0.0000 0.2738-0.0000 ( 2708 PWs) bands (ev): -1.8696 -1.8696 -1.8696 -1.8696 1.3333 1.3333 1.3333 1.3333 4.6924 4.6924 4.6924 4.6924 8.8810 8.8810 8.8811 8.8811 8.9963 8.9963 8.9965 8.9965 10.2955 10.2955 10.2957 10.2957 10.3878 10.3878 10.3881 10.3881 10.7908 10.7908 10.7910 10.7910 11.4753 11.4753 11.4756 11.4756 15.2419 15.2419 15.2420 15.2420 15.7765 15.7765 15.7767 15.7767 k = 0.0000 0.2738 0.0086 ( 2720 PWs) bands (ev): -1.8686 -1.8686 -1.8686 -1.8686 1.3293 1.3293 1.3293 1.3293 4.6979 4.6979 4.6979 4.6979 8.8721 8.8721 8.8722 8.8722 9.0048 9.0048 9.0050 9.0050 10.2954 10.2954 10.2956 10.2956 10.3876 10.3876 10.3879 10.3879 10.7888 10.7888 10.7890 10.7890 11.4752 11.4752 11.4756 11.4756 15.2277 15.2277 15.2278 15.2278 15.7908 15.7908 15.7909 15.7909 k = 0.0000 0.2738 0.0172 ( 2720 PWs) bands (ev): -1.8659 -1.8659 -1.8659 -1.8659 1.3173 1.3173 1.3174 1.3174 4.7144 4.7144 4.7144 4.7144 8.8508 8.8508 8.8509 8.8509 9.0255 9.0255 9.0257 9.0257 10.2952 10.2952 10.2955 10.2955 10.3872 10.3872 10.3874 10.3874 10.7830 10.7830 10.7832 10.7832 11.4756 11.4756 11.4760 11.4760 15.1889 15.1889 15.1890 15.1890 15.8297 15.8297 15.8298 15.8298 k = 0.0000 0.2738 0.0258 ( 2718 PWs) bands (ev): -1.8613 -1.8613 -1.8613 -1.8613 1.2977 1.2977 1.2978 1.2978 4.7415 4.7415 4.7416 4.7416 8.8236 8.8236 8.8237 8.8237 9.0516 9.0516 9.0517 9.0517 10.2950 10.2950 10.2953 10.2953 10.3863 10.3863 10.3865 10.3865 10.7734 10.7734 10.7737 10.7737 11.4763 11.4763 11.4767 11.4767 15.1332 15.1332 15.1332 15.1332 15.8852 15.8852 15.8853 15.8853 k = 0.0000 0.2738 0.0344 ( 2718 PWs) bands (ev): -1.8549 -1.8549 -1.8549 -1.8549 1.2710 1.2710 1.2710 1.2710 4.7789 4.7789 4.7789 4.7789 8.7937 8.7937 8.7937 8.7937 9.0798 9.0798 9.0799 9.0799 10.2947 10.2947 10.2950 10.2950 10.3851 10.3851 10.3853 10.3853 10.7604 10.7604 10.7607 10.7607 11.4772 11.4772 11.4775 11.4775 15.0669 15.0669 15.0669 15.0669 15.9455 15.9455 15.9455 15.9455 k = 0.0000 0.2738 0.0430 ( 2718 PWs) bands (ev): -1.8468 -1.8468 -1.8468 -1.8468 1.2376 1.2376 1.2376 1.2376 4.8257 4.8257 4.8258 4.8258 8.7622 8.7622 8.7622 8.7622 9.1087 9.1087 9.1088 9.1088 10.2943 10.2943 10.2946 10.2946 10.3834 10.3834 10.3835 10.3835 10.7445 10.7445 10.7447 10.7447 11.4783 11.4783 11.4787 11.4787 14.9941 14.9941 14.9942 14.9942 15.9649 15.9649 15.9649 15.9649 k = 0.0000 0.2738 0.0516 ( 2722 PWs) bands (ev): -1.8369 -1.8369 -1.8369 -1.8369 1.1983 1.1983 1.1984 1.1984 4.8815 4.8815 4.8815 4.8815 8.7298 8.7298 8.7298 8.7298 9.1375 9.1375 9.1376 9.1376 10.2938 10.2938 10.2941 10.2941 10.3810 10.3810 10.3811 10.3811 10.7260 10.7260 10.7262 10.7262 11.4797 11.4797 11.4801 11.4801 14.9173 14.9173 14.9174 14.9174 15.9768 15.9768 15.9768 15.9768 k = 0.0000 0.2738 0.0602 ( 2722 PWs) bands (ev): -1.8253 -1.8253 -1.8253 -1.8253 1.1539 1.1539 1.1540 1.1540 4.9453 4.9453 4.9453 4.9453 8.6965 8.6965 8.6965 8.6965 9.1658 9.1658 9.1658 9.1658 10.2932 10.2932 10.2935 10.2935 10.3778 10.3778 10.3780 10.3780 10.7058 10.7058 10.7060 10.7060 11.4813 11.4813 11.4817 11.4817 14.8378 14.8378 14.8379 14.8379 15.9902 15.9902 15.9903 15.9903 k = 0.0000 0.2738 0.0688 ( 2724 PWs) bands (ev): -1.8122 -1.8122 -1.8122 -1.8122 1.1051 1.1051 1.1052 1.1052 5.0163 5.0163 5.0163 5.0163 8.6625 8.6625 8.6626 8.6626 9.1931 9.1931 9.1932 9.1932 10.2925 10.2925 10.2928 10.2928 10.3737 10.3737 10.3738 10.3738 10.6845 10.6845 10.6847 10.6847 11.4830 11.4830 11.4834 11.4834 14.7565 14.7565 14.7566 14.7566 16.0055 16.0055 16.0056 16.0056 k = 0.0000 0.2738 0.0774 ( 2716 PWs) bands (ev): -1.7975 -1.7975 -1.7975 -1.7975 1.0528 1.0528 1.0528 1.0528 5.0938 5.0938 5.0938 5.0938 8.6277 8.6277 8.6278 8.6278 9.2192 9.2192 9.2193 9.2193 10.2918 10.2918 10.2921 10.2921 10.3683 10.3683 10.3684 10.3684 10.6631 10.6631 10.6633 10.6633 11.4851 11.4851 11.4854 11.4854 14.6740 14.6740 14.6741 14.6741 16.0227 16.0227 16.0228 16.0228 k = 0.0000 0.2738 0.0860 ( 2726 PWs) bands (ev): -1.7814 -1.7814 -1.7814 -1.7814 0.9976 0.9976 0.9976 0.9976 5.1768 5.1768 5.1768 5.1768 8.5920 8.5920 8.5921 8.5921 9.2436 9.2436 9.2437 9.2437 10.2909 10.2909 10.2912 10.2912 10.3614 10.3614 10.3615 10.3615 10.6425 10.6425 10.6427 10.6427 11.4871 11.4871 11.4874 11.4874 14.5907 14.5907 14.5908 14.5908 16.0418 16.0418 16.0418 16.0418 k = 0.0000 0.2738 0.0946 ( 2724 PWs) bands (ev): -1.7639 -1.7639 -1.7639 -1.7639 0.9403 0.9403 0.9403 0.9403 5.2647 5.2647 5.2647 5.2647 8.5554 8.5554 8.5554 8.5554 9.2660 9.2660 9.2661 9.2661 10.2899 10.2899 10.2902 10.2902 10.3527 10.3527 10.3528 10.3528 10.6238 10.6238 10.6240 10.6240 11.4892 11.4892 11.4896 11.4896 14.5070 14.5070 14.5072 14.5072 16.0627 16.0627 16.0627 16.0627 k = 0.0000 0.2738 0.1032 ( 2724 PWs) bands (ev): -1.7453 -1.7453 -1.7453 -1.7453 0.8816 0.8816 0.8817 0.8817 5.3565 5.3565 5.3566 5.3566 8.5175 8.5175 8.5176 8.5176 9.2861 9.2861 9.2862 9.2862 10.2887 10.2887 10.2889 10.2889 10.3424 10.3424 10.3424 10.3424 10.6077 10.6077 10.6079 10.6079 11.4915 11.4915 11.4918 11.4918 14.4234 14.4234 14.4235 14.4235 16.0854 16.0854 16.0855 16.0855 k = 0.0000 0.2738 0.1117 ( 2722 PWs) bands (ev): -1.7256 -1.7256 -1.7256 -1.7256 0.8222 0.8222 0.8223 0.8223 5.4517 5.4517 5.4517 5.4517 8.4784 8.4784 8.4785 8.4785 9.3035 9.3035 9.3037 9.3037 10.2871 10.2871 10.2874 10.2874 10.3306 10.3306 10.3306 10.3306 10.5949 10.5949 10.5952 10.5952 11.4938 11.4938 11.4942 11.4942 14.3402 14.3402 14.3404 14.3404 16.1099 16.1099 16.1099 16.1099 k = 0.0000 0.2738 0.1203 ( 2730 PWs) bands (ev): -1.7051 -1.7051 -1.7050 -1.7050 0.7627 0.7627 0.7628 0.7628 5.5493 5.5493 5.5493 5.5493 8.4378 8.4378 8.4379 8.4379 9.3179 9.3179 9.3181 9.3181 10.2848 10.2848 10.2850 10.2850 10.3181 10.3181 10.3182 10.3182 10.5857 10.5857 10.5859 10.5859 11.4961 11.4961 11.4964 11.4964 14.2580 14.2580 14.2582 14.2582 16.1361 16.1361 16.1361 16.1361 k = 0.0000 0.2738 0.1289 ( 2730 PWs) bands (ev): -1.6838 -1.6838 -1.6838 -1.6838 0.7038 0.7038 0.7038 0.7038 5.6487 5.6487 5.6488 5.6488 8.3956 8.3956 8.3957 8.3957 9.3292 9.3292 9.3294 9.3294 10.2806 10.2806 10.2808 10.2808 10.3068 10.3068 10.3069 10.3069 10.5800 10.5800 10.5802 10.5802 11.4984 11.4984 11.4987 11.4987 14.1772 14.1772 14.1774 14.1774 16.1638 16.1638 16.1639 16.1639 k = 0.0000 0.2738 0.1375 ( 2730 PWs) bands (ev): -1.6621 -1.6621 -1.6621 -1.6621 0.6459 0.6459 0.6460 0.6460 5.7492 5.7492 5.7492 5.7492 8.3518 8.3518 8.3518 8.3518 9.3372 9.3372 9.3374 9.3374 10.2730 10.2730 10.2731 10.2731 10.2989 10.2989 10.2991 10.2991 10.5777 10.5777 10.5778 10.5778 11.5007 11.5007 11.5010 11.5010 14.0984 14.0984 14.0986 14.0986 16.1931 16.1931 16.1931 16.1931 k = 0.0000 0.2738 0.1461 ( 2724 PWs) bands (ev): -1.6402 -1.6402 -1.6402 -1.6402 0.5898 0.5898 0.5898 0.5898 5.8498 5.8498 5.8499 5.8499 8.3062 8.3062 8.3062 8.3062 9.3420 9.3420 9.3422 9.3422 10.2625 10.2625 10.2626 10.2626 10.2947 10.2947 10.2950 10.2950 10.5782 10.5782 10.5783 10.5783 11.5029 11.5029 11.5032 11.5032 14.0223 14.0223 14.0225 14.0225 16.2238 16.2238 16.2239 16.2239 k = 0.0000 0.2738 0.1547 ( 2730 PWs) bands (ev): -1.6184 -1.6184 -1.6183 -1.6183 0.5359 0.5359 0.5359 0.5359 5.9499 5.9499 5.9500 5.9500 8.2589 8.2589 8.2590 8.2590 9.3438 9.3438 9.3440 9.3440 10.2511 10.2511 10.2512 10.2512 10.2926 10.2926 10.2929 10.2929 10.5810 10.5810 10.5811 10.5811 11.5050 11.5050 11.5053 11.5053 13.9494 13.9494 13.9496 13.9496 16.2558 16.2558 16.2559 16.2559 k = 0.0000 0.2738 0.1633 ( 2726 PWs) bands (ev): -1.5969 -1.5969 -1.5969 -1.5969 0.4847 0.4847 0.4848 0.4848 6.0485 6.0485 6.0485 6.0485 8.2103 8.2103 8.2104 8.2104 9.3430 9.3430 9.3432 9.3432 10.2406 10.2406 10.2407 10.2407 10.2913 10.2913 10.2916 10.2916 10.5857 10.5857 10.5858 10.5858 11.5069 11.5069 11.5073 11.5073 13.8806 13.8806 13.8808 13.8808 16.2890 16.2890 16.2890 16.2890 k = 0.0000 0.2738 0.1719 ( 2724 PWs) bands (ev): -1.5762 -1.5762 -1.5762 -1.5762 0.4369 0.4369 0.4370 0.4370 6.1445 6.1445 6.1445 6.1445 8.1606 8.1606 8.1607 8.1607 9.3400 9.3400 9.3402 9.3402 10.2315 10.2315 10.2316 10.2316 10.2905 10.2905 10.2908 10.2908 10.5918 10.5918 10.5919 10.5919 11.5088 11.5088 11.5091 11.5091 13.8164 13.8164 13.8167 13.8167 16.3230 16.3230 16.3230 16.3230 k = 0.0000 0.2738 0.1805 ( 2736 PWs) bands (ev): -1.5566 -1.5566 -1.5565 -1.5565 0.3931 0.3931 0.3931 0.3931 6.2367 6.2367 6.2367 6.2367 8.1105 8.1105 8.1105 8.1105 9.3354 9.3354 9.3357 9.3357 10.2238 10.2238 10.2239 10.2239 10.2899 10.2899 10.2902 10.2902 10.5987 10.5987 10.5988 10.5988 11.5104 11.5104 11.5107 11.5107 13.7576 13.7576 13.7578 13.7578 16.3576 16.3576 16.3577 16.3577 k = 0.0000 0.2738 0.1891 ( 2736 PWs) bands (ev): -1.5384 -1.5384 -1.5384 -1.5384 0.3536 0.3536 0.3537 0.3537 6.3236 6.3236 6.3237 6.3237 8.0609 8.0609 8.0610 8.0610 9.3299 9.3299 9.3302 9.3302 10.2176 10.2176 10.2178 10.2178 10.2896 10.2896 10.2899 10.2899 10.6061 10.6061 10.6061 10.6061 11.5119 11.5119 11.5122 11.5122 13.7049 13.7049 13.7051 13.7051 16.3925 16.3925 16.3925 16.3925 k = 0.0000 0.2738 0.1977 ( 2736 PWs) bands (ev): -1.5222 -1.5222 -1.5222 -1.5222 0.3192 0.3192 0.3192 0.3192 6.4036 6.4036 6.4037 6.4037 8.0133 8.0133 8.0133 8.0133 9.3241 9.3241 9.3243 9.3243 10.2129 10.2129 10.2131 10.2131 10.2893 10.2893 10.2896 10.2896 10.6133 10.6133 10.6134 10.6134 11.5132 11.5132 11.5135 11.5135 13.6589 13.6589 13.6591 13.6591 16.4270 16.4270 16.4270 16.4270 k = 0.0000 0.2738 0.2063 ( 2730 PWs) bands (ev): -1.5082 -1.5082 -1.5082 -1.5082 0.2901 0.2901 0.2902 0.2902 6.4745 6.4745 6.4746 6.4746 7.9693 7.9693 7.9693 7.9693 9.3185 9.3185 9.3187 9.3187 10.2094 10.2094 10.2096 10.2096 10.2892 10.2892 10.2895 10.2895 10.6200 10.6200 10.6201 10.6201 11.5143 11.5143 11.5146 11.5146 13.6204 13.6204 13.6206 13.6206 16.4603 16.4603 16.4603 16.4603 k = 0.0000 0.2738 0.2149 ( 2738 PWs) bands (ev): -1.4969 -1.4969 -1.4969 -1.4969 0.2670 0.2670 0.2671 0.2671 6.5339 6.5339 6.5340 6.5340 7.9310 7.9310 7.9311 7.9311 9.3136 9.3136 9.3138 9.3138 10.2068 10.2068 10.2070 10.2070 10.2891 10.2891 10.2894 10.2894 10.6257 10.6257 10.6258 10.6258 11.5150 11.5150 11.5154 11.5154 13.5897 13.5897 13.5900 13.5900 16.4908 16.4908 16.4908 16.4908 k = 0.0000 0.2738 0.2235 ( 2738 PWs) bands (ev): -1.4886 -1.4886 -1.4886 -1.4886 0.2503 0.2503 0.2503 0.2503 6.5790 6.5790 6.5791 6.5791 7.9011 7.9011 7.9012 7.9012 9.3098 9.3098 9.3100 9.3100 10.2051 10.2051 10.2053 10.2053 10.2890 10.2890 10.2893 10.2893 10.6301 10.6301 10.6301 10.6301 11.5157 11.5157 11.5160 11.5160 13.5675 13.5675 13.5677 13.5677 16.5164 16.5164 16.5164 16.5164 k = 0.0000 0.2738 0.2321 ( 2728 PWs) bands (ev): -1.4835 -1.4835 -1.4835 -1.4835 0.2401 0.2401 0.2401 0.2401 6.6074 6.6074 6.6075 6.6075 7.8820 7.8820 7.8820 7.8820 9.3075 9.3075 9.3078 9.3078 10.2042 10.2042 10.2044 10.2044 10.2891 10.2891 10.2893 10.2893 10.6328 10.6328 10.6329 10.6329 11.5161 11.5161 11.5164 11.5164 13.5541 13.5541 13.5543 13.5543 16.5340 16.5340 16.5340 16.5340 k = 0.0000 0.2738 0.2407 ( 2720 PWs) bands (ev): -1.4818 -1.4818 -1.4817 -1.4817 0.2366 0.2366 0.2367 0.2367 6.6171 6.6171 6.6172 6.6172 7.8753 7.8753 7.8754 7.8754 9.3068 9.3068 9.3071 9.3071 10.2039 10.2039 10.2041 10.2041 10.2891 10.2891 10.2894 10.2894 10.6338 10.6338 10.6338 10.6338 11.5162 11.5162 11.5166 11.5166 13.5496 13.5496 13.5498 13.5498 16.5403 16.5403 16.5404 16.5404 k = 0.5000-0.0000 0.2407 ( 2712 PWs) bands (ev): 1.1686 1.1686 1.1691 1.1691 3.2021 3.2021 3.2038 3.2038 5.1416 5.1416 5.1436 5.1436 7.9076 7.9076 7.9077 7.9077 8.1553 8.1553 8.1565 8.1565 8.7518 8.7518 8.7581 8.7581 9.9525 9.9525 9.9583 9.9583 10.4191 10.4191 10.4202 10.4202 11.3675 11.3675 11.3815 11.3815 12.3683 12.3683 12.3740 12.3740 13.0833 13.0833 13.0905 13.0905 k = 0.5000-0.0000 0.2321 ( 2714 PWs) bands (ev): 1.1674 1.1674 1.1679 1.1679 3.2045 3.2045 3.2061 3.2061 5.1418 5.1418 5.1438 5.1438 7.8992 7.8992 7.8993 7.8993 8.1630 8.1630 8.1643 8.1643 8.7515 8.7515 8.7578 8.7578 9.9527 9.9527 9.9587 9.9587 10.4196 10.4196 10.4209 10.4209 11.3620 11.3620 11.3759 11.3759 12.3682 12.3682 12.3740 12.3740 13.0881 13.0881 13.0955 13.0955 k = 0.5000-0.0000 0.2235 ( 2714 PWs) bands (ev): 1.1640 1.1640 1.1645 1.1645 3.2115 3.2115 3.2131 3.2131 5.1426 5.1426 5.1445 5.1445 7.8765 7.8765 7.8765 7.8765 8.1836 8.1836 8.1851 8.1851 8.7509 8.7509 8.7571 8.7571 9.9536 9.9536 9.9598 9.9598 10.4213 10.4213 10.4232 10.4232 11.3458 11.3458 11.3594 11.3594 12.3679 12.3679 12.3741 12.3741 13.1024 13.1024 13.1104 13.1104 k = 0.5000-0.0000 0.2149 ( 2702 PWs) bands (ev): 1.1584 1.1584 1.1589 1.1589 3.2230 3.2230 3.2247 3.2247 5.1438 5.1438 5.1457 5.1457 7.8443 7.8443 7.8444 7.8444 8.2123 8.2123 8.2141 8.2141 8.7498 8.7498 8.7558 8.7558 9.9549 9.9549 9.9615 9.9615 10.4239 10.4239 10.4270 10.4270 11.3200 11.3200 11.3330 11.3330 12.3675 12.3675 12.3741 12.3741 13.1255 13.1255 13.1342 13.1342 k = 0.5000-0.0000 0.2063 ( 2706 PWs) bands (ev): 1.1508 1.1508 1.1513 1.1513 3.2389 3.2389 3.2406 3.2406 5.1455 5.1455 5.1473 5.1473 7.8063 7.8063 7.8064 7.8064 8.2453 8.2453 8.2475 8.2475 8.7483 8.7483 8.7541 8.7541 9.9564 9.9564 9.9636 9.9636 10.4272 10.4272 10.4318 10.4318 11.2863 11.2863 11.2985 11.2985 12.3669 12.3669 12.3740 12.3740 13.1558 13.1558 13.1656 13.1656 k = 0.5000-0.0000 0.1977 ( 2702 PWs) bands (ev): 1.1412 1.1412 1.1417 1.1417 3.2590 3.2590 3.2606 3.2606 5.1477 5.1477 5.1495 5.1495 7.7648 7.7648 7.7650 7.7650 8.2805 8.2805 8.2832 8.2832 8.7466 8.7466 8.7520 8.7520 9.9579 9.9579 9.9658 9.9658 10.4311 10.4311 10.4376 10.4376 11.2467 11.2467 11.2577 11.2577 12.3660 12.3660 12.3737 12.3737 13.1923 13.1923 13.2034 13.2034 k = 0.5000-0.0000 0.1891 ( 2698 PWs) bands (ev): 1.1300 1.1300 1.1305 1.1305 3.2828 3.2828 3.2844 3.2844 5.1505 5.1505 5.1521 5.1521 7.7210 7.7210 7.7212 7.7212 8.3166 8.3166 8.3199 8.3199 8.7445 8.7445 8.7496 8.7496 9.9590 9.9590 9.9677 9.9677 10.4350 10.4350 10.4440 10.4440 11.2033 11.2033 11.2129 11.2129 12.3650 12.3650 12.3731 12.3731 13.2334 13.2334 13.2459 13.2459 k = 0.5000-0.0000 0.1805 ( 2696 PWs) bands (ev): 1.1173 1.1173 1.1178 1.1178 3.3101 3.3101 3.3116 3.3116 5.1538 5.1538 5.1554 5.1554 7.6756 7.6756 7.6759 7.6759 8.3529 8.3529 8.3569 8.3569 8.7424 8.7424 8.7469 8.7469 9.9590 9.9590 9.9685 9.9685 10.4387 10.4387 10.4506 10.4506 11.1585 11.1585 11.1663 11.1663 12.3637 12.3637 12.3722 12.3722 13.2778 13.2778 13.2917 13.2917 k = 0.5000-0.0000 0.1719 ( 2700 PWs) bands (ev): 1.1034 1.1034 1.1039 1.1039 3.3405 3.3405 3.3420 3.3420 5.1578 5.1578 5.1592 5.1592 7.6290 7.6290 7.6295 7.6295 8.3889 8.3889 8.3937 8.3937 8.7402 8.7402 8.7441 8.7441 9.9574 9.9574 9.9677 9.9677 10.4416 10.4416 10.4569 10.4569 11.1146 11.1146 11.1203 11.1203 12.3622 12.3622 12.3709 12.3709 13.3243 13.3243 13.3395 13.3395 k = 0.5000-0.0000 0.1633 ( 2700 PWs) bands (ev): 1.0886 1.0886 1.0890 1.0890 3.3735 3.3735 3.3750 3.3750 5.1623 5.1623 5.1636 5.1636 7.5817 7.5817 7.5823 7.5823 8.4243 8.4243 8.4300 8.4300 8.7382 8.7382 8.7414 8.7414 9.9533 9.9533 9.9643 9.9643 10.4436 10.4436 10.4625 10.4625 11.0738 11.0738 11.0769 11.0769 12.3605 12.3605 12.3693 12.3693 13.3717 13.3717 13.3884 13.3884 k = 0.5000-0.0000 0.1547 ( 2688 PWs) bands (ev): 1.0730 1.0730 1.0734 1.0734 3.4089 3.4089 3.4103 3.4103 5.1676 5.1676 5.1688 5.1688 7.5338 7.5338 7.5346 7.5346 8.4588 8.4588 8.4655 8.4655 8.7366 8.7366 8.7389 8.7389 9.9461 9.9461 9.9574 9.9574 10.4445 10.4445 10.4670 10.4670 11.0380 11.0380 11.0384 11.0384 12.3586 12.3586 12.3674 12.3674 13.4192 13.4192 13.4373 13.4373 k = 0.5000-0.0000 0.1461 ( 2694 PWs) bands (ev): 1.0569 1.0569 1.0573 1.0573 3.4459 3.4459 3.4473 3.4473 5.1736 5.1736 5.1746 5.1746 7.4855 7.4855 7.4866 7.4866 8.4920 8.4920 8.4999 8.4999 8.7356 8.7356 8.7370 8.7370 9.9344 9.9344 9.9456 9.9456 10.4445 10.4445 10.4702 10.4702 11.0061 11.0061 11.0086 11.0086 12.3564 12.3564 12.3652 12.3652 13.4662 13.4662 13.4856 13.4856 k = 0.5000-0.0000 0.1375 ( 2698 PWs) bands (ev): 1.0406 1.0406 1.0410 1.0410 3.4843 3.4843 3.4856 3.4856 5.1803 5.1803 5.1811 5.1811 7.4371 7.4371 7.4384 7.4384 8.5236 8.5236 8.5329 8.5329 8.7358 8.7358 8.7360 8.7360 9.9176 9.9176 9.9282 9.9282 10.4442 10.4442 10.4725 10.4725 10.9813 10.9813 10.9865 10.9865 12.3542 12.3542 12.3627 12.3627 13.5121 13.5121 13.5326 13.5326 k = 0.5000-0.0000 0.1289 ( 2690 PWs) bands (ev): 1.0243 1.0243 1.0246 1.0246 3.5236 3.5236 3.5248 3.5248 5.1878 5.1878 5.1884 5.1884 7.3888 7.3888 7.3902 7.3902 8.5529 8.5529 8.5637 8.5637 8.7368 8.7368 8.7379 8.7379 9.8951 9.8951 9.9045 9.9045 10.4447 10.4447 10.4743 10.4743 10.9644 10.9644 10.9719 10.9719 12.3519 12.3519 12.3601 12.3601 13.5565 13.5565 13.5780 13.5780 k = 0.5000-0.0000 0.1203 ( 2690 PWs) bands (ev): 1.0082 1.0082 1.0085 1.0085 3.5631 3.5631 3.5643 3.5643 5.1960 5.1960 5.1965 5.1965 7.3407 7.3407 7.3423 7.3423 8.5790 8.5790 8.5913 8.5913 8.7403 8.7403 8.7427 8.7427 9.8666 9.8666 9.8742 9.8742 10.4464 10.4464 10.4764 10.4764 10.9550 10.9550 10.9640 10.9640 12.3494 12.3494 12.3573 12.3573 13.5990 13.5990 13.6215 13.6215 k = 0.5000-0.0000 0.1117 ( 2696 PWs) bands (ev): 0.9924 0.9924 0.9927 0.9927 3.6026 3.6026 3.6036 3.6036 5.2050 5.2050 5.2053 5.2053 7.2932 7.2932 7.2949 7.2949 8.6010 8.6010 8.6144 8.6144 8.7481 8.7481 8.7515 8.7515 9.8321 9.8321 9.8376 9.8376 10.4502 10.4502 10.4793 10.4793 10.9520 10.9520 10.9619 10.9619 12.3470 12.3470 12.3544 12.3544 13.6395 13.6395 13.6626 13.6626 k = 0.5000-0.0000 0.1032 ( 2700 PWs) bands (ev): 0.9772 0.9772 0.9774 0.9774 3.6414 3.6414 3.6424 3.6424 5.2147 5.2147 5.2149 5.2149 7.2464 7.2464 7.2483 7.2483 8.6179 8.6179 8.6316 8.6316 8.7616 8.7616 8.7652 8.7652 9.7924 9.7924 9.7957 9.7957 10.4561 10.4561 10.4836 10.4836 10.9544 10.9544 10.9647 10.9647 12.3444 12.3444 12.3513 12.3513 13.6779 13.6779 13.7014 13.7014 k = 0.5000-0.0000 0.0946 ( 2700 PWs) bands (ev): 0.9626 0.9626 0.9628 0.9628 3.6792 3.6792 3.6801 3.6801 5.2250 5.2250 5.2250 5.2250 7.2008 7.2008 7.2028 7.2028 8.6296 8.6296 8.6426 8.6426 8.7814 8.7814 8.7842 8.7842 9.7485 9.7485 9.7496 9.7496 10.4642 10.4642 10.4896 10.4896 10.9610 10.9610 10.9710 10.9710 12.3419 12.3419 12.3482 12.3482 13.7140 13.7140 13.7377 13.7377 k = 0.5000-0.0000 0.0860 ( 2696 PWs) bands (ev): 0.9489 0.9489 0.9491 0.9491 3.7154 3.7154 3.7162 3.7162 5.2358 5.2358 5.2359 5.2359 7.1567 7.1567 7.1588 7.1588 8.6370 8.6370 8.6487 8.6487 8.8062 8.8062 8.8076 8.8076 9.7004 9.7004 9.7013 9.7013 10.4741 10.4741 10.4970 10.4970 10.9704 10.9704 10.9799 10.9799 12.3394 12.3394 12.3451 12.3451 13.7479 13.7479 13.7714 13.7714 k = 0.5000-0.0000 0.0774 ( 2696 PWs) bands (ev): 0.9362 0.9362 0.9364 0.9364 3.7496 3.7496 3.7503 3.7503 5.2469 5.2469 5.2472 5.2472 7.1145 7.1145 7.1166 7.1166 8.6412 8.6412 8.6514 8.6514 8.8345 8.8345 8.8346 8.8346 9.6494 9.6494 9.6520 9.6520 10.4851 10.4851 10.5055 10.5055 10.9816 10.9816 10.9904 10.9904 12.3371 12.3371 12.3421 12.3421 13.7794 13.7794 13.8024 13.8024 k = 0.5000-0.0000 0.0688 ( 2696 PWs) bands (ev): 0.9245 0.9245 0.9247 0.9247 3.7814 3.7814 3.7821 3.7821 5.2582 5.2582 5.2586 5.2586 7.0747 7.0747 7.0767 7.0767 8.6434 8.6434 8.6522 8.6522 8.8637 8.8637 8.8652 8.8652 9.5975 9.5975 9.6016 9.6016 10.4968 10.4968 10.5147 10.5147 10.9937 10.9937 11.0015 11.0015 12.3348 12.3348 12.3392 12.3392 13.8084 13.8084 13.8305 13.8305 k = 0.5000-0.0000 0.0602 ( 2696 PWs) bands (ev): 0.9140 0.9140 0.9141 0.9141 3.8104 3.8104 3.8110 3.8110 5.2695 5.2695 5.2699 5.2699 7.0377 7.0377 7.0397 7.0397 8.6444 8.6444 8.6518 8.6518 8.8947 8.8947 8.8974 8.8974 9.5457 9.5457 9.5509 9.5509 10.5087 10.5087 10.5240 10.5240 11.0060 11.0060 11.0128 11.0128 12.3327 12.3327 12.3365 12.3365 13.8350 13.8350 13.8558 13.8558 k = 0.5000-0.0000 0.0516 ( 2698 PWs) bands (ev): 0.9047 0.9047 0.9048 0.9048 3.8363 3.8363 3.8368 3.8368 5.2803 5.2803 5.2808 5.2808 7.0041 7.0041 7.0059 7.0059 8.6446 8.6446 8.6508 8.6508 8.9268 8.9268 8.9305 8.9305 9.4948 9.4948 9.5009 9.5009 10.5202 10.5202 10.5331 10.5331 11.0177 11.0177 11.0235 11.0235 12.3308 12.3308 12.3340 12.3340 13.8589 13.8589 13.8779 13.8779 k = 0.5000-0.0000 0.0430 ( 2698 PWs) bands (ev): 0.8968 0.8968 0.8969 0.8969 3.8587 3.8587 3.8591 3.8591 5.2904 5.2904 5.2909 5.2909 6.9744 6.9744 6.9760 6.9760 8.6445 8.6445 8.6495 8.6495 8.9596 8.9596 8.9641 8.9641 9.4455 9.4455 9.4521 9.4521 10.5308 10.5308 10.5414 10.5414 11.0285 11.0285 11.0333 11.0333 12.3292 12.3292 12.3318 12.3318 13.8801 13.8801 13.8969 13.8969 k = 0.5000-0.0000 0.0344 ( 2694 PWs) bands (ev): 0.8902 0.8902 0.8903 0.8903 3.8774 3.8774 3.8778 3.8778 5.2995 5.2995 5.2999 5.2999 6.9492 6.9492 6.9506 6.9506 8.6443 8.6443 8.6483 8.6483 8.9926 8.9926 8.9976 8.9976 9.3988 9.3988 9.4056 9.4056 10.5403 10.5403 10.5486 10.5486 11.0380 11.0380 11.0417 11.0417 12.3279 12.3279 12.3299 12.3299 13.8983 13.8983 13.9125 13.9125 k = 0.5000-0.0000 0.0258 ( 2694 PWs) bands (ev): 0.8850 0.8850 0.8851 0.8851 3.8922 3.8922 3.8925 3.8925 5.3070 5.3070 5.3073 5.3073 6.9291 6.9291 6.9302 6.9302 8.6441 8.6441 8.6470 8.6470 9.0248 9.0248 9.0300 9.0300 9.3559 9.3559 9.3625 9.3625 10.5482 10.5482 10.5544 10.5544 11.0457 11.0457 11.0485 11.0485 12.3269 12.3269 12.3284 12.3284 13.9133 13.9133 13.9244 13.9244 k = 0.5000-0.0000 0.0172 ( 2700 PWs) bands (ev): 0.8813 0.8813 0.8813 0.8813 3.9029 3.9029 3.9031 3.9031 5.3126 5.3126 5.3129 5.3129 6.9144 6.9144 6.9151 6.9151 8.6440 8.6440 8.6460 8.6460 9.0544 9.0544 9.0591 9.0591 9.3192 9.3192 9.3248 9.3248 10.5542 10.5542 10.5584 10.5584 11.0515 11.0515 11.0533 11.0533 12.3262 12.3262 12.3272 12.3272 13.9248 13.9248 13.9324 13.9324 k = 0.5000-0.0000 0.0086 ( 2700 PWs) bands (ev): 0.8791 0.8791 0.8791 0.8791 3.9094 3.9094 3.9095 3.9095 5.3162 5.3162 5.3163 5.3163 6.9055 6.9055 6.9059 6.9059 8.6442 8.6442 8.6451 8.6451 9.0777 9.0777 9.0807 9.0807 9.2932 9.2932 9.2967 9.2967 10.5584 10.5584 10.5604 10.5604 11.0552 11.0552 11.0561 11.0561 12.3258 12.3258 12.3264 12.3264 13.9327 13.9327 13.9366 13.9366 k = 0.5000-0.0000-0.0000 ( 2700 PWs) bands (ev): 0.8783 0.8783 0.8783 0.8783 3.9115 3.9115 3.9116 3.9116 5.3174 5.3174 5.3175 5.3175 6.9026 6.9026 6.9026 6.9026 8.6445 8.6445 8.6446 8.6446 9.0880 9.0880 9.0881 9.0881 9.2845 9.2845 9.2845 9.2845 10.5604 10.5604 10.5606 10.5606 11.0567 11.0567 11.0569 11.0569 12.3257 12.3257 12.3261 12.3261 13.9365 13.9365 13.9368 13.9368 k = 0.5000 0.2738-0.0000 ( 2720 PWs) bands (ev): 0.9916 0.9916 0.9923 0.9923 3.6898 3.6898 3.6982 3.6982 6.3248 6.3248 6.3381 6.3381 6.3516 6.3516 6.3626 6.3626 7.9296 7.9296 7.9481 7.9481 8.3777 8.3777 8.3903 8.3903 9.1395 9.1395 9.1829 9.1829 10.3839 10.3839 10.4364 10.4364 10.9873 10.9873 11.0229 11.0229 12.8125 12.8125 12.8244 12.8244 13.8488 13.8488 13.8662 13.8662 k = 0.5000 0.2738 0.0086 ( 2720 PWs) bands (ev): 0.9921 0.9921 0.9928 0.9928 3.6902 3.6902 3.6986 3.6986 6.3030 6.3030 6.3160 6.3160 6.3655 6.3655 6.3767 6.3767 7.9343 7.9343 7.9525 7.9525 8.3806 8.3806 8.3934 8.3934 9.1402 9.1402 9.1833 9.1833 10.3859 10.3859 10.4382 10.4382 10.9881 10.9881 11.0235 11.0235 12.8122 12.8122 12.8240 12.8240 13.8486 13.8486 13.8660 13.8660 k = 0.5000 0.2738 0.0172 ( 2720 PWs) bands (ev): 0.9937 0.9937 0.9944 0.9944 3.6913 3.6913 3.6997 3.6997 6.2647 6.2647 6.2776 6.2776 6.3805 6.3805 6.3911 6.3911 7.9479 7.9479 7.9652 7.9652 8.3897 8.3897 8.4029 8.4029 9.1422 9.1422 9.1847 9.1847 10.3919 10.3919 10.4436 10.4436 10.9902 10.9902 11.0253 11.0253 12.8110 12.8110 12.8226 12.8226 13.8480 13.8480 13.8655 13.8655 k = 0.5000 0.2738 0.0258 ( 2720 PWs) bands (ev): 0.9964 0.9964 0.9970 0.9970 3.6932 3.6932 3.7015 3.7015 6.2187 6.2187 6.2314 6.2314 6.3888 6.3888 6.3985 6.3985 7.9691 7.9691 7.9848 7.9848 8.4052 8.4052 8.4192 8.4192 9.1455 9.1455 9.1870 9.1870 10.4017 10.4017 10.4525 10.4525 10.9939 10.9939 11.0283 11.0283 12.8090 12.8090 12.8205 12.8205 13.8471 13.8471 13.8648 13.8648 k = 0.5000 0.2738 0.0344 ( 2724 PWs) bands (ev): 1.0000 1.0000 1.0007 1.0007 3.6958 3.6958 3.7040 3.7040 6.1665 6.1665 6.1787 6.1787 6.3901 6.3901 6.3989 6.3989 7.9956 7.9956 8.0093 8.0093 8.4278 8.4278 8.4428 8.4428 9.1501 9.1501 9.1903 9.1903 10.4151 10.4151 10.4647 10.4647 10.9991 10.9991 11.0326 11.0326 12.8063 12.8063 12.8174 12.8174 13.8460 13.8460 13.8639 13.8639 k = 0.5000 0.2738 0.0430 ( 2724 PWs) bands (ev): 1.0047 1.0047 1.0054 1.0054 3.6990 3.6990 3.7072 3.7072 6.1092 6.1092 6.1210 6.1210 6.3852 6.3852 6.3929 6.3929 8.0251 8.0251 8.0367 8.0367 8.4580 8.4580 8.4742 8.4742 9.1562 9.1562 9.1946 9.1946 10.4320 10.4320 10.4799 10.4799 11.0059 11.0059 11.0382 11.0382 12.8027 12.8027 12.8134 12.8134 13.8449 13.8449 13.8631 13.8631 k = 0.5000 0.2738 0.0516 ( 2728 PWs) bands (ev): 1.0103 1.0103 1.0110 1.0110 3.7029 3.7029 3.7110 3.7110 6.0481 6.0481 6.0593 6.0593 6.3746 6.3746 6.3813 6.3813 8.0552 8.0552 8.0646 8.0646 8.4961 8.4961 8.5135 8.5135 9.1638 9.1638 9.2003 9.2003 10.4519 10.4519 10.4979 10.4979 11.0145 11.0145 11.0452 11.0452 12.7983 12.7983 12.8084 12.8084 13.8440 13.8440 13.8625 13.8625 k = 0.5000 0.2738 0.0602 ( 2724 PWs) bands (ev): 1.0168 1.0168 1.0174 1.0174 3.7074 3.7074 3.7154 3.7154 5.9841 5.9841 5.9947 5.9947 6.3591 6.3591 6.3649 6.3649 8.0844 8.0844 8.0918 8.0918 8.5416 8.5416 8.5600 8.5600 9.1734 9.1734 9.2076 9.2076 10.4746 10.4746 10.5182 10.5182 11.0249 11.0249 11.0538 11.0538 12.7931 12.7931 12.8026 12.8026 13.8435 13.8435 13.8624 13.8624 k = 0.5000 0.2738 0.0688 ( 2720 PWs) bands (ev): 1.0242 1.0242 1.0248 1.0248 3.7125 3.7125 3.7204 3.7204 5.9184 5.9184 5.9282 5.9282 6.3395 6.3395 6.3444 6.3444 8.1114 8.1114 8.1171 8.1171 8.5932 8.5932 8.6125 8.6125 9.1856 9.1856 9.2174 9.2174 10.4994 10.4994 10.5403 10.5403 11.0373 11.0373 11.0639 11.0639 12.7871 12.7871 12.7958 12.7958 13.8437 13.8437 13.8630 13.8630 k = 0.5000 0.2738 0.0774 ( 2720 PWs) bands (ev): 1.0322 1.0322 1.0328 1.0328 3.7181 3.7181 3.7258 3.7258 5.8517 5.8517 5.8609 5.8609 6.3164 6.3164 6.3205 6.3205 8.1361 8.1361 8.1405 8.1405 8.6485 8.6485 8.6686 8.6686 9.2015 9.2015 9.2306 9.2306 10.5257 10.5257 10.5636 10.5636 11.0518 11.0518 11.0757 11.0757 12.7801 12.7801 12.7880 12.7880 13.8448 13.8448 13.8645 13.8645 k = 0.5000 0.2738 0.0860 ( 2712 PWs) bands (ev): 1.0410 1.0410 1.0416 1.0416 3.7241 3.7241 3.7316 3.7316 5.7850 5.7850 5.7935 5.7935 6.2906 6.2906 6.2939 6.2939 8.1586 8.1586 8.1619 8.1619 8.7048 8.7048 8.7253 8.7253 9.2224 9.2224 9.2488 9.2488 10.5529 10.5529 10.5875 10.5875 11.0686 11.0686 11.0893 11.0893 12.7722 12.7722 12.7792 12.7792 13.8472 13.8472 13.8674 13.8674 k = 0.5000 0.2738 0.0946 ( 2704 PWs) bands (ev): 1.0504 1.0504 1.0509 1.0509 3.7304 3.7304 3.7378 3.7378 5.7189 5.7189 5.7267 5.7267 6.2626 6.2626 6.2653 6.2653 8.1792 8.1792 8.1818 8.1818 8.7584 8.7584 8.7792 8.7792 9.2504 9.2504 9.2741 9.2741 10.5804 10.5804 10.6112 10.6112 11.0878 11.0878 11.1049 11.1049 12.7634 12.7634 12.7694 12.7694 13.8511 13.8511 13.8718 13.8718 k = 0.5000 0.2738 0.1032 ( 2708 PWs) bands (ev): 1.0602 1.0602 1.0607 1.0607 3.7370 3.7370 3.7441 3.7441 5.6540 5.6540 5.6611 5.6611 6.2330 6.2330 6.2351 6.2351 8.1984 8.1984 8.2003 8.2003 8.8059 8.8059 8.8268 8.8268 9.2874 9.2874 9.3085 9.3085 10.6073 10.6073 10.6342 10.6342 11.1093 11.1093 11.1225 11.1225 12.7536 12.7536 12.7585 12.7585 13.8567 13.8567 13.8778 13.8778 k = 0.5000 0.2738 0.1117 ( 2716 PWs) bands (ev): 1.0704 1.0704 1.0708 1.0708 3.7437 3.7437 3.7506 3.7506 5.5909 5.5909 5.5974 5.5974 6.2024 6.2024 6.2039 6.2039 8.2164 8.2164 8.2179 8.2179 8.8448 8.8448 8.8654 8.8654 9.3346 9.3346 9.3534 9.3534 10.6329 10.6329 10.6558 10.6558 11.1330 11.1330 11.1419 11.1419 12.7429 12.7429 12.7466 12.7466 13.8642 13.8642 13.8857 13.8857 k = 0.5000 0.2738 0.1203 ( 2716 PWs) bands (ev): 1.0808 1.0808 1.0812 1.0812 3.7506 3.7506 3.7572 3.7572 5.5300 5.5300 5.5360 5.5360 6.1713 6.1713 6.1723 6.1723 8.2336 8.2336 8.2348 8.2348 8.8742 8.8742 8.8940 8.8940 9.3919 9.3919 9.4090 9.4090 10.6567 10.6567 10.6755 10.6755 11.1588 11.1588 11.1634 11.1634 12.7311 12.7311 12.7337 12.7337 13.8741 13.8741 13.8958 13.8958 k = 0.5000 0.2738 0.1289 ( 2728 PWs) bands (ev): 1.0913 1.0913 1.0918 1.0918 3.7574 3.7574 3.7638 3.7638 5.4719 5.4719 5.4773 5.4773 6.1401 6.1401 6.1407 6.1407 8.2501 8.2501 8.2510 8.2510 8.8944 8.8944 8.9131 8.9131 9.4579 9.4579 9.4736 9.4736 10.6781 10.6781 10.6930 10.6930 11.1862 11.1862 11.1865 11.1865 12.7185 12.7185 12.7199 12.7199 13.8862 13.8862 13.9081 13.9081 k = 0.5000 0.2738 0.1375 ( 2728 PWs) bands (ev): 1.1019 1.1019 1.1023 1.1023 3.7641 3.7641 3.7702 3.7702 5.4169 5.4169 5.4217 5.4217 6.1093 6.1093 6.1096 6.1096 8.2661 8.2661 8.2668 8.2668 8.9071 8.9071 8.9245 8.9245 9.5301 9.5301 9.5448 9.5448 10.6968 10.6968 10.7081 10.7081 11.2111 11.2111 11.2149 11.2149 12.7049 12.7049 12.7053 12.7053 13.9007 13.9007 13.9227 13.9227 k = 0.5000 0.2738 0.1461 ( 2720 PWs) bands (ev): 1.1123 1.1123 1.1127 1.1127 3.7707 3.7707 3.7764 3.7764 5.3653 5.3653 5.3697 5.3697 6.0793 6.0793 6.0793 6.0793 8.2817 8.2817 8.2821 8.2821 8.9140 8.9140 8.9299 8.9299 9.6062 9.6062 9.6200 9.6200 10.7126 10.7126 10.7206 10.7206 11.2368 11.2368 11.2442 11.2442 12.6898 12.6898 12.6908 12.6908 13.9175 13.9175 13.9394 13.9394 k = 0.5000 0.2738 0.1547 ( 2720 PWs) bands (ev): 1.1225 1.1225 1.1228 1.1228 3.7769 3.7769 3.7822 3.7822 5.3175 5.3175 5.3214 5.3214 6.0503 6.0503 6.0504 6.0504 8.2966 8.2966 8.2970 8.2970 8.9165 8.9165 8.9308 8.9308 9.6839 9.6839 9.6969 9.6969 10.7251 10.7251 10.7303 10.7303 11.2630 11.2630 11.2734 11.2734 12.6739 12.6739 12.6758 12.6758 13.9364 13.9364 13.9580 13.9580 k = 0.5000 0.2738 0.1633 ( 2720 PWs) bands (ev): 1.1322 1.1322 1.1325 1.1325 3.7828 3.7828 3.7877 3.7877 5.2737 5.2737 5.2771 5.2771 6.0228 6.0228 6.0231 6.0231 8.3110 8.3110 8.3112 8.3112 8.9158 8.9158 8.9286 8.9286 9.7613 9.7613 9.7735 9.7735 10.7344 10.7344 10.7374 10.7374 11.2891 11.2891 11.3019 11.3019 12.6577 12.6577 12.6605 12.6605 13.9570 13.9570 13.9781 13.9781 k = 0.5000 0.2738 0.1719 ( 2716 PWs) bands (ev): 1.1413 1.1413 1.1416 1.1416 3.7882 3.7882 3.7927 3.7927 5.2340 5.2340 5.2370 5.2370 5.9973 5.9973 5.9977 5.9977 8.3246 8.3246 8.3248 8.3248 8.9131 8.9131 8.9243 8.9243 9.8367 9.8367 9.8482 9.8482 10.7407 10.7407 10.7420 10.7420 11.3146 11.3146 11.3290 11.3290 12.6415 12.6415 12.6449 12.6449 13.9789 13.9789 13.9991 13.9991 k = 0.5000 0.2738 0.1805 ( 2712 PWs) bands (ev): 1.1498 1.1498 1.1500 1.1500 3.7932 3.7932 3.7971 3.7971 5.1987 5.1987 5.2013 5.2013 5.9740 5.9740 5.9745 5.9745 8.3373 8.3373 8.3375 8.3375 8.9090 8.9090 8.9187 8.9187 9.9087 9.9087 9.9193 9.9193 10.7439 10.7439 10.7441 10.7441 11.3389 11.3389 11.3542 11.3542 12.6256 12.6256 12.6296 12.6296 14.0015 14.0015 14.0204 14.0204 k = 0.5000 0.2738 0.1891 ( 2712 PWs) bands (ev): 1.1574 1.1574 1.1576 1.1576 3.7975 3.7975 3.8010 3.8010 5.1680 5.1680 5.1702 5.1702 5.9532 5.9532 5.9537 5.9537 8.3489 8.3489 8.3491 8.3491 8.9042 8.9042 8.9124 8.9124 9.9759 9.9759 9.9854 9.9854 10.7438 10.7438 10.7446 10.7446 11.3616 11.3616 11.3768 11.3768 12.6105 12.6105 12.6147 12.6147 14.0240 14.0240 14.0412 14.0412 k = 0.5000 0.2738 0.1977 ( 2712 PWs) bands (ev): 1.1641 1.1641 1.1642 1.1642 3.8013 3.8013 3.8043 3.8043 5.1418 5.1418 5.1436 5.1436 5.9351 5.9351 5.9356 5.9356 8.3593 8.3593 8.3595 8.3595 8.8992 8.8992 8.9060 8.9060 10.0368 10.0368 10.0452 10.0452 10.7418 10.7418 10.7429 10.7429 11.3822 11.3822 11.3964 11.3964 12.5967 12.5967 12.6008 12.6008 14.0454 14.0454 14.0607 14.0607 k = 0.5000 0.2738 0.2063 ( 2712 PWs) bands (ev): 1.1697 1.1697 1.1698 1.1698 3.8045 3.8045 3.8069 3.8069 5.1204 5.1204 5.1218 5.1218 5.9201 5.9201 5.9205 5.9205 8.3682 8.3682 8.3685 8.3685 8.8945 8.8945 8.9000 8.9000 10.0901 10.0901 10.0971 10.0971 10.7384 10.7384 10.7395 10.7395 11.4001 11.4001 11.4127 11.4127 12.5847 12.5847 12.5884 12.5884 14.0650 14.0650 14.0778 14.0778 k = 0.5000 0.2738 0.2149 ( 2716 PWs) bands (ev): 1.1742 1.1742 1.1743 1.1743 3.8071 3.8071 3.8089 3.8089 5.1038 5.1038 5.1048 5.1048 5.9082 5.9082 5.9085 5.9085 8.3754 8.3754 8.3756 8.3756 8.8906 8.8906 8.8946 8.8946 10.1341 10.1341 10.1396 10.1396 10.7342 10.7342 10.7353 10.7353 11.4150 11.4150 11.4252 11.4252 12.5748 12.5748 12.5780 12.5780 14.0818 14.0818 14.0918 14.0918 k = 0.5000 0.2738 0.2235 ( 2720 PWs) bands (ev): 1.1774 1.1774 1.1775 1.1775 3.8090 3.8090 3.8102 3.8102 5.0919 5.0919 5.0926 5.0926 5.8996 5.8996 5.8998 5.8998 8.3807 8.3807 8.3809 8.3809 8.8877 8.8877 8.8904 8.8904 10.1674 10.1674 10.1712 10.1712 10.7303 10.7303 10.7311 10.7311 11.4265 11.4265 11.4336 11.4336 12.5677 12.5677 12.5699 12.5699 14.0951 14.0951 14.1019 14.1019 k = 0.5000 0.2738 0.2321 ( 2708 PWs) bands (ev): 1.1794 1.1794 1.1795 1.1795 3.8102 3.8102 3.8109 3.8109 5.0848 5.0848 5.0852 5.0852 5.8944 5.8944 5.8946 5.8946 8.3840 8.3840 8.3842 8.3842 8.8862 8.8862 8.8876 8.8876 10.1885 10.1885 10.1905 10.1905 10.7276 10.7276 10.7281 10.7281 11.4344 11.4344 11.4381 11.4381 12.5635 12.5635 12.5647 12.5647 14.1040 14.1040 14.1075 14.1075 k = 0.5000 0.2738 0.2407 ( 2712 PWs) bands (ev): 1.1801 1.1801 1.1801 1.1801 3.8109 3.8109 3.8109 3.8109 5.0826 5.0826 5.0826 5.0826 5.8927 5.8927 5.8928 5.8928 8.3851 8.3851 8.3853 8.3853 8.8860 8.8860 8.8862 8.8862 10.1962 10.1962 10.1964 10.1964 10.7266 10.7266 10.7269 10.7269 11.4382 11.4382 11.4383 11.4383 12.5622 12.5622 12.5626 12.5626 14.1082 14.1082 14.1083 14.1083 Writing output data file FeP2.save init_run : 0.32s CPU 0.46s WALL ( 1 calls) electrons : 352.55s CPU 354.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 352.55s CPU 354.87s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 484 calls) cegterg : 331.90s CPU 333.94s WALL ( 1133 calls) Called by sum_band: Called by *egterg: h_psi : 204.46s CPU 212.49s WALL ( 19231 calls) s_psi : 15.20s CPU 15.80s WALL ( 19231 calls) g_psi : 0.53s CPU 0.57s WALL ( 17614 calls) cdiaghg : 95.87s CPU 94.44s WALL ( 18098 calls) cegterg:over : 10.62s CPU 10.77s WALL ( 17614 calls) cegterg:upda : 3.91s CPU 4.64s WALL ( 17614 calls) cegterg:last : 2.23s CPU 3.18s WALL ( 3241 calls) Called by h_psi: h_psi:vloc : 189.97s CPU 193.29s WALL ( 19231 calls) h_psi:vnl : 14.39s CPU 18.93s WALL ( 19231 calls) add_vuspsi : 6.38s CPU 10.32s WALL ( 19231 calls) General routines calbec : 7.99s CPU 8.56s WALL ( 19231 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 187.98s CPU 186.89s WALL ( 1782592 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.13s WALL ( 968 calls) Parallel routines fft_scatter : 170.16s CPU 127.99s WALL ( 1782615 calls) PWSCF : 6m16.32s CPU 6m23.26s WALL This run was terminated on: 16:21:45 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=