Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:23:26 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: ./GeO2.save/ 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 33 19 6 1047 457 80 Max 34 20 7 1052 474 85 Sum 1083 629 199 33621 14887 2617 bravais-lattice index = 14 lattice parameter (alat) = 5.3081 a.u. unit-cell volume = 341.8644 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.308051 celldm(2)= 1.498736 celldm(3)= 1.525188 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 1.498736 0.000000 ) a(3) = ( 0.000000 0.000000 1.525188 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.667229 -0.000000 ) b(3) = ( 0.000000 0.000000 0.655657 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 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= 536 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0018657 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0018657 k( 4) = ( 0.0267857 -0.0000000 -0.0000000), wk = 0.0018657 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0018657 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0018657 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0018657 k( 8) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0018657 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0018657 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0018657 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0018657 k( 12) = ( 0.0982143 -0.0000000 -0.0000000), wk = 0.0018657 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0018657 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0018657 k( 15) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0018657 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0018657 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0018657 k( 18) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0018657 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0018657 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0018657 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0018657 k( 22) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0018657 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0018657 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0018657 k( 25) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0018657 k( 26) = ( 0.2232143 -0.0000000 -0.0000000), wk = 0.0018657 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0018657 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0018657 k( 29) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0018657 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0018657 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0018657 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0018657 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0018657 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0018657 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0018657 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0018657 k( 37) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0018657 k( 38) = ( 0.3303571 -0.0000000 -0.0000000), wk = 0.0018657 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0018657 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0018657 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0018657 k( 42) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0018657 k( 43) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0018657 k( 44) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0018657 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0018657 k( 46) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0018657 k( 47) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0018657 k( 48) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0018657 k( 49) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0018657 k( 50) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0018657 k( 51) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0018657 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0018657 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0018657 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0018657 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0018657 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0018657 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018657 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018657 k( 59) = ( 0.5000000 0.0087793 -0.0000000), wk = 0.0018657 k( 60) = ( 0.5000000 0.0175587 -0.0000000), wk = 0.0018657 k( 61) = ( 0.5000000 0.0263380 -0.0000000), wk = 0.0018657 k( 62) = ( 0.5000000 0.0351173 -0.0000000), wk = 0.0018657 k( 63) = ( 0.5000000 0.0438966 -0.0000000), wk = 0.0018657 k( 64) = ( 0.5000000 0.0526760 -0.0000000), wk = 0.0018657 k( 65) = ( 0.5000000 0.0614553 -0.0000000), wk = 0.0018657 k( 66) = ( 0.5000000 0.0702346 -0.0000000), wk = 0.0018657 k( 67) = ( 0.5000000 0.0790139 -0.0000000), wk = 0.0018657 k( 68) = ( 0.5000000 0.0877933 -0.0000000), wk = 0.0018657 k( 69) = ( 0.5000000 0.0965726 -0.0000000), wk = 0.0018657 k( 70) = ( 0.5000000 0.1053519 -0.0000000), wk = 0.0018657 k( 71) = ( 0.5000000 0.1141312 -0.0000000), wk = 0.0018657 k( 72) = ( 0.5000000 0.1229106 -0.0000000), wk = 0.0018657 k( 73) = ( 0.5000000 0.1316899 -0.0000000), wk = 0.0018657 k( 74) = ( 0.5000000 0.1404692 -0.0000000), wk = 0.0018657 k( 75) = ( 0.5000000 0.1492486 -0.0000000), wk = 0.0018657 k( 76) = ( 0.5000000 0.1580279 -0.0000000), wk = 0.0018657 k( 77) = ( 0.5000000 0.1668072 -0.0000000), wk = 0.0018657 k( 78) = ( 0.5000000 0.1755865 -0.0000000), wk = 0.0018657 k( 79) = ( 0.5000000 0.1843659 -0.0000000), wk = 0.0018657 k( 80) = ( 0.5000000 0.1931452 -0.0000000), wk = 0.0018657 k( 81) = ( 0.5000000 0.2019245 -0.0000000), wk = 0.0018657 k( 82) = ( 0.5000000 0.2107038 -0.0000000), wk = 0.0018657 k( 83) = ( 0.5000000 0.2194832 -0.0000000), wk = 0.0018657 k( 84) = ( 0.5000000 0.2282625 -0.0000000), wk = 0.0018657 k( 85) = ( 0.5000000 0.2370418 -0.0000000), wk = 0.0018657 k( 86) = ( 0.5000000 0.2458212 -0.0000000), wk = 0.0018657 k( 87) = ( 0.5000000 0.2546005 -0.0000000), wk = 0.0018657 k( 88) = ( 0.5000000 0.2633798 -0.0000000), wk = 0.0018657 k( 89) = ( 0.5000000 0.2721591 -0.0000000), wk = 0.0018657 k( 90) = ( 0.5000000 0.2809385 -0.0000000), wk = 0.0018657 k( 91) = ( 0.5000000 0.2897178 -0.0000000), wk = 0.0018657 k( 92) = ( 0.5000000 0.2984971 -0.0000000), wk = 0.0018657 k( 93) = ( 0.5000000 0.3072764 -0.0000000), wk = 0.0018657 k( 94) = ( 0.5000000 0.3160558 -0.0000000), wk = 0.0018657 k( 95) = ( 0.5000000 0.3248351 -0.0000000), wk = 0.0018657 k( 96) = ( 0.5000000 0.3336144 -0.0000000), wk = 0.0018657 k( 97) = ( 0.5000000 0.3336144 -0.0000000), wk = 0.0018657 k( 98) = ( 0.4910714 0.3336144 -0.0000000), wk = 0.0018657 k( 99) = ( 0.4821429 0.3336144 -0.0000000), wk = 0.0018657 k( 100) = ( 0.4732143 0.3336144 -0.0000000), wk = 0.0018657 k( 101) = ( 0.4642857 0.3336144 -0.0000000), wk = 0.0018657 k( 102) = ( 0.4553571 0.3336144 -0.0000000), wk = 0.0018657 k( 103) = ( 0.4464286 0.3336144 -0.0000000), wk = 0.0018657 k( 104) = ( 0.4375000 0.3336144 -0.0000000), wk = 0.0018657 k( 105) = ( 0.4285714 0.3336144 -0.0000000), wk = 0.0018657 k( 106) = ( 0.4196429 0.3336144 -0.0000000), wk = 0.0018657 k( 107) = ( 0.4107143 0.3336144 -0.0000000), wk = 0.0018657 k( 108) = ( 0.4017857 0.3336144 -0.0000000), wk = 0.0018657 k( 109) = ( 0.3928571 0.3336144 -0.0000000), wk = 0.0018657 k( 110) = ( 0.3839286 0.3336144 -0.0000000), wk = 0.0018657 k( 111) = ( 0.3750000 0.3336144 -0.0000000), wk = 0.0018657 k( 112) = ( 0.3660714 0.3336144 -0.0000000), wk = 0.0018657 k( 113) = ( 0.3571429 0.3336144 -0.0000000), wk = 0.0018657 k( 114) = ( 0.3482143 0.3336144 -0.0000000), wk = 0.0018657 k( 115) = ( 0.3392857 0.3336144 -0.0000000), wk = 0.0018657 k( 116) = ( 0.3303571 0.3336144 -0.0000000), wk = 0.0018657 k( 117) = ( 0.3214286 0.3336144 -0.0000000), wk = 0.0018657 k( 118) = ( 0.3125000 0.3336144 -0.0000000), wk = 0.0018657 k( 119) = ( 0.3035714 0.3336144 -0.0000000), wk = 0.0018657 k( 120) = ( 0.2946429 0.3336144 -0.0000000), wk = 0.0018657 k( 121) = ( 0.2857143 0.3336144 -0.0000000), wk = 0.0018657 k( 122) = ( 0.2767857 0.3336144 -0.0000000), wk = 0.0018657 k( 123) = ( 0.2678571 0.3336144 -0.0000000), wk = 0.0018657 k( 124) = ( 0.2589286 0.3336144 -0.0000000), wk = 0.0018657 k( 125) = ( 0.2500000 0.3336144 -0.0000000), wk = 0.0018657 k( 126) = ( 0.2410714 0.3336144 -0.0000000), wk = 0.0018657 k( 127) = ( 0.2321429 0.3336144 -0.0000000), wk = 0.0018657 k( 128) = ( 0.2232143 0.3336144 -0.0000000), wk = 0.0018657 k( 129) = ( 0.2142857 0.3336144 -0.0000000), wk = 0.0018657 k( 130) = ( 0.2053571 0.3336144 -0.0000000), wk = 0.0018657 k( 131) = ( 0.1964286 0.3336144 -0.0000000), wk = 0.0018657 k( 132) = ( 0.1875000 0.3336144 -0.0000000), wk = 0.0018657 k( 133) = ( 0.1785714 0.3336144 -0.0000000), wk = 0.0018657 k( 134) = ( 0.1696429 0.3336144 -0.0000000), wk = 0.0018657 k( 135) = ( 0.1607143 0.3336144 -0.0000000), wk = 0.0018657 k( 136) = ( 0.1517857 0.3336144 -0.0000000), wk = 0.0018657 k( 137) = ( 0.1428571 0.3336144 -0.0000000), wk = 0.0018657 k( 138) = ( 0.1339286 0.3336144 -0.0000000), wk = 0.0018657 k( 139) = ( 0.1250000 0.3336144 -0.0000000), wk = 0.0018657 k( 140) = ( 0.1160714 0.3336144 -0.0000000), wk = 0.0018657 k( 141) = ( 0.1071429 0.3336144 -0.0000000), wk = 0.0018657 k( 142) = ( 0.0982143 0.3336144 -0.0000000), wk = 0.0018657 k( 143) = ( 0.0892857 0.3336144 -0.0000000), wk = 0.0018657 k( 144) = ( 0.0803571 0.3336144 -0.0000000), wk = 0.0018657 k( 145) = ( 0.0714286 0.3336144 -0.0000000), wk = 0.0018657 k( 146) = ( 0.0625000 0.3336144 -0.0000000), wk = 0.0018657 k( 147) = ( 0.0535714 0.3336144 -0.0000000), wk = 0.0018657 k( 148) = ( 0.0446429 0.3336144 -0.0000000), wk = 0.0018657 k( 149) = ( 0.0357143 0.3336144 -0.0000000), wk = 0.0018657 k( 150) = ( 0.0267857 0.3336144 -0.0000000), wk = 0.0018657 k( 151) = ( 0.0178571 0.3336144 -0.0000000), wk = 0.0018657 k( 152) = ( 0.0089286 0.3336144 -0.0000000), wk = 0.0018657 k( 153) = ( 0.0000000 0.3336144 -0.0000000), wk = 0.0018657 k( 154) = ( 0.0000000 0.3336144 -0.0000000), wk = 0.0018657 k( 155) = ( 0.0000000 0.3248351 -0.0000000), wk = 0.0018657 k( 156) = ( 0.0000000 0.3160558 -0.0000000), wk = 0.0018657 k( 157) = ( 0.0000000 0.3072764 -0.0000000), wk = 0.0018657 k( 158) = ( 0.0000000 0.2984971 -0.0000000), wk = 0.0018657 k( 159) = ( 0.0000000 0.2897178 -0.0000000), wk = 0.0018657 k( 160) = ( 0.0000000 0.2809385 -0.0000000), wk = 0.0018657 k( 161) = ( 0.0000000 0.2721591 -0.0000000), wk = 0.0018657 k( 162) = ( 0.0000000 0.2633798 -0.0000000), wk = 0.0018657 k( 163) = ( 0.0000000 0.2546005 -0.0000000), wk = 0.0018657 k( 164) = ( 0.0000000 0.2458212 -0.0000000), wk = 0.0018657 k( 165) = ( 0.0000000 0.2370418 -0.0000000), wk = 0.0018657 k( 166) = ( 0.0000000 0.2282625 -0.0000000), wk = 0.0018657 k( 167) = ( 0.0000000 0.2194832 -0.0000000), wk = 0.0018657 k( 168) = ( 0.0000000 0.2107038 -0.0000000), wk = 0.0018657 k( 169) = ( 0.0000000 0.2019245 -0.0000000), wk = 0.0018657 k( 170) = ( 0.0000000 0.1931452 -0.0000000), wk = 0.0018657 k( 171) = ( 0.0000000 0.1843659 -0.0000000), wk = 0.0018657 k( 172) = ( 0.0000000 0.1755865 -0.0000000), wk = 0.0018657 k( 173) = ( 0.0000000 0.1668072 -0.0000000), wk = 0.0018657 k( 174) = ( 0.0000000 0.1580279 -0.0000000), wk = 0.0018657 k( 175) = ( 0.0000000 0.1492486 -0.0000000), wk = 0.0018657 k( 176) = ( 0.0000000 0.1404692 -0.0000000), wk = 0.0018657 k( 177) = ( 0.0000000 0.1316899 -0.0000000), wk = 0.0018657 k( 178) = ( 0.0000000 0.1229106 -0.0000000), wk = 0.0018657 k( 179) = ( 0.0000000 0.1141312 -0.0000000), wk = 0.0018657 k( 180) = ( 0.0000000 0.1053519 -0.0000000), wk = 0.0018657 k( 181) = ( 0.0000000 0.0965726 -0.0000000), wk = 0.0018657 k( 182) = ( 0.0000000 0.0877933 -0.0000000), wk = 0.0018657 k( 183) = ( 0.0000000 0.0790139 -0.0000000), wk = 0.0018657 k( 184) = ( 0.0000000 0.0702346 -0.0000000), wk = 0.0018657 k( 185) = ( 0.0000000 0.0614553 -0.0000000), wk = 0.0018657 k( 186) = ( 0.0000000 0.0526760 -0.0000000), wk = 0.0018657 k( 187) = ( 0.0000000 0.0438966 -0.0000000), wk = 0.0018657 k( 188) = ( 0.0000000 0.0351173 -0.0000000), wk = 0.0018657 k( 189) = ( 0.0000000 0.0263380 -0.0000000), wk = 0.0018657 k( 190) = ( 0.0000000 0.0175587 -0.0000000), wk = 0.0018657 k( 191) = ( 0.0000000 0.0087793 -0.0000000), wk = 0.0018657 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 194) = ( 0.0000000 0.0000000 0.0088602), wk = 0.0018657 k( 195) = ( 0.0000000 0.0000000 0.0177205), wk = 0.0018657 k( 196) = ( 0.0000000 0.0000000 0.0265807), wk = 0.0018657 k( 197) = ( 0.0000000 0.0000000 0.0354409), wk = 0.0018657 k( 198) = ( 0.0000000 0.0000000 0.0443011), wk = 0.0018657 k( 199) = ( 0.0000000 0.0000000 0.0531614), wk = 0.0018657 k( 200) = ( 0.0000000 0.0000000 0.0620216), wk = 0.0018657 k( 201) = ( 0.0000000 0.0000000 0.0708818), wk = 0.0018657 k( 202) = ( 0.0000000 0.0000000 0.0797421), wk = 0.0018657 k( 203) = ( 0.0000000 0.0000000 0.0886023), wk = 0.0018657 k( 204) = ( 0.0000000 0.0000000 0.0974625), wk = 0.0018657 k( 205) = ( 0.0000000 0.0000000 0.1063227), wk = 0.0018657 k( 206) = ( 0.0000000 0.0000000 0.1151830), wk = 0.0018657 k( 207) = ( 0.0000000 0.0000000 0.1240432), wk = 0.0018657 k( 208) = ( 0.0000000 0.0000000 0.1329034), wk = 0.0018657 k( 209) = ( 0.0000000 0.0000000 0.1417637), wk = 0.0018657 k( 210) = ( 0.0000000 0.0000000 0.1506239), wk = 0.0018657 k( 211) = ( 0.0000000 0.0000000 0.1594841), wk = 0.0018657 k( 212) = ( 0.0000000 0.0000000 0.1683444), wk = 0.0018657 k( 213) = ( 0.0000000 0.0000000 0.1772046), wk = 0.0018657 k( 214) = ( 0.0000000 0.0000000 0.1860648), wk = 0.0018657 k( 215) = ( 0.0000000 0.0000000 0.1949250), wk = 0.0018657 k( 216) = ( 0.0000000 0.0000000 0.2037853), wk = 0.0018657 k( 217) = ( 0.0000000 0.0000000 0.2126455), wk = 0.0018657 k( 218) = ( 0.0000000 0.0000000 0.2215057), wk = 0.0018657 k( 219) = ( 0.0000000 0.0000000 0.2303660), wk = 0.0018657 k( 220) = ( 0.0000000 0.0000000 0.2392262), wk = 0.0018657 k( 221) = ( 0.0000000 0.0000000 0.2480864), wk = 0.0018657 k( 222) = ( 0.0000000 0.0000000 0.2569466), wk = 0.0018657 k( 223) = ( 0.0000000 0.0000000 0.2658069), wk = 0.0018657 k( 224) = ( 0.0000000 0.0000000 0.2746671), wk = 0.0018657 k( 225) = ( 0.0000000 0.0000000 0.2835273), wk = 0.0018657 k( 226) = ( 0.0000000 0.0000000 0.2923876), wk = 0.0018657 k( 227) = ( 0.0000000 0.0000000 0.3012478), wk = 0.0018657 k( 228) = ( 0.0000000 0.0000000 0.3101080), wk = 0.0018657 k( 229) = ( 0.0000000 0.0000000 0.3189683), wk = 0.0018657 k( 230) = ( 0.0000000 0.0000000 0.3278285), wk = 0.0018657 k( 231) = ( 0.0000000 0.0000000 0.3278285), wk = 0.0018657 k( 232) = ( 0.0089286 -0.0000000 0.3278285), wk = 0.0018657 k( 233) = ( 0.0178571 -0.0000000 0.3278285), wk = 0.0018657 k( 234) = ( 0.0267857 -0.0000000 0.3278285), wk = 0.0018657 k( 235) = ( 0.0357143 -0.0000000 0.3278285), wk = 0.0018657 k( 236) = ( 0.0446429 -0.0000000 0.3278285), wk = 0.0018657 k( 237) = ( 0.0535714 -0.0000000 0.3278285), wk = 0.0018657 k( 238) = ( 0.0625000 -0.0000000 0.3278285), wk = 0.0018657 k( 239) = ( 0.0714286 -0.0000000 0.3278285), wk = 0.0018657 k( 240) = ( 0.0803571 -0.0000000 0.3278285), wk = 0.0018657 k( 241) = ( 0.0892857 -0.0000000 0.3278285), wk = 0.0018657 k( 242) = ( 0.0982143 -0.0000000 0.3278285), wk = 0.0018657 k( 243) = ( 0.1071429 -0.0000000 0.3278285), wk = 0.0018657 k( 244) = ( 0.1160714 -0.0000000 0.3278285), wk = 0.0018657 k( 245) = ( 0.1250000 -0.0000000 0.3278285), wk = 0.0018657 k( 246) = ( 0.1339286 -0.0000000 0.3278285), wk = 0.0018657 k( 247) = ( 0.1428571 -0.0000000 0.3278285), wk = 0.0018657 k( 248) = ( 0.1517857 -0.0000000 0.3278285), wk = 0.0018657 k( 249) = ( 0.1607143 -0.0000000 0.3278285), wk = 0.0018657 k( 250) = ( 0.1696429 -0.0000000 0.3278285), wk = 0.0018657 k( 251) = ( 0.1785714 -0.0000000 0.3278285), wk = 0.0018657 k( 252) = ( 0.1875000 -0.0000000 0.3278285), wk = 0.0018657 k( 253) = ( 0.1964286 -0.0000000 0.3278285), wk = 0.0018657 k( 254) = ( 0.2053571 -0.0000000 0.3278285), wk = 0.0018657 k( 255) = ( 0.2142857 -0.0000000 0.3278285), wk = 0.0018657 k( 256) = ( 0.2232143 -0.0000000 0.3278285), wk = 0.0018657 k( 257) = ( 0.2321429 -0.0000000 0.3278285), wk = 0.0018657 k( 258) = ( 0.2410714 -0.0000000 0.3278285), wk = 0.0018657 k( 259) = ( 0.2500000 -0.0000000 0.3278285), wk = 0.0018657 k( 260) = ( 0.2589286 -0.0000000 0.3278285), wk = 0.0018657 k( 261) = ( 0.2678571 -0.0000000 0.3278285), wk = 0.0018657 k( 262) = ( 0.2767857 -0.0000000 0.3278285), wk = 0.0018657 k( 263) = ( 0.2857143 -0.0000000 0.3278285), wk = 0.0018657 k( 264) = ( 0.2946429 -0.0000000 0.3278285), wk = 0.0018657 k( 265) = ( 0.3035714 -0.0000000 0.3278285), wk = 0.0018657 k( 266) = ( 0.3125000 -0.0000000 0.3278285), wk = 0.0018657 k( 267) = ( 0.3214286 -0.0000000 0.3278285), wk = 0.0018657 k( 268) = ( 0.3303571 -0.0000000 0.3278285), wk = 0.0018657 k( 269) = ( 0.3392857 -0.0000000 0.3278285), wk = 0.0018657 k( 270) = ( 0.3482143 -0.0000000 0.3278285), wk = 0.0018657 k( 271) = ( 0.3571429 -0.0000000 0.3278285), wk = 0.0018657 k( 272) = ( 0.3660714 -0.0000000 0.3278285), wk = 0.0018657 k( 273) = ( 0.3750000 -0.0000000 0.3278285), wk = 0.0018657 k( 274) = ( 0.3839286 -0.0000000 0.3278285), wk = 0.0018657 k( 275) = ( 0.3928571 -0.0000000 0.3278285), wk = 0.0018657 k( 276) = ( 0.4017857 -0.0000000 0.3278285), wk = 0.0018657 k( 277) = ( 0.4107143 -0.0000000 0.3278285), wk = 0.0018657 k( 278) = ( 0.4196429 -0.0000000 0.3278285), wk = 0.0018657 k( 279) = ( 0.4285714 -0.0000000 0.3278285), wk = 0.0018657 k( 280) = ( 0.4375000 -0.0000000 0.3278285), wk = 0.0018657 k( 281) = ( 0.4464286 -0.0000000 0.3278285), wk = 0.0018657 k( 282) = ( 0.4553571 -0.0000000 0.3278285), wk = 0.0018657 k( 283) = ( 0.4642857 -0.0000000 0.3278285), wk = 0.0018657 k( 284) = ( 0.4732143 -0.0000000 0.3278285), wk = 0.0018657 k( 285) = ( 0.4821429 -0.0000000 0.3278285), wk = 0.0018657 k( 286) = ( 0.4910714 -0.0000000 0.3278285), wk = 0.0018657 k( 287) = ( 0.5000000 -0.0000000 0.3278285), wk = 0.0018657 k( 288) = ( 0.5000000 -0.0000000 0.3278285), wk = 0.0018657 k( 289) = ( 0.5000000 0.0087793 0.3278285), wk = 0.0018657 k( 290) = ( 0.5000000 0.0175587 0.3278285), wk = 0.0018657 k( 291) = ( 0.5000000 0.0263380 0.3278285), wk = 0.0018657 k( 292) = ( 0.5000000 0.0351173 0.3278285), wk = 0.0018657 k( 293) = ( 0.5000000 0.0438966 0.3278285), wk = 0.0018657 k( 294) = ( 0.5000000 0.0526760 0.3278285), wk = 0.0018657 k( 295) = ( 0.5000000 0.0614553 0.3278285), wk = 0.0018657 k( 296) = ( 0.5000000 0.0702346 0.3278285), wk = 0.0018657 k( 297) = ( 0.5000000 0.0790139 0.3278285), wk = 0.0018657 k( 298) = ( 0.5000000 0.0877933 0.3278285), wk = 0.0018657 k( 299) = ( 0.5000000 0.0965726 0.3278285), wk = 0.0018657 k( 300) = ( 0.5000000 0.1053519 0.3278285), wk = 0.0018657 k( 301) = ( 0.5000000 0.1141312 0.3278285), wk = 0.0018657 k( 302) = ( 0.5000000 0.1229106 0.3278285), wk = 0.0018657 k( 303) = ( 0.5000000 0.1316899 0.3278285), wk = 0.0018657 k( 304) = ( 0.5000000 0.1404692 0.3278285), wk = 0.0018657 k( 305) = ( 0.5000000 0.1492486 0.3278285), wk = 0.0018657 k( 306) = ( 0.5000000 0.1580279 0.3278285), wk = 0.0018657 k( 307) = ( 0.5000000 0.1668072 0.3278285), wk = 0.0018657 k( 308) = ( 0.5000000 0.1755865 0.3278285), wk = 0.0018657 k( 309) = ( 0.5000000 0.1843659 0.3278285), wk = 0.0018657 k( 310) = ( 0.5000000 0.1931452 0.3278285), wk = 0.0018657 k( 311) = ( 0.5000000 0.2019245 0.3278285), wk = 0.0018657 k( 312) = ( 0.5000000 0.2107038 0.3278285), wk = 0.0018657 k( 313) = ( 0.5000000 0.2194832 0.3278285), wk = 0.0018657 k( 314) = ( 0.5000000 0.2282625 0.3278285), wk = 0.0018657 k( 315) = ( 0.5000000 0.2370418 0.3278285), wk = 0.0018657 k( 316) = ( 0.5000000 0.2458212 0.3278285), wk = 0.0018657 k( 317) = ( 0.5000000 0.2546005 0.3278285), wk = 0.0018657 k( 318) = ( 0.5000000 0.2633798 0.3278285), wk = 0.0018657 k( 319) = ( 0.5000000 0.2721591 0.3278285), wk = 0.0018657 k( 320) = ( 0.5000000 0.2809385 0.3278285), wk = 0.0018657 k( 321) = ( 0.5000000 0.2897178 0.3278285), wk = 0.0018657 k( 322) = ( 0.5000000 0.2984971 0.3278285), wk = 0.0018657 k( 323) = ( 0.5000000 0.3072764 0.3278285), wk = 0.0018657 k( 324) = ( 0.5000000 0.3160558 0.3278285), wk = 0.0018657 k( 325) = ( 0.5000000 0.3248351 0.3278285), wk = 0.0018657 k( 326) = ( 0.5000000 0.3336144 0.3278285), wk = 0.0018657 k( 327) = ( 0.5000000 0.3336144 0.3278285), wk = 0.0018657 k( 328) = ( 0.4910714 0.3336144 0.3278285), wk = 0.0018657 k( 329) = ( 0.4821429 0.3336144 0.3278285), wk = 0.0018657 k( 330) = ( 0.4732143 0.3336144 0.3278285), wk = 0.0018657 k( 331) = ( 0.4642857 0.3336144 0.3278285), wk = 0.0018657 k( 332) = ( 0.4553571 0.3336144 0.3278285), wk = 0.0018657 k( 333) = ( 0.4464286 0.3336144 0.3278285), wk = 0.0018657 k( 334) = ( 0.4375000 0.3336144 0.3278285), wk = 0.0018657 k( 335) = ( 0.4285714 0.3336144 0.3278285), wk = 0.0018657 k( 336) = ( 0.4196429 0.3336144 0.3278285), wk = 0.0018657 k( 337) = ( 0.4107143 0.3336144 0.3278285), wk = 0.0018657 k( 338) = ( 0.4017857 0.3336144 0.3278285), wk = 0.0018657 k( 339) = ( 0.3928571 0.3336144 0.3278285), wk = 0.0018657 k( 340) = ( 0.3839286 0.3336144 0.3278285), wk = 0.0018657 k( 341) = ( 0.3750000 0.3336144 0.3278285), wk = 0.0018657 k( 342) = ( 0.3660714 0.3336144 0.3278285), wk = 0.0018657 k( 343) = ( 0.3571429 0.3336144 0.3278285), wk = 0.0018657 k( 344) = ( 0.3482143 0.3336144 0.3278285), wk = 0.0018657 k( 345) = ( 0.3392857 0.3336144 0.3278285), wk = 0.0018657 k( 346) = ( 0.3303571 0.3336144 0.3278285), wk = 0.0018657 k( 347) = ( 0.3214286 0.3336144 0.3278285), wk = 0.0018657 k( 348) = ( 0.3125000 0.3336144 0.3278285), wk = 0.0018657 k( 349) = ( 0.3035714 0.3336144 0.3278285), wk = 0.0018657 k( 350) = ( 0.2946429 0.3336144 0.3278285), wk = 0.0018657 k( 351) = ( 0.2857143 0.3336144 0.3278285), wk = 0.0018657 k( 352) = ( 0.2767857 0.3336144 0.3278285), wk = 0.0018657 k( 353) = ( 0.2678571 0.3336144 0.3278285), wk = 0.0018657 k( 354) = ( 0.2589286 0.3336144 0.3278285), wk = 0.0018657 k( 355) = ( 0.2500000 0.3336144 0.3278285), wk = 0.0018657 k( 356) = ( 0.2410714 0.3336144 0.3278285), wk = 0.0018657 k( 357) = ( 0.2321429 0.3336144 0.3278285), wk = 0.0018657 k( 358) = ( 0.2232143 0.3336144 0.3278285), wk = 0.0018657 k( 359) = ( 0.2142857 0.3336144 0.3278285), wk = 0.0018657 k( 360) = ( 0.2053571 0.3336144 0.3278285), wk = 0.0018657 k( 361) = ( 0.1964286 0.3336144 0.3278285), wk = 0.0018657 k( 362) = ( 0.1875000 0.3336144 0.3278285), wk = 0.0018657 k( 363) = ( 0.1785714 0.3336144 0.3278285), wk = 0.0018657 k( 364) = ( 0.1696429 0.3336144 0.3278285), wk = 0.0018657 k( 365) = ( 0.1607143 0.3336144 0.3278285), wk = 0.0018657 k( 366) = ( 0.1517857 0.3336144 0.3278285), wk = 0.0018657 k( 367) = ( 0.1428571 0.3336144 0.3278285), wk = 0.0018657 k( 368) = ( 0.1339286 0.3336144 0.3278285), wk = 0.0018657 k( 369) = ( 0.1250000 0.3336144 0.3278285), wk = 0.0018657 k( 370) = ( 0.1160714 0.3336144 0.3278285), wk = 0.0018657 k( 371) = ( 0.1071429 0.3336144 0.3278285), wk = 0.0018657 k( 372) = ( 0.0982143 0.3336144 0.3278285), wk = 0.0018657 k( 373) = ( 0.0892857 0.3336144 0.3278285), wk = 0.0018657 k( 374) = ( 0.0803571 0.3336144 0.3278285), wk = 0.0018657 k( 375) = ( 0.0714286 0.3336144 0.3278285), wk = 0.0018657 k( 376) = ( 0.0625000 0.3336144 0.3278285), wk = 0.0018657 k( 377) = ( 0.0535714 0.3336144 0.3278285), wk = 0.0018657 k( 378) = ( 0.0446429 0.3336144 0.3278285), wk = 0.0018657 k( 379) = ( 0.0357143 0.3336144 0.3278285), wk = 0.0018657 k( 380) = ( 0.0267857 0.3336144 0.3278285), wk = 0.0018657 k( 381) = ( 0.0178571 0.3336144 0.3278285), wk = 0.0018657 k( 382) = ( 0.0089286 0.3336144 0.3278285), wk = 0.0018657 k( 383) = ( 0.0000000 0.3336144 0.3278285), wk = 0.0018657 k( 384) = ( 0.0000000 0.3336144 0.3278285), wk = 0.0018657 k( 385) = ( 0.0000000 0.3248351 0.3278285), wk = 0.0018657 k( 386) = ( 0.0000000 0.3160558 0.3278285), wk = 0.0018657 k( 387) = ( 0.0000000 0.3072764 0.3278285), wk = 0.0018657 k( 388) = ( 0.0000000 0.2984971 0.3278285), wk = 0.0018657 k( 389) = ( 0.0000000 0.2897178 0.3278285), wk = 0.0018657 k( 390) = ( 0.0000000 0.2809385 0.3278285), wk = 0.0018657 k( 391) = ( 0.0000000 0.2721591 0.3278285), wk = 0.0018657 k( 392) = ( 0.0000000 0.2633798 0.3278285), wk = 0.0018657 k( 393) = ( 0.0000000 0.2546005 0.3278285), wk = 0.0018657 k( 394) = ( 0.0000000 0.2458212 0.3278285), wk = 0.0018657 k( 395) = ( 0.0000000 0.2370418 0.3278285), wk = 0.0018657 k( 396) = ( 0.0000000 0.2282625 0.3278285), wk = 0.0018657 k( 397) = ( 0.0000000 0.2194832 0.3278285), wk = 0.0018657 k( 398) = ( 0.0000000 0.2107038 0.3278285), wk = 0.0018657 k( 399) = ( 0.0000000 0.2019245 0.3278285), wk = 0.0018657 k( 400) = ( 0.0000000 0.1931452 0.3278285), wk = 0.0018657 k( 401) = ( 0.0000000 0.1843659 0.3278285), wk = 0.0018657 k( 402) = ( 0.0000000 0.1755865 0.3278285), wk = 0.0018657 k( 403) = ( 0.0000000 0.1668072 0.3278285), wk = 0.0018657 k( 404) = ( 0.0000000 0.1580279 0.3278285), wk = 0.0018657 k( 405) = ( 0.0000000 0.1492486 0.3278285), wk = 0.0018657 k( 406) = ( 0.0000000 0.1404692 0.3278285), wk = 0.0018657 k( 407) = ( 0.0000000 0.1316899 0.3278285), wk = 0.0018657 k( 408) = ( 0.0000000 0.1229106 0.3278285), wk = 0.0018657 k( 409) = ( 0.0000000 0.1141312 0.3278285), wk = 0.0018657 k( 410) = ( 0.0000000 0.1053519 0.3278285), wk = 0.0018657 k( 411) = ( 0.0000000 0.0965726 0.3278285), wk = 0.0018657 k( 412) = ( 0.0000000 0.0877933 0.3278285), wk = 0.0018657 k( 413) = ( 0.0000000 0.0790139 0.3278285), wk = 0.0018657 k( 414) = ( 0.0000000 0.0702346 0.3278285), wk = 0.0018657 k( 415) = ( 0.0000000 0.0614553 0.3278285), wk = 0.0018657 k( 416) = ( 0.0000000 0.0526760 0.3278285), wk = 0.0018657 k( 417) = ( 0.0000000 0.0438966 0.3278285), wk = 0.0018657 k( 418) = ( 0.0000000 0.0351173 0.3278285), wk = 0.0018657 k( 419) = ( 0.0000000 0.0263380 0.3278285), wk = 0.0018657 k( 420) = ( 0.0000000 0.0175587 0.3278285), wk = 0.0018657 k( 421) = ( 0.0000000 0.0087793 0.3278285), wk = 0.0018657 k( 422) = ( 0.0000000 0.0000000 0.3278285), wk = 0.0018657 k( 423) = ( 0.0000000 0.3336144 -0.0000000), wk = 0.0018657 k( 424) = ( 0.0000000 0.3336144 0.0088602), wk = 0.0018657 k( 425) = ( 0.0000000 0.3336144 0.0177205), wk = 0.0018657 k( 426) = ( 0.0000000 0.3336144 0.0265807), wk = 0.0018657 k( 427) = ( 0.0000000 0.3336144 0.0354409), wk = 0.0018657 k( 428) = ( 0.0000000 0.3336144 0.0443011), wk = 0.0018657 k( 429) = ( 0.0000000 0.3336144 0.0531614), wk = 0.0018657 k( 430) = ( 0.0000000 0.3336144 0.0620216), wk = 0.0018657 k( 431) = ( 0.0000000 0.3336144 0.0708818), wk = 0.0018657 k( 432) = ( 0.0000000 0.3336144 0.0797421), wk = 0.0018657 k( 433) = ( 0.0000000 0.3336144 0.0886023), wk = 0.0018657 k( 434) = ( 0.0000000 0.3336144 0.0974625), wk = 0.0018657 k( 435) = ( 0.0000000 0.3336144 0.1063227), wk = 0.0018657 k( 436) = ( 0.0000000 0.3336144 0.1151830), wk = 0.0018657 k( 437) = ( 0.0000000 0.3336144 0.1240432), wk = 0.0018657 k( 438) = ( 0.0000000 0.3336144 0.1329034), wk = 0.0018657 k( 439) = ( 0.0000000 0.3336144 0.1417637), wk = 0.0018657 k( 440) = ( 0.0000000 0.3336144 0.1506239), wk = 0.0018657 k( 441) = ( 0.0000000 0.3336144 0.1594841), wk = 0.0018657 k( 442) = ( 0.0000000 0.3336144 0.1683444), wk = 0.0018657 k( 443) = ( 0.0000000 0.3336144 0.1772046), wk = 0.0018657 k( 444) = ( 0.0000000 0.3336144 0.1860648), wk = 0.0018657 k( 445) = ( 0.0000000 0.3336144 0.1949250), wk = 0.0018657 k( 446) = ( 0.0000000 0.3336144 0.2037853), wk = 0.0018657 k( 447) = ( 0.0000000 0.3336144 0.2126455), wk = 0.0018657 k( 448) = ( 0.0000000 0.3336144 0.2215057), wk = 0.0018657 k( 449) = ( 0.0000000 0.3336144 0.2303660), wk = 0.0018657 k( 450) = ( 0.0000000 0.3336144 0.2392262), wk = 0.0018657 k( 451) = ( 0.0000000 0.3336144 0.2480864), wk = 0.0018657 k( 452) = ( 0.0000000 0.3336144 0.2569466), wk = 0.0018657 k( 453) = ( 0.0000000 0.3336144 0.2658069), wk = 0.0018657 k( 454) = ( 0.0000000 0.3336144 0.2746671), wk = 0.0018657 k( 455) = ( 0.0000000 0.3336144 0.2835273), wk = 0.0018657 k( 456) = ( 0.0000000 0.3336144 0.2923876), wk = 0.0018657 k( 457) = ( 0.0000000 0.3336144 0.3012478), wk = 0.0018657 k( 458) = ( 0.0000000 0.3336144 0.3101080), wk = 0.0018657 k( 459) = ( 0.0000000 0.3336144 0.3189683), wk = 0.0018657 k( 460) = ( 0.0000000 0.3336144 0.3278285), wk = 0.0018657 k( 461) = ( 0.5000000 -0.0000000 0.3278285), wk = 0.0018657 k( 462) = ( 0.5000000 -0.0000000 0.3189683), wk = 0.0018657 k( 463) = ( 0.5000000 -0.0000000 0.3101080), wk = 0.0018657 k( 464) = ( 0.5000000 -0.0000000 0.3012478), wk = 0.0018657 k( 465) = ( 0.5000000 -0.0000000 0.2923876), wk = 0.0018657 k( 466) = ( 0.5000000 -0.0000000 0.2835273), wk = 0.0018657 k( 467) = ( 0.5000000 -0.0000000 0.2746671), wk = 0.0018657 k( 468) = ( 0.5000000 -0.0000000 0.2658069), wk = 0.0018657 k( 469) = ( 0.5000000 -0.0000000 0.2569466), wk = 0.0018657 k( 470) = ( 0.5000000 -0.0000000 0.2480864), wk = 0.0018657 k( 471) = ( 0.5000000 -0.0000000 0.2392262), wk = 0.0018657 k( 472) = ( 0.5000000 -0.0000000 0.2303660), wk = 0.0018657 k( 473) = ( 0.5000000 -0.0000000 0.2215057), wk = 0.0018657 k( 474) = ( 0.5000000 -0.0000000 0.2126455), wk = 0.0018657 k( 475) = ( 0.5000000 -0.0000000 0.2037853), wk = 0.0018657 k( 476) = ( 0.5000000 -0.0000000 0.1949250), wk = 0.0018657 k( 477) = ( 0.5000000 -0.0000000 0.1860648), wk = 0.0018657 k( 478) = ( 0.5000000 -0.0000000 0.1772046), wk = 0.0018657 k( 479) = ( 0.5000000 -0.0000000 0.1683444), wk = 0.0018657 k( 480) = ( 0.5000000 -0.0000000 0.1594841), wk = 0.0018657 k( 481) = ( 0.5000000 -0.0000000 0.1506239), wk = 0.0018657 k( 482) = ( 0.5000000 -0.0000000 0.1417637), wk = 0.0018657 k( 483) = ( 0.5000000 -0.0000000 0.1329034), wk = 0.0018657 k( 484) = ( 0.5000000 -0.0000000 0.1240432), wk = 0.0018657 k( 485) = ( 0.5000000 -0.0000000 0.1151830), wk = 0.0018657 k( 486) = ( 0.5000000 -0.0000000 0.1063227), wk = 0.0018657 k( 487) = ( 0.5000000 -0.0000000 0.0974625), wk = 0.0018657 k( 488) = ( 0.5000000 -0.0000000 0.0886023), wk = 0.0018657 k( 489) = ( 0.5000000 -0.0000000 0.0797421), wk = 0.0018657 k( 490) = ( 0.5000000 -0.0000000 0.0708818), wk = 0.0018657 k( 491) = ( 0.5000000 -0.0000000 0.0620216), wk = 0.0018657 k( 492) = ( 0.5000000 -0.0000000 0.0531614), wk = 0.0018657 k( 493) = ( 0.5000000 -0.0000000 0.0443011), wk = 0.0018657 k( 494) = ( 0.5000000 -0.0000000 0.0354409), wk = 0.0018657 k( 495) = ( 0.5000000 -0.0000000 0.0265807), wk = 0.0018657 k( 496) = ( 0.5000000 -0.0000000 0.0177205), wk = 0.0018657 k( 497) = ( 0.5000000 -0.0000000 0.0088602), wk = 0.0018657 k( 498) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018657 k( 499) = ( 0.5000000 0.3336144 -0.0000000), wk = 0.0018657 k( 500) = ( 0.5000000 0.3336144 0.0088602), wk = 0.0018657 k( 501) = ( 0.5000000 0.3336144 0.0177205), wk = 0.0018657 k( 502) = ( 0.5000000 0.3336144 0.0265807), wk = 0.0018657 k( 503) = ( 0.5000000 0.3336144 0.0354409), wk = 0.0018657 k( 504) = ( 0.5000000 0.3336144 0.0443011), wk = 0.0018657 k( 505) = ( 0.5000000 0.3336144 0.0531614), wk = 0.0018657 k( 506) = ( 0.5000000 0.3336144 0.0620216), wk = 0.0018657 k( 507) = ( 0.5000000 0.3336144 0.0708818), wk = 0.0018657 k( 508) = ( 0.5000000 0.3336144 0.0797421), wk = 0.0018657 k( 509) = ( 0.5000000 0.3336144 0.0886023), wk = 0.0018657 k( 510) = ( 0.5000000 0.3336144 0.0974625), wk = 0.0018657 k( 511) = ( 0.5000000 0.3336144 0.1063227), wk = 0.0018657 k( 512) = ( 0.5000000 0.3336144 0.1151830), wk = 0.0018657 k( 513) = ( 0.5000000 0.3336144 0.1240432), wk = 0.0018657 k( 514) = ( 0.5000000 0.3336144 0.1329034), wk = 0.0018657 k( 515) = ( 0.5000000 0.3336144 0.1417637), wk = 0.0018657 k( 516) = ( 0.5000000 0.3336144 0.1506239), wk = 0.0018657 k( 517) = ( 0.5000000 0.3336144 0.1594841), wk = 0.0018657 k( 518) = ( 0.5000000 0.3336144 0.1683444), wk = 0.0018657 k( 519) = ( 0.5000000 0.3336144 0.1772046), wk = 0.0018657 k( 520) = ( 0.5000000 0.3336144 0.1860648), wk = 0.0018657 k( 521) = ( 0.5000000 0.3336144 0.1949250), wk = 0.0018657 k( 522) = ( 0.5000000 0.3336144 0.2037853), wk = 0.0018657 k( 523) = ( 0.5000000 0.3336144 0.2126455), wk = 0.0018657 k( 524) = ( 0.5000000 0.3336144 0.2215057), wk = 0.0018657 k( 525) = ( 0.5000000 0.3336144 0.2303660), wk = 0.0018657 k( 526) = ( 0.5000000 0.3336144 0.2392262), wk = 0.0018657 k( 527) = ( 0.5000000 0.3336144 0.2480864), wk = 0.0018657 k( 528) = ( 0.5000000 0.3336144 0.2569466), wk = 0.0018657 k( 529) = ( 0.5000000 0.3336144 0.2658069), wk = 0.0018657 k( 530) = ( 0.5000000 0.3336144 0.2746671), wk = 0.0018657 k( 531) = ( 0.5000000 0.3336144 0.2835273), wk = 0.0018657 k( 532) = ( 0.5000000 0.3336144 0.2923876), wk = 0.0018657 k( 533) = ( 0.5000000 0.3336144 0.3012478), wk = 0.0018657 k( 534) = ( 0.5000000 0.3336144 0.3101080), wk = 0.0018657 k( 535) = ( 0.5000000 0.3336144 0.3189683), wk = 0.0018657 k( 536) = ( 0.5000000 0.3336144 0.3278285), wk = 0.0018657 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0089286 0.0000000 -0.0000000), wk = 0.0018657 k( 3) = ( 0.0178571 0.0000000 -0.0000000), wk = 0.0018657 k( 4) = ( 0.0267857 -0.0000000 -0.0000000), wk = 0.0018657 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0018657 k( 6) = ( 0.0446429 0.0000000 -0.0000000), wk = 0.0018657 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0018657 k( 8) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0018657 k( 9) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0018657 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0018657 k( 11) = ( 0.0892857 0.0000000 -0.0000000), wk = 0.0018657 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0018657 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0018657 k( 14) = ( 0.1160714 0.0000000 -0.0000000), wk = 0.0018657 k( 15) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0018657 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0018657 k( 17) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0018657 k( 18) = ( 0.1517857 0.0000000 -0.0000000), wk = 0.0018657 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0018657 k( 20) = ( 0.1696429 0.0000000 -0.0000000), wk = 0.0018657 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0018657 k( 22) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0018657 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0018657 k( 24) = ( 0.2053571 0.0000000 -0.0000000), wk = 0.0018657 k( 25) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0018657 k( 26) = ( 0.2232143 0.0000000 -0.0000000), wk = 0.0018657 k( 27) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0018657 k( 28) = ( 0.2410714 0.0000000 -0.0000000), wk = 0.0018657 k( 29) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0018657 k( 30) = ( 0.2589286 0.0000000 -0.0000000), wk = 0.0018657 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0018657 k( 32) = ( 0.2767857 0.0000000 -0.0000000), wk = 0.0018657 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0018657 k( 34) = ( 0.2946429 0.0000000 -0.0000000), wk = 0.0018657 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0018657 k( 36) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0018657 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0018657 k( 38) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0018657 k( 39) = ( 0.3392857 0.0000000 -0.0000000), wk = 0.0018657 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0018657 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0018657 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0018657 k( 43) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0018657 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0018657 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0018657 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0018657 k( 47) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0018657 k( 48) = ( 0.4196429 0.0000000 -0.0000000), wk = 0.0018657 k( 49) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0018657 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0018657 k( 51) = ( 0.4464286 0.0000000 -0.0000000), wk = 0.0018657 k( 52) = ( 0.4553571 0.0000000 -0.0000000), wk = 0.0018657 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0018657 k( 54) = ( 0.4732143 0.0000000 -0.0000000), wk = 0.0018657 k( 55) = ( 0.4821429 0.0000000 -0.0000000), wk = 0.0018657 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0018657 k( 57) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018657 k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018657 k( 59) = ( 0.5000000 0.0131579 -0.0000000), wk = 0.0018657 k( 60) = ( 0.5000000 0.0263158 -0.0000000), wk = 0.0018657 k( 61) = ( 0.5000000 0.0394737 0.0000000), wk = 0.0018657 k( 62) = ( 0.5000000 0.0526316 0.0000000), wk = 0.0018657 k( 63) = ( 0.5000000 0.0657895 -0.0000000), wk = 0.0018657 k( 64) = ( 0.5000000 0.0789474 -0.0000000), wk = 0.0018657 k( 65) = ( 0.5000000 0.0921053 -0.0000000), wk = 0.0018657 k( 66) = ( 0.5000000 0.1052632 -0.0000000), wk = 0.0018657 k( 67) = ( 0.5000000 0.1184210 -0.0000000), wk = 0.0018657 k( 68) = ( 0.5000000 0.1315790 -0.0000000), wk = 0.0018657 k( 69) = ( 0.5000000 0.1447368 -0.0000000), wk = 0.0018657 k( 70) = ( 0.5000000 0.1578947 -0.0000000), wk = 0.0018657 k( 71) = ( 0.5000000 0.1710526 0.0000000), wk = 0.0018657 k( 72) = ( 0.5000000 0.1842105 -0.0000000), wk = 0.0018657 k( 73) = ( 0.5000000 0.1973684 -0.0000000), wk = 0.0018657 k( 74) = ( 0.5000000 0.2105263 -0.0000000), wk = 0.0018657 k( 75) = ( 0.5000000 0.2236842 0.0000000), wk = 0.0018657 k( 76) = ( 0.5000000 0.2368421 -0.0000000), wk = 0.0018657 k( 77) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0018657 k( 78) = ( 0.5000000 0.2631579 -0.0000000), wk = 0.0018657 k( 79) = ( 0.5000000 0.2763158 0.0000000), wk = 0.0018657 k( 80) = ( 0.5000000 0.2894737 -0.0000000), wk = 0.0018657 k( 81) = ( 0.5000000 0.3026316 -0.0000000), wk = 0.0018657 k( 82) = ( 0.5000000 0.3157895 -0.0000000), wk = 0.0018657 k( 83) = ( 0.5000000 0.3289474 -0.0000000), wk = 0.0018657 k( 84) = ( 0.5000000 0.3421053 -0.0000000), wk = 0.0018657 k( 85) = ( 0.5000000 0.3552632 -0.0000000), wk = 0.0018657 k( 86) = ( 0.5000000 0.3684210 0.0000000), wk = 0.0018657 k( 87) = ( 0.5000000 0.3815789 0.0000000), wk = 0.0018657 k( 88) = ( 0.5000000 0.3947368 -0.0000000), wk = 0.0018657 k( 89) = ( 0.5000000 0.4078947 -0.0000000), wk = 0.0018657 k( 90) = ( 0.5000000 0.4210526 -0.0000000), wk = 0.0018657 k( 91) = ( 0.5000000 0.4342105 -0.0000000), wk = 0.0018657 k( 92) = ( 0.5000000 0.4473684 0.0000000), wk = 0.0018657 k( 93) = ( 0.5000000 0.4605263 -0.0000000), wk = 0.0018657 k( 94) = ( 0.5000000 0.4736842 0.0000000), wk = 0.0018657 k( 95) = ( 0.5000000 0.4868421 -0.0000000), wk = 0.0018657 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018657 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018657 k( 98) = ( 0.4910714 0.5000000 -0.0000000), wk = 0.0018657 k( 99) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0018657 k( 100) = ( 0.4732143 0.5000000 -0.0000000), wk = 0.0018657 k( 101) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0018657 k( 102) = ( 0.4553571 0.5000000 0.0000000), wk = 0.0018657 k( 103) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0018657 k( 104) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0018657 k( 105) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0018657 k( 106) = ( 0.4196429 0.5000000 -0.0000000), wk = 0.0018657 k( 107) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0018657 k( 108) = ( 0.4017857 0.5000000 0.0000000), wk = 0.0018657 k( 109) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0018657 k( 110) = ( 0.3839286 0.5000000 -0.0000000), wk = 0.0018657 k( 111) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0018657 k( 112) = ( 0.3660714 0.5000000 -0.0000000), wk = 0.0018657 k( 113) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0018657 k( 114) = ( 0.3482143 0.5000000 -0.0000000), wk = 0.0018657 k( 115) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0018657 k( 116) = ( 0.3303571 0.5000000 -0.0000000), wk = 0.0018657 k( 117) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0018657 k( 118) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0018657 k( 119) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0018657 k( 120) = ( 0.2946429 0.5000000 -0.0000000), wk = 0.0018657 k( 121) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0018657 k( 122) = ( 0.2767857 0.5000000 0.0000000), wk = 0.0018657 k( 123) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0018657 k( 124) = ( 0.2589286 0.5000000 -0.0000000), wk = 0.0018657 k( 125) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0018657 k( 126) = ( 0.2410714 0.5000000 0.0000000), wk = 0.0018657 k( 127) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0018657 k( 128) = ( 0.2232143 0.5000000 0.0000000), wk = 0.0018657 k( 129) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0018657 k( 130) = ( 0.2053571 0.5000000 -0.0000000), wk = 0.0018657 k( 131) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0018657 k( 132) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0018657 k( 133) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0018657 k( 134) = ( 0.1696429 0.5000000 0.0000000), wk = 0.0018657 k( 135) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0018657 k( 136) = ( 0.1517857 0.5000000 0.0000000), wk = 0.0018657 k( 137) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0018657 k( 138) = ( 0.1339286 0.5000000 0.0000000), wk = 0.0018657 k( 139) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0018657 k( 140) = ( 0.1160714 0.5000000 0.0000000), wk = 0.0018657 k( 141) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0018657 k( 142) = ( 0.0982143 0.5000000 0.0000000), wk = 0.0018657 k( 143) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0018657 k( 144) = ( 0.0803571 0.5000000 0.0000000), wk = 0.0018657 k( 145) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0018657 k( 146) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0018657 k( 147) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0018657 k( 148) = ( 0.0446429 0.5000000 0.0000000), wk = 0.0018657 k( 149) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0018657 k( 150) = ( 0.0267857 0.5000000 -0.0000000), wk = 0.0018657 k( 151) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0018657 k( 152) = ( 0.0089286 0.5000000 -0.0000000), wk = 0.0018657 k( 153) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018657 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018657 k( 155) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0018657 k( 156) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0018657 k( 157) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0018657 k( 158) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0018657 k( 159) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0018657 k( 160) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0018657 k( 161) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0018657 k( 162) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0018657 k( 163) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0018657 k( 164) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0018657 k( 165) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0018657 k( 166) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0018657 k( 167) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0018657 k( 168) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0018657 k( 169) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0018657 k( 170) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0018657 k( 171) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0018657 k( 172) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0018657 k( 173) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0018657 k( 174) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0018657 k( 175) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0018657 k( 176) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0018657 k( 177) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0018657 k( 178) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0018657 k( 179) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0018657 k( 180) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0018657 k( 181) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0018657 k( 182) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0018657 k( 183) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0018657 k( 184) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0018657 k( 185) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0018657 k( 186) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0018657 k( 187) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0018657 k( 188) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0018657 k( 189) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0018657 k( 190) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0018657 k( 191) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0018657 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 194) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0018657 k( 195) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0018657 k( 196) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0018657 k( 197) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0018657 k( 198) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0018657 k( 199) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0018657 k( 200) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0018657 k( 201) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0018657 k( 202) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0018657 k( 203) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0018657 k( 204) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0018657 k( 205) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0018657 k( 206) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0018657 k( 207) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0018657 k( 208) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0018657 k( 209) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0018657 k( 210) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0018657 k( 211) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0018657 k( 212) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0018657 k( 213) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0018657 k( 214) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0018657 k( 215) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0018657 k( 216) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0018657 k( 217) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0018657 k( 218) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0018657 k( 219) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0018657 k( 220) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0018657 k( 221) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0018657 k( 222) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0018657 k( 223) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0018657 k( 224) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0018657 k( 225) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0018657 k( 226) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0018657 k( 227) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0018657 k( 228) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0018657 k( 229) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0018657 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 232) = ( 0.0089286 0.0000000 0.5000000), wk = 0.0018657 k( 233) = ( 0.0178571 0.0000000 0.5000000), wk = 0.0018657 k( 234) = ( 0.0267857 -0.0000000 0.5000000), wk = 0.0018657 k( 235) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0018657 k( 236) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0018657 k( 237) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0018657 k( 238) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0018657 k( 239) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0018657 k( 240) = ( 0.0803571 -0.0000000 0.5000000), wk = 0.0018657 k( 241) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0018657 k( 242) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0018657 k( 243) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0018657 k( 244) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0018657 k( 245) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0018657 k( 246) = ( 0.1339286 -0.0000000 0.5000000), wk = 0.0018657 k( 247) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0018657 k( 248) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0018657 k( 249) = ( 0.1607143 -0.0000000 0.5000000), wk = 0.0018657 k( 250) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0018657 k( 251) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0018657 k( 252) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0018657 k( 253) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0018657 k( 254) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0018657 k( 255) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0018657 k( 256) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0018657 k( 257) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0018657 k( 258) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0018657 k( 259) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0018657 k( 260) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0018657 k( 261) = ( 0.2678571 -0.0000000 0.5000000), wk = 0.0018657 k( 262) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0018657 k( 263) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0018657 k( 264) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0018657 k( 265) = ( 0.3035714 -0.0000000 0.5000000), wk = 0.0018657 k( 266) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0018657 k( 267) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0018657 k( 268) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0018657 k( 269) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0018657 k( 270) = ( 0.3482143 -0.0000000 0.5000000), wk = 0.0018657 k( 271) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0018657 k( 272) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0018657 k( 273) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0018657 k( 274) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0018657 k( 275) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0018657 k( 276) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0018657 k( 277) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0018657 k( 278) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0018657 k( 279) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0018657 k( 280) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0018657 k( 281) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0018657 k( 282) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0018657 k( 283) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0018657 k( 284) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0018657 k( 285) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0018657 k( 286) = ( 0.4910714 -0.0000000 0.5000000), wk = 0.0018657 k( 287) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 289) = ( 0.5000000 0.0131579 0.5000000), wk = 0.0018657 k( 290) = ( 0.5000000 0.0263158 0.5000000), wk = 0.0018657 k( 291) = ( 0.5000000 0.0394737 0.5000000), wk = 0.0018657 k( 292) = ( 0.5000000 0.0526316 0.5000000), wk = 0.0018657 k( 293) = ( 0.5000000 0.0657895 0.5000000), wk = 0.0018657 k( 294) = ( 0.5000000 0.0789474 0.5000000), wk = 0.0018657 k( 295) = ( 0.5000000 0.0921053 0.5000000), wk = 0.0018657 k( 296) = ( 0.5000000 0.1052632 0.5000000), wk = 0.0018657 k( 297) = ( 0.5000000 0.1184210 0.5000000), wk = 0.0018657 k( 298) = ( 0.5000000 0.1315790 0.5000000), wk = 0.0018657 k( 299) = ( 0.5000000 0.1447368 0.5000000), wk = 0.0018657 k( 300) = ( 0.5000000 0.1578947 0.5000000), wk = 0.0018657 k( 301) = ( 0.5000000 0.1710526 0.5000000), wk = 0.0018657 k( 302) = ( 0.5000000 0.1842105 0.5000000), wk = 0.0018657 k( 303) = ( 0.5000000 0.1973684 0.5000000), wk = 0.0018657 k( 304) = ( 0.5000000 0.2105263 0.5000000), wk = 0.0018657 k( 305) = ( 0.5000000 0.2236842 0.5000000), wk = 0.0018657 k( 306) = ( 0.5000000 0.2368421 0.5000000), wk = 0.0018657 k( 307) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0018657 k( 308) = ( 0.5000000 0.2631579 0.5000000), wk = 0.0018657 k( 309) = ( 0.5000000 0.2763158 0.5000000), wk = 0.0018657 k( 310) = ( 0.5000000 0.2894737 0.5000000), wk = 0.0018657 k( 311) = ( 0.5000000 0.3026316 0.5000000), wk = 0.0018657 k( 312) = ( 0.5000000 0.3157895 0.5000000), wk = 0.0018657 k( 313) = ( 0.5000000 0.3289474 0.5000000), wk = 0.0018657 k( 314) = ( 0.5000000 0.3421053 0.5000000), wk = 0.0018657 k( 315) = ( 0.5000000 0.3552632 0.5000000), wk = 0.0018657 k( 316) = ( 0.5000000 0.3684210 0.5000000), wk = 0.0018657 k( 317) = ( 0.5000000 0.3815789 0.5000000), wk = 0.0018657 k( 318) = ( 0.5000000 0.3947368 0.5000000), wk = 0.0018657 k( 319) = ( 0.5000000 0.4078947 0.5000000), wk = 0.0018657 k( 320) = ( 0.5000000 0.4210526 0.5000000), wk = 0.0018657 k( 321) = ( 0.5000000 0.4342105 0.5000000), wk = 0.0018657 k( 322) = ( 0.5000000 0.4473684 0.5000000), wk = 0.0018657 k( 323) = ( 0.5000000 0.4605263 0.5000000), wk = 0.0018657 k( 324) = ( 0.5000000 0.4736842 0.5000000), wk = 0.0018657 k( 325) = ( 0.5000000 0.4868421 0.5000000), wk = 0.0018657 k( 326) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 327) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 328) = ( 0.4910714 0.5000000 0.5000000), wk = 0.0018657 k( 329) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0018657 k( 330) = ( 0.4732143 0.5000000 0.5000000), wk = 0.0018657 k( 331) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0018657 k( 332) = ( 0.4553571 0.5000000 0.5000000), wk = 0.0018657 k( 333) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0018657 k( 334) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0018657 k( 335) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0018657 k( 336) = ( 0.4196429 0.5000000 0.5000000), wk = 0.0018657 k( 337) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0018657 k( 338) = ( 0.4017857 0.5000000 0.5000000), wk = 0.0018657 k( 339) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0018657 k( 340) = ( 0.3839286 0.5000000 0.5000000), wk = 0.0018657 k( 341) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0018657 k( 342) = ( 0.3660714 0.5000000 0.5000000), wk = 0.0018657 k( 343) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0018657 k( 344) = ( 0.3482143 0.5000000 0.5000000), wk = 0.0018657 k( 345) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0018657 k( 346) = ( 0.3303571 0.5000000 0.5000000), wk = 0.0018657 k( 347) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0018657 k( 348) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0018657 k( 349) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0018657 k( 350) = ( 0.2946429 0.5000000 0.5000000), wk = 0.0018657 k( 351) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0018657 k( 352) = ( 0.2767857 0.5000000 0.5000000), wk = 0.0018657 k( 353) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0018657 k( 354) = ( 0.2589286 0.5000000 0.5000000), wk = 0.0018657 k( 355) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0018657 k( 356) = ( 0.2410714 0.5000000 0.5000000), wk = 0.0018657 k( 357) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0018657 k( 358) = ( 0.2232143 0.5000000 0.5000000), wk = 0.0018657 k( 359) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0018657 k( 360) = ( 0.2053571 0.5000000 0.5000000), wk = 0.0018657 k( 361) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0018657 k( 362) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0018657 k( 363) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0018657 k( 364) = ( 0.1696429 0.5000000 0.5000000), wk = 0.0018657 k( 365) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0018657 k( 366) = ( 0.1517857 0.5000000 0.5000000), wk = 0.0018657 k( 367) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0018657 k( 368) = ( 0.1339286 0.5000000 0.5000000), wk = 0.0018657 k( 369) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0018657 k( 370) = ( 0.1160714 0.5000000 0.5000000), wk = 0.0018657 k( 371) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0018657 k( 372) = ( 0.0982143 0.5000000 0.5000000), wk = 0.0018657 k( 373) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0018657 k( 374) = ( 0.0803571 0.5000000 0.5000000), wk = 0.0018657 k( 375) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0018657 k( 376) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0018657 k( 377) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0018657 k( 378) = ( 0.0446429 0.5000000 0.5000000), wk = 0.0018657 k( 379) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0018657 k( 380) = ( 0.0267857 0.5000000 0.5000000), wk = 0.0018657 k( 381) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0018657 k( 382) = ( 0.0089286 0.5000000 0.5000000), wk = 0.0018657 k( 383) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 384) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 385) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0018657 k( 386) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0018657 k( 387) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0018657 k( 388) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0018657 k( 389) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0018657 k( 390) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0018657 k( 391) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0018657 k( 392) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0018657 k( 393) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0018657 k( 394) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0018657 k( 395) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0018657 k( 396) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0018657 k( 397) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0018657 k( 398) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0018657 k( 399) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0018657 k( 400) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0018657 k( 401) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0018657 k( 402) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0018657 k( 403) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0018657 k( 404) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0018657 k( 405) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0018657 k( 406) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0018657 k( 407) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0018657 k( 408) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0018657 k( 409) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0018657 k( 410) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0018657 k( 411) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0018657 k( 412) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0018657 k( 413) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0018657 k( 414) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0018657 k( 415) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0018657 k( 416) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0018657 k( 417) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0018657 k( 418) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0018657 k( 419) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0018657 k( 420) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0018657 k( 421) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0018657 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 423) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018657 k( 424) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0018657 k( 425) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0018657 k( 426) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0018657 k( 427) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0018657 k( 428) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0018657 k( 429) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0018657 k( 430) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0018657 k( 431) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0018657 k( 432) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0018657 k( 433) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0018657 k( 434) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0018657 k( 435) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0018657 k( 436) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0018657 k( 437) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0018657 k( 438) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0018657 k( 439) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0018657 k( 440) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0018657 k( 441) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0018657 k( 442) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0018657 k( 443) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0018657 k( 444) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0018657 k( 445) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0018657 k( 446) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0018657 k( 447) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0018657 k( 448) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0018657 k( 449) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0018657 k( 450) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0018657 k( 451) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0018657 k( 452) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0018657 k( 453) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0018657 k( 454) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0018657 k( 455) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0018657 k( 456) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0018657 k( 457) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0018657 k( 458) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0018657 k( 459) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0018657 k( 460) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 461) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 462) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0018657 k( 463) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0018657 k( 464) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0018657 k( 465) = ( 0.5000000 0.0000000 0.4459459), wk = 0.0018657 k( 466) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0018657 k( 467) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0018657 k( 468) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0018657 k( 469) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0018657 k( 470) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0018657 k( 471) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0018657 k( 472) = ( 0.5000000 0.0000000 0.3513513), wk = 0.0018657 k( 473) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0018657 k( 474) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0018657 k( 475) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0018657 k( 476) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0018657 k( 477) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0018657 k( 478) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0018657 k( 479) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0018657 k( 480) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0018657 k( 481) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0018657 k( 482) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0018657 k( 483) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0018657 k( 484) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0018657 k( 485) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0018657 k( 486) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0018657 k( 487) = ( 0.5000000 0.0000000 0.1486486), wk = 0.0018657 k( 488) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0018657 k( 489) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0018657 k( 490) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0018657 k( 491) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0018657 k( 492) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0018657 k( 493) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0018657 k( 494) = ( 0.5000000 0.0000000 0.0540540), wk = 0.0018657 k( 495) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0018657 k( 496) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0018657 k( 497) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0018657 k( 498) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018657 k( 499) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018657 k( 500) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0018657 k( 501) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0018657 k( 502) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0018657 k( 503) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0018657 k( 504) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0018657 k( 505) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0018657 k( 506) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0018657 k( 507) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0018657 k( 508) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0018657 k( 509) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0018657 k( 510) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0018657 k( 511) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0018657 k( 512) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0018657 k( 513) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0018657 k( 514) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0018657 k( 515) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0018657 k( 516) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0018657 k( 517) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0018657 k( 518) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0018657 k( 519) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0018657 k( 520) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0018657 k( 521) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0018657 k( 522) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0018657 k( 523) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0018657 k( 524) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0018657 k( 525) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0018657 k( 526) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0018657 k( 527) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0018657 k( 528) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0018657 k( 529) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0018657 k( 530) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0018657 k( 531) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0018657 k( 532) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0018657 k( 533) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0018657 k( 534) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0018657 k( 535) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0018657 k( 536) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 Dense grid: 33621 G-vectors FFT dimensions: ( 32, 45, 48) Smooth grid: 14887 G-vectors FFT dimensions: ( 24, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 136, 40) NL pseudopotentials 0.09 Mb ( 68, 84) Each V/rho on FFT grid 0.04 Mb ( 2880) Each G-vector array 0.01 Mb ( 1052) G-vector shells 0.00 Mb ( 525) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 136, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.10 Mb ( 84, 2, 40) The potential is recalculated from file : ./GeO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.8 secs Computing kpt #: 15 total cpu time spent up to now is 8.2 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.2 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.7 secs Computing kpt #: 26 total cpu time spent up to now is 14.2 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.5 secs Computing kpt #: 29 total cpu time spent up to now is 16.1 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.3 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.6 secs Computing kpt #: 34 total cpu time spent up to now is 19.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.0 secs Computing kpt #: 36 total cpu time spent up to now is 20.6 secs Computing kpt #: 37 total cpu time spent up to now is 21.2 secs Computing kpt #: 38 total cpu time spent up to now is 21.9 secs Computing kpt #: 39 total cpu time spent up to now is 22.5 secs Computing kpt #: 40 total cpu time spent up to now is 23.1 secs Computing kpt #: 41 total cpu time spent up to now is 23.8 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 25.0 secs Computing kpt #: 44 total cpu time spent up to now is 25.6 secs Computing kpt #: 45 total cpu time spent up to now is 26.3 secs Computing kpt #: 46 total cpu time spent up to now is 26.9 secs Computing kpt #: 47 total cpu time spent up to now is 27.6 secs Computing kpt #: 48 total cpu time spent up to now is 28.3 secs Computing kpt #: 49 total cpu time spent up to now is 29.2 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.3 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 31.4 secs Computing kpt #: 52 total cpu time spent up to now is 32.3 secs Computing kpt #: 53 total cpu time spent up to now is 33.1 secs Computing kpt #: 54 total cpu time spent up to now is 33.7 secs Computing kpt #: 55 total cpu time spent up to now is 34.3 secs Computing kpt #: 56 total cpu time spent up to now is 34.9 secs Computing kpt #: 57 total cpu time spent up to now is 35.4 secs Computing kpt #: 58 total cpu time spent up to now is 35.9 secs Computing kpt #: 59 total cpu time spent up to now is 36.5 secs Computing kpt #: 60 total cpu 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Computing kpt #: 76 total cpu time spent up to now is 44.8 secs Computing kpt #: 77 total cpu time spent up to now is 45.3 secs Computing kpt #: 78 total cpu time spent up to now is 45.7 secs Computing kpt #: 79 total cpu time spent up to now is 46.1 secs Computing kpt #: 80 total cpu time spent up to now is 46.5 secs Computing kpt #: 81 total cpu time spent up to now is 46.9 secs Computing kpt #: 82 total cpu time spent up to now is 47.3 secs Computing kpt #: 83 total cpu time spent up to now is 47.7 secs Computing kpt #: 84 total cpu time spent up to now is 48.1 secs Computing kpt #: 85 total cpu time spent up to now is 48.5 secs Computing kpt #: 86 total cpu time spent up to now is 48.9 secs Computing kpt #: 87 total cpu time spent up to now is 49.3 secs Computing kpt #: 88 total cpu time spent up to now is 49.7 secs Computing kpt #: 89 total cpu time spent up to now is 50.1 secs Computing kpt #: 90 total cpu time spent up to now is 50.5 secs Computing kpt #: 91 total cpu time spent up to now is 50.9 secs Computing kpt #: 92 total cpu time spent up to now is 51.3 secs Computing kpt #: 93 total cpu time spent up to now is 51.7 secs Computing kpt #: 94 total cpu time spent up to now is 52.1 secs Computing kpt #: 95 total cpu time spent up to now is 52.5 secs Computing kpt #: 96 total cpu time spent up to now is 52.8 secs Computing kpt #: 97 total cpu time spent up to now is 53.2 secs Computing kpt #: 98 total cpu time spent up to now is 53.6 secs Computing kpt #: 99 total cpu time spent up to now is 54.0 secs Computing kpt #: 100 total cpu time spent up to now is 54.4 secs Computing kpt #: 101 total cpu time spent up to now is 54.8 secs Computing kpt #: 102 total cpu time spent up to now is 55.2 secs Computing kpt #: 103 total cpu time spent up to now is 55.6 secs Computing kpt #: 104 total cpu time spent up to now is 56.0 secs Computing kpt #: 105 total cpu time spent up to now is 56.4 secs Computing kpt #: 106 total cpu time spent up to now is 56.8 secs Computing kpt #: 107 total cpu time spent up to now is 57.2 secs Computing kpt #: 108 total cpu time spent up to now is 57.6 secs Computing kpt #: 109 total cpu time spent up to now is 58.1 secs Computing kpt #: 110 total cpu time spent up to now is 58.5 secs Computing kpt #: 111 total cpu time spent up to now is 59.0 secs Computing kpt #: 112 total cpu time spent up to now is 59.4 secs Computing kpt #: 113 total cpu time spent up to now is 59.9 secs Computing kpt #: 114 total cpu time spent up to now is 60.3 secs Computing kpt #: 115 total cpu time spent up to now is 60.8 secs Computing kpt #: 116 total cpu time spent up to now is 61.3 secs Computing kpt #: 117 total cpu time spent up to now is 61.8 secs Computing kpt #: 118 total cpu time spent up to now is 62.4 secs Computing kpt #: 119 total cpu time spent up to now is 62.9 secs Computing kpt #: 120 total cpu time spent up to now is 63.4 secs Computing kpt #: 121 total cpu time spent up to now is 63.9 secs Computing kpt #: 122 total cpu time 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secs Computing kpt #: 138 total cpu time spent up to now is 74.8 secs Computing kpt #: 139 total cpu time spent up to now is 75.2 secs Computing kpt #: 140 total cpu time spent up to now is 75.6 secs Computing kpt #: 141 total cpu time spent up to now is 75.9 secs Computing kpt #: 142 total cpu time spent up to now is 76.3 secs Computing kpt #: 143 total cpu time spent up to now is 76.7 secs Computing kpt #: 144 total cpu time spent up to now is 77.1 secs Computing kpt #: 145 total cpu time spent up to now is 77.5 secs Computing kpt #: 146 total cpu time spent up to now is 77.9 secs Computing kpt #: 147 total cpu time spent up to now is 78.3 secs Computing kpt #: 148 total cpu time spent up to now is 78.7 secs Computing kpt #: 149 total cpu time spent up to now is 79.1 secs Computing kpt #: 150 total cpu time spent up to now is 79.5 secs Computing kpt #: 151 total cpu time spent up to now is 79.9 secs Computing kpt #: 152 total cpu time spent up to now is 80.2 secs Computing kpt #: 153 total cpu time spent up to now is 80.6 secs Computing kpt #: 154 total cpu time spent up to now is 81.0 secs Computing kpt #: 155 total cpu time spent up to now is 81.4 secs Computing kpt #: 156 total cpu time spent up to now is 81.8 secs Computing kpt #: 157 total cpu time spent up to now is 82.2 secs Computing kpt #: 158 total cpu time spent up to now is 82.6 secs Computing kpt #: 159 total cpu time spent up to now is 83.0 secs Computing kpt #: 160 total cpu time spent up to now is 83.4 secs Computing kpt #: 161 total cpu time spent up to now is 83.7 secs Computing kpt #: 162 total cpu time spent up to now is 84.1 secs Computing kpt #: 163 total cpu time spent up to now is 84.5 secs Computing kpt #: 164 total cpu time spent up to now is 84.9 secs Computing kpt #: 165 total cpu time spent up to now is 85.3 secs Computing kpt #: 166 total cpu time spent up to now is 85.7 secs Computing kpt #: 167 total cpu time spent up to now is 86.1 secs Computing kpt #: 168 total cpu time spent up 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total cpu time spent up to now is 99.0 secs Computing kpt #: 200 total cpu time spent up to now is 99.4 secs Computing kpt #: 201 total cpu time spent up to now is 99.8 secs Computing kpt #: 202 total cpu time spent up to now is 100.2 secs Computing kpt #: 203 total cpu time spent up to now is 100.6 secs Computing kpt #: 204 total cpu time spent up to now is 101.0 secs Computing kpt #: 205 total cpu time spent up to now is 101.4 secs Computing kpt #: 206 total cpu time spent up to now is 101.8 secs Computing kpt #: 207 total cpu time spent up to now is 102.2 secs Computing kpt #: 208 total cpu time spent up to now is 102.6 secs Computing kpt #: 209 total cpu time spent up to now is 103.0 secs Computing kpt #: 210 total cpu time spent up to now is 103.4 secs Computing kpt #: 211 total cpu time spent up to now is 103.8 secs Computing kpt #: 212 total cpu time spent up to now is 104.2 secs Computing kpt #: 213 total cpu time spent up to now is 104.6 secs Computing kpt #: 214 total cpu 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up to now is 110.8 secs Computing kpt #: 230 total cpu time spent up to now is 111.2 secs Computing kpt #: 231 total cpu time spent up to now is 111.6 secs Computing kpt #: 232 total cpu time spent up to now is 111.9 secs Computing kpt #: 233 total cpu time spent up to now is 112.3 secs Computing kpt #: 234 total cpu time spent up to now is 112.7 secs Computing kpt #: 235 total cpu time spent up to now is 113.1 secs Computing kpt #: 236 total cpu time spent up to now is 113.6 secs Computing kpt #: 237 total cpu time spent up to now is 114.0 secs Computing kpt #: 238 total cpu time spent up to now is 114.4 secs Computing kpt #: 239 total cpu time spent up to now is 114.8 secs Computing kpt #: 240 total cpu time spent up to now is 115.3 secs Computing kpt #: 241 total cpu time spent up to now is 115.7 secs Computing kpt #: 242 total cpu time spent up to now is 116.2 secs Computing kpt #: 243 total cpu time spent up to now is 116.6 secs Computing kpt #: 244 total cpu time spent up to now is 117.1 secs Computing kpt #: 245 total cpu time spent up to now is 117.6 secs Computing kpt #: 246 total cpu time spent up to now is 118.2 secs Computing kpt #: 247 total cpu time spent up to now is 118.7 secs Computing kpt #: 248 total cpu time spent up to now is 119.2 secs Computing kpt #: 249 total cpu time spent up to now is 119.7 secs Computing kpt #: 250 total cpu time spent up to now is 120.2 secs Computing kpt #: 251 total cpu time spent up to now is 120.8 secs Computing kpt #: 252 total cpu time spent up to now is 121.3 secs Computing kpt #: 253 total cpu time spent up to now is 121.9 secs Computing kpt #: 254 total cpu time spent up to now is 122.4 secs Computing kpt #: 255 total cpu time spent up to now is 122.9 secs Computing kpt #: 256 total cpu time spent up to now is 123.5 secs Computing kpt #: 257 total cpu time spent up to now is 124.0 secs Computing kpt #: 258 total cpu time spent up to now is 124.5 secs Computing kpt #: 259 total cpu time spent up to now is 125.0 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Computing kpt #: 275 total cpu time spent up to now is 132.7 secs Computing kpt #: 276 total cpu time spent up to now is 133.1 secs Computing kpt #: 277 total cpu time spent up to now is 133.5 secs Computing kpt #: 278 total cpu time spent up to now is 133.9 secs Computing kpt #: 279 total cpu time spent up to now is 134.4 secs Computing kpt #: 280 total cpu time spent up to now is 134.8 secs Computing kpt #: 281 total cpu time spent up to now is 135.2 secs Computing kpt #: 282 total cpu time spent up to now is 135.6 secs Computing kpt #: 283 total cpu time spent up to now is 136.0 secs Computing kpt #: 284 total cpu time spent up to now is 136.4 secs Computing kpt #: 285 total cpu time spent up to now is 136.8 secs Computing kpt #: 286 total cpu time spent up to now is 137.2 secs Computing kpt #: 287 total cpu time spent up to now is 137.6 secs Computing kpt #: 288 total cpu time spent up to now is 138.0 secs Computing kpt #: 289 total cpu time spent up to now is 138.4 secs Computing kpt #: 290 total cpu time spent up to now is 138.8 secs Computing kpt #: 291 total cpu time spent up to now is 139.1 secs Computing kpt #: 292 total cpu time spent up to now is 139.5 secs Computing kpt #: 293 total cpu time spent up to now is 139.9 secs Computing kpt #: 294 total cpu time spent up to now is 140.4 secs Computing kpt #: 295 total cpu time spent up to now is 140.8 secs Computing kpt #: 296 total cpu time spent up to now is 141.2 secs Computing kpt #: 297 total cpu time spent up to now is 142.0 secs Computing kpt #: 298 total cpu time spent up to now is 142.6 secs Computing kpt #: 299 total cpu time spent up to now is 143.1 secs Computing kpt #: 300 total cpu time spent up to now is 143.6 secs Computing kpt #: 301 total cpu time spent up to now is 144.0 secs Computing kpt #: 302 total cpu time spent up to now is 144.5 secs Computing kpt #: 303 total cpu time spent up to now is 145.0 secs Computing kpt #: 304 total cpu time spent up to now is 145.4 secs Computing kpt #: 305 total cpu time spent up to now is 145.9 secs Computing kpt #: 306 total cpu time spent up to now is 146.4 secs Computing kpt #: 307 total cpu time spent up to now is 146.8 secs Computing kpt #: 308 total cpu time spent up to now is 147.3 secs Computing kpt #: 309 total cpu time spent up to now is 147.8 secs Computing kpt #: 310 total cpu time spent up to now is 148.3 secs Computing kpt #: 311 total cpu time spent up to now is 148.8 secs Computing kpt #: 312 total cpu time spent up to now is 149.3 secs Computing kpt #: 313 total cpu time spent up to now is 149.8 secs Computing kpt #: 314 total cpu time spent up to now is 150.4 secs Computing kpt #: 315 total cpu time spent up to now is 150.9 secs Computing kpt #: 316 total cpu time spent up to now is 151.4 secs Computing kpt #: 317 total cpu time spent up to now is 151.9 secs Computing kpt #: 318 total cpu time spent up to now is 152.5 secs Computing kpt #: 319 total cpu time spent up to now is 153.0 secs Computing kpt #: 320 total cpu 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up to now is 161.5 secs Computing kpt #: 336 total cpu time spent up to now is 162.1 secs Computing kpt #: 337 total cpu time spent up to now is 162.6 secs Computing kpt #: 338 total cpu time spent up to now is 163.2 secs Computing kpt #: 339 total cpu time spent up to now is 163.8 secs Computing kpt #: 340 total cpu time spent up to now is 164.3 secs Computing kpt #: 341 total cpu time spent up to now is 164.9 secs Computing kpt #: 342 total cpu time spent up to now is 165.4 secs Computing kpt #: 343 total cpu time spent up to now is 166.1 secs Computing kpt #: 344 total cpu time spent up to now is 166.6 secs Computing kpt #: 345 total cpu time spent up to now is 167.2 secs Computing kpt #: 346 total cpu time spent up to now is 167.8 secs Computing kpt #: 347 total cpu time spent up to now is 168.5 secs Computing kpt #: 348 total cpu time spent up to now is 169.1 secs Computing kpt #: 349 total cpu time spent up to now is 169.6 secs Computing kpt #: 350 total cpu time spent up to now is 170.2 secs Computing kpt #: 351 total cpu time spent up to now is 170.8 secs Computing kpt #: 352 total cpu time spent up to now is 171.3 secs Computing kpt #: 353 total cpu time spent up to now is 171.9 secs Computing kpt #: 354 total cpu time spent up to now is 172.4 secs Computing kpt #: 355 total cpu time spent up to now is 172.9 secs Computing kpt #: 356 total cpu time spent up to now is 173.5 secs Computing kpt #: 357 total cpu time spent up to now is 174.0 secs Computing kpt #: 358 total cpu time spent up to now is 174.5 secs Computing kpt #: 359 total cpu time spent up to now is 175.0 secs Computing kpt #: 360 total cpu time spent up to now is 175.5 secs Computing kpt #: 361 total cpu time spent up to now is 176.0 secs Computing kpt #: 362 total cpu time spent up to now is 176.4 secs Computing kpt #: 363 total cpu time spent up to now is 176.9 secs Computing kpt #: 364 total cpu time spent up to now is 177.3 secs Computing kpt #: 365 total cpu time spent up to now is 177.8 secs Computing kpt #: 366 total cpu time spent up to now is 178.2 secs Computing kpt #: 367 total cpu time spent up to now is 178.6 secs Computing kpt #: 368 total cpu time spent up to now is 179.0 secs Computing kpt #: 369 total cpu time spent up to now is 179.5 secs Computing kpt #: 370 total cpu time spent up to now is 179.9 secs Computing kpt #: 371 total cpu time spent up to now is 180.3 secs Computing kpt #: 372 total cpu time spent up to now is 180.7 secs Computing kpt #: 373 total cpu time spent up to now is 181.0 secs Computing kpt #: 374 total cpu time spent up to now is 181.4 secs Computing kpt #: 375 total cpu time spent up to now is 181.8 secs Computing kpt #: 376 total cpu time spent up to now is 182.2 secs Computing kpt #: 377 total cpu time spent up to now is 182.6 secs Computing kpt #: 378 total cpu time spent up to now is 183.0 secs Computing kpt #: 379 total cpu time spent up to now is 183.4 secs Computing kpt #: 380 total cpu time spent up to now is 183.7 secs Computing kpt #: 381 total cpu time spent up to now is 184.1 secs Computing kpt #: 382 total cpu time spent up to now is 184.5 secs Computing kpt #: 383 total cpu time spent up to now is 184.9 secs Computing kpt #: 384 total cpu time spent up to now is 185.3 secs Computing kpt #: 385 total cpu time spent up to now is 185.7 secs Computing kpt #: 386 total cpu time spent up to now is 186.0 secs Computing kpt #: 387 total cpu time spent up to now is 186.4 secs Computing kpt #: 388 total cpu time spent up to now is 186.8 secs Computing kpt #: 389 total cpu time spent up to now is 187.2 secs Computing kpt #: 390 total cpu time spent up to now is 187.6 secs Computing kpt #: 391 total cpu time spent up to now is 187.9 secs Computing kpt #: 392 total cpu time spent up to now is 188.3 secs Computing kpt #: 393 total cpu time spent up to now is 188.7 secs Computing kpt #: 394 total cpu time spent up to now is 189.1 secs Computing kpt #: 395 total cpu time spent up to now is 189.5 secs Computing kpt #: 396 total cpu time spent up to now is 189.9 secs Computing kpt #: 397 total cpu time spent up to now is 190.3 secs Computing kpt #: 398 total cpu time spent up to now is 190.7 secs Computing kpt #: 399 total cpu time spent up to now is 191.1 secs Computing kpt #: 400 total cpu time spent up to now is 191.4 secs Computing kpt #: 401 total cpu time spent up to now is 191.8 secs Computing kpt #: 402 total cpu time spent up to now is 192.2 secs Computing kpt #: 403 total cpu time spent up to now is 192.6 secs Computing kpt #: 404 total cpu time spent up to now is 193.0 secs Computing kpt #: 405 total cpu time spent up to now is 193.4 secs Computing kpt #: 406 total cpu time spent up to now is 193.8 secs Computing kpt #: 407 total cpu time spent up to now is 194.2 secs Computing kpt #: 408 total cpu time spent up to now is 194.6 secs Computing kpt #: 409 total cpu time spent up to now is 195.0 secs Computing kpt #: 410 total cpu time spent up to now is 195.4 secs Computing kpt #: 411 total cpu time spent up to now is 195.8 secs Computing kpt #: 412 total cpu time spent up to now is 196.2 secs Computing kpt #: 413 total cpu time spent up to now is 196.6 secs Computing kpt #: 414 total cpu time spent up to now is 197.0 secs Computing kpt #: 415 total cpu time spent up to now is 197.3 secs Computing kpt #: 416 total cpu time spent up to now is 197.8 secs Computing kpt #: 417 total cpu time spent up to now is 198.2 secs Computing kpt #: 418 total cpu time spent up to now is 198.6 secs Computing kpt #: 419 total cpu time spent up to now is 198.9 secs Computing kpt #: 420 total cpu time spent up to now is 199.4 secs Computing kpt #: 421 total cpu time spent up to now is 199.8 secs Computing kpt #: 422 total cpu time spent up to now is 200.1 secs Computing kpt #: 423 total cpu time spent up to now is 200.5 secs Computing kpt #: 424 total cpu time spent up to now is 200.9 secs Computing kpt #: 425 total cpu time spent up to now is 201.3 secs Computing kpt #: 426 total cpu time spent up to now is 201.7 secs Computing kpt #: 427 total cpu time spent up to now is 202.1 secs Computing kpt #: 428 total cpu time spent up to now is 202.4 secs Computing kpt #: 429 total cpu time spent up to now is 202.8 secs Computing kpt #: 430 total cpu time spent up to now is 203.2 secs Computing kpt #: 431 total cpu time spent up to now is 203.6 secs Computing kpt #: 432 total cpu time spent up to now is 204.0 secs Computing kpt #: 433 total cpu time spent up to now is 204.4 secs Computing kpt #: 434 total cpu time spent up to now is 204.8 secs Computing kpt #: 435 total cpu time spent up to now is 205.2 secs Computing kpt #: 436 total cpu time spent up to now is 205.5 secs Computing kpt #: 437 total cpu time spent up to now is 205.9 secs Computing kpt #: 438 total cpu time spent up to now is 206.3 secs Computing kpt #: 439 total cpu time spent up to now is 206.7 secs Computing kpt #: 440 total cpu time spent up to now is 207.1 secs Computing kpt #: 441 total cpu time spent up to now is 207.5 secs Computing kpt #: 442 total cpu time spent up to now is 207.8 secs Computing kpt #: 443 total cpu time spent up to now is 208.2 secs Computing kpt #: 444 total cpu time spent up to now is 208.6 secs Computing kpt #: 445 total cpu time spent up to now is 209.0 secs Computing kpt #: 446 total cpu time spent up to now is 209.4 secs Computing kpt #: 447 total cpu time spent up to now is 209.7 secs Computing kpt #: 448 total cpu time spent up to now is 210.1 secs Computing kpt #: 449 total cpu time spent up to now is 210.5 secs Computing kpt #: 450 total cpu time spent up to now is 210.9 secs Computing kpt #: 451 total cpu time spent up to now is 211.3 secs Computing kpt #: 452 total cpu time spent up to now is 211.7 secs Computing kpt #: 453 total cpu time spent up to now is 212.1 secs Computing kpt #: 454 total cpu time spent up to now is 212.4 secs Computing kpt #: 455 total cpu time spent up to now is 212.8 secs Computing kpt #: 456 total cpu time spent up to now is 213.2 secs Computing kpt #: 457 total cpu time spent up to now is 213.6 secs Computing kpt #: 458 total cpu time spent up to now is 214.0 secs Computing kpt #: 459 total cpu time spent up to now is 214.4 secs Computing kpt #: 460 total cpu time spent up to now is 214.7 secs Computing kpt #: 461 total cpu time spent up to now is 215.1 secs Computing kpt #: 462 total cpu time spent up to now is 215.5 secs Computing kpt #: 463 total cpu time spent up to now is 215.9 secs Computing kpt #: 464 total cpu time spent up to now is 216.3 secs Computing kpt #: 465 total cpu time spent up to now is 216.7 secs Computing kpt #: 466 total cpu time spent up to now is 217.1 secs Computing kpt #: 467 total cpu time spent up to now is 217.5 secs Computing kpt #: 468 total cpu time spent up to now is 217.9 secs Computing kpt #: 469 total cpu time spent up to now is 218.3 secs Computing kpt #: 470 total cpu time spent up to now is 218.7 secs Computing kpt #: 471 total cpu time spent up to now is 219.1 secs Computing kpt #: 472 total cpu time spent up to now is 219.5 secs Computing kpt #: 473 total cpu time spent up to now is 220.0 secs Computing kpt #: 474 total cpu time spent up to now is 220.4 secs Computing kpt #: 475 total cpu time spent up to now is 220.8 secs Computing kpt #: 476 total cpu time spent up to now is 221.3 secs Computing kpt #: 477 total cpu time spent up to now is 221.7 secs Computing kpt #: 478 total cpu time spent up to now is 222.2 secs Computing kpt #: 479 total cpu time spent up to now is 222.6 secs Computing kpt #: 480 total cpu time spent up to now is 223.1 secs Computing kpt #: 481 total cpu time spent up to now is 223.6 secs Computing kpt #: 482 total cpu time spent up to now is 224.0 secs Computing kpt #: 483 total cpu time spent up to now is 224.5 secs Computing kpt #: 484 total cpu time spent up to now is 225.0 secs Computing kpt #: 485 total cpu time spent up to now is 225.4 secs Computing kpt #: 486 total cpu time spent up to now is 225.9 secs Computing kpt #: 487 total cpu time spent up to now is 226.4 secs Computing kpt #: 488 total cpu time spent up to now is 226.9 secs Computing kpt #: 489 total cpu time spent up to now is 227.4 secs Computing kpt #: 490 total cpu time spent up to now is 227.9 secs Computing kpt #: 491 total cpu time spent up to now is 228.4 secs Computing kpt #: 492 total cpu time spent up to now is 229.0 secs Computing kpt #: 493 total cpu time spent up to now is 229.5 secs Computing kpt #: 494 total cpu time spent up to now is 230.0 secs Computing kpt #: 495 total cpu time spent up to now is 230.6 secs Computing kpt #: 496 total cpu time spent up to now is 231.1 secs Computing kpt #: 497 total cpu time spent up to now is 231.7 secs Computing kpt #: 498 total cpu time spent up to now is 232.2 secs Computing kpt #: 499 total cpu time spent up to now is 232.6 secs Computing kpt #: 500 total cpu time spent up to now is 233.0 secs Computing kpt #: 501 total cpu time spent up to now is 233.4 secs Computing kpt #: 502 total cpu time spent up to now is 233.8 secs Computing kpt #: 503 total cpu time spent up to now is 234.2 secs Computing kpt #: 504 total cpu time spent up to now is 234.6 secs Computing kpt #: 505 total cpu time spent up to now is 235.0 secs Computing kpt #: 506 total cpu time spent up to now is 235.4 secs Computing kpt #: 507 total cpu time spent up to now is 235.8 secs Computing kpt #: 508 total cpu time spent up to now is 236.2 secs Computing kpt #: 509 total cpu time spent up to now is 236.6 secs Computing kpt #: 510 total cpu time spent up to now is 237.0 secs Computing kpt #: 511 total cpu time spent up to now is 237.4 secs Computing kpt #: 512 total cpu time spent up to now is 237.8 secs Computing kpt #: 513 total cpu time spent up to now is 238.2 secs Computing kpt #: 514 total cpu time spent up to now is 238.7 secs Computing kpt #: 515 total cpu time spent up to now is 239.1 secs Computing kpt #: 516 total cpu time spent up to now is 239.6 secs Computing kpt #: 517 total cpu time spent up to now is 240.1 secs Computing kpt #: 518 total cpu time spent up to now is 240.6 secs Computing kpt #: 519 total cpu time spent up to now is 241.0 secs Computing kpt #: 520 total cpu time spent up to now is 241.5 secs Computing kpt #: 521 total cpu time spent up to now is 242.0 secs Computing kpt #: 522 total cpu time spent up to now is 242.6 secs Computing kpt #: 523 total cpu time spent up to now is 243.1 secs Computing kpt #: 524 total cpu time spent up to now is 243.6 secs Computing kpt #: 525 total cpu time spent up to now is 244.1 secs Computing kpt #: 526 total cpu time spent up to now is 244.6 secs Computing kpt #: 527 total cpu time spent up to now is 245.2 secs Computing kpt #: 528 total cpu time spent up to now is 245.7 secs Computing kpt #: 529 total cpu time spent up to now is 246.2 secs Computing kpt #: 530 total cpu time spent up to now is 246.8 secs Computing kpt #: 531 total cpu time spent up to now is 247.3 secs Computing kpt #: 532 total cpu time spent up to now is 247.8 secs Computing kpt #: 533 total cpu time spent up to now is 248.4 secs Computing kpt #: 534 total cpu time spent up to now is 248.9 secs Computing kpt #: 535 total cpu time spent up to now is 249.4 secs Computing kpt #: 536 total cpu time spent up to now is 250.0 secs ethr = 3.13E-11, avg # of iterations = 26.8 total cpu time spent up to now is 250.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1875 PWs) bands (ev): -12.2961 -12.2961 -8.8807 -8.8807 -8.6053 -8.6053 -8.0285 -8.0285 -1.5130 -1.5130 3.0942 3.0942 4.3191 4.3191 4.3846 4.3846 4.5368 4.5368 6.1611 6.1611 7.4024 7.4024 7.6466 7.6466 7.6617 7.6617 9.1345 9.1345 9.2046 9.2046 9.2679 9.2679 12.5540 12.5540 16.0819 16.0819 17.2215 17.2215 17.3537 17.3537 k = 0.0089-0.0000-0.0000 ( 1875 PWs) bands (ev): -12.2951 -12.2951 -8.8800 -8.8800 -8.6048 -8.6048 -8.0286 -8.0286 -1.5128 -1.5128 3.0952 3.0952 4.3188 4.3188 4.3852 4.3852 4.5356 4.5356 6.1593 6.1593 7.3980 7.3980 7.6424 7.6424 7.6545 7.6545 9.1343 9.1343 9.2052 9.2052 9.2673 9.2673 12.5593 12.5593 16.0863 16.0863 17.2265 17.2265 17.3585 17.3585 k = 0.0179-0.0000-0.0000 ( 1883 PWs) bands (ev): -12.2921 -12.2921 -8.8782 -8.8782 -8.6032 -8.6032 -8.0288 -8.0288 -1.5121 -1.5121 3.0982 3.0982 4.3178 4.3178 4.3872 4.3872 4.5321 4.5321 6.1538 6.1538 7.3850 7.3850 7.6299 7.6299 7.6333 7.6333 9.1336 9.1336 9.2070 9.2070 9.2656 9.2656 12.5753 12.5753 16.0994 16.0994 17.2415 17.2415 17.3730 17.3730 k = 0.0268-0.0000-0.0000 ( 1887 PWs) bands (ev): -12.2871 -12.2871 -8.8752 -8.8752 -8.6005 -8.6005 -8.0290 -8.0290 -1.5110 -1.5110 3.1032 3.1032 4.3156 4.3156 4.3906 4.3906 4.5268 4.5268 6.1447 6.1447 7.3636 7.3636 7.5981 7.5981 7.6096 7.6096 9.1326 9.1326 9.2096 9.2096 9.2628 9.2628 12.6015 12.6015 16.1211 16.1211 17.2664 17.2664 17.3971 17.3971 k = 0.0357-0.0000-0.0000 ( 1887 PWs) bands (ev): -12.2801 -12.2801 -8.8709 -8.8709 -8.5967 -8.5967 -8.0294 -8.0294 -1.5095 -1.5095 3.1102 3.1102 4.3114 4.3114 4.3953 4.3953 4.5207 4.5207 6.1317 6.1317 7.3338 7.3338 7.5508 7.5508 7.5811 7.5811 9.1311 9.1311 9.2126 9.2126 9.2588 9.2588 12.6377 12.6377 16.1513 16.1513 17.3009 17.3009 17.4306 17.4306 k = 0.0446-0.0000-0.0000 ( 1891 PWs) bands (ev): -12.2711 -12.2711 -8.8654 -8.8654 -8.5920 -8.5920 -8.0300 -8.0300 -1.5076 -1.5076 3.1191 3.1191 4.3043 4.3043 4.4013 4.4013 4.5149 4.5149 6.1145 6.1145 7.2961 7.2961 7.4923 7.4923 7.5449 7.5449 9.1291 9.1291 9.2154 9.2154 9.2535 9.2535 12.6831 12.6831 16.1895 16.1895 17.3449 17.3449 17.4733 17.4733 k = 0.0536-0.0000-0.0000 ( 1891 PWs) bands (ev): -12.2601 -12.2601 -8.8588 -8.8588 -8.5861 -8.5861 -8.0307 -8.0307 -1.5052 -1.5052 3.1301 3.1301 4.2931 4.2931 4.4085 4.4085 4.5109 4.5109 6.0930 6.0930 7.2507 7.2507 7.4243 7.4243 7.5016 7.5016 9.1265 9.1265 9.2174 9.2174 9.2468 9.2468 12.7371 12.7371 16.2356 16.2356 17.3980 17.3980 17.5250 17.5250 k = 0.0625-0.0000-0.0000 ( 1891 PWs) bands (ev): -12.2471 -12.2471 -8.8509 -8.8509 -8.5793 -8.5793 -8.0316 -8.0316 -1.5024 -1.5024 3.1430 3.1430 4.2768 4.2768 4.4170 4.4170 4.5098 4.5098 6.0667 6.0667 7.1979 7.1979 7.3483 7.3483 7.4513 7.4513 9.1233 9.1233 9.2183 9.2183 9.2387 9.2387 12.7988 12.7988 16.2890 16.2890 17.4599 17.4599 17.5852 17.5852 k = 0.0714-0.0000-0.0000 ( 1887 PWs) bands (ev): -12.2321 -12.2321 -8.8419 -8.8419 -8.5714 -8.5714 -8.0328 -8.0328 -1.4991 -1.4991 3.1579 3.1579 4.2549 4.2549 4.4267 4.4267 4.5125 4.5125 6.0350 6.0350 7.1384 7.1384 7.2661 7.2661 7.3947 7.3947 9.1193 9.1193 9.2174 9.2174 9.2292 9.2292 12.8675 12.8675 16.3493 16.3493 17.5302 17.5302 17.6538 17.6538 k = 0.0804-0.0000-0.0000 ( 1887 PWs) bands (ev): -12.2152 -12.2152 -8.8318 -8.8318 -8.5625 -8.5625 -8.0343 -8.0343 -1.4954 -1.4954 3.1747 3.1747 4.2276 4.2276 4.4376 4.4376 4.5193 4.5193 5.9973 5.9973 7.0723 7.0723 7.1793 7.1793 7.3321 7.3321 9.1145 9.1145 9.2142 9.2142 9.2184 9.2184 12.9423 12.9423 16.4158 16.4158 17.6084 17.6084 17.7301 17.7301 k = 0.0893-0.0000-0.0000 ( 1887 PWs) bands (ev): -12.1963 -12.1963 -8.8205 -8.8205 -8.5527 -8.5527 -8.0362 -8.0362 -1.4913 -1.4913 3.1935 3.1935 4.1954 4.1954 4.4495 4.4495 4.5298 4.5298 5.9531 5.9531 7.0004 7.0004 7.0898 7.0898 7.2640 7.2640 9.1089 9.1089 9.2044 9.2044 9.2104 9.2104 13.0223 13.0223 16.4881 16.4881 17.6941 17.6941 17.8140 17.8140 k = 0.0982-0.0000-0.0000 ( 1883 PWs) bands (ev): -12.1754 -12.1754 -8.8081 -8.8081 -8.5419 -8.5419 -8.0384 -8.0384 -1.4868 -1.4868 3.2142 3.2142 4.1590 4.1590 4.4625 4.4625 4.5439 4.5439 5.9015 5.9015 6.9230 6.9230 6.9993 6.9993 7.1911 7.1911 9.1023 9.1023 9.1901 9.1901 9.2029 9.2029 13.1067 13.1067 16.5654 16.5654 17.7868 17.7868 17.9048 17.9048 k = 0.1071-0.0000-0.0000 ( 1883 PWs) bands (ev): -12.1526 -12.1526 -8.7946 -8.7946 -8.5302 -8.5302 -8.0412 -8.0412 -1.4818 -1.4818 3.2368 3.2368 4.1192 4.1192 4.4764 4.4764 4.5611 4.5611 5.8417 5.8417 6.8408 6.8408 6.9092 6.9092 7.1137 7.1137 9.0947 9.0947 9.1739 9.1739 9.1932 9.1932 13.1946 13.1946 16.6471 16.6471 17.8859 17.8859 18.0023 18.0023 k = 0.1161-0.0000-0.0000 ( 1883 PWs) bands (ev): -12.1279 -12.1279 -8.7801 -8.7801 -8.5176 -8.5176 -8.0444 -8.0444 -1.4763 -1.4763 3.2613 3.2613 4.0767 4.0767 4.4912 4.4912 4.5811 4.5811 5.7731 5.7731 6.7543 6.7543 6.8208 6.8208 7.0326 7.0326 9.0860 9.0860 9.1559 9.1559 9.1811 9.1811 13.2853 13.2853 16.7322 16.7322 17.9910 17.9910 18.1058 18.1058 k = 0.1250-0.0000-0.0000 ( 1879 PWs) bands (ev): -12.1012 -12.1012 -8.7645 -8.7645 -8.5042 -8.5042 -8.0483 -8.0483 -1.4704 -1.4704 3.2877 3.2877 4.0323 4.0323 4.5067 4.5067 4.6036 4.6036 5.6951 5.6951 6.6640 6.6640 6.7354 6.7354 6.9481 6.9481 9.0762 9.0762 9.1362 9.1362 9.1666 9.1666 13.3780 13.3780 16.8202 16.8202 18.1015 18.1015 18.2149 18.2149 k = 0.1339-0.0000-0.0000 ( 1875 PWs) bands (ev): -12.0726 -12.0726 -8.7480 -8.7480 -8.4899 -8.4899 -8.0528 -8.0528 -1.4640 -1.4640 3.3159 3.3159 3.9864 3.9864 4.5228 4.5228 4.6285 4.6285 5.6075 5.6075 6.5705 6.5705 6.6539 6.6539 6.8608 6.8608 9.0651 9.0651 9.1149 9.1149 9.1496 9.1496 13.4721 13.4721 16.9100 16.9100 18.2169 18.2169 18.3291 18.3291 k = 0.1429-0.0000-0.0000 ( 1873 PWs) bands (ev): -12.0422 -12.0422 -8.7305 -8.7305 -8.4748 -8.4748 -8.0582 -8.0582 -1.4571 -1.4571 3.3459 3.3459 3.9396 3.9396 4.5394 4.5394 4.6557 4.6557 5.5105 5.5105 6.4739 6.4739 6.5766 6.5766 6.7713 6.7713 9.0526 9.0526 9.0921 9.0921 9.1302 9.1302 13.5670 13.5670 17.0009 17.0009 18.3368 18.3368 18.4481 18.4481 k = 0.1518-0.0000-0.0000 ( 1869 PWs) bands (ev): -12.0098 -12.0098 -8.7120 -8.7120 -8.4590 -8.4590 -8.0644 -8.0644 -1.4496 -1.4496 3.3777 3.3777 3.8925 3.8925 4.5561 4.5561 4.6850 4.6850 5.4045 5.4045 6.3747 6.3747 6.5038 6.5038 6.6802 6.6802 9.0381 9.0381 9.0683 9.0683 9.1084 9.1084 13.6621 13.6621 17.0920 17.0920 18.4605 18.4605 18.5711 18.5711 k = 0.1607-0.0000-0.0000 ( 1869 PWs) bands (ev): -11.9756 -11.9756 -8.6927 -8.6927 -8.4425 -8.4425 -8.0715 -8.0715 -1.4416 -1.4416 3.4113 3.4113 3.8455 3.8455 4.5729 4.5729 4.7163 4.7163 5.2903 5.2903 6.2733 6.2733 6.4351 6.4351 6.5880 6.5880 9.0207 9.0207 9.0446 9.0446 9.0844 9.0844 13.7569 13.7569 17.1823 17.1823 18.5877 18.5877 18.6978 18.6978 k = 0.1696-0.0000-0.0000 ( 1859 PWs) bands (ev): -11.9396 -11.9396 -8.6725 -8.6725 -8.4253 -8.4253 -8.0797 -8.0797 -1.4329 -1.4329 3.4466 3.4466 3.7991 3.7991 4.5894 4.5894 4.7495 4.7495 5.1691 5.1691 6.1701 6.1701 6.3699 6.3699 6.4953 6.4953 8.9984 8.9984 9.0229 9.0229 9.0581 9.0581 13.8510 13.8510 17.2710 17.2710 18.7177 18.7177 18.8276 18.8276 k = 0.1786-0.0000-0.0000 ( 1863 PWs) bands (ev): -11.9017 -11.9017 -8.6516 -8.6516 -8.4075 -8.4075 -8.0890 -8.0890 -1.4236 -1.4236 3.4836 3.4836 3.7537 3.7537 4.6052 4.6052 4.7846 4.7846 5.0417 5.0417 6.0655 6.0655 6.3076 6.3076 6.4028 6.4028 8.9711 8.9711 9.0033 9.0033 9.0296 9.0296 13.9440 13.9440 17.3570 17.3570 18.8500 18.8500 18.9598 18.9598 k = 0.1875-0.0000-0.0000 ( 1861 PWs) bands (ev): -11.8621 -11.8621 -8.6299 -8.6299 -8.3891 -8.3891 -8.0995 -8.0995 -1.4135 -1.4135 3.5222 3.5222 3.7096 3.7096 4.6196 4.6196 4.8213 4.8213 4.9100 4.9100 5.9598 5.9598 6.2475 6.2475 6.3111 6.3111 8.9404 8.9404 8.9841 8.9841 8.9992 8.9992 14.0356 14.0356 17.4395 17.4395 18.9840 18.9840 19.0931 19.0931 k = 0.1964-0.0000-0.0000 ( 1861 PWs) bands (ev): -11.8206 -11.8206 -8.6075 -8.6075 -8.3702 -8.3702 -8.1114 -8.1114 -1.4026 -1.4026 3.5622 3.5622 3.6673 3.6673 4.6304 4.6304 4.7747 4.7747 4.8610 4.8610 5.8536 5.8536 6.1889 6.1889 6.2211 6.2211 8.9074 8.9074 8.9626 8.9626 8.9685 8.9685 14.1255 14.1255 17.5176 17.5176 19.1181 19.1181 19.2224 19.2224 k = 0.2054-0.0000-0.0000 ( 1857 PWs) bands (ev): -11.7774 -11.7774 -8.5844 -8.5844 -8.3509 -8.3509 -8.1247 -8.1247 -1.3909 -1.3909 3.6024 3.6024 3.6285 3.6285 4.6074 4.6074 4.6692 4.6692 4.9013 4.9013 5.7470 5.7470 6.1296 6.1296 6.1351 6.1351 8.8725 8.8725 8.9304 8.9304 8.9458 8.9458 14.2134 14.2134 17.5906 17.5906 19.2433 19.2433 19.3129 19.3129 k = 0.2143-0.0000-0.0000 ( 1858 PWs) bands (ev): -11.7325 -11.7325 -8.5608 -8.5608 -8.3312 -8.3312 -8.1395 -8.1395 -1.3782 -1.3782 3.5874 3.5874 3.6487 3.6487 4.4795 4.4795 4.6629 4.6629 4.9435 4.9435 5.6405 5.6405 6.0484 6.0484 6.0751 6.0751 8.8360 8.8360 8.8938 8.8938 8.9244 8.9244 14.2993 14.2993 17.6575 17.6575 19.3009 19.3009 19.4116 19.4116 k = 0.2232-0.0000-0.0000 ( 1858 PWs) bands (ev): -11.6859 -11.6859 -8.5366 -8.5366 -8.3112 -8.3112 -8.1559 -8.1559 -1.3644 -1.3644 3.5522 3.5522 3.6930 3.6930 4.3358 4.3358 4.6670 4.6670 4.9874 4.9874 5.5343 5.5343 5.9682 5.9682 6.0183 6.0183 8.7980 8.7980 8.8551 8.8551 8.9021 8.9021 14.3830 14.3830 17.7178 17.7178 19.3196 19.3196 19.5452 19.5452 k = 0.2321-0.0000-0.0000 ( 1860 PWs) bands (ev): -11.6377 -11.6377 -8.5120 -8.5120 -8.2910 -8.2910 -8.1740 -8.1740 -1.3494 -1.3494 3.5195 3.5195 3.7388 3.7388 4.1893 4.1893 4.6681 4.6681 5.0329 5.0329 5.4288 5.4288 5.8933 5.8933 5.9616 5.9616 8.7587 8.7587 8.8144 8.8144 8.8788 8.8788 14.4645 14.4645 17.7707 17.7707 19.3384 19.3384 19.6828 19.6828 k = 0.2411-0.0000-0.0000 ( 1864 PWs) bands (ev): -11.5878 -11.5878 -8.4869 -8.4869 -8.2706 -8.2706 -8.1938 -8.1938 -1.3332 -1.3332 3.4897 3.4897 3.7855 3.7855 4.0418 4.0418 4.6644 4.6644 5.0801 5.0801 5.3244 5.3244 5.8249 5.8249 5.9046 5.9046 8.7182 8.7182 8.7718 8.7718 8.8545 8.8545 14.5438 14.5438 17.8158 17.8158 19.3615 19.3615 19.8209 19.8209 k = 0.2500-0.0000-0.0000 ( 1866 PWs) bands (ev): -11.5362 -11.5362 -8.4615 -8.4615 -8.2507 -8.2507 -8.2149 -8.2149 -1.3156 -1.3156 3.4631 3.4631 3.8273 3.8273 3.8994 3.8994 4.6546 4.6546 5.1287 5.1287 5.2212 5.2212 5.7640 5.7640 5.8471 5.8471 8.6767 8.6767 8.7273 8.7273 8.8291 8.8291 14.6209 14.6209 17.8528 17.8528 19.3897 19.3897 19.9586 19.9586 k = 0.2589-0.0000-0.0000 ( 1872 PWs) bands (ev): -11.4832 -11.4832 -8.4359 -8.4359 -8.2434 -8.2434 -8.2253 -8.2253 -1.2964 -1.2964 3.4397 3.4397 3.7362 3.7362 3.8907 3.8907 4.6380 4.6380 5.1191 5.1191 5.1795 5.1795 5.7116 5.7116 5.7890 5.7890 8.6342 8.6342 8.6811 8.6811 8.8027 8.8027 14.6958 14.6958 17.8813 17.8813 19.4231 19.4231 20.0954 20.0954 k = 0.2679-0.0000-0.0000 ( 1870 PWs) bands (ev): -11.4286 -11.4286 -8.4101 -8.4101 -8.2667 -8.2667 -8.2069 -8.2069 -1.2756 -1.2756 3.4198 3.4198 3.5883 3.5883 3.9396 3.9396 4.6138 4.6138 5.0196 5.0196 5.2310 5.2310 5.6684 5.6684 5.7304 5.7304 8.5909 8.5909 8.6331 8.6331 8.7752 8.7752 14.7687 14.7687 17.9013 17.9013 19.4618 19.4618 20.2307 20.2307 k = 0.2768-0.0000-0.0000 ( 1866 PWs) bands (ev): -11.3725 -11.3725 -8.3843 -8.3843 -8.2941 -8.2941 -8.1866 -8.1866 -1.2530 -1.2530 3.4034 3.4034 3.4389 3.4389 3.9909 3.9909 4.5820 4.5820 4.9221 4.9221 5.2842 5.2842 5.6343 5.6343 5.6712 5.6712 8.5470 8.5470 8.5835 8.5835 8.7467 8.7467 14.8398 14.8398 17.9129 17.9129 19.5055 19.5055 20.3641 20.3641 k = 0.2857-0.0000-0.0000 ( 1866 PWs) bands (ev): -11.3149 -11.3149 -8.3593 -8.3593 -8.3231 -8.3231 -8.1662 -8.1662 -1.2285 -1.2285 3.2895 3.2895 3.3907 3.3907 4.0432 4.0432 4.5429 4.5429 4.8273 4.8273 5.3388 5.3388 5.6045 5.6045 5.6160 5.6160 8.5027 8.5027 8.5322 8.5322 8.7172 8.7172 14.9092 14.9092 17.9158 17.9158 19.5542 19.5542 20.4953 20.4953 k = 0.2946-0.0000-0.0000 ( 1866 PWs) bands (ev): -11.2560 -11.2560 -8.3594 -8.3594 -8.3292 -8.3292 -8.1460 -8.1460 -1.2020 -1.2020 3.1407 3.1407 3.3815 3.3815 4.0957 4.0957 4.4973 4.4973 4.7357 4.7357 5.3947 5.3947 5.5481 5.5481 5.5950 5.5950 8.4580 8.4580 8.4792 8.4792 8.6868 8.6868 14.9772 14.9772 17.9106 17.9106 19.6075 19.6075 20.6237 20.6237 k = 0.3036-0.0000-0.0000 ( 1866 PWs) bands (ev): -11.1957 -11.1957 -8.3925 -8.3925 -8.3047 -8.3047 -8.1260 -8.1260 -1.1732 -1.1732 2.9926 2.9926 3.3761 3.3761 4.1474 4.1474 4.4463 4.4463 4.6484 4.6484 5.4510 5.4510 5.4875 5.4875 5.5856 5.5856 8.4133 8.4133 8.4248 8.4248 8.6555 8.6555 15.0438 15.0438 17.8975 17.8975 19.6652 19.6652 20.7492 20.7492 k = 0.3125-0.0000-0.0000 ( 1866 PWs) bands (ev): -11.1341 -11.1341 -8.4291 -8.4291 -8.2791 -8.2791 -8.1064 -8.1064 -1.1421 -1.1421 2.8454 2.8454 3.3743 3.3743 4.1963 4.1963 4.3914 4.3914 4.5673 4.5673 5.4230 5.4230 5.5115 5.5115 5.5825 5.5825 8.3677 8.3677 8.3699 8.3699 8.6234 8.6234 15.1094 15.1094 17.8768 17.8768 19.7271 19.7271 20.8713 20.8713 k = 0.3214-0.0000-0.0000 ( 1862 PWs) bands (ev): -11.0712 -11.0712 -8.4681 -8.4681 -8.2536 -8.2536 -8.0872 -8.0872 -1.1085 -1.1085 2.6994 2.6994 3.3762 3.3762 4.2365 4.2365 4.3342 4.3342 4.4981 4.4981 5.3598 5.3598 5.5706 5.5706 5.5845 5.5845 8.3111 8.3111 8.3249 8.3249 8.5905 8.5905 15.1741 15.1741 17.8491 17.8491 19.7928 19.7928 20.9896 20.9896 k = 0.3304-0.0000-0.0000 ( 1862 PWs) bands (ev): -11.0072 -11.0072 -8.5095 -8.5095 -8.2284 -8.2284 -8.0686 -8.0686 -1.0724 -1.0724 2.5546 2.5546 3.3818 3.3818 4.2486 4.2486 4.2797 4.2797 4.4562 4.4562 5.2957 5.2957 5.5889 5.5889 5.6324 5.6324 8.2523 8.2523 8.2815 8.2815 8.5569 8.5569 15.2383 15.2383 17.8149 17.8149 19.8621 19.8621 21.1040 21.1040 k = 0.3393-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.9419 -10.9419 -8.5532 -8.5532 -8.2035 -8.2035 -8.0506 -8.0506 -1.0335 -1.0335 2.4114 2.4114 3.3909 3.3909 4.2059 4.2059 4.2365 4.2365 4.4610 4.4610 5.2309 5.2309 5.5965 5.5965 5.6945 5.6945 8.1921 8.1921 8.2390 8.2390 8.5226 8.5226 15.3020 15.3020 17.7746 17.7746 19.9347 19.9347 21.2142 21.2142 k = 0.3482-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.8756 -10.8756 -8.5991 -8.5991 -8.1791 -8.1791 -8.0333 -8.0333 -0.9919 -0.9919 2.2697 2.2697 3.4036 3.4036 4.1471 4.1471 4.1805 4.1805 4.4986 4.4986 5.1656 5.1656 5.6055 5.6055 5.7578 5.7578 8.1306 8.1306 8.1977 8.1977 8.4878 8.4878 15.3656 15.3656 17.7288 17.7288 20.0102 20.0102 21.3198 21.3198 k = 0.3571-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.8083 -10.8083 -8.6472 -8.6472 -8.1553 -8.1553 -8.0168 -8.0168 -0.9473 -0.9473 2.1297 2.1297 3.4198 3.4198 4.0876 4.0876 4.1172 4.1172 4.5491 4.5491 5.0998 5.0998 5.6151 5.6151 5.8222 5.8222 8.0678 8.0678 8.1580 8.1580 8.4526 8.4526 15.4292 15.4292 17.6779 17.6779 20.0885 20.0885 21.4209 21.4209 k = 0.3661-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.7400 -10.7400 -8.6976 -8.6976 -8.1321 -8.1321 -8.0011 -8.0011 -0.8998 -0.8998 1.9915 1.9915 3.4393 3.4393 4.0291 4.0291 4.0533 4.0533 4.6045 4.6045 5.0337 5.0337 5.6244 5.6244 5.8876 5.8876 8.0039 8.0039 8.1201 8.1201 8.4170 8.4170 15.4929 15.4929 17.6226 17.6226 20.1693 20.1693 21.5171 21.5171 k = 0.3750-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.6708 -10.6708 -8.7500 -8.7500 -8.1097 -8.1097 -7.9864 -7.9864 -0.8491 -0.8491 1.8552 1.8552 3.4622 3.4622 3.9724 3.9724 3.9914 3.9914 4.6622 4.6622 4.9673 4.9673 5.6328 5.6328 5.9540 5.9540 7.9388 7.9388 8.0845 8.0845 8.3812 8.3812 15.5570 15.5570 17.5633 17.5633 20.2522 20.2522 21.6084 21.6084 k = 0.3839-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.6009 -10.6009 -8.8045 -8.8045 -8.0881 -8.0881 -7.9727 -7.9727 -0.7953 -0.7953 1.7211 1.7211 3.4882 3.4882 3.9179 3.9179 3.9325 3.9325 4.7208 4.7208 4.9010 4.9010 5.6397 5.6397 6.0213 6.0213 7.8727 7.8727 8.0513 8.0513 8.3452 8.3452 15.6216 15.6216 17.5005 17.5005 20.3371 20.3371 21.6947 21.6947 k = 0.3929-0.0000-0.0000 ( 1858 PWs) bands (ev): -10.5301 -10.5301 -8.8609 -8.8609 -8.0673 -8.0673 -7.9600 -7.9600 -0.7383 -0.7383 1.5890 1.5890 3.5172 3.5172 3.8661 3.8661 3.8771 3.8771 4.7782 4.7782 4.8365 4.8365 5.6444 5.6444 6.0894 6.0894 7.8056 7.8056 8.0211 8.0211 8.3094 8.3094 15.6868 15.6868 17.4347 17.4347 20.4237 20.4237 21.7758 21.7758 k = 0.4018-0.0000-0.0000 ( 1862 PWs) bands (ev): -10.4587 -10.4587 -8.9193 -8.9193 -8.0475 -8.0475 -7.9485 -7.9485 -0.6780 -0.6780 1.4593 1.4593 3.5492 3.5492 3.8171 3.8171 3.8259 3.8259 4.7643 4.7643 4.8433 4.8433 5.6466 5.6466 6.1583 6.1583 7.7376 7.7376 7.9940 7.9940 8.2737 8.2737 15.7527 15.7527 17.3663 17.3663 20.5117 20.5117 21.8516 21.8516 k = 0.4107-0.0000-0.0000 ( 1862 PWs) bands (ev): -10.3867 -10.3867 -8.9794 -8.9794 -8.0287 -8.0287 -7.9381 -7.9381 -0.6145 -0.6145 1.3318 1.3318 3.5838 3.5838 3.7713 3.7713 3.7790 3.7790 4.6991 4.6991 4.9014 4.9014 5.6458 5.6458 6.2280 6.2280 7.6687 7.6687 7.9704 7.9704 8.2383 8.2383 15.8195 15.8195 17.2957 17.2957 20.6011 20.6011 21.9218 21.9218 k = 0.4196-0.0000-0.0000 ( 1862 PWs) bands (ev): -10.3143 -10.3143 -9.0412 -9.0412 -8.0111 -8.0111 -7.9291 -7.9291 -0.5476 -0.5476 1.2068 1.2068 3.6205 3.6205 3.7291 3.7291 3.7371 3.7371 4.6331 4.6331 4.9601 4.9601 5.6416 5.6416 6.2982 6.2982 7.5991 7.5991 7.9505 7.9505 8.2035 8.2035 15.8872 15.8872 17.2232 17.2232 20.6916 20.6916 21.9858 21.9858 k = 0.4286-0.0000-0.0000 ( 1848 PWs) bands (ev): -10.2414 -10.2414 -9.1046 -9.1046 -7.9946 -7.9946 -7.9213 -7.9213 -0.4773 -0.4773 1.0843 1.0843 3.6560 3.6560 3.6908 3.6908 3.7034 3.7034 4.5673 4.5673 5.0183 5.0183 5.6337 5.6337 6.3692 6.3692 7.5288 7.5288 7.9345 7.9345 8.1695 8.1695 15.9558 15.9558 17.1493 17.1493 20.7830 20.7830 22.0412 22.0412 k = 0.4375-0.0000-0.0000 ( 1846 PWs) bands (ev): -10.1682 -10.1682 -9.1695 -9.1695 -7.9793 -7.9793 -7.9149 -7.9149 -0.4037 -0.4037 0.9644 0.9644 3.6545 3.6545 3.6573 3.6573 3.7127 3.7127 4.5019 4.5019 5.0755 5.0755 5.6219 5.6219 6.4406 6.4406 7.4578 7.4578 7.9227 7.9227 8.1365 8.1365 16.0253 16.0253 17.0743 17.0743 20.8751 20.8751 22.0752 22.0752 k = 0.4464-0.0000-0.0000 ( 1846 PWs) bands (ev): -10.0948 -10.0948 -9.2358 -9.2358 -7.9653 -7.9653 -7.9099 -7.9099 -0.3268 -0.3268 0.8472 0.8472 3.6261 3.6261 3.6291 3.6291 3.7546 3.7546 4.4371 4.4371 5.1316 5.1316 5.6060 5.6060 6.5125 6.5125 7.3863 7.3863 7.9150 7.9150 8.1046 8.1046 16.0959 16.0959 16.9984 16.9984 20.9677 20.9677 22.0478 22.0478 k = 0.4554-0.0000-0.0000 ( 1848 PWs) bands (ev): -10.0212 -10.0212 -9.3033 -9.3033 -7.9527 -7.9527 -7.9063 -7.9063 -0.2465 -0.2465 0.7327 0.7327 3.6009 3.6009 3.6042 3.6042 3.8013 3.8013 4.3730 4.3730 5.1861 5.1861 5.5859 5.5859 6.5848 6.5848 7.3143 7.3143 7.9115 7.9115 8.0742 8.0742 16.1675 16.1675 16.9218 16.9218 21.0607 21.0607 21.9742 21.9742 k = 0.4643-0.0000-0.0000 ( 1846 PWs) bands (ev): -9.9477 -9.9477 -9.3720 -9.3720 -7.9414 -7.9414 -7.9042 -7.9042 -0.1629 -0.1629 0.6210 0.6210 3.5802 3.5802 3.5832 3.5832 3.8507 3.8507 4.3098 4.3098 5.2388 5.2388 5.5618 5.5618 6.6574 6.6574 7.2420 7.2420 7.9122 7.9122 8.0455 8.0455 16.2400 16.2400 16.8450 16.8450 21.1539 21.1539 21.8893 21.8893 k = 0.4732-0.0000-0.0000 ( 1844 PWs) bands (ev): -9.8742 -9.8742 -9.4416 -9.4416 -7.9315 -7.9315 -7.9036 -7.9036 -0.0761 -0.0761 0.5123 0.5123 3.5641 3.5641 3.5667 3.5667 3.9023 3.9023 4.2476 4.2476 5.2895 5.2895 5.5335 5.5335 6.7303 6.7303 7.1692 7.1692 7.9170 7.9170 8.0188 8.0188 16.3134 16.3134 16.7680 16.7680 21.2473 21.2473 21.8006 21.8006 k = 0.4821-0.0000-0.0000 ( 1840 PWs) bands (ev): -9.8010 -9.8010 -9.5122 -9.5122 -7.9231 -7.9231 -7.9045 -7.9045 0.0141 0.0141 0.4065 0.4065 3.5528 3.5528 3.5546 3.5546 3.9558 3.9558 4.1865 4.1865 5.3377 5.3377 5.5013 5.5013 6.8034 6.8034 7.0963 7.0963 7.9256 7.9256 7.9944 7.9944 16.3876 16.3876 16.6912 16.6912 21.3406 21.3406 21.7102 21.7102 k = 0.4911-0.0000-0.0000 ( 1840 PWs) bands (ev): -9.7280 -9.7280 -9.5835 -9.5835 -7.9162 -7.9162 -7.9069 -7.9069 0.1075 0.1075 0.3037 0.3037 3.5462 3.5462 3.5471 3.5471 4.0111 4.0111 4.1266 4.1266 5.3834 5.3834 5.4654 5.4654 6.8766 6.8766 7.0231 7.0231 7.9379 7.9379 7.9726 7.9726 16.4626 16.4626 16.6145 16.6145 21.4337 21.4337 21.6187 21.6187 k = 0.5000-0.0000-0.0000 ( 1840 PWs) bands (ev): -9.6555 -9.6555 -9.6555 -9.6555 -7.9108 -7.9108 -7.9108 -7.9108 0.2040 0.2040 0.2040 0.2040 3.5443 3.5443 3.5443 3.5443 4.0681 4.0681 4.0681 4.0681 5.4260 5.4260 5.4260 5.4260 6.9499 6.9499 6.9499 6.9499 7.9537 7.9537 7.9537 7.9537 16.5383 16.5383 16.5383 16.5383 21.5265 21.5265 21.5265 21.5265 k = 0.5000-0.0000-0.0000 ( 1840 PWs) bands (ev): -9.6555 -9.6555 -9.6555 -9.6555 -7.9108 -7.9108 -7.9108 -7.9108 0.2040 0.2040 0.2040 0.2040 3.5443 3.5443 3.5443 3.5443 4.0681 4.0681 4.0681 4.0681 5.4260 5.4260 5.4260 5.4260 6.9499 6.9499 6.9499 6.9499 7.9537 7.9537 7.9537 7.9537 16.5383 16.5383 16.5383 16.5383 21.5265 21.5265 21.5265 21.5265 k = 0.5000 0.0088-0.0000 ( 1840 PWs) bands (ev): -9.6552 -9.6552 -9.6547 -9.6547 -7.9116 -7.9116 -7.9113 -7.9113 0.2042 0.2042 0.2049 0.2049 3.5367 3.5367 3.5418 3.5418 4.0685 4.0685 4.0702 4.0702 5.4288 5.4288 5.4294 5.4294 6.9491 6.9491 6.9493 6.9493 7.9556 7.9556 7.9561 7.9561 16.5386 16.5386 16.5397 16.5397 21.5020 21.5020 21.5314 21.5314 k = 0.5000 0.0176-0.0000 ( 1840 PWs) bands (ev): -9.6538 -9.6538 -9.6529 -9.6529 -7.9137 -7.9137 -7.9131 -7.9131 0.2055 0.2055 0.2068 0.2068 3.5194 3.5194 3.5293 3.5293 4.0712 4.0712 4.0743 4.0743 5.4376 5.4376 5.4389 5.4389 6.9469 6.9469 6.9474 6.9474 7.9617 7.9617 7.9628 7.9628 16.5404 16.5404 16.5426 16.5426 21.4602 21.4602 21.5163 21.5163 k = 0.5000 0.0263-0.0000 ( 1844 PWs) bands (ev): -9.6513 -9.6513 -9.6501 -9.6501 -7.9171 -7.9171 -7.9162 -7.9162 0.2078 0.2078 0.2097 0.2097 3.4936 3.4936 3.5078 3.5078 4.0755 4.0755 4.0795 4.0795 5.4525 5.4525 5.4545 5.4545 6.9434 6.9434 6.9441 6.9441 7.9721 7.9721 7.9737 7.9737 16.5438 16.5438 16.5471 16.5471 21.4043 21.4043 21.4829 21.4829 k = 0.5000 0.0351-0.0000 ( 1844 PWs) bands (ev): -9.6478 -9.6478 -9.6461 -9.6461 -7.9218 -7.9218 -7.9206 -7.9206 0.2111 0.2111 0.2137 0.2137 3.4604 3.4604 3.4784 3.4784 4.0803 4.0803 4.0848 4.0848 5.4734 5.4734 5.4759 5.4759 6.9387 6.9387 6.9397 6.9397 7.9864 7.9864 7.9886 7.9886 16.5488 16.5488 16.5532 16.5532 21.3373 21.3373 21.4339 21.4339 k = 0.5000 0.0439-0.0000 ( 1844 PWs) bands (ev): -9.6433 -9.6433 -9.6411 -9.6411 -7.9277 -7.9277 -7.9262 -7.9262 0.2155 0.2155 0.2187 0.2187 3.4211 3.4211 3.4423 3.4423 4.0846 4.0846 4.0890 4.0890 5.5000 5.5000 5.5030 5.5030 6.9329 6.9329 6.9341 6.9341 8.0046 8.0046 8.0072 8.0072 16.5553 16.5553 16.5608 16.5608 21.2618 21.2618 21.3728 21.3728 k = 0.5000 0.0527-0.0000 ( 1844 PWs) bands (ev): -9.6377 -9.6377 -9.6351 -9.6351 -7.9349 -7.9349 -7.9332 -7.9332 0.2210 0.2210 0.2248 0.2248 3.3770 3.3770 3.4010 3.4010 4.0874 4.0874 4.0915 4.0915 5.5321 5.5321 5.5355 5.5355 6.9260 6.9260 6.9276 6.9276 8.0263 8.0263 8.0294 8.0294 16.5632 16.5632 16.5697 16.5697 21.1799 21.1799 21.3023 21.3023 k = 0.5000 0.0615-0.0000 ( 1850 PWs) bands (ev): -9.6311 -9.6311 -9.6281 -9.6281 -7.9433 -7.9433 -7.9413 -7.9413 0.2275 0.2275 0.2319 0.2319 3.3289 3.3289 3.3553 3.3553 4.0882 4.0882 4.0917 4.0917 5.5692 5.5692 5.5728 5.5728 6.9185 6.9185 6.9204 6.9204 8.0513 8.0513 8.0547 8.0547 16.5725 16.5725 16.5801 16.5801 21.0930 21.0930 21.2247 21.2247 k = 0.5000 0.0702-0.0000 ( 1842 PWs) bands (ev): -9.6234 -9.6234 -9.6200 -9.6200 -7.9529 -7.9529 -7.9507 -7.9507 0.2351 0.2351 0.2401 0.2401 3.2777 3.2777 3.3063 3.3063 4.0866 4.0866 4.0894 4.0894 5.6109 5.6109 5.6146 5.6146 6.9104 6.9104 6.9128 6.9128 8.0791 8.0791 8.0829 8.0829 16.5831 16.5831 16.5917 16.5917 21.0026 21.0026 21.1420 21.1420 k = 0.5000 0.0790-0.0000 ( 1838 PWs) bands (ev): -9.6148 -9.6148 -9.6110 -9.6110 -7.9637 -7.9637 -7.9613 -7.9613 0.2438 0.2438 0.2493 0.2493 3.2240 3.2240 3.2545 3.2545 4.0826 4.0826 4.0845 4.0845 5.6565 5.6565 5.6601 5.6601 6.9022 6.9022 6.9050 6.9050 8.1094 8.1094 8.1135 8.1135 16.5949 16.5949 16.6044 16.6044 20.9094 20.9094 21.0553 21.0553 k = 0.5000 0.0878-0.0000 ( 1838 PWs) bands (ev): -9.6053 -9.6053 -9.6010 -9.6010 -7.9756 -7.9756 -7.9730 -7.9730 0.2536 0.2536 0.2595 0.2595 3.1684 3.1684 3.2005 3.2005 4.0761 4.0761 4.0772 4.0772 5.7053 5.7053 5.7086 5.7086 6.8943 6.8943 6.8976 6.8976 8.1418 8.1418 8.1461 8.1461 16.6077 16.6077 16.6183 16.6183 20.8142 20.8142 20.9658 20.9658 k = 0.5000 0.0966-0.0000 ( 1842 PWs) bands (ev): -9.5948 -9.5948 -9.5900 -9.5900 -7.9887 -7.9887 -7.9858 -7.9858 0.2644 0.2644 0.2708 0.2708 3.1111 3.1111 3.1449 3.1449 4.0674 4.0674 4.0678 4.0678 5.7563 5.7563 5.7592 5.7592 6.8871 6.8871 6.8910 6.8910 8.1759 8.1759 8.1804 8.1804 16.6216 16.6216 16.6331 16.6331 20.7177 20.7177 20.8742 20.8742 k = 0.5000 0.1054-0.0000 ( 1842 PWs) bands (ev): -9.5834 -9.5834 -9.5782 -9.5782 -8.0027 -8.0027 -7.9997 -7.9997 0.2764 0.2764 0.2832 0.2832 3.0526 3.0526 3.0879 3.0879 4.0564 4.0564 4.0568 4.0568 5.8088 5.8088 5.8109 5.8109 6.8812 6.8812 6.8859 6.8859 8.2112 8.2112 8.2159 8.2159 16.6362 16.6362 16.6487 16.6487 20.6203 20.6203 20.7814 20.7814 k = 0.5000 0.1141-0.0000 ( 1844 PWs) bands (ev): -9.5711 -9.5711 -9.5654 -9.5654 -8.0178 -8.0178 -8.0146 -8.0146 0.2894 0.2894 0.2965 0.2965 2.9932 2.9932 3.0299 3.0299 4.0435 4.0435 4.0446 4.0446 5.8615 5.8615 5.8627 5.8627 6.8774 6.8774 6.8830 6.8830 8.2473 8.2473 8.2521 8.2521 16.6517 16.6517 16.6650 16.6650 20.5226 20.5226 20.6878 20.6878 k = 0.5000 0.1229-0.0000 ( 1844 PWs) bands (ev): -9.5580 -9.5580 -9.5519 -9.5519 -8.0338 -8.0338 -8.0305 -8.0305 0.3035 0.3035 0.3109 0.3109 2.9331 2.9331 2.9712 2.9712 4.0295 4.0295 4.0312 4.0312 5.9132 5.9132 5.9133 5.9133 6.8766 6.8766 6.8831 6.8831 8.2838 8.2838 8.2887 8.2887 16.6679 16.6679 16.6820 16.6820 20.4249 20.4249 20.5939 20.5939 k = 0.5000 0.1317-0.0000 ( 1844 PWs) bands (ev): -9.5440 -9.5440 -9.5375 -9.5375 -8.0507 -8.0507 -8.0472 -8.0472 0.3186 0.3186 0.3264 0.3264 2.8724 2.8724 2.9119 2.9119 4.0146 4.0146 4.0169 4.0169 5.9616 5.9616 5.9628 5.9628 6.8797 6.8797 6.8872 6.8872 8.3203 8.3203 8.3253 8.3253 16.6847 16.6847 16.6996 16.6996 20.3277 20.3277 20.5002 20.5002 k = 0.5000 0.1405-0.0000 ( 1856 PWs) bands (ev): -9.5294 -9.5294 -9.5224 -9.5224 -8.0684 -8.0684 -8.0649 -8.0649 0.3349 0.3349 0.3428 0.3428 2.8115 2.8115 2.8523 2.8523 3.9992 3.9992 4.0019 4.0019 6.0061 6.0061 6.0088 6.0088 6.8879 6.8879 6.8964 6.8964 8.3563 8.3563 8.3614 8.3614 16.7018 16.7018 16.7175 16.7175 20.2312 20.2312 20.4071 20.4071 k = 0.5000 0.1492-0.0000 ( 1856 PWs) bands (ev): -9.5140 -9.5140 -9.5066 -9.5066 -8.0869 -8.0869 -8.0833 -8.0833 0.3521 0.3521 0.3602 0.3602 2.7504 2.7504 2.7925 2.7925 3.9836 3.9836 3.9868 3.9868 6.0458 6.0458 6.0499 6.0499 6.9020 6.9020 6.9115 6.9115 8.3916 8.3916 8.3967 8.3967 16.7194 16.7194 16.7358 16.7358 20.1359 20.1359 20.3150 20.3150 k = 0.5000 0.1580-0.0000 ( 1864 PWs) bands (ev): -9.4980 -9.4980 -9.4901 -9.4901 -8.1061 -8.1061 -8.1024 -8.1024 0.3704 0.3704 0.3785 0.3785 2.6894 2.6894 2.7327 2.7327 3.9680 3.9680 3.9715 3.9715 6.0794 6.0794 6.0850 6.0850 6.9231 6.9231 6.9335 6.9335 8.4257 8.4257 8.4308 8.4308 16.7372 16.7372 16.7542 16.7542 20.0420 20.0420 20.2241 20.2241 k = 0.5000 0.1668-0.0000 ( 1860 PWs) bands (ev): -9.4815 -9.4815 -9.4730 -9.4730 -8.1258 -8.1258 -8.1222 -8.1222 0.3896 0.3896 0.3977 0.3977 2.6286 2.6286 2.6732 2.6732 3.9527 3.9527 3.9565 3.9565 6.1065 6.1065 6.1133 6.1133 6.9516 6.9516 6.9626 6.9626 8.4582 8.4582 8.4634 8.4634 16.7552 16.7552 16.7728 16.7728 19.9499 19.9499 20.1348 20.1348 k = 0.5000 0.1756-0.0000 ( 1856 PWs) bands (ev): -9.4644 -9.4644 -9.4555 -9.4555 -8.1460 -8.1460 -8.1424 -8.1424 0.4098 0.4098 0.4178 0.4178 2.5681 2.5681 2.6141 2.6141 3.9378 3.9378 3.9419 3.9419 6.1267 6.1267 6.1346 6.1346 6.9875 6.9875 6.9990 6.9990 8.4889 8.4889 8.4942 8.4942 16.7733 16.7733 16.7914 16.7914 19.8599 19.8599 20.0476 20.0476 k = 0.5000 0.1844-0.0000 ( 1856 PWs) bands (ev): -9.4469 -9.4469 -9.4375 -9.4375 -8.1667 -8.1667 -8.1631 -8.1631 0.4309 0.4309 0.4387 0.4387 2.5083 2.5083 2.5555 2.5555 3.9235 3.9235 3.9279 3.9279 6.1404 6.1404 6.1491 6.1491 7.0305 7.0305 7.0420 7.0420 8.5175 8.5175 8.5229 8.5229 16.7914 16.7914 16.8099 16.8099 19.7722 19.7722 19.9626 19.9626 k = 0.5000 0.1931-0.0000 ( 1862 PWs) bands (ev): -9.4290 -9.4290 -9.4192 -9.4192 -8.1876 -8.1876 -8.1841 -8.1841 0.4527 0.4527 0.4603 0.4603 2.4492 2.4492 2.4977 2.4977 3.9100 3.9100 3.9145 3.9145 6.1481 6.1481 6.1575 6.1575 7.0796 7.0796 7.0910 7.0910 8.5437 8.5437 8.5491 8.5491 16.8094 16.8094 16.8282 16.8282 19.6872 19.6872 19.8802 19.8802 k = 0.5000 0.2019-0.0000 ( 1866 PWs) bands (ev): -9.4110 -9.4110 -9.4006 -9.4006 -8.2087 -8.2087 -8.2054 -8.2054 0.4753 0.4753 0.4825 0.4825 2.3910 2.3910 2.4409 2.4409 3.8972 3.8972 3.9019 3.9019 6.1509 6.1509 6.1606 6.1606 7.1337 7.1337 7.1446 7.1446 8.5673 8.5673 8.5728 8.5728 16.8272 16.8272 16.8462 16.8462 19.6052 19.6052 19.8006 19.8006 k = 0.5000 0.2107-0.0000 ( 1870 PWs) bands (ev): -9.3928 -9.3928 -9.3819 -9.3819 -8.2299 -8.2299 -8.2266 -8.2266 0.4984 0.4984 0.5052 0.5052 2.3340 2.3340 2.3852 2.3852 3.8853 3.8853 3.8901 3.8901 6.1495 6.1495 6.1595 6.1595 7.1916 7.1916 7.2018 7.2018 8.5880 8.5880 8.5937 8.5937 16.8447 16.8447 16.8639 16.8639 19.5264 19.5264 19.7242 19.7242 k = 0.5000 0.2195-0.0000 ( 1862 PWs) bands (ev): -9.3745 -9.3745 -9.3631 -9.3631 -8.2509 -8.2509 -8.2479 -8.2479 0.5221 0.5221 0.5283 0.5283 2.2784 2.2784 2.3310 2.3310 3.8744 3.8744 3.8793 3.8793 6.1450 6.1450 6.1552 6.1552 7.2520 7.2520 7.2614 7.2614 8.6058 8.6058 8.6118 8.6118 16.8619 16.8619 16.8812 16.8812 19.4511 19.4511 19.6513 19.6513 k = 0.5000 0.2283-0.0000 ( 1862 PWs) bands (ev): -9.3564 -9.3564 -9.3445 -9.3445 -8.2717 -8.2717 -8.2689 -8.2689 0.5460 0.5460 0.5515 0.5515 2.2244 2.2244 2.2785 2.2785 3.8644 3.8644 3.8693 3.8693 6.1383 6.1383 6.1485 6.1485 7.3138 7.3138 7.3222 7.3222 8.6206 8.6206 8.6268 8.6268 16.8786 16.8786 16.8979 16.8979 19.3797 19.3797 19.5821 19.5821 k = 0.5000 0.2370-0.0000 ( 1864 PWs) bands (ev): -9.3387 -9.3387 -9.3262 -9.3262 -8.2921 -8.2921 -8.2895 -8.2895 0.5700 0.5700 0.5748 0.5748 2.1724 2.1724 2.2280 2.2280 3.8553 3.8553 3.8603 3.8603 6.1299 6.1299 6.1401 6.1401 7.3759 7.3759 7.3833 7.3833 8.6323 8.6323 8.6388 8.6388 16.8948 16.8948 16.9140 16.9140 19.3124 19.3124 19.5170 19.5170 k = 0.5000 0.2458-0.0000 ( 1864 PWs) bands (ev): -9.3213 -9.3213 -9.3084 -9.3084 -8.3118 -8.3118 -8.3095 -8.3095 0.5940 0.5940 0.5979 0.5979 2.1226 2.1226 2.1797 2.1797 3.8471 3.8471 3.8522 3.8522 6.1206 6.1206 6.1308 6.1308 7.4373 7.4373 7.4436 7.4436 8.6411 8.6411 8.6479 8.6479 16.9103 16.9103 16.9293 16.9293 19.2495 19.2495 19.4563 19.4563 k = 0.5000 0.2546-0.0000 ( 1864 PWs) bands (ev): -9.3046 -9.3046 -9.2911 -9.2911 -8.3307 -8.3307 -8.3287 -8.3287 0.6175 0.6175 0.6205 0.6205 2.0755 2.0755 2.1341 2.1341 3.8399 3.8399 3.8450 3.8450 6.1109 6.1109 6.1210 6.1210 7.4971 7.4971 7.5023 7.5023 8.6469 8.6469 8.6542 8.6542 16.9250 16.9250 16.9437 16.9437 19.1914 19.1914 19.4001 19.4001 k = 0.5000 0.2634-0.0000 ( 1862 PWs) bands (ev): -9.2887 -9.2887 -9.2748 -9.2748 -8.3486 -8.3486 -8.3469 -8.3469 0.6403 0.6403 0.6423 0.6423 2.0313 2.0313 2.0915 2.0915 3.8335 3.8335 3.8387 3.8387 6.1012 6.1012 6.1112 6.1112 7.5543 7.5543 7.5584 7.5584 8.6501 8.6501 8.6579 8.6579 16.9387 16.9387 16.9571 16.9571 19.1383 19.1383 19.3489 19.3489 k = 0.5000 0.2722-0.0000 ( 1866 PWs) bands (ev): -9.2740 -9.2740 -9.2595 -9.2595 -8.3653 -8.3653 -8.3638 -8.3638 0.6621 0.6621 0.6629 0.6629 1.9906 1.9906 2.0523 2.0523 3.8280 3.8280 3.8332 3.8332 6.0919 6.0919 6.1018 6.1018 7.6081 7.6081 7.6110 7.6110 8.6509 8.6509 8.6592 8.6592 16.9514 16.9514 16.9694 16.9694 19.0906 19.0906 19.3029 19.3029 k = 0.5000 0.2809-0.0000 ( 1874 PWs) bands (ev): -9.2605 -9.2605 -9.2456 -9.2456 -8.3804 -8.3804 -8.3792 -8.3792 0.6821 0.6821 0.6823 0.6823 1.9538 1.9538 2.0170 2.0170 3.8234 3.8234 3.8286 3.8286 6.0832 6.0832 6.0931 6.0931 7.6575 7.6575 7.6593 7.6593 8.6497 8.6497 8.6586 8.6586 16.9627 16.9627 16.9804 16.9804 19.0484 19.0484 19.2624 19.2624 k = 0.5000 0.2897-0.0000 ( 1870 PWs) bands (ev): -9.2485 -9.2485 -9.2332 -9.2332 -8.3937 -8.3937 -8.3928 -8.3928 0.6993 0.6993 0.7006 0.7006 1.9213 1.9213 1.9860 1.9860 3.8195 3.8195 3.8247 3.8247 6.0755 6.0755 6.0854 6.0854 7.7017 7.7017 7.7024 7.7024 8.6471 8.6471 8.6566 8.6566 16.9727 16.9727 16.9900 16.9900 19.0122 19.0122 19.2276 19.2276 k = 0.5000 0.2985-0.0000 ( 1870 PWs) bands (ev): -9.2383 -9.2383 -9.2226 -9.2226 -8.4051 -8.4051 -8.4044 -8.4044 0.7142 0.7142 0.7165 0.7165 1.8939 1.8939 1.9598 1.9598 3.8164 3.8164 3.8216 3.8216 6.0690 6.0690 6.0788 6.0788 7.7393 7.7393 7.7396 7.7396 8.6436 8.6436 8.6537 8.6537 16.9811 16.9811 16.9980 16.9980 18.9822 18.9822 19.1988 19.1988 k = 0.5000 0.3073-0.0000 ( 1870 PWs) bands (ev): -9.2301 -9.2301 -9.2141 -9.2141 -8.4142 -8.4142 -8.4137 -8.4137 0.7263 0.7263 0.7295 0.7295 1.8718 1.8718 1.9389 1.9389 3.8140 3.8140 3.8192 3.8192 6.0637 6.0637 6.0735 6.0735 7.7692 7.7692 7.7703 7.7703 8.6399 8.6399 8.6505 8.6505 16.9878 16.9878 17.0044 17.0044 18.9586 18.9586 19.1762 19.1762 k = 0.5000 0.3161-0.0000 ( 1872 PWs) bands (ev): -9.2241 -9.2241 -9.2079 -9.2079 -8.4208 -8.4208 -8.4206 -8.4206 0.7352 0.7352 0.7391 0.7391 1.8557 1.8557 1.9236 1.9236 3.8123 3.8123 3.8175 3.8175 6.0599 6.0599 6.0696 6.0696 7.7912 7.7912 7.7930 7.7930 8.6366 8.6366 8.6477 8.6477 16.9927 16.9927 17.0091 17.0091 18.9416 18.9416 19.1599 19.1599 k = 0.5000 0.3248-0.0000 ( 1872 PWs) bands (ev): -9.2204 -9.2204 -9.2041 -9.2041 -8.4249 -8.4249 -8.4247 -8.4247 0.7407 0.7407 0.7451 0.7451 1.8458 1.8458 1.9143 1.9143 3.8113 3.8113 3.8165 3.8165 6.0575 6.0575 6.0672 6.0672 7.8048 7.8048 7.8070 7.8070 8.6344 8.6344 8.6458 8.6458 16.9957 16.9957 17.0119 17.0119 18.9314 18.9314 19.1500 19.1500 k = 0.5000 0.3336-0.0000 ( 1872 PWs) bands (ev): -9.2192 -9.2192 -9.2028 -9.2028 -8.4263 -8.4263 -8.4261 -8.4261 0.7426 0.7426 0.7471 0.7471 1.8425 1.8425 1.9111 1.9111 3.8109 3.8109 3.8161 3.8161 6.0567 6.0567 6.0665 6.0665 7.8093 7.8093 7.8117 7.8117 8.6337 8.6337 8.6451 8.6451 16.9967 16.9967 17.0129 17.0129 18.9279 18.9279 19.1467 19.1467 k = 0.5000 0.3336-0.0000 ( 1872 PWs) bands (ev): -9.2192 -9.2192 -9.2028 -9.2028 -8.4263 -8.4263 -8.4261 -8.4261 0.7426 0.7426 0.7471 0.7471 1.8425 1.8425 1.9111 1.9111 3.8109 3.8109 3.8161 3.8161 6.0567 6.0567 6.0665 6.0665 7.8093 7.8093 7.8117 7.8117 8.6337 8.6337 8.6451 8.6451 16.9967 16.9967 17.0129 17.0129 18.9279 18.9279 19.1467 19.1467 k = 0.4911 0.3336-0.0000 ( 1868 PWs) bands (ev): -9.2228 -9.2228 -9.2065 -9.2065 -8.4237 -8.4237 -8.4237 -8.4237 0.7438 0.7438 0.7483 0.7483 1.8427 1.8427 1.9113 1.9113 3.8121 3.8121 3.8173 3.8173 6.0590 6.0590 6.0687 6.0687 7.8079 7.8079 7.8103 7.8103 8.6344 8.6344 8.6459 8.6459 16.9963 16.9963 17.0125 17.0125 18.9289 18.9289 19.1478 19.1478 k = 0.4821 0.3336-0.0000 ( 1864 PWs) bands (ev): -9.2335 -9.2335 -9.2175 -9.2175 -8.4167 -8.4167 -8.4164 -8.4164 0.7476 0.7476 0.7521 0.7521 1.8431 1.8431 1.9117 1.9117 3.8157 3.8157 3.8207 3.8207 6.0658 6.0658 6.0754 6.0754 7.8036 7.8036 7.8061 7.8061 8.6367 8.6367 8.6481 8.6481 16.9952 16.9952 17.0113 17.0113 18.9319 18.9319 19.1508 19.1508 k = 0.4732 0.3336-0.0000 ( 1870 PWs) bands (ev): -9.2508 -9.2508 -9.2352 -9.2352 -8.4054 -8.4054 -8.4046 -8.4046 0.7538 0.7538 0.7583 0.7583 1.8438 1.8438 1.9123 1.9123 3.8217 3.8217 3.8266 3.8266 6.0770 6.0770 6.0864 6.0864 7.7965 7.7965 7.7992 7.7992 8.6404 8.6404 8.6516 8.6516 16.9932 16.9932 17.0092 17.0092 18.9369 18.9369 19.1559 19.1559 k = 0.4643 0.3336-0.0000 ( 1870 PWs) bands (ev): -9.2740 -9.2740 -9.2591 -9.2591 -8.3905 -8.3905 -8.3891 -8.3891 0.7624 0.7624 0.7669 0.7669 1.8448 1.8448 1.9132 1.9132 3.8303 3.8303 3.8350 3.8350 6.0926 6.0926 6.1017 6.1017 7.7867 7.7867 7.7898 7.7898 8.6455 8.6455 8.6565 8.6565 16.9905 16.9905 17.0063 17.0063 18.9440 18.9440 19.1630 19.1630 k = 0.4554 0.3336-0.0000 ( 1870 PWs) bands (ev): -9.3025 -9.3025 -9.2883 -9.2883 -8.3727 -8.3727 -8.3707 -8.3707 0.7733 0.7733 0.7779 0.7779 1.8459 1.8459 1.9143 1.9143 3.8417 3.8417 3.8461 3.8461 6.1122 6.1122 6.1210 6.1210 7.7744 7.7744 7.7779 7.7779 8.6518 8.6518 8.6626 8.6626 16.9868 16.9868 17.0025 17.0025 18.9530 18.9530 19.1721 19.1721 k = 0.4464 0.3336-0.0000 ( 1856 PWs) bands (ev): -9.3355 -9.3355 -9.3220 -9.3220 -8.3528 -8.3528 -8.3500 -8.3500 0.7865 0.7865 0.7912 0.7912 1.8474 1.8474 1.9156 1.9156 3.8562 3.8562 3.8603 3.8603 6.1358 6.1358 6.1441 6.1441 7.7598 7.7598 7.7637 7.7637 8.6593 8.6593 8.6698 8.6698 16.9823 16.9823 16.9977 16.9977 18.9639 18.9639 19.1832 19.1832 k = 0.4375 0.3336-0.0000 ( 1856 PWs) bands (ev): -9.3722 -9.3722 -9.3595 -9.3595 -8.3313 -8.3313 -8.3279 -8.3279 0.8018 0.8018 0.8065 0.8065 1.8490 1.8490 1.9172 1.9172 3.8739 3.8739 3.8777 3.8777 6.1629 6.1629 6.1708 6.1708 7.7430 7.7430 7.7475 7.7475 8.6676 8.6676 8.6779 8.6779 16.9767 16.9767 16.9918 16.9918 18.9769 18.9769 19.1963 19.1963 k = 0.4286 0.3336-0.0000 ( 1868 PWs) bands (ev): -9.4121 -9.4121 -9.4001 -9.4001 -8.3090 -8.3090 -8.3048 -8.3048 0.8190 0.8190 0.8237 0.8237 1.8510 1.8510 1.9190 1.9190 3.8952 3.8952 3.8986 3.8986 6.1934 6.1934 6.2008 6.2008 7.7242 7.7242 7.7293 7.7293 8.6768 8.6768 8.6868 8.6868 16.9699 16.9699 16.9848 16.9848 18.9918 18.9918 19.2114 19.2114 k = 0.4196 0.3336-0.0000 ( 1868 PWs) bands (ev): -9.4546 -9.4546 -9.4433 -9.4433 -8.2862 -8.2862 -8.2814 -8.2814 0.8378 0.8378 0.8427 0.8427 1.8535 1.8535 1.9212 1.9212 3.9201 3.9201 3.9232 3.9232 6.2268 6.2268 6.2337 6.2337 7.7038 7.7038 7.7095 7.7095 8.6867 8.6867 8.6964 8.6964 16.9620 16.9620 16.9765 16.9765 19.0087 19.0087 19.2285 19.2285 k = 0.4107 0.3336-0.0000 ( 1868 PWs) bands (ev): -9.4992 -9.4992 -9.4885 -9.4885 -8.2635 -8.2635 -8.2581 -8.2581 0.8581 0.8581 0.8630 0.8630 1.8566 1.8566 1.9241 1.9241 3.9490 3.9490 3.9518 3.9518 6.2629 6.2629 6.2692 6.2692 7.6819 7.6819 7.6882 7.6882 8.6972 8.6972 8.7066 8.7066 16.9527 16.9527 16.9668 16.9668 19.0274 19.0274 19.2474 19.2474 k = 0.4018 0.3336-0.0000 ( 1868 PWs) bands (ev): -9.5455 -9.5455 -9.5354 -9.5354 -8.2411 -8.2411 -8.2351 -8.2351 0.8793 0.8793 0.8842 0.8842 1.8608 1.8608 1.9280 1.9280 3.9820 3.9820 3.9845 3.9845 6.3014 6.3014 6.3071 6.3071 7.6586 7.6586 7.6657 7.6657 8.7081 8.7081 8.7172 8.7172 16.9420 16.9420 16.9556 16.9556 19.0481 19.0481 19.2683 19.2683 k = 0.3929 0.3336-0.0000 ( 1860 PWs) bands (ev): -9.5931 -9.5931 -9.5836 -9.5836 -8.2193 -8.2193 -8.2128 -8.2128 0.9010 0.9010 0.9061 0.9061 1.8665 1.8665 1.9332 1.9332 4.0192 4.0192 4.0215 4.0215 6.3418 6.3418 6.3469 6.3469 7.6343 7.6343 7.6421 7.6421 8.7193 8.7193 8.7282 8.7282 16.9298 16.9298 16.9429 16.9429 19.0706 19.0706 19.2910 19.2910 k = 0.3839 0.3336-0.0000 ( 1864 PWs) bands (ev): -9.6417 -9.6417 -9.6328 -9.6328 -8.1984 -8.1984 -8.1914 -8.1914 0.9226 0.9226 0.9278 0.9278 1.8743 1.8743 1.9405 1.9405 4.0606 4.0606 4.0627 4.0627 6.3838 6.3838 6.3883 6.3883 7.6091 7.6091 7.6177 7.6177 8.7308 8.7308 8.7395 8.7395 16.9158 16.9158 16.9284 16.9284 19.0949 19.0949 19.3156 19.3156 k = 0.3750 0.3336-0.0000 ( 1864 PWs) bands (ev): -9.6912 -9.6912 -9.6828 -9.6828 -8.1784 -8.1784 -8.1710 -8.1710 0.9436 0.9436 0.9490 0.9490 1.8848 1.8848 1.9503 1.9503 4.1063 4.1063 4.1083 4.1083 6.4270 6.4270 6.4309 6.4309 7.5832 7.5832 7.5925 7.5925 8.7425 8.7425 8.7510 8.7510 16.9001 16.9001 16.9120 16.9120 19.1210 19.1210 19.3419 19.3419 k = 0.3661 0.3336-0.0000 ( 1856 PWs) bands (ev): -9.7411 -9.7411 -9.7333 -9.7333 -8.1597 -8.1597 -8.1518 -8.1518 0.9631 0.9631 0.9688 0.9688 1.8987 1.8987 1.9635 1.9635 4.1562 4.1562 4.1581 4.1581 6.4712 6.4712 6.4745 6.4745 7.5568 7.5568 7.5669 7.5669 8.7544 8.7544 8.7627 8.7627 16.8824 16.8824 16.8936 16.8936 19.1487 19.1487 19.3699 19.3699 k = 0.3571 0.3336-0.0000 ( 1856 PWs) bands (ev): -9.7915 -9.7915 -9.7841 -9.7841 -8.1421 -8.1421 -8.1339 -8.1339 0.9804 0.9804 0.9865 0.9865 1.9170 1.9170 1.9809 1.9809 4.2102 4.2102 4.2120 4.2120 6.5160 6.5160 6.5186 6.5186 7.5300 7.5300 7.5410 7.5410 8.7664 8.7664 8.7745 8.7745 16.8625 16.8625 16.8731 16.8731 19.1780 19.1780 19.3995 19.3995 k = 0.3482 0.3336-0.0000 ( 1856 PWs) bands (ev): -9.8420 -9.8420 -9.8350 -9.8350 -8.1259 -8.1259 -8.1174 -8.1174 0.9948 0.9948 1.0015 1.0015 1.9404 1.9404 2.0033 2.0033 4.2681 4.2681 4.2699 4.2699 6.5610 6.5610 6.5630 6.5630 7.5032 7.5032 7.5149 7.5149 8.7786 8.7786 8.7865 8.7865 16.8405 16.8405 16.8503 16.8503 19.2087 19.2087 19.4306 19.4306 k = 0.3393 0.3336-0.0000 ( 1856 PWs) bands (ev): -9.8924 -9.8924 -9.8859 -9.8859 -8.1110 -8.1110 -8.1023 -8.1023 1.0058 1.0058 1.0130 1.0130 1.9697 1.9697 2.0313 2.0313 4.3298 4.3298 4.3317 4.3317 6.6059 6.6059 6.6072 6.6072 7.4763 7.4763 7.4889 7.4889 8.7908 8.7908 8.7986 8.7986 16.8161 16.8161 16.8252 16.8252 19.2407 19.2407 19.4629 19.4629 k = 0.3304 0.3336-0.0000 ( 1848 PWs) bands (ev): -9.9428 -9.9428 -9.9367 -9.9367 -8.0975 -8.0975 -8.0885 -8.0885 1.0127 1.0127 1.0208 1.0208 2.0053 2.0053 2.0655 2.0655 4.3950 4.3950 4.3969 4.3969 6.6504 6.6504 6.6511 6.6511 7.4496 7.4496 7.4631 7.4631 8.8032 8.8032 8.8109 8.8109 16.7894 16.7894 16.7976 16.7976 19.2738 19.2738 19.4963 19.4963 k = 0.3214 0.3336-0.0000 ( 1848 PWs) bands (ev): -9.9929 -9.9929 -9.9871 -9.9871 -8.0854 -8.0854 -8.0762 -8.0762 1.0155 1.0155 1.0243 1.0243 2.0476 2.0476 2.1065 2.1065 4.4635 4.4635 4.4655 4.4655 6.6941 6.6941 6.6943 6.6943 7.4233 7.4233 7.4377 7.4377 8.8157 8.8157 8.8234 8.8234 16.7600 16.7600 16.7674 16.7674 19.3076 19.3076 19.5305 19.5305 k = 0.3125 0.3336-0.0000 ( 1848 PWs) bands (ev): -10.0426 -10.0426 -10.0372 -10.0372 -8.0746 -8.0746 -8.0653 -8.0653 1.0140 1.0140 1.0237 1.0237 2.0969 2.0969 2.1542 2.1542 4.5348 4.5348 4.5370 4.5370 6.7364 6.7364 6.7368 6.7368 7.3976 7.3976 7.4129 7.4129 8.8284 8.8284 8.8360 8.8360 16.7280 16.7280 16.7346 16.7346 19.3417 19.3417 19.5650 19.5650 k = 0.3036 0.3336-0.0000 ( 1848 PWs) bands (ev): -10.0918 -10.0918 -10.0867 -10.0867 -8.0652 -8.0652 -8.0558 -8.0558 1.0084 1.0084 1.0189 1.0189 2.1529 2.1529 2.2088 2.2088 4.6087 4.6087 4.6111 4.6111 6.7772 6.7772 6.7781 6.7781 7.3727 7.3727 7.3890 7.3890 8.8413 8.8413 8.8488 8.8488 16.6934 16.6934 16.6991 16.6991 19.3757 19.3757 19.5991 19.5991 k = 0.2946 0.3336-0.0000 ( 1852 PWs) bands (ev): -10.1404 -10.1404 -10.1356 -10.1356 -8.0571 -8.0571 -8.0476 -8.0476 0.9990 0.9990 1.0102 1.0102 2.2155 2.2155 2.2699 2.2699 4.6849 4.6849 4.6874 4.6874 6.8163 6.8163 6.8177 6.8177 7.3489 7.3489 7.3660 7.3660 8.8545 8.8545 8.8619 8.8619 16.6560 16.6560 16.6609 16.6609 19.4087 19.4087 19.6320 19.6320 k = 0.2857 0.3336-0.0000 ( 1848 PWs) bands (ev): -10.1883 -10.1883 -10.1838 -10.1838 -8.0502 -8.0502 -8.0407 -8.0407 0.9863 0.9863 0.9981 0.9981 2.2843 2.2843 2.3374 2.3374 4.7628 4.7628 4.7656 4.7656 6.8535 6.8535 6.8552 6.8552 7.3264 7.3264 7.3443 7.3443 8.8679 8.8679 8.8753 8.8753 16.6159 16.6159 16.6199 16.6199 19.4396 19.4396 19.6623 19.6623 k = 0.2768 0.3336-0.0000 ( 1852 PWs) bands (ev): -10.2355 -10.2355 -10.2313 -10.2313 -8.0446 -8.0446 -8.0350 -8.0350 0.9705 0.9705 0.9829 0.9829 2.3589 2.3589 2.4108 2.4108 4.8421 4.8421 4.8452 4.8452 6.8884 6.8884 6.8903 6.8903 7.3055 7.3055 7.3242 7.3242 8.8815 8.8815 8.8890 8.8890 16.5730 16.5730 16.5762 16.5762 19.4672 19.4672 19.6880 19.6880 k = 0.2679 0.3336-0.0000 ( 1856 PWs) bands (ev): -10.2817 -10.2817 -10.2778 -10.2778 -8.0401 -8.0401 -8.0305 -8.0305 0.9523 0.9523 0.9650 0.9650 2.4390 2.4390 2.4897 2.4897 4.9224 4.9224 4.9257 4.9257 6.9208 6.9208 6.9226 6.9226 7.2868 7.2868 7.3060 7.3060 8.8955 8.8955 8.9029 8.9029 16.5275 16.5275 16.5299 16.5299 19.4893 19.4893 19.7064 19.7064 k = 0.2589 0.3336-0.0000 ( 1860 PWs) bands (ev): -10.3271 -10.3271 -10.3234 -10.3234 -8.0366 -8.0366 -8.0272 -8.0272 0.9319 0.9319 0.9450 0.9450 2.5239 2.5239 2.5736 2.5736 5.0031 5.0031 5.0068 5.0068 6.9502 6.9502 6.9516 6.9516 7.2707 7.2707 7.2900 7.2900 8.9099 8.9099 8.9173 8.9173 16.4793 16.4793 16.4809 16.4809 19.5035 19.5035 19.7136 19.7136 k = 0.2500 0.3336-0.0000 ( 1856 PWs) bands (ev): -10.3714 -10.3714 -10.3680 -10.3680 -8.0342 -8.0342 -8.0248 -8.0248 0.9100 0.9100 0.9232 0.9232 2.6134 2.6134 2.6622 2.6622 5.0838 5.0838 5.0878 5.0878 6.9764 6.9764 6.9766 6.9766 7.2578 7.2578 7.2768 7.2768 8.9246 8.9246 8.9320 8.9320 16.4285 16.4285 16.4294 16.4294 19.5064 19.5064 19.7051 19.7051 k = 0.2411 0.3336-0.0000 ( 1860 PWs) bands (ev): -10.4147 -10.4147 -10.4115 -10.4115 -8.0327 -8.0327 -8.0235 -8.0235 0.8867 0.8867 0.9000 0.9000 2.7069 2.7069 2.7549 2.7549 5.1639 5.1639 5.1683 5.1683 6.9973 6.9973 6.9989 6.9989 7.2489 7.2489 7.2668 7.2668 8.9397 8.9397 8.9470 8.9470 16.3753 16.3753 16.3755 16.3755 19.4948 19.4948 19.6770 19.6770 k = 0.2321 0.3336-0.0000 ( 1856 PWs) bands (ev): -10.4568 -10.4568 -10.4538 -10.4538 -8.0321 -8.0321 -8.0230 -8.0230 0.8625 0.8625 0.8758 0.8758 2.8041 2.8041 2.8514 2.8514 5.2429 5.2429 5.2476 5.2476 7.0129 7.0129 7.0173 7.0173 7.2447 7.2447 7.2606 7.2606 8.9551 8.9551 8.9624 8.9624 16.3193 16.3193 16.3198 16.3198 19.4658 19.4658 19.6273 19.6273 k = 0.2232 0.3336-0.0000 ( 1852 PWs) bands (ev): -10.4978 -10.4978 -10.4950 -10.4950 -8.0323 -8.0323 -8.0233 -8.0233 0.8376 0.8376 0.8508 0.8508 2.9047 2.9047 2.9512 2.9512 5.3200 5.3200 5.3252 5.3252 7.0234 7.0234 7.0316 7.0316 7.2455 7.2455 7.2585 7.2585 8.9709 8.9709 8.9782 8.9782 16.2611 16.2611 16.2621 16.2621 19.4185 19.4185 19.5576 19.5576 k = 0.2143 0.3336-0.0000 ( 1846 PWs) bands (ev): -10.5375 -10.5375 -10.5349 -10.5349 -8.0332 -8.0332 -8.0244 -8.0244 0.8124 0.8124 0.8253 0.8253 3.0081 3.0081 3.0541 3.0541 5.3948 5.3948 5.4004 5.4004 7.0290 7.0290 7.0418 7.0418 7.2513 7.2513 7.2607 7.2607 8.9870 8.9870 8.9942 8.9942 16.2011 16.2011 16.2026 16.2026 19.3539 19.3539 19.4717 19.4717 k = 0.2054 0.3336-0.0000 ( 1846 PWs) bands (ev): -10.5759 -10.5759 -10.5735 -10.5735 -8.0347 -8.0347 -8.0261 -8.0261 0.7870 0.7870 0.7997 0.7997 3.1142 3.1142 3.1596 3.1596 5.4665 5.4665 5.4726 5.4726 7.0307 7.0307 7.0482 7.0482 7.2615 7.2615 7.2671 7.2671 9.0033 9.0033 9.0105 9.0105 16.1393 16.1393 16.1413 16.1413 19.2748 19.2748 19.3741 19.3741 k = 0.1964 0.3336-0.0000 ( 1842 PWs) bands (ev): -10.6130 -10.6130 -10.6108 -10.6108 -8.0367 -8.0367 -8.0284 -8.0284 0.7616 0.7616 0.7740 0.7740 3.2225 3.2225 3.2673 3.2673 5.5345 5.5345 5.5411 5.5411 7.0294 7.0294 7.0514 7.0514 7.2753 7.2753 7.2774 7.2774 9.0198 9.0198 9.0270 9.0270 16.0762 16.0762 16.0786 16.0786 19.1847 19.1847 19.2686 19.2686 k = 0.1875 0.3336-0.0000 ( 1842 PWs) bands (ev): -10.6487 -10.6487 -10.6466 -10.6466 -8.0393 -8.0393 -8.0312 -8.0312 0.7365 0.7365 0.7485 0.7485 3.3327 3.3327 3.3770 3.3770 5.5981 5.5981 5.6051 5.6051 7.0260 7.0260 7.0520 7.0520 7.2912 7.2912 7.2922 7.2922 9.0365 9.0365 9.0435 9.0435 16.0120 16.0120 16.0148 16.0148 19.0868 19.0868 19.1582 19.1582 k = 0.1786 0.3336-0.0000 ( 1846 PWs) bands (ev): -10.6830 -10.6830 -10.6811 -10.6811 -8.0422 -8.0422 -8.0344 -8.0344 0.7118 0.7118 0.7234 0.7234 3.4445 3.4445 3.4883 3.4883 5.6568 5.6568 5.6642 5.6642 7.0211 7.0211 7.0506 7.0506 7.3083 7.3083 7.3119 7.3119 9.0532 9.0532 9.0601 9.0601 15.9470 15.9470 15.9500 15.9500 18.9837 18.9837 19.0451 19.0451 k = 0.1696 0.3336-0.0000 ( 1848 PWs) bands (ev): -10.7159 -10.7159 -10.7141 -10.7141 -8.0455 -8.0455 -8.0380 -8.0380 0.6876 0.6876 0.6988 0.6988 3.5575 3.5575 3.6009 3.6009 5.7099 5.7099 5.7177 5.7177 7.0151 7.0151 7.0474 7.0474 7.3287 7.3287 7.3342 7.3342 9.0699 9.0699 9.0767 9.0767 15.8815 15.8815 15.8848 15.8848 18.8778 18.8778 18.9310 18.9310 k = 0.1607 0.3336-0.0000 ( 1850 PWs) bands (ev): -10.7472 -10.7472 -10.7456 -10.7456 -8.0491 -8.0491 -8.0418 -8.0418 0.6640 0.6640 0.6748 0.6748 3.6715 3.6715 3.7143 3.7143 5.7572 5.7572 5.7651 5.7651 7.0080 7.0080 7.0423 7.0423 7.3525 7.3525 7.3592 7.3592 9.0865 9.0865 9.0931 9.0931 15.8160 15.8160 15.8194 15.8194 18.7707 18.7707 18.8172 18.8172 k = 0.1518 0.3336-0.0000 ( 1854 PWs) bands (ev): -10.7771 -10.7771 -10.7755 -10.7755 -8.0528 -8.0528 -8.0459 -8.0459 0.6413 0.6413 0.6516 0.6516 3.7860 3.7860 3.8283 3.8283 5.7981 5.7981 5.8062 5.8062 6.9997 6.9997 7.0354 7.0354 7.3795 7.3795 7.3869 7.3869 9.1028 9.1028 9.1093 9.1093 15.7507 15.7507 15.7542 15.7542 18.6637 18.6637 18.7046 18.7046 k = 0.1429 0.3336-0.0000 ( 1858 PWs) bands (ev): -10.8053 -10.8053 -10.8039 -10.8039 -8.0567 -8.0567 -8.0501 -8.0501 0.6194 0.6194 0.6292 0.6292 3.9008 3.9008 3.9426 3.9426 5.8327 5.8327 5.8406 5.8406 6.9900 6.9900 7.0266 7.0266 7.4097 7.4097 7.4175 7.4175 9.1188 9.1188 9.1251 9.1251 15.6860 15.6860 15.6896 15.6896 18.5581 18.5581 18.5943 18.5943 k = 0.1339 0.3336-0.0000 ( 1858 PWs) bands (ev): -10.8320 -10.8320 -10.8307 -10.8307 -8.0606 -8.0606 -8.0544 -8.0544 0.5985 0.5985 0.6077 0.6077 4.0155 4.0155 4.0568 4.0568 5.8607 5.8607 5.8683 5.8683 6.9789 6.9789 7.0157 7.0157 7.4431 7.4431 7.4508 7.4508 9.1344 9.1344 9.1405 9.1405 15.6225 15.6225 15.6261 15.6261 18.4548 18.4548 18.4870 18.4870 k = 0.1250 0.3336-0.0000 ( 1862 PWs) bands (ev): -10.8571 -10.8571 -10.8559 -10.8559 -8.0645 -8.0645 -8.0587 -8.0587 0.5787 0.5787 0.5873 0.5873 4.1299 4.1299 4.1704 4.1704 5.8822 5.8822 5.8894 5.8894 6.9663 6.9663 7.0028 7.0028 7.4791 7.4791 7.4865 7.4865 9.1494 9.1494 9.1553 9.1553 15.5604 15.5604 15.5639 15.5639 18.3546 18.3546 18.3832 18.3832 k = 0.1161 0.3336-0.0000 ( 1862 PWs) bands (ev): -10.8806 -10.8806 -10.8795 -10.8795 -8.0684 -8.0684 -8.0629 -8.0629 0.5600 0.5600 0.5680 0.5680 4.2434 4.2434 4.2833 4.2833 5.8974 5.8974 5.9038 5.9038 6.9522 6.9522 6.9879 6.9879 7.5172 7.5172 7.5242 7.5242 9.1639 9.1639 9.1695 9.1695 15.5002 15.5002 15.5037 15.5037 18.2582 18.2582 18.2837 18.2837 k = 0.1071 0.3336-0.0000 ( 1862 PWs) bands (ev): -10.9024 -10.9024 -10.9014 -10.9014 -8.0722 -8.0722 -8.0671 -8.0671 0.5424 0.5424 0.5499 0.5499 4.3558 4.3558 4.3950 4.3950 5.9064 5.9064 5.9119 5.9119 6.9367 6.9367 6.9713 6.9713 7.5567 7.5567 7.5631 7.5631 9.1776 9.1776 9.1830 9.1830 15.4423 15.4423 15.4457 15.4457 18.1663 18.1663 18.1889 18.1889 k = 0.0982 0.3336-0.0000 ( 1862 PWs) bands (ev): -10.9225 -10.9225 -10.9216 -10.9216 -8.0759 -8.0759 -8.0711 -8.0711 0.5261 0.5261 0.5330 0.5330 4.4667 4.4667 4.5051 4.5051 5.9095 5.9095 5.9137 5.9137 6.9201 6.9201 6.9533 6.9533 7.5969 7.5969 7.6026 7.6026 9.1906 9.1906 9.1956 9.1956 15.3872 15.3872 15.3903 15.3903 18.0794 18.0794 18.0996 18.0996 k = 0.0893 0.3336-0.0000 ( 1854 PWs) bands (ev): -10.9409 -10.9409 -10.9401 -10.9401 -8.0793 -8.0793 -8.0750 -8.0750 0.5111 0.5111 0.5174 0.5174 4.5758 4.5758 4.6132 4.6132 5.9067 5.9067 5.9094 5.9094 6.9027 6.9027 6.9341 6.9341 7.6369 7.6369 7.6421 7.6421 9.2027 9.2027 9.2074 9.2074 15.3352 15.3352 15.3382 15.3382 17.9982 17.9982 18.0160 18.0160 k = 0.0804 0.3336-0.0000 ( 1852 PWs) bands (ev): -10.9576 -10.9576 -10.9569 -10.9569 -8.0826 -8.0826 -8.0787 -8.0787 0.4975 0.4975 0.5032 0.5032 4.6825 4.6825 4.7189 4.7189 5.8981 5.8981 5.8991 5.8991 6.8849 6.8849 6.9143 6.9143 7.6760 7.6760 7.6805 7.6805 9.2139 9.2139 9.2182 9.2182 15.2868 15.2868 15.2895 15.2895 17.9231 17.9231 17.9388 17.9388 k = 0.0714 0.3336-0.0000 ( 1848 PWs) bands (ev): -10.9726 -10.9726 -10.9720 -10.9720 -8.0855 -8.0855 -8.0820 -8.0820 0.4852 0.4852 0.4903 0.4903 4.7866 4.7866 4.8218 4.8218 5.8830 5.8830 5.8839 5.8839 6.8672 6.8672 6.8942 6.8942 7.7132 7.7132 7.7172 7.7172 9.2241 9.2241 9.2280 9.2280 15.2423 15.2423 15.2447 15.2447 17.8546 17.8546 17.8683 17.8683 k = 0.0625 0.3336-0.0000 ( 1852 PWs) bands (ev): -10.9859 -10.9859 -10.9853 -10.9853 -8.0882 -8.0882 -8.0851 -8.0851 0.4743 0.4743 0.4787 0.4787 4.8875 4.8875 4.9214 4.9214 5.8612 5.8612 5.8641 5.8641 6.8502 6.8502 6.8745 6.8745 7.7480 7.7480 7.7514 7.7514 9.2332 9.2332 9.2367 9.2367 15.2020 15.2020 15.2043 15.2043 17.7932 17.7932 17.8050 17.8050 k = 0.0536 0.3336-0.0000 ( 1856 PWs) bands (ev): -10.9974 -10.9974 -10.9969 -10.9969 -8.0906 -8.0906 -8.0879 -8.0879 0.4648 0.4648 0.4687 0.4687 4.9847 4.9847 5.0170 5.0170 5.8337 5.8337 5.8389 5.8389 6.8344 6.8344 6.8558 6.8558 7.7796 7.7796 7.7825 7.7825 9.2412 9.2412 9.2443 9.2443 15.1665 15.1665 15.1684 15.1684 17.7392 17.7392 17.7492 17.7492 k = 0.0446 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0071 -11.0071 -11.0067 -11.0067 -8.0925 -8.0925 -8.0903 -8.0903 0.4569 0.4569 0.4601 0.4601 5.0776 5.0776 5.1081 5.1081 5.8008 5.8008 5.8082 5.8082 6.8202 6.8202 6.8385 6.8385 7.8075 7.8075 7.8098 7.8098 9.2481 9.2481 9.2508 9.2508 15.1358 15.1358 15.1375 15.1375 17.6930 17.6930 17.7012 17.7012 k = 0.0357 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0151 -11.0151 -11.0148 -11.0148 -8.0942 -8.0942 -8.0924 -8.0924 0.4504 0.4504 0.4529 0.4529 5.1652 5.1652 5.1935 5.1935 5.7632 5.7632 5.7727 5.7727 6.8083 6.8083 6.8231 6.8231 7.8310 7.8310 7.8329 7.8329 9.2539 9.2539 9.2560 9.2560 15.1104 15.1104 15.1117 15.1117 17.6550 17.6550 17.6615 17.6615 k = 0.0268 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0213 -11.0213 -11.0211 -11.0211 -8.0954 -8.0954 -8.0941 -8.0941 0.4454 0.4454 0.4473 0.4473 5.2463 5.2463 5.2717 5.2717 5.7220 5.7220 5.7332 5.7332 6.7990 6.7990 6.8103 6.8103 7.8498 7.8498 7.8512 7.8512 9.2584 9.2584 9.2600 9.2600 15.0905 15.0905 15.0915 15.0915 17.6252 17.6252 17.6301 17.6301 k = 0.0179 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0257 -11.0257 -11.0256 -11.0256 -8.0962 -8.0962 -8.0953 -8.0953 0.4419 0.4419 0.4431 0.4431 5.3183 5.3183 5.3394 5.3394 5.6804 5.6804 5.6919 5.6919 6.7926 6.7926 6.8002 6.8002 7.8636 7.8636 7.8645 7.8645 9.2618 9.2618 9.2629 9.2629 15.0761 15.0761 15.0768 15.0768 17.6041 17.6041 17.6073 17.6073 k = 0.0089 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0284 -11.0284 -11.0283 -11.0283 -8.0966 -8.0966 -8.0962 -8.0962 0.4399 0.4399 0.4405 0.4405 5.3750 5.3750 5.3884 5.3884 5.6461 5.6461 5.6546 5.6546 6.7895 6.7895 6.7933 6.7933 7.8720 7.8720 7.8725 7.8725 9.2639 9.2639 9.2644 9.2644 15.0675 15.0675 15.0679 15.0679 17.5917 17.5917 17.5933 17.5933 k = 0.0000 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0292 -11.0292 -11.0292 -11.0292 -8.0966 -8.0966 -8.0966 -8.0966 0.4395 0.4395 0.4395 0.4395 5.4031 5.4031 5.4031 5.4031 5.6347 5.6347 5.6347 5.6347 6.7897 6.7897 6.7897 6.7897 7.8750 7.8750 7.8750 7.8750 9.2648 9.2648 9.2648 9.2648 15.0648 15.0648 15.0648 15.0648 17.5881 17.5881 17.5881 17.5881 k = 0.0000 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0292 -11.0292 -11.0292 -11.0292 -8.0966 -8.0966 -8.0966 -8.0966 0.4395 0.4395 0.4395 0.4395 5.4031 5.4031 5.4031 5.4031 5.6347 5.6347 5.6347 5.6347 6.7897 6.7897 6.7897 6.7897 7.8750 7.8750 7.8750 7.8750 9.2648 9.2648 9.2648 9.2648 15.0648 15.0648 15.0648 15.0648 17.5881 17.5881 17.5881 17.5881 k = 0.0000 0.3248-0.0000 ( 1858 PWs) bands (ev): -11.0905 -11.0905 -10.9669 -10.9669 -8.1153 -8.1153 -8.0783 -8.0783 0.3615 0.3615 0.5182 0.5182 5.3067 5.3067 5.5005 5.5005 5.5843 5.5843 5.6866 5.6866 6.7443 6.7443 6.8322 6.8322 7.8678 7.8678 7.8818 7.8818 9.2604 9.2604 9.2695 9.2695 14.9813 14.9813 15.1467 15.1467 17.5693 17.5693 17.6043 17.6043 k = 0.0000 0.3161-0.0000 ( 1858 PWs) bands (ev): -11.1507 -11.1507 -10.9035 -10.9035 -8.1343 -8.1343 -8.0604 -8.0604 0.2842 0.2842 0.5978 0.5978 5.2124 5.2124 5.5302 5.5302 5.6040 5.6040 5.7395 5.7395 6.6962 6.6962 6.8719 6.8719 7.8604 7.8604 7.8883 7.8883 9.2564 9.2564 9.2744 9.2744 14.8966 14.8966 15.2268 15.2268 17.5482 17.5482 17.6179 17.6179 k = 0.0000 0.3073-0.0000 ( 1858 PWs) bands (ev): -11.2098 -11.2098 -10.8391 -10.8391 -8.1535 -8.1535 -8.0431 -8.0431 0.2078 0.2078 0.6781 0.6781 5.1205 5.1205 5.4816 5.4816 5.7035 5.7035 5.7932 5.7932 6.6453 6.6453 6.9090 6.9090 7.8527 7.8527 7.8943 7.8943 9.2528 9.2528 9.2796 9.2796 14.8109 14.8109 15.3048 15.3048 17.5252 17.5252 17.6287 17.6287 k = 0.0000 0.2985-0.0000 ( 1854 PWs) bands (ev): -11.2676 -11.2676 -10.7739 -10.7739 -8.1729 -8.1729 -8.0263 -8.0263 0.1322 0.1322 0.7591 0.7591 5.0312 5.0312 5.4329 5.4329 5.8036 5.8036 5.8489 5.8489 6.5918 6.5918 6.9434 6.9434 7.8448 7.8448 7.9000 7.9000 9.2497 9.2497 9.2849 9.2849 14.7247 14.7247 15.3802 15.3802 17.5005 17.5005 17.6366 17.6366 k = 0.0000 0.2897-0.0000 ( 1854 PWs) bands (ev): -11.3241 -11.3241 -10.7079 -10.7079 -8.1924 -8.1924 -8.0101 -8.0101 0.0575 0.0575 0.8409 0.8409 4.9449 4.9449 5.3849 5.3849 5.8910 5.8910 5.9179 5.9179 6.5359 6.5359 6.9755 6.9755 7.8367 7.8367 7.9051 7.9051 9.2470 9.2470 9.2902 9.2902 14.6381 14.6381 15.4529 15.4529 17.4743 17.4743 17.6416 17.6416 k = 0.0000 0.2809-0.0000 ( 1852 PWs) bands (ev): -11.3794 -11.3794 -10.6411 -10.6411 -8.2120 -8.2120 -7.9946 -7.9946 -0.0165 -0.0165 0.9234 0.9234 4.8616 4.8616 5.3379 5.3379 5.9512 5.9512 6.0141 6.0141 6.4776 6.4776 7.0058 7.0058 7.8285 7.8285 7.9098 7.9098 9.2447 9.2447 9.2954 9.2954 14.5513 14.5513 15.5226 15.5226 17.4471 17.4471 17.6436 17.6436 k = 0.0000 0.2722-0.0000 ( 1852 PWs) bands (ev): -11.4333 -11.4333 -10.5736 -10.5736 -8.2316 -8.2316 -7.9799 -7.9799 -0.0896 -0.0896 1.0065 1.0065 4.7817 4.7817 5.2919 5.2919 6.0070 6.0070 6.1137 6.1137 6.4173 6.4173 7.0348 7.0348 7.8202 7.8202 7.9139 7.9139 9.2429 9.2429 9.3004 9.3004 14.4648 14.4648 15.5890 15.5890 17.4191 17.4191 17.6428 17.6428 k = 0.0000 0.2634-0.0000 ( 1844 PWs) bands (ev): -11.4858 -11.4858 -10.5055 -10.5055 -8.2512 -8.2512 -7.9660 -7.9660 -0.1619 -0.1619 1.0902 1.0902 4.7052 4.7052 5.2469 5.2469 6.0621 6.0621 6.2115 6.2115 6.3553 6.3553 7.0634 7.0634 7.8118 7.8118 7.9174 7.9174 9.2414 9.2414 9.3051 9.3051 14.3786 14.3786 15.6518 15.6518 17.3907 17.3907 17.6392 17.6392 k = 0.0000 0.2546-0.0000 ( 1844 PWs) bands (ev): -11.5370 -11.5370 -10.4369 -10.4369 -8.2706 -8.2706 -7.9531 -7.9531 -0.2332 -0.2332 1.1746 1.1746 4.6324 4.6324 5.2029 5.2029 6.1166 6.1166 6.2882 6.2882 6.3095 6.3095 7.0930 7.0930 7.8033 7.8033 7.9203 7.9203 9.2404 9.2404 9.3094 9.3094 14.2929 14.2929 15.7108 15.7108 17.3623 17.3623 17.6331 17.6331 k = 0.0000 0.2458-0.0000 ( 1842 PWs) bands (ev): -11.5866 -11.5866 -10.3679 -10.3679 -8.2899 -8.2899 -7.9410 -7.9410 -0.3037 -0.3037 1.2594 1.2594 4.5633 4.5633 5.1601 5.1601 6.1662 6.1662 6.2309 6.2309 6.3951 6.3951 7.1253 7.1253 7.7948 7.7948 7.9225 7.9225 9.2398 9.2398 9.3132 9.3132 14.2081 14.2081 15.7659 15.7659 17.3342 17.3342 17.6247 17.6247 k = 0.0000 0.2370-0.0000 ( 1854 PWs) bands (ev): -11.6348 -11.6348 -10.2985 -10.2985 -8.3090 -8.3090 -7.9300 -7.9300 -0.3732 -0.3732 1.3447 1.3447 4.4982 4.4982 5.1185 5.1185 6.1481 6.1481 6.2370 6.2370 6.4753 6.4753 7.1626 7.1626 7.7863 7.7863 7.9241 7.9241 9.2395 9.2395 9.3163 9.3163 14.1239 14.1239 15.8169 15.8169 17.3067 17.3067 17.6142 17.6142 k = 0.0000 0.2283-0.0000 ( 1854 PWs) bands (ev): -11.6815 -11.6815 -10.2289 -10.2289 -8.3279 -8.3279 -7.9201 -7.9201 -0.4416 -0.4416 1.4304 1.4304 4.4371 4.4371 5.0781 5.0781 6.0825 6.0825 6.2890 6.2890 6.5448 6.5448 7.2073 7.2073 7.7779 7.7779 7.9248 7.9248 9.2396 9.2396 9.3187 9.3187 14.0408 14.0408 15.8636 15.8636 17.2801 17.2801 17.6019 17.6019 k = 0.0000 0.2195-0.0000 ( 1854 PWs) bands (ev): -11.7266 -11.7266 -10.1591 -10.1591 -8.3464 -8.3464 -7.9113 -7.9113 -0.5090 -0.5090 1.5163 1.5163 4.3802 4.3802 5.0389 5.0389 6.0131 6.0131 6.3435 6.3435 6.6012 6.6012 7.2616 7.2616 7.7695 7.7695 7.9249 7.9249 9.2399 9.2399 9.3203 9.3203 13.9588 13.9588 15.9061 15.9061 17.2549 17.2549 17.5882 17.5882 k = 0.0000 0.2107-0.0000 ( 1855 PWs) bands (ev): -11.7702 -11.7702 -10.0892 -10.0892 -8.3646 -8.3646 -7.9037 -7.9037 -0.5753 -0.5753 1.6025 1.6025 4.3275 4.3275 5.0010 5.0010 5.9421 5.9421 6.3984 6.3984 6.6431 6.6431 7.3267 7.3267 7.7612 7.7612 7.9240 7.9240 9.2405 9.2405 9.3211 9.3211 13.8779 13.8779 15.9443 15.9443 17.2313 17.2313 17.5734 17.5734 k = 0.0000 0.2019-0.0000 ( 1855 PWs) bands (ev): -11.8121 -11.8121 -10.0195 -10.0195 -8.3823 -8.3823 -7.8973 -7.8973 -0.6403 -0.6403 1.6887 1.6887 4.2792 4.2792 4.9643 4.9643 5.8701 5.8701 6.4531 6.4531 6.6708 6.6708 7.4024 7.4024 7.7531 7.7531 7.9224 7.9224 9.2413 9.2413 9.3210 9.3210 13.7981 13.7981 15.9781 15.9781 17.2096 17.2096 17.5578 17.5578 k = 0.0000 0.1931-0.0000 ( 1861 PWs) bands (ev): -11.8525 -11.8525 -9.9499 -9.9499 -8.3997 -8.3997 -7.8922 -7.8922 -0.7041 -0.7041 1.7749 1.7749 4.2352 4.2352 4.9291 4.9291 5.7973 5.7973 6.5075 6.5075 6.6858 6.6858 7.4870 7.4870 7.7451 7.7451 7.9198 7.9198 9.2423 9.2423 9.3200 9.3200 13.7195 13.7195 16.0077 16.0077 17.1899 17.1899 17.5417 17.5417 k = 0.0000 0.1844-0.0000 ( 1863 PWs) bands (ev): -11.8912 -11.8912 -9.8806 -9.8806 -8.4165 -8.4165 -7.8885 -7.8885 -0.7664 -0.7664 1.8609 1.8609 4.1957 4.1957 4.8952 4.8952 5.7240 5.7240 6.5612 6.5612 6.6901 6.6901 7.5786 7.5786 7.7372 7.7372 7.9164 7.9164 9.2434 9.2434 9.3181 9.3181 13.6421 13.6421 16.0333 16.0333 17.1726 17.1726 17.5254 17.5254 k = 0.0000 0.1756-0.0000 ( 1867 PWs) bands (ev): -11.9282 -11.9282 -9.8118 -9.8118 -8.4329 -8.4329 -7.8861 -7.8861 -0.8273 -0.8273 1.9465 1.9465 4.1607 4.1607 4.8627 4.8627 5.6504 5.6504 6.6132 6.6132 6.6867 6.6867 7.6751 7.6751 7.7296 7.7296 7.9121 7.9121 9.2447 9.2447 9.3153 9.3153 13.5659 13.5659 16.0548 16.0548 17.1579 17.1579 17.5091 17.5091 k = 0.0000 0.1668-0.0000 ( 1865 PWs) bands (ev): -11.9635 -11.9635 -9.7435 -9.7435 -8.4487 -8.4487 -7.8852 -7.8852 -0.8865 -0.8865 2.0316 2.0316 4.1302 4.1302 4.8316 4.8316 5.5766 5.5766 6.6537 6.6537 6.6869 6.6869 7.7222 7.7222 7.7745 7.7745 7.9070 7.9070 9.2461 9.2461 9.3118 9.3118 13.4909 13.4909 16.0726 16.0726 17.1458 17.1458 17.4932 17.4932 k = 0.0000 0.1580-0.0000 ( 1869 PWs) bands (ev): -11.9972 -11.9972 -9.6760 -9.6760 -8.4638 -8.4638 -7.8856 -7.8856 -0.9439 -0.9439 2.1159 2.1159 4.1042 4.1042 4.8020 4.8020 5.5028 5.5028 6.6478 6.6478 6.7268 6.7268 7.7150 7.7150 7.8727 7.8727 7.9041 7.9041 9.2476 9.2476 9.3075 9.3075 13.4171 13.4171 16.0869 16.0869 17.1364 17.1364 17.4777 17.4777 k = 0.0000 0.1492-0.0000 ( 1869 PWs) bands (ev): -12.0291 -12.0291 -9.6094 -9.6094 -8.4784 -8.4784 -7.8875 -7.8875 -0.9995 -0.9995 2.1992 2.1992 4.0827 4.0827 4.7738 4.7738 5.4292 5.4292 6.6261 6.6261 6.7770 6.7770 7.7081 7.7081 7.8908 7.8908 7.9810 7.9810 9.2492 9.2492 9.3026 9.3026 13.3447 13.3447 16.0979 16.0979 17.1297 17.1297 17.4629 17.4629 k = 0.0000 0.1405-0.0000 ( 1869 PWs) bands (ev): -12.0593 -12.0593 -9.5439 -9.5439 -8.4923 -8.4923 -7.8909 -7.8909 -1.0530 -1.0530 2.2813 2.2813 4.0657 4.0657 4.7471 4.7471 5.3559 5.3559 6.5991 6.5991 6.8276 6.8276 7.7015 7.7015 7.8829 7.8829 8.0825 8.0825 9.2507 9.2507 9.2971 9.2971 13.2735 13.2735 16.1059 16.1059 17.1258 17.1258 17.4489 17.4489 k = 0.0000 0.1317-0.0000 ( 1869 PWs) bands (ev): -12.0877 -12.0877 -9.4797 -9.4797 -8.5055 -8.5055 -7.8956 -7.8956 -1.1044 -1.1044 2.3619 2.3619 4.0532 4.0532 4.7220 4.7220 5.2831 5.2831 6.5687 6.5687 6.8776 6.8776 7.6952 7.6952 7.8734 7.8734 8.1836 8.1836 9.2523 9.2523 9.2912 9.2912 13.2038 13.2038 16.1113 16.1113 17.1246 17.1246 17.4358 17.4358 k = 0.0000 0.1229-0.0000 ( 1869 PWs) bands (ev): -12.1144 -12.1144 -9.4169 -9.4169 -8.5179 -8.5179 -7.9018 -7.9018 -1.1534 -1.1534 2.4405 2.4405 4.0451 4.0451 4.6984 4.6984 5.2109 5.2109 6.5355 6.5355 6.9267 6.9267 7.6892 7.6892 7.8627 7.8627 8.2830 8.2830 9.2538 9.2538 9.2850 9.2850 13.1357 13.1357 16.1143 16.1143 17.1259 17.1259 17.4236 17.4236 k = 0.0000 0.1141-0.0000 ( 1869 PWs) bands (ev): -12.1392 -12.1392 -9.3559 -9.3559 -8.5297 -8.5297 -7.9092 -7.9092 -1.1999 -1.1999 2.5170 2.5170 4.0413 4.0413 4.6763 4.6763 5.1396 5.1396 6.5003 6.5003 6.9749 6.9749 7.6836 7.6836 7.8509 7.8509 8.3801 8.3801 9.2553 9.2553 9.2786 9.2786 13.0694 13.0694 16.1155 16.1155 17.1294 17.1294 17.4124 17.4124 k = 0.0000 0.1054-0.0000 ( 1875 PWs) bands (ev): -12.1623 -12.1623 -9.2968 -9.2968 -8.5406 -8.5406 -7.9179 -7.9179 -1.2438 -1.2438 2.5908 2.5908 4.0419 4.0419 4.6558 4.6558 5.0692 5.0692 6.4639 6.4639 7.0218 7.0218 7.6783 7.6783 7.8379 7.8379 8.4742 8.4742 9.2567 9.2567 9.2721 9.2721 13.0051 13.0051 16.1149 16.1149 17.1350 17.1350 17.4023 17.4023 k = 0.0000 0.0966-0.0000 ( 1883 PWs) bands (ev): -12.1836 -12.1836 -9.2400 -9.2400 -8.5508 -8.5508 -7.9277 -7.9277 -1.2848 -1.2848 2.6617 2.6617 4.0466 4.0466 4.6369 4.6369 5.0000 5.0000 6.4268 6.4268 7.0676 7.0676 7.6733 7.6733 7.8238 7.8238 8.5646 8.5646 9.2576 9.2576 9.2658 9.2658 12.9432 12.9432 16.1131 16.1131 17.1423 17.1423 17.3931 17.3931 k = 0.0000 0.0878-0.0000 ( 1891 PWs) bands (ev): -12.2030 -12.2030 -9.1858 -9.1858 -8.5601 -8.5601 -7.9385 -7.9385 -1.3229 -1.3229 2.7290 2.7290 4.0555 4.0555 4.6195 4.6195 4.9320 4.9320 6.3897 6.3897 7.1119 7.1119 7.6688 7.6688 7.8087 7.8087 8.6508 8.6508 9.2564 9.2564 9.2618 9.2618 12.8839 12.8839 16.1103 16.1103 17.1509 17.1509 17.3850 17.3850 k = 0.0000 0.0790-0.0000 ( 1891 PWs) bands (ev): -12.2207 -12.2207 -9.1344 -9.1344 -8.5686 -8.5686 -7.9499 -7.9499 -1.3579 -1.3579 2.7923 2.7923 4.0685 4.0685 4.6038 4.6038 4.8655 4.8655 6.3532 6.3532 7.1547 7.1547 7.6647 7.6647 7.7926 7.7926 8.7320 8.7320 9.2512 9.2512 9.2618 9.2618 12.8279 12.8279 16.1068 16.1068 17.1605 17.1605 17.3780 17.3780 k = 0.0000 0.0702-0.0000 ( 1887 PWs) bands (ev): -12.2365 -12.2365 -9.0864 -9.0864 -8.5763 -8.5763 -7.9619 -7.9619 -1.3897 -1.3897 2.8511 2.8511 4.0853 4.0853 4.5897 4.5897 4.8006 4.8006 6.3182 6.3182 7.1958 7.1958 7.6609 7.6609 7.7756 7.7756 8.8076 8.8076 9.2452 9.2452 9.2628 9.2628 12.7755 12.7755 16.1030 16.1030 17.1705 17.1705 17.3719 17.3719 k = 0.0000 0.0615-0.0000 ( 1879 PWs) bands (ev): -12.2504 -12.2504 -9.0421 -9.0421 -8.5831 -8.5831 -7.9741 -7.9741 -1.4180 -1.4180 2.9047 2.9047 4.1060 4.1060 4.5772 4.5772 4.7374 4.7374 6.2851 6.2851 7.2349 7.2349 7.6576 7.6576 7.7580 7.7580 8.8769 8.8769 9.2392 9.2392 9.2638 9.2638 12.7272 12.7272 16.0990 16.0990 17.1806 17.1806 17.3668 17.3668 k = 0.0000 0.0527-0.0000 ( 1879 PWs) bands (ev): -12.2625 -12.2625 -9.0020 -9.0020 -8.5889 -8.5889 -7.9861 -7.9861 -1.4429 -1.4429 2.9528 2.9528 4.1304 4.1304 4.5664 4.5664 4.6763 4.6763 6.2547 6.2547 7.2718 7.2718 7.6547 7.6547 7.7398 7.7398 8.9393 8.9393 9.2335 9.2335 9.2648 9.2648 12.6838 12.6838 16.0950 16.0950 17.1903 17.1903 17.3627 17.3627 k = 0.0000 0.0439-0.0000 ( 1879 PWs) bands (ev): -12.2728 -12.2728 -8.9667 -8.9667 -8.5939 -8.5939 -7.9974 -7.9974 -1.4641 -1.4641 2.9946 2.9946 4.1582 4.1582 4.5570 4.5570 4.6173 4.6173 6.2276 6.2276 7.3059 7.3059 7.6522 7.6522 7.7216 7.7216 8.9942 8.9942 9.2278 9.2278 9.2656 9.2656 12.6457 12.6457 16.0914 16.0914 17.1992 17.1992 17.3595 17.3595 k = 0.0000 0.0351-0.0000 ( 1879 PWs) bands (ev): -12.2812 -12.2812 -8.9368 -8.9368 -8.5980 -8.5980 -8.0077 -8.0077 -1.4816 -1.4816 3.0297 3.0297 4.1894 4.1894 4.5478 4.5478 4.5622 4.5622 6.2045 6.2045 7.3367 7.3367 7.6502 7.6502 7.7040 7.7040 9.0410 9.0410 9.2223 9.2223 9.2663 9.2663 12.6135 12.6135 16.0881 16.0881 17.2069 17.2069 17.3571 17.3571 k = 0.0000 0.0263-0.0000 ( 1879 PWs) bands (ev): -12.2877 -12.2877 -8.9127 -8.9127 -8.6012 -8.6012 -8.0164 -8.0164 -1.4953 -1.4953 3.0576 3.0576 4.2236 4.2236 4.5052 4.5052 4.5448 4.5448 6.1859 6.1859 7.3632 7.3632 7.6486 7.6486 7.6877 7.6877 9.0794 9.0794 9.2167 9.2167 9.2670 9.2670 12.5879 12.5879 16.0855 16.0855 17.2132 17.2132 17.3555 17.3555 k = 0.0000 0.0176-0.0000 ( 1875 PWs) bands (ev): -12.2924 -12.2924 -8.8951 -8.8951 -8.6035 -8.6035 -8.0230 -8.0230 -1.5051 -1.5051 3.0778 3.0778 4.2602 4.2602 4.4548 4.4548 4.5403 4.5403 6.1722 6.1722 7.3840 7.3840 7.6475 7.6475 7.6742 7.6742 9.1086 9.1086 9.2112 9.2112 9.2675 9.2675 12.5692 12.5692 16.0835 16.0835 17.2178 17.2178 17.3544 17.3544 k = 0.0000 0.0088-0.0000 ( 1879 PWs) bands (ev): -12.2952 -12.2952 -8.8843 -8.8843 -8.6048 -8.6048 -8.0271 -8.0271 -1.5110 -1.5110 3.0901 3.0901 4.2969 4.2969 4.4096 4.4096 4.5377 4.5377 6.1639 6.1639 7.3976 7.3976 7.6468 7.6468 7.6650 7.6650 9.1276 9.1276 9.2066 9.2066 9.2678 9.2678 12.5578 12.5578 16.0823 16.0823 17.2206 17.2206 17.3538 17.3538 k = 0.0000 0.0000 0.0000 ( 1875 PWs) bands (ev): -12.2961 -12.2961 -8.8807 -8.8807 -8.6053 -8.6053 -8.0285 -8.0285 -1.5130 -1.5130 3.0942 3.0942 4.3191 4.3191 4.3846 4.3846 4.5368 4.5368 6.1611 6.1611 7.4024 7.4024 7.6466 7.6466 7.6617 7.6617 9.1345 9.1345 9.2046 9.2046 9.2679 9.2679 12.5540 12.5540 16.0819 16.0819 17.2215 17.2215 17.3537 17.3537 k = 0.0000 0.0000 0.0000 ( 1875 PWs) bands (ev): -12.2961 -12.2961 -8.8807 -8.8807 -8.6053 -8.6053 -8.0285 -8.0285 -1.5130 -1.5130 3.0942 3.0942 4.3191 4.3191 4.3846 4.3846 4.5368 4.5368 6.1611 6.1611 7.4024 7.4024 7.6466 7.6466 7.6617 7.6617 9.1345 9.1345 9.2046 9.2046 9.2679 9.2679 12.5540 12.5540 16.0819 16.0819 17.2215 17.2215 17.3537 17.3537 k = 0.0000 0.0000 0.0089 ( 1879 PWs) bands (ev): -12.2952 -12.2952 -8.8800 -8.8800 -8.6120 -8.6120 -8.0244 -8.0244 -1.5111 -1.5111 3.0963 3.0963 4.3208 4.3208 4.3775 4.3775 4.5377 4.5377 6.1655 6.1655 7.4028 7.4028 7.6154 7.6154 7.6911 7.6911 9.1342 9.1342 9.2012 9.2012 9.2643 9.2643 12.5591 12.5591 16.0830 16.0830 17.2226 17.2226 17.3565 17.3565 k = 0.0000 0.0000 0.0177 ( 1879 PWs) bands (ev): -12.2922 -12.2922 -8.8780 -8.8780 -8.6314 -8.6314 -8.0125 -8.0125 -1.5053 -1.5053 3.1028 3.1028 4.3256 4.3256 4.3567 4.3567 4.5403 4.5403 6.1786 6.1786 7.4041 7.4041 7.5760 7.5760 7.7251 7.7251 9.1336 9.1336 9.1909 9.1909 9.2538 9.2538 12.5745 12.5745 16.0863 16.0863 17.2259 17.2259 17.3649 17.3649 k = 0.0000 0.0000 0.0266 ( 1879 PWs) bands (ev): -12.2874 -12.2874 -8.8748 -8.8748 -8.6620 -8.6620 -7.9946 -7.9946 -1.4956 -1.4956 3.1136 3.1136 4.3228 4.3228 4.3337 4.3337 4.5446 4.5446 6.1997 6.1997 7.4062 7.4062 7.5347 7.5347 7.7575 7.7575 9.1323 9.1323 9.1737 9.1737 9.2372 9.2372 12.5999 12.5999 16.0918 16.0918 17.2312 17.2312 17.3791 17.3791 k = 0.0000 0.0000 0.0354 ( 1879 PWs) bands (ev): -12.2806 -12.2806 -8.8703 -8.8703 -8.7018 -8.7018 -7.9724 -7.9724 -1.4820 -1.4820 3.1286 3.1286 4.2769 4.2769 4.3450 4.3450 4.5507 4.5507 6.2273 6.2273 7.4092 7.4092 7.4917 7.4917 7.7880 7.7880 9.1291 9.1291 9.1500 9.1500 9.2156 9.2156 12.6349 12.6349 16.0993 16.0993 17.2383 17.2383 17.3990 17.3990 k = 0.0000 0.0000 0.0443 ( 1871 PWs) bands (ev): -12.2719 -12.2719 -8.8646 -8.8646 -8.7488 -8.7488 -7.9477 -7.9477 -1.4646 -1.4646 3.1478 3.1478 4.2202 4.2202 4.3596 4.3596 4.5585 4.5585 6.2604 6.2604 7.4130 7.4130 7.4472 7.4472 7.8167 7.8167 9.1100 9.1100 9.1337 9.1337 9.1901 9.1901 12.6789 12.6789 16.1089 16.1089 17.2471 17.2471 17.4247 17.4247 k = 0.0000 0.0000 0.0532 ( 1871 PWs) bands (ev): -12.2612 -12.2612 -8.8583 -8.8583 -8.8011 -8.8011 -7.9222 -7.9222 -1.4433 -1.4433 3.1712 3.1712 4.1542 4.1542 4.3774 4.3774 4.5681 4.5681 6.2972 6.2972 7.4010 7.4010 7.4177 7.4177 7.8434 7.8434 9.0700 9.0700 9.1293 9.1293 9.1620 9.1620 12.7313 12.7313 16.1205 16.1205 17.2574 17.2574 17.4559 17.4559 k = 0.0000 0.0000 0.0620 ( 1875 PWs) bands (ev): -12.2486 -12.2486 -8.8662 -8.8662 -8.8426 -8.8426 -7.8967 -7.8967 -1.4182 -1.4182 3.1986 3.1986 4.0801 4.0801 4.3983 4.3983 4.5794 4.5794 6.3365 6.3365 7.3534 7.3534 7.4231 7.4231 7.8681 7.8681 9.0211 9.0211 9.1212 9.1212 9.1358 9.1358 12.7915 12.7915 16.1338 16.1338 17.2691 17.2691 17.4927 17.4927 k = 0.0000 0.0000 0.0709 ( 1875 PWs) bands (ev): -12.2341 -12.2341 -8.9236 -8.9236 -8.8370 -8.8370 -7.8723 -7.8723 -1.3893 -1.3893 3.2301 3.2301 3.9991 3.9991 4.4224 4.4224 4.5924 4.5924 6.3767 6.3767 7.3044 7.3044 7.4294 7.4294 7.8909 7.8909 8.9653 8.9653 9.0927 9.0927 9.1275 9.1275 12.8589 12.8589 16.1488 16.1488 17.2823 17.2823 17.5345 17.5345 k = 0.0000 0.0000 0.0797 ( 1875 PWs) bands (ev): -12.2176 -12.2176 -8.9878 -8.9878 -8.8265 -8.8265 -7.8494 -7.8494 -1.3566 -1.3566 3.2655 3.2655 3.9121 3.9121 4.4497 4.4497 4.6072 4.6072 6.4167 6.4167 7.2542 7.2542 7.4365 7.4365 7.9118 7.9118 8.9036 8.9036 9.0572 9.0572 9.1238 9.1238 12.9327 12.9327 16.1652 16.1652 17.2968 17.2968 17.5812 17.5812 k = 0.0000 0.0000 0.0886 ( 1879 PWs) bands (ev): -12.1993 -12.1993 -9.0549 -9.0549 -8.8144 -8.8144 -7.8285 -7.8285 -1.3200 -1.3200 3.3046 3.3046 3.8203 3.8203 4.4802 4.4802 4.6237 4.6237 6.4552 6.4552 7.2027 7.2027 7.4444 7.4444 7.9307 7.9307 8.8367 8.8367 9.0195 9.0195 9.1203 9.1203 13.0122 13.0122 16.1829 16.1829 17.3128 17.3128 17.6322 17.6322 k = 0.0000 0.0000 0.0975 ( 1879 PWs) bands (ev): -12.1790 -12.1790 -9.1242 -9.1242 -8.8009 -8.8009 -7.8099 -7.8099 -1.2798 -1.2798 3.3474 3.3474 3.7243 3.7243 4.5137 4.5137 4.6418 4.6418 6.4911 6.4911 7.1500 7.1500 7.4531 7.4531 7.9477 7.9477 8.7654 8.7654 8.9806 8.9806 9.1165 9.1165 13.0970 13.0970 16.2016 16.2016 17.3303 17.3303 17.6871 17.6871 k = 0.0000 0.0000 0.1063 ( 1881 PWs) bands (ev): -12.1569 -12.1569 -9.1953 -9.1953 -8.7862 -8.7862 -7.7938 -7.7938 -1.2358 -1.2358 3.3934 3.3934 3.6251 3.6251 4.5503 4.5503 4.6617 4.6617 6.5234 6.5234 7.0963 7.0963 7.4625 7.4625 7.9627 7.9627 8.6902 8.6902 8.9412 8.9412 9.1125 9.1125 13.1863 13.1863 16.2210 16.2210 17.3492 17.3492 17.7454 17.7454 k = 0.0000 0.0000 0.1152 ( 1882 PWs) bands (ev): -12.1329 -12.1329 -9.2679 -9.2679 -8.7703 -8.7703 -7.7803 -7.7803 -1.1882 -1.1882 3.4403 3.4403 3.5254 3.5254 4.5900 4.5900 4.6832 4.6832 6.5513 6.5513 7.0416 7.0416 7.4726 7.4726 7.9758 7.9758 8.6115 8.6115 8.9021 8.9021 9.1080 9.1080 13.2797 13.2797 16.2408 16.2408 17.3698 17.3698 17.8066 17.8066 k = 0.0000 0.0000 0.1240 ( 1886 PWs) bands (ev): -12.1069 -12.1069 -9.3416 -9.3416 -8.7533 -8.7533 -7.7697 -7.7697 -1.1369 -1.1369 3.4104 3.4104 3.5034 3.5034 4.6327 4.6327 4.7063 4.7063 6.5737 6.5737 6.9860 6.9860 7.4835 7.4835 7.9871 7.9871 8.5299 8.5299 8.8640 8.8640 9.1032 9.1032 13.3767 13.3767 16.2606 16.2606 17.3920 17.3920 17.8702 17.8702 k = 0.0000 0.0000 0.1329 ( 1882 PWs) bands (ev): -12.0792 -12.0792 -9.4164 -9.4164 -8.7350 -8.7350 -7.7618 -7.7618 -1.0822 -1.0822 3.3057 3.3057 3.5573 3.5573 4.6783 4.6783 4.7312 4.7312 6.5901 6.5901 6.9296 6.9296 7.4950 7.4950 7.9965 7.9965 8.4456 8.4456 8.8277 8.8277 9.0980 9.0980 13.4768 13.4768 16.2801 16.2801 17.4160 17.4160 17.9355 17.9355 k = 0.0000 0.0000 0.1418 ( 1882 PWs) bands (ev): -12.0495 -12.0495 -9.4919 -9.4919 -8.7157 -8.7157 -7.7567 -7.7567 -1.0240 -1.0240 3.1968 3.1968 3.6167 3.6167 4.7269 4.7269 4.7576 4.7576 6.5995 6.5995 6.8725 6.8725 7.5072 7.5072 8.0041 8.0041 8.3590 8.3590 8.7939 8.7939 9.0923 9.0923 13.5795 13.5795 16.2986 16.2986 17.4418 17.4418 18.0018 18.0018 k = 0.0000 0.0000 0.1506 ( 1872 PWs) bands (ev): -12.0180 -12.0180 -9.5680 -9.5680 -8.6953 -8.6953 -7.7543 -7.7543 -0.9624 -0.9624 3.0861 3.0861 3.6794 3.6794 4.7783 4.7783 4.7857 4.7857 6.6016 6.6016 6.8148 6.8148 7.5200 7.5200 8.0098 8.0098 8.2704 8.2704 8.7634 8.7634 9.0862 9.0862 13.6846 13.6846 16.3158 16.3158 17.4696 17.4696 18.0686 18.0686 k = 0.0000 0.0000 0.1595 ( 1868 PWs) bands (ev): -11.9847 -11.9847 -9.6446 -9.6446 -8.6738 -8.6738 -7.7547 -7.7547 -0.8976 -0.8976 2.9741 2.9741 3.7451 3.7451 4.8151 4.8151 4.8328 4.8328 6.5957 6.5957 6.7566 6.7566 7.5334 7.5334 8.0138 8.0138 8.1799 8.1799 8.7367 8.7367 9.0796 9.0796 13.7915 13.7915 16.3312 16.3312 17.4996 17.4996 18.1352 18.1352 k = 0.0000 0.0000 0.1683 ( 1864 PWs) bands (ev): -11.9496 -11.9496 -9.7214 -9.7214 -8.6514 -8.6514 -7.7578 -7.7578 -0.8295 -0.8295 2.8609 2.8609 3.8136 3.8136 4.8463 4.8463 4.8899 4.8899 6.5817 6.5817 6.6981 6.6981 7.5474 7.5474 8.0156 8.0156 8.0883 8.0883 8.7142 8.7142 9.0725 9.0725 13.9000 13.9000 16.3441 16.3441 17.5319 17.5319 18.2007 18.2007 k = 0.0000 0.0000 0.1772 ( 1864 PWs) bands (ev): -11.9127 -11.9127 -9.7984 -9.7984 -8.6279 -8.6279 -7.7635 -7.7635 -0.7584 -0.7584 2.7469 2.7469 3.8848 3.8848 4.8790 4.8790 4.9498 4.9498 6.5592 6.5592 6.6393 6.6393 7.5619 7.5619 7.9899 7.9899 8.0209 8.0209 8.6962 8.6962 9.0649 9.0649 14.0097 14.0097 16.3541 16.3541 17.5666 17.5666 18.2643 18.2643 k = 0.0000 0.0000 0.1861 ( 1860 PWs) bands (ev): -11.8740 -11.8740 -9.8753 -9.8753 -8.6036 -8.6036 -7.7716 -7.7716 -0.6842 -0.6842 2.6323 2.6323 3.9584 3.9584 4.9132 4.9132 5.0123 5.0123 6.5283 6.5283 6.5807 6.5807 7.5770 7.5770 7.8972 7.8972 8.0179 8.0179 8.6829 8.6829 9.0567 9.0567 14.1203 14.1203 16.3606 16.3606 17.6039 17.6039 18.3253 18.3253 k = 0.0000 0.0000 0.1949 ( 1860 PWs) bands (ev): -11.8335 -11.8335 -9.9522 -9.9522 -8.5783 -8.5783 -7.7821 -7.7821 -0.6072 -0.6072 2.5172 2.5172 4.0344 4.0344 4.9489 4.9489 5.0775 5.0775 6.4887 6.4887 6.5227 6.5227 7.5925 7.5925 7.8011 7.8011 8.0154 8.0154 8.6741 8.6741 9.0480 9.0480 14.2314 14.2314 16.3632 16.3632 17.6437 17.6437 18.3829 18.3829 k = 0.0000 0.0000 0.2038 ( 1862 PWs) bands (ev): -11.7913 -11.7913 -10.0289 -10.0289 -8.5523 -8.5523 -7.7949 -7.7949 -0.5275 -0.5275 2.4018 2.4018 4.1125 4.1125 4.9861 4.9861 5.1452 5.1452 6.4406 6.4406 6.4656 6.4656 7.6084 7.6084 7.7038 7.7038 8.0117 8.0117 8.6697 8.6697 9.0388 9.0388 14.3427 14.3427 16.3612 16.3612 17.6863 17.6863 18.4361 18.4361 k = 0.0000 0.0000 0.2126 ( 1862 PWs) bands (ev): -11.7474 -11.7474 -10.1052 -10.1052 -8.5255 -8.5255 -7.8098 -7.8098 -0.4450 -0.4450 2.2862 2.2862 4.1927 4.1927 5.0246 5.0246 5.2154 5.2154 6.3858 6.3858 6.4083 6.4083 7.6054 7.6054 7.6248 7.6248 8.0066 8.0066 8.6693 8.6693 9.0289 9.0289 14.4541 14.4541 16.3545 16.3545 17.7314 17.7314 18.4841 18.4841 k = 0.0000 0.0000 0.2215 ( 1862 PWs) bands (ev): -11.7018 -11.7018 -10.1812 -10.1812 -8.4979 -8.4979 -7.8266 -7.8266 -0.3601 -0.3601 2.1706 2.1706 4.2748 4.2748 5.0646 5.0646 5.2881 5.2881 6.3271 6.3271 6.3486 6.3486 7.5065 7.5065 7.6413 7.6413 8.0003 8.0003 8.6725 8.6725 9.0185 9.0185 14.5650 14.5650 16.3425 16.3425 17.7792 17.7792 18.5260 18.5260 k = 0.0000 0.0000 0.2304 ( 1858 PWs) bands (ev): -11.6545 -11.6545 -10.2566 -10.2566 -8.4697 -8.4697 -7.8454 -7.8454 -0.2727 -0.2727 2.0550 2.0550 4.3587 4.3587 5.1060 5.1060 5.3630 5.3630 6.2655 6.2655 6.2861 6.2861 7.4070 7.4070 7.6583 7.6583 7.9928 7.9928 8.6789 8.6789 9.0075 9.0075 14.6754 14.6754 16.3250 16.3250 17.8294 17.8294 18.5612 18.5612 k = 0.0000 0.0000 0.2392 ( 1862 PWs) bands (ev): -11.6055 -11.6055 -10.3314 -10.3314 -8.4409 -8.4409 -7.8658 -7.8658 -0.1830 -0.1830 1.9397 1.9397 4.4441 4.4441 5.1486 5.1486 5.4403 5.4403 6.1999 6.1999 6.2227 6.2227 7.3070 7.3070 7.6755 7.6755 7.9842 7.9842 8.6880 8.6880 8.9958 8.9958 14.7847 14.7847 16.3018 16.3018 17.8818 17.8818 18.5889 18.5889 k = 0.0000 0.0000 0.2481 ( 1858 PWs) bands (ev): -11.5549 -11.5549 -10.4056 -10.4056 -8.4115 -8.4115 -7.8879 -7.8879 -0.0910 -0.0910 1.8246 1.8246 4.5311 4.5311 5.1926 5.1926 5.5197 5.5197 6.1290 6.1290 6.1606 6.1606 7.2068 7.2068 7.6929 7.6929 7.9744 7.9744 8.6994 8.6994 8.9836 8.9836 14.8928 14.8928 16.2728 16.2728 17.9362 17.9362 18.6087 18.6087 k = 0.0000 0.0000 0.2569 ( 1858 PWs) bands (ev): -11.5027 -11.5027 -10.4790 -10.4790 -8.3817 -8.3817 -7.9114 -7.9114 0.0030 0.0030 1.7099 1.7099 4.6193 4.6193 5.2377 5.2377 5.6012 5.6012 6.0530 6.0530 6.0999 6.0999 7.1065 7.1065 7.7104 7.7104 7.9637 7.9637 8.7127 8.7127 8.9707 8.9707 14.9993 14.9993 16.2379 16.2379 17.9922 17.9922 18.6202 18.6202 k = 0.0000 0.0000 0.2658 ( 1864 PWs) bands (ev): -11.4490 -11.4490 -10.5516 -10.5516 -8.3514 -8.3514 -7.9362 -7.9362 0.0990 0.0990 1.5958 1.5958 4.7086 4.7086 5.2841 5.2841 5.6846 5.6846 5.9731 5.9731 6.0403 6.0403 7.0062 7.0062 7.7281 7.7281 7.9520 7.9520 8.7274 8.7274 8.9572 8.9572 15.1039 15.1039 16.1970 16.1970 18.0493 18.0493 18.6233 18.6233 k = 0.0000 0.0000 0.2747 ( 1868 PWs) bands (ev): -11.3937 -11.3937 -10.6233 -10.6233 -8.3209 -8.3209 -7.9621 -7.9621 0.1968 0.1968 1.4822 1.4822 4.7989 4.7989 5.3316 5.3316 5.7698 5.7698 5.8903 5.8903 5.9815 5.9815 6.9061 6.9061 7.7457 7.7457 7.9394 7.9394 8.7432 8.7432 8.9430 8.9430 15.2062 15.2062 16.1504 16.1504 18.1071 18.1071 18.6181 18.6181 k = 0.0000 0.0000 0.2835 ( 1866 PWs) bands (ev): -11.3369 -11.3369 -10.6940 -10.6940 -8.2901 -8.2901 -7.9892 -7.9892 0.2965 0.2965 1.3692 1.3692 4.8901 4.8901 5.3802 5.3802 5.8039 5.8039 5.8573 5.8573 5.9239 5.9239 6.8064 6.8064 7.7634 7.7634 7.9260 7.9260 8.7598 8.7598 8.9283 8.9283 15.3061 15.3061 16.0980 16.0980 18.1651 18.1651 18.6047 18.6047 k = 0.0000 0.0000 0.2924 ( 1872 PWs) bands (ev): -11.2786 -11.2786 -10.7637 -10.7637 -8.2591 -8.2591 -8.0171 -8.0171 0.3978 0.3978 1.2571 1.2571 4.9818 4.9818 5.4296 5.4296 5.7173 5.7173 5.8644 5.8644 5.9477 5.9477 6.7071 6.7071 7.7810 7.7810 7.9119 7.9119 8.7770 8.7770 8.9131 8.9131 15.4031 15.4031 16.0400 16.0400 18.2227 18.2227 18.5836 18.5836 k = 0.0000 0.0000 0.3012 ( 1866 PWs) bands (ev): -11.2188 -11.2188 -10.8324 -10.8324 -8.2281 -8.2281 -8.0458 -8.0458 0.5007 0.5007 1.1458 1.1458 5.0741 5.0741 5.4791 5.4791 5.6296 5.6296 5.8080 5.8080 6.0377 6.0377 6.6085 6.6085 7.7985 7.7985 7.8971 7.8971 8.7945 8.7945 8.8973 8.8973 15.4970 15.4970 15.9768 15.9768 18.2793 18.2793 18.5555 18.5555 k = 0.0000 0.0000 0.3101 ( 1866 PWs) bands (ev): -11.1577 -11.1577 -10.8999 -10.8999 -8.1971 -8.1971 -8.0752 -8.0752 0.6050 0.6050 1.0354 1.0354 5.1665 5.1665 5.5137 5.5137 5.5565 5.5565 5.7520 5.7520 6.1297 6.1297 6.5107 6.5107 7.8158 7.8158 7.8818 7.8818 8.8121 8.8121 8.8809 8.8809 15.5874 15.5874 15.9082 15.9082 18.3341 18.3341 18.5209 18.5209 k = 0.0000 0.0000 0.3190 ( 1870 PWs) bands (ev): -11.0952 -11.0952 -10.9662 -10.9662 -8.1662 -8.1662 -8.1051 -8.1051 0.7108 0.7108 0.9260 0.9260 5.2589 5.2589 5.4414 5.4414 5.5903 5.5903 5.6967 5.6967 6.2231 6.2231 6.4137 6.4137 7.8328 7.8328 7.8659 7.8659 8.8297 8.8297 8.8642 8.8642 15.6741 15.6741 15.8348 15.8348 18.3865 18.3865 18.4807 18.4807 k = 0.0000 0.0000 0.3278 ( 1866 PWs) bands (ev): -11.0313 -11.0313 -11.0313 -11.0313 -8.1355 -8.1355 -8.1355 -8.1355 0.8178 0.8178 0.8178 0.8178 5.3508 5.3508 5.3508 5.3508 5.6425 5.6425 5.6426 5.6426 6.3178 6.3178 6.3178 6.3178 7.8496 7.8496 7.8496 7.8496 8.8471 8.8471 8.8471 8.8471 15.7566 15.7566 15.7566 15.7566 18.4356 18.4356 18.4356 18.4356 k = 0.0000 0.0000 0.3278 ( 1866 PWs) bands (ev): -11.0313 -11.0313 -11.0313 -11.0313 -8.1355 -8.1355 -8.1355 -8.1355 0.8178 0.8178 0.8178 0.8178 5.3508 5.3508 5.3508 5.3508 5.6425 5.6425 5.6426 5.6426 6.3178 6.3178 6.3178 6.3178 7.8496 7.8496 7.8496 7.8496 8.8471 8.8471 8.8471 8.8471 15.7566 15.7566 15.7566 15.7566 18.4356 18.4356 18.4356 18.4356 k = 0.0089-0.0000 0.3278 ( 1862 PWs) bands (ev): -11.0305 -11.0305 -11.0305 -11.0305 -8.1354 -8.1354 -8.1350 -8.1350 0.8182 0.8182 0.8185 0.8185 5.3064 5.3064 5.3320 5.3320 5.6581 5.6581 5.6839 5.6839 6.3167 6.3167 6.3183 6.3183 7.8471 7.8471 7.8481 7.8481 8.8464 8.8464 8.8468 8.8468 15.7587 15.7587 15.7588 15.7588 18.4398 18.4398 18.4403 18.4403 k = 0.0179-0.0000 0.3278 ( 1868 PWs) bands (ev): -11.0279 -11.0279 -11.0278 -11.0278 -8.1347 -8.1347 -8.1339 -8.1339 0.8198 0.8198 0.8204 0.8204 5.2267 5.2267 5.2634 5.2634 5.7168 5.7168 5.7538 5.7538 6.3149 6.3149 6.3181 6.3181 7.8408 7.8408 7.8427 7.8427 8.8447 8.8447 8.8455 8.8455 15.7649 15.7649 15.7651 15.7651 18.4528 18.4528 18.4538 18.4538 k = 0.0268-0.0000 0.3278 ( 1864 PWs) bands (ev): -11.0236 -11.0236 -11.0235 -11.0235 -8.1334 -8.1334 -8.1322 -8.1322 0.8224 0.8224 0.8234 0.8234 5.1322 5.1322 5.1730 5.1730 5.7903 5.7903 5.8317 5.8317 6.3128 6.3128 6.3176 6.3176 7.8308 7.8308 7.8337 7.8337 8.8420 8.8420 8.8431 8.8431 15.7752 15.7752 15.7756 15.7756 18.4744 18.4744 18.4760 18.4760 k = 0.0357-0.0000 0.3278 ( 1868 PWs) bands (ev): -11.0176 -11.0176 -11.0174 -11.0174 -8.1316 -8.1316 -8.1300 -8.1300 0.8262 0.8262 0.8275 0.8275 5.0302 5.0302 5.0729 5.0729 5.8659 5.8659 5.9094 5.9094 6.3109 6.3109 6.3175 6.3175 7.8174 7.8174 7.8213 7.8213 8.8383 8.8383 8.8398 8.8398 15.7895 15.7895 15.7900 15.7900 18.5046 18.5046 18.5067 18.5067 k = 0.0446-0.0000 0.3278 ( 1868 PWs) bands (ev): -11.0098 -11.0098 -11.0096 -11.0096 -8.1292 -8.1292 -8.1272 -8.1272 0.8310 0.8310 0.8327 0.8327 4.9237 4.9237 4.9673 4.9673 5.9381 5.9381 5.9826 5.9826 6.3109 6.3109 6.3188 6.3188 7.8010 7.8010 7.8058 7.8058 8.8336 8.8336 8.8354 8.8354 15.8076 15.8076 15.8082 15.8082 18.5430 18.5430 18.5459 18.5459 k = 0.0536-0.0000 0.3278 ( 1864 PWs) bands (ev): -11.0003 -11.0003 -11.0001 -11.0001 -8.1263 -8.1263 -8.1239 -8.1239 0.8369 0.8369 0.8389 0.8389 4.8139 4.8139 4.8581 4.8581 6.0028 6.0028 6.0468 6.0468 6.3155 6.3155 6.3240 6.3240 7.7820 7.7820 7.7878 7.7878 8.8279 8.8279 8.8299 8.8299 15.8293 15.8293 15.8299 15.8299 18.5896 18.5896 18.5933 18.5933 k = 0.0625-0.0000 0.3278 ( 1862 PWs) bands (ev): -10.9892 -10.9892 -10.9889 -10.9889 -8.1228 -8.1228 -8.1200 -8.1200 0.8439 0.8439 0.8461 0.8461 4.7016 4.7016 4.7461 4.7461 6.0549 6.0549 6.0958 6.0958 6.3302 6.3302 6.3368 6.3368 7.7609 7.7609 7.7676 7.7676 8.8211 8.8211 8.8233 8.8233 15.8542 15.8542 15.8550 15.8550 18.6438 18.6438 18.6485 18.6485 k = 0.0714-0.0000 0.3278 ( 1850 PWs) bands (ev): -10.9763 -10.9763 -10.9760 -10.9760 -8.1188 -8.1188 -8.1156 -8.1156 0.8518 0.8518 0.8543 0.8543 4.5873 4.5873 4.6320 4.6320 6.0894 6.0894 6.1236 6.1236 6.3604 6.3604 6.3616 6.3616 7.7385 7.7385 7.7462 7.7462 8.8133 8.8133 8.8157 8.8157 15.8822 15.8822 15.8831 15.8831 18.7053 18.7053 18.7111 18.7111 k = 0.0804-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.9618 -10.9618 -10.9614 -10.9614 -8.1143 -8.1143 -8.1108 -8.1108 0.8606 0.8606 0.8634 0.8634 4.4714 4.4714 4.5163 4.5163 6.1044 6.1044 6.1303 6.1303 6.3995 6.3995 6.4052 6.4052 7.7154 7.7154 7.7240 7.7240 8.8044 8.8044 8.8069 8.8069 15.9127 15.9127 15.9138 15.9138 18.7737 18.7737 18.7808 18.7808 k = 0.0893-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.9456 -10.9456 -10.9452 -10.9452 -8.1094 -8.1094 -8.1055 -8.1055 0.8702 0.8702 0.8734 0.8734 4.3543 4.3543 4.3993 4.3993 6.1027 6.1027 6.1215 6.1215 6.4473 6.4473 6.4586 6.4586 7.6924 7.6924 7.7018 7.7018 8.7945 8.7945 8.7970 8.7970 15.9456 15.9456 15.9467 15.9467 18.8483 18.8483 18.8571 18.8571 k = 0.0982-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.9277 -10.9277 -10.9273 -10.9273 -8.1041 -8.1041 -8.0999 -8.0999 0.8807 0.8807 0.8841 0.8841 4.2363 4.2363 4.2815 4.2815 6.0886 6.0886 6.1022 6.1022 6.5002 6.5002 6.5152 6.5152 7.6702 7.6702 7.6805 7.6805 8.7834 8.7834 8.7860 8.7860 15.9803 15.9803 15.9816 15.9816 18.9287 18.9287 18.9394 18.9394 k = 0.1071-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.9083 -10.9083 -10.9077 -10.9077 -8.0984 -8.0984 -8.0938 -8.0938 0.8918 0.8918 0.8956 0.8956 4.1178 4.1178 4.1630 4.1630 6.0653 6.0653 6.0751 6.0751 6.5546 6.5546 6.5716 6.5716 7.6495 7.6495 7.6607 7.6607 8.7713 8.7713 8.7739 8.7739 16.0165 16.0165 16.0180 16.0180 19.0141 19.0141 19.0270 19.0270 k = 0.1161-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.8872 -10.8872 -10.8866 -10.8866 -8.0924 -8.0924 -8.0875 -8.0875 0.9036 0.9036 0.9076 0.9076 3.9990 3.9990 4.0443 4.0443 6.0345 6.0345 6.0415 6.0415 6.6082 6.6082 6.6264 6.6264 7.6312 7.6312 7.6432 7.6432 8.7582 8.7582 8.7607 8.7607 16.0538 16.0538 16.0553 16.0553 19.1037 19.1037 19.1193 19.1193 k = 0.1250-0.0000 0.3278 ( 1852 PWs) bands (ev): -10.8645 -10.8645 -10.8639 -10.8639 -8.0861 -8.0861 -8.0808 -8.0808 0.9158 0.9158 0.9200 0.9200 3.8803 3.8803 3.9257 3.9257 5.9972 5.9972 6.0022 6.0022 6.6599 6.6599 6.6785 6.6785 7.6158 7.6158 7.6287 7.6287 8.7440 8.7440 8.7465 8.7465 16.0916 16.0916 16.0934 16.0934 19.1965 19.1965 19.2152 19.2152 k = 0.1339-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.8403 -10.8403 -10.8396 -10.8396 -8.0796 -8.0796 -8.0740 -8.0740 0.9283 0.9283 0.9328 0.9328 3.7620 3.7620 3.8075 3.8075 5.9539 5.9539 5.9573 5.9573 6.7088 6.7088 6.7273 6.7273 7.6039 7.6039 7.6176 7.6176 8.7288 8.7288 8.7312 8.7312 16.1295 16.1295 16.1315 16.1315 19.2913 19.2913 19.3136 19.3136 k = 0.1429-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.8146 -10.8146 -10.8137 -10.8137 -8.0728 -8.0728 -8.0669 -8.0669 0.9411 0.9411 0.9458 0.9458 3.6445 3.6445 3.6900 3.6900 5.9052 5.9052 5.9073 5.9073 6.7544 6.7544 6.7726 6.7726 7.5959 7.5959 7.6105 7.6105 8.7127 8.7127 8.7149 8.7149 16.1672 16.1672 16.1694 16.1694 19.3867 19.3867 19.4129 19.4129 k = 0.1518-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.7873 -10.7873 -10.7864 -10.7864 -8.0660 -8.0660 -8.0598 -8.0598 0.9538 0.9538 0.9588 0.9588 3.5280 3.5280 3.5737 3.5737 5.8512 5.8512 5.8524 5.8524 6.7966 6.7966 6.8142 6.8142 7.5922 7.5922 7.6075 7.6075 8.6956 8.6956 8.6976 8.6976 16.2042 16.2042 16.2067 16.2067 19.4805 19.4805 19.5109 19.5109 k = 0.1607-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.7586 -10.7586 -10.7576 -10.7576 -8.0590 -8.0590 -8.0526 -8.0526 0.9664 0.9664 0.9715 0.9715 3.4130 3.4130 3.4588 3.4588 5.7925 5.7925 5.7928 5.7928 6.8351 6.8351 6.8520 6.8520 7.5929 7.5929 7.6087 7.6087 8.6777 8.6777 8.6795 8.6795 16.2401 16.2401 16.2429 16.2429 19.5702 19.5702 19.6045 19.6045 k = 0.1696-0.0000 0.3278 ( 1860 PWs) bands (ev): -10.7285 -10.7285 -10.7274 -10.7274 -8.0520 -8.0520 -8.0454 -8.0454 0.9786 0.9786 0.9838 0.9838 3.2999 3.2999 3.3459 3.3459 5.7290 5.7290 5.7293 5.7293 6.8700 6.8700 6.8860 6.8860 7.5978 7.5978 7.6142 7.6142 8.6591 8.6591 8.6607 8.6607 16.2745 16.2745 16.2775 16.2775 19.6523 19.6523 19.6889 19.6889 k = 0.1786-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.6970 -10.6970 -10.6957 -10.6957 -8.0451 -8.0451 -8.0382 -8.0382 0.9900 0.9900 0.9954 0.9954 3.1890 3.1890 3.2353 3.2353 5.6613 5.6613 5.6620 5.6620 6.9014 6.9014 6.9166 6.9166 7.6067 7.6067 7.6236 7.6236 8.6397 8.6397 8.6411 8.6411 16.3070 16.3070 16.3104 16.3104 19.7225 19.7225 19.7574 19.7574 k = 0.1875-0.0000 0.3278 ( 1852 PWs) bands (ev): -10.6641 -10.6641 -10.6627 -10.6627 -8.0383 -8.0383 -8.0312 -8.0312 1.0005 1.0005 1.0060 1.0060 3.0809 3.0809 3.1274 3.1274 5.5902 5.5902 5.5913 5.5913 6.9295 6.9295 6.9438 6.9438 7.6193 7.6193 7.6364 7.6364 8.6198 8.6198 8.6210 8.6210 16.3375 16.3375 16.3412 16.3412 19.7761 19.7761 19.8027 19.8027 k = 0.1964-0.0000 0.3278 ( 1852 PWs) bands (ev): -10.6299 -10.6299 -10.6284 -10.6284 -8.0317 -8.0317 -8.0244 -8.0244 1.0096 1.0096 1.0151 1.0151 2.9760 2.9760 3.0228 3.0228 5.5162 5.5162 5.5175 5.5175 6.9545 6.9545 6.9681 6.9681 7.6349 7.6349 7.6523 7.6523 8.5995 8.5995 8.6004 8.6004 16.3654 16.3654 16.3696 16.3696 19.8094 19.8094 19.8203 19.8203 k = 0.2054-0.0000 0.3278 ( 1856 PWs) bands (ev): -10.5945 -10.5945 -10.5928 -10.5928 -8.0253 -8.0253 -8.0178 -8.0178 1.0170 1.0170 1.0225 1.0225 2.8748 2.8748 2.9220 2.9220 5.4397 5.4397 5.4411 5.4411 6.9769 6.9769 6.9897 6.9897 7.6531 7.6531 7.6705 7.6705 8.5790 8.5790 8.5796 8.5796 16.3907 16.3907 16.3953 16.3953 19.8122 19.8122 19.8217 19.8217 k = 0.2143-0.0000 0.3278 ( 1852 PWs) bands (ev): -10.5578 -10.5578 -10.5560 -10.5560 -8.0193 -8.0193 -8.0116 -8.0116 1.0222 1.0222 1.0277 1.0277 2.7780 2.7780 2.8255 2.8255 5.3611 5.3611 5.3627 5.3627 6.9968 6.9968 7.0089 7.0089 7.6731 7.6731 7.6905 7.6905 8.5584 8.5584 8.5588 8.5588 16.4131 16.4131 16.4183 16.4183 19.7850 19.7850 19.8155 19.8155 k = 0.2232-0.0000 0.3278 ( 1854 PWs) bands (ev): -10.5200 -10.5200 -10.5181 -10.5181 -8.0136 -8.0136 -8.0058 -8.0058 1.0247 1.0247 1.0301 1.0301 2.6860 2.6860 2.7340 2.7340 5.2811 5.2811 5.2826 5.2826 7.0147 7.0147 7.0262 7.0262 7.6944 7.6944 7.7116 7.7116 8.5380 8.5380 8.5381 8.5381 16.4326 16.4326 16.4382 16.4382 19.7460 19.7460 19.7950 19.7950 k = 0.2321-0.0000 0.3278 ( 1850 PWs) bands (ev): -10.4811 -10.4811 -10.4790 -10.4790 -8.0084 -8.0084 -8.0005 -8.0005 1.0240 1.0240 1.0293 1.0293 2.5995 2.5995 2.6480 2.6480 5.2001 5.2001 5.2015 5.2015 7.0307 7.0307 7.0417 7.0417 7.7163 7.7163 7.7332 7.7332 8.5179 8.5179 8.5180 8.5180 16.4490 16.4490 16.4551 16.4551 19.7004 19.7004 19.7649 19.7649 k = 0.2411-0.0000 0.3278 ( 1850 PWs) bands (ev): -10.4412 -10.4412 -10.4389 -10.4389 -8.0038 -8.0038 -7.9958 -7.9958 1.0195 1.0195 1.0248 1.0248 2.5192 2.5192 2.5682 2.5682 5.1184 5.1184 5.1198 5.1198 7.0451 7.0451 7.0557 7.0557 7.7381 7.7381 7.7548 7.7548 8.4985 8.4985 8.4987 8.4987 16.4622 16.4622 16.4689 16.4689 19.6516 19.6516 19.7288 19.7288 k = 0.2500-0.0000 0.3278 ( 1854 PWs) bands (ev): -10.4004 -10.4004 -10.3978 -10.3978 -7.9997 -7.9997 -7.9917 -7.9917 1.0109 1.0109 1.0160 1.0160 2.4454 2.4454 2.4950 2.4950 5.0366 5.0366 5.0378 5.0378 7.0580 7.0580 7.0683 7.0683 7.7593 7.7593 7.7756 7.7756 8.4801 8.4801 8.4805 8.4805 16.4724 16.4724 16.4796 16.4796 19.6017 19.6017 19.6891 19.6891 k = 0.2589-0.0000 0.3278 ( 1858 PWs) bands (ev): -10.3586 -10.3586 -10.3559 -10.3559 -7.9964 -7.9964 -7.9883 -7.9883 0.9975 0.9975 1.0026 1.0026 2.3789 2.3789 2.4290 2.4290 4.9552 4.9552 4.9562 4.9562 7.0696 7.0696 7.0795 7.0795 7.7794 7.7794 7.7952 7.7952 8.4632 8.4632 8.4638 8.4638 16.4796 16.4796 16.4873 16.4873 19.5519 19.5519 19.6478 19.6478 k = 0.2679-0.0000 0.3278 ( 1862 PWs) bands (ev): -10.3161 -10.3161 -10.3131 -10.3131 -7.9937 -7.9937 -7.9857 -7.9857 0.9792 0.9792 0.9842 0.9842 2.3199 2.3199 2.3706 2.3706 4.8744 4.8744 4.8752 4.8752 7.0798 7.0798 7.0896 7.0896 7.7977 7.7977 7.8132 7.8132 8.4481 8.4481 8.4488 8.4488 16.4839 16.4839 16.4921 16.4921 19.5031 19.5031 19.6061 19.6061 k = 0.2768-0.0000 0.3278 ( 1858 PWs) bands (ev): -10.2728 -10.2728 -10.2696 -10.2696 -7.9919 -7.9919 -7.9839 -7.9839 0.9557 0.9557 0.9607 0.9607 2.2685 2.2685 2.3198 2.3198 4.7948 4.7948 4.7952 4.7952 7.0888 7.0888 7.0983 7.0983 7.8140 7.8140 7.8290 7.8290 8.4352 8.4352 8.4361 8.4361 16.4855 16.4855 16.4942 16.4942 19.4557 19.4557 19.5647 19.5647 k = 0.2857-0.0000 0.3278 ( 1858 PWs) bands (ev): -10.2290 -10.2290 -10.2254 -10.2254 -7.9910 -7.9910 -7.9830 -7.9830 0.9272 0.9272 0.9322 0.9322 2.2247 2.2247 2.2765 2.2765 4.7166 4.7166 4.7167 4.7167 7.0964 7.0964 7.1058 7.1058 7.8279 7.8279 7.8423 7.8423 8.4250 8.4250 8.4259 8.4259 16.4846 16.4846 16.4938 16.4938 19.4099 19.4099 19.5241 19.5241 k = 0.2946-0.0000 0.3278 ( 1860 PWs) bands (ev): -10.1845 -10.1845 -10.1807 -10.1807 -7.9909 -7.9909 -7.9831 -7.9831 0.8939 0.8939 0.8990 0.8990 2.1882 2.1882 2.2405 2.2405 4.6400 4.6400 4.6403 4.6403 7.1027 7.1027 7.1120 7.1120 7.8389 7.8389 7.8529 7.8529 8.4176 8.4176 8.4186 8.4186 16.4813 16.4813 16.4910 16.4910 19.3659 19.3659 19.4846 19.4846 k = 0.3036-0.0000 0.3278 ( 1864 PWs) bands (ev): -10.1397 -10.1397 -10.1356 -10.1356 -7.9919 -7.9919 -7.9842 -7.9842 0.8565 0.8565 0.8617 0.8617 2.1584 2.1584 2.2113 2.2113 4.5654 4.5654 4.5662 4.5662 7.1075 7.1075 7.1168 7.1168 7.8472 7.8472 7.8607 7.8607 8.4133 8.4133 8.4143 8.4143 16.4760 16.4760 16.4861 16.4861 19.3238 19.3238 19.4464 19.4464 k = 0.3125-0.0000 0.3278 ( 1868 PWs) bands (ev): -10.0946 -10.0946 -10.0902 -10.0902 -7.9938 -7.9938 -7.9863 -7.9863 0.8155 0.8155 0.8209 0.8209 2.1347 2.1347 2.1881 2.1881 4.4934 4.4934 4.4946 4.4946 7.1108 7.1108 7.1202 7.1202 7.8525 7.8525 7.8656 7.8656 8.4121 8.4121 8.4131 8.4131 16.4688 16.4688 16.4793 16.4793 19.2835 19.2835 19.4097 19.4097 k = 0.3214-0.0000 0.3278 ( 1862 PWs) bands (ev): -10.0493 -10.0493 -10.0445 -10.0445 -7.9967 -7.9967 -7.9894 -7.9894 0.7718 0.7718 0.7773 0.7773 2.1163 2.1163 2.1702 2.1702 4.4240 4.4240 4.4258 4.4258 7.1127 7.1127 7.1221 7.1221 7.8553 7.8553 7.8680 7.8680 8.4140 8.4140 8.4148 8.4148 16.4601 16.4601 16.4710 16.4710 19.2451 19.2451 19.3744 19.3744 k = 0.3304-0.0000 0.3278 ( 1862 PWs) bands (ev): -10.0040 -10.0040 -9.9988 -9.9988 -8.0007 -8.0007 -7.9937 -7.9937 0.7261 0.7261 0.7318 0.7318 2.1022 2.1022 2.1567 2.1567 4.3577 4.3577 4.3600 4.3600 7.1128 7.1128 7.1224 7.1224 7.8558 7.8558 7.8681 7.8681 8.4185 8.4185 8.4192 8.4192 16.4501 16.4501 16.4613 16.4613 19.2086 19.2086 19.3407 19.3407 k = 0.3393-0.0000 0.3278 ( 1866 PWs) bands (ev): -9.9587 -9.9587 -9.9532 -9.9532 -8.0057 -8.0057 -7.9990 -7.9990 0.6794 0.6794 0.6851 0.6851 2.0916 2.0916 2.1468 2.1468 4.2948 4.2948 4.2976 4.2976 7.1114 7.1114 7.1212 7.1212 7.8545 7.8545 7.8664 7.8664 8.4254 8.4254 8.4259 8.4259 16.4389 16.4389 16.4505 16.4505 19.1738 19.1738 19.3085 19.3085 k = 0.3482-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.9137 -9.9137 -9.9078 -9.9078 -8.0118 -8.0118 -8.0053 -8.0053 0.6322 0.6322 0.6380 0.6380 2.0839 2.0839 2.1397 2.1397 4.2353 4.2353 4.2387 4.2387 7.1083 7.1083 7.1183 7.1183 7.8518 7.8518 7.8633 7.8633 8.4343 8.4343 8.4345 8.4345 16.4271 16.4271 16.4390 16.4390 19.1409 19.1409 19.2779 19.2779 k = 0.3571-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.8692 -9.8692 -9.8629 -9.8629 -8.0188 -8.0188 -8.0127 -8.0127 0.5853 0.5853 0.5911 0.5911 2.0782 2.0782 2.1348 2.1348 4.1795 4.1795 4.1835 4.1835 7.1037 7.1037 7.1139 7.1139 7.8481 7.8481 7.8593 7.8593 8.4446 8.4446 8.4447 8.4447 16.4147 16.4147 16.4268 16.4268 19.1097 19.1097 19.2487 19.2487 k = 0.3661-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.8253 -9.8253 -9.8185 -9.8185 -8.0268 -8.0268 -8.0210 -8.0210 0.5393 0.5393 0.5451 0.5451 2.0740 2.0740 2.1314 2.1314 4.1276 4.1276 4.1322 4.1322 7.0975 7.0975 7.1080 7.1080 7.8440 7.8440 7.8549 7.8549 8.4558 8.4558 8.4562 8.4562 16.4019 16.4019 16.4143 16.4143 19.0802 19.0802 19.2212 19.2212 k = 0.3750-0.0000 0.3278 ( 1866 PWs) bands (ev): -9.7822 -9.7822 -9.7750 -9.7750 -8.0356 -8.0356 -8.0303 -8.0303 0.4947 0.4947 0.5004 0.5004 2.0709 2.0709 2.1291 2.1291 4.0797 4.0797 4.0848 4.0848 7.0900 7.0900 7.1008 7.1008 7.8398 7.8398 7.8503 7.8503 8.4677 8.4677 8.4684 8.4684 16.3890 16.3890 16.4016 16.4016 19.0525 19.0525 19.1952 19.1952 k = 0.3839-0.0000 0.3278 ( 1866 PWs) bands (ev): -9.7402 -9.7402 -9.7325 -9.7325 -8.0452 -8.0452 -8.0403 -8.0403 0.4519 0.4519 0.4575 0.4575 2.0683 2.0683 2.1273 2.1273 4.0357 4.0357 4.0415 4.0415 7.0813 7.0813 7.0925 7.0925 7.8356 7.8356 7.8459 7.8459 8.4799 8.4799 8.4809 8.4809 16.3762 16.3762 16.3890 16.3890 19.0265 19.0265 19.1707 19.1707 k = 0.3929-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.6994 -9.6994 -9.6913 -9.6913 -8.0554 -8.0554 -8.0510 -8.0510 0.4113 0.4113 0.4167 0.4167 2.0661 2.0661 2.1260 2.1260 3.9959 3.9959 4.0021 4.0021 7.0717 7.0717 7.0832 7.0832 7.8318 7.8318 7.8419 7.8419 8.4921 8.4921 8.4935 8.4935 16.3637 16.3637 16.3767 16.3767 19.0023 19.0023 19.1479 19.1479 k = 0.4018-0.0000 0.3278 ( 1866 PWs) bands (ev): -9.6603 -9.6603 -9.6516 -9.6516 -8.0661 -8.0661 -8.0622 -8.0622 0.3732 0.3732 0.3784 0.3784 2.0640 2.0640 2.1247 2.1247 3.9600 3.9600 3.9668 3.9668 7.0613 7.0613 7.0732 7.0732 7.8284 7.8284 7.8383 7.8383 8.5041 8.5041 8.5058 8.5058 16.3516 16.3516 16.3648 16.3648 18.9798 18.9798 19.1267 19.1267 k = 0.4107-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.6229 -9.6229 -9.6137 -9.6137 -8.0771 -8.0771 -8.0737 -8.0737 0.3378 0.3378 0.3429 0.3429 2.0619 2.0619 2.1233 2.1233 3.9281 3.9281 3.9353 3.9353 7.0506 7.0506 7.0628 7.0628 7.8256 7.8256 7.8352 7.8352 8.5157 8.5157 8.5177 8.5177 16.3402 16.3402 16.3534 16.3534 18.9592 18.9592 19.1072 19.1072 k = 0.4196-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.5877 -9.5877 -9.5780 -9.5780 -8.0882 -8.0882 -8.0853 -8.0853 0.3053 0.3053 0.3102 0.3102 2.0597 2.0597 2.1218 2.1218 3.9000 3.9000 3.9076 3.9076 7.0397 7.0397 7.0523 7.0523 7.8232 7.8232 7.8326 7.8326 8.5266 8.5266 8.5290 8.5290 16.3294 16.3294 16.3428 16.3428 18.9403 18.9403 19.0894 19.0894 k = 0.4286-0.0000 0.3278 ( 1856 PWs) bands (ev): -9.5548 -9.5548 -9.5447 -9.5447 -8.0992 -8.0992 -8.0968 -8.0968 0.2760 0.2760 0.2806 0.2806 2.0574 2.0574 2.1202 2.1202 3.8755 3.8755 3.8836 3.8836 7.0290 7.0290 7.0419 7.0419 7.8213 7.8213 7.8305 7.8305 8.5367 8.5367 8.5394 8.5394 16.3195 16.3195 16.3329 16.3329 18.9233 18.9233 19.0733 19.0733 k = 0.4375-0.0000 0.3278 ( 1860 PWs) bands (ev): -9.5248 -9.5248 -9.5142 -9.5142 -8.1098 -8.1098 -8.1079 -8.1079 0.2498 0.2498 0.2542 0.2542 2.0550 2.0550 2.1185 2.1185 3.8546 3.8546 3.8630 3.8630 7.0187 7.0187 7.0319 7.0319 7.8199 7.8199 7.8289 7.8289 8.5459 8.5459 8.5489 8.5489 16.3104 16.3104 16.3240 16.3240 18.9083 18.9083 19.0590 19.0590 k = 0.4464-0.0000 0.3278 ( 1858 PWs) bands (ev): -9.4979 -9.4979 -9.4868 -9.4868 -8.1198 -8.1198 -8.1183 -8.1183 0.2270 0.2270 0.2312 0.2312 2.0527 2.0527 2.1167 2.1167 3.8370 3.8370 3.8457 3.8457 7.0092 7.0092 7.0227 7.0227 7.8188 7.8188 7.8277 7.8277 8.5541 8.5541 8.5573 8.5573 16.3025 16.3025 16.3161 16.3161 18.8951 18.8951 19.0465 19.0465 k = 0.4554-0.0000 0.3278 ( 1862 PWs) bands (ev): -9.4744 -9.4744 -9.4629 -9.4629 -8.1289 -8.1289 -8.1278 -8.1278 0.2075 0.2075 0.2116 0.2116 2.0505 2.0505 2.1150 2.1150 3.8225 3.8225 3.8314 3.8314 7.0007 7.0007 7.0144 7.0144 7.8180 7.8180 7.8268 7.8268 8.5612 8.5612 8.5646 8.5646 16.2956 16.2956 16.3093 16.3093 18.8839 18.8839 19.0358 19.0358 k = 0.4643-0.0000 0.3278 ( 1870 PWs) bands (ev): -9.4546 -9.4546 -9.4428 -9.4428 -8.1368 -8.1368 -8.1360 -8.1360 0.1915 0.1915 0.1955 0.1955 2.0485 2.0485 2.1134 2.1134 3.8110 3.8110 3.8200 3.8200 6.9934 6.9934 7.0073 7.0073 7.8175 7.8175 7.8262 7.8262 8.5671 8.5671 8.5706 8.5706 16.2898 16.2898 16.3036 16.3036 18.8747 18.8747 19.0271 19.0271 k = 0.4732-0.0000 0.3278 ( 1872 PWs) bands (ev): -9.4389 -9.4389 -9.4267 -9.4267 -8.1432 -8.1432 -8.1428 -8.1428 0.1790 0.1790 0.1829 0.1829 2.0468 2.0468 2.1120 2.1120 3.8022 3.8022 3.8114 3.8114 6.9875 6.9875 7.0016 7.0016 7.8171 7.8171 7.8257 7.8257 8.5717 8.5717 8.5754 8.5754 16.2853 16.2853 16.2991 16.2991 18.8675 18.8675 19.0203 19.0203 k = 0.4821-0.0000 0.3278 ( 1872 PWs) bands (ev): -9.4275 -9.4275 -9.4151 -9.4151 -8.1479 -8.1479 -8.1477 -8.1477 0.1701 0.1701 0.1738 0.1738 2.0456 2.0456 2.1110 2.1110 3.7960 3.7960 3.8053 3.8053 6.9832 6.9832 6.9974 6.9974 7.8169 7.8169 7.8255 7.8255 8.5750 8.5750 8.5788 8.5788 16.2821 16.2821 16.2959 16.2959 18.8624 18.8624 19.0154 19.0154 k = 0.4911-0.0000 0.3278 ( 1872 PWs) bands (ev): -9.4205 -9.4205 -9.4080 -9.4080 -8.1509 -8.1509 -8.1508 -8.1508 0.1647 0.1647 0.1684 0.1684 2.0448 2.0448 2.1103 2.1103 3.7924 3.7924 3.8017 3.8017 6.9806 6.9806 6.9948 6.9948 7.8168 7.8168 7.8253 7.8253 8.5770 8.5770 8.5809 8.5809 16.2801 16.2801 16.2940 16.2940 18.8593 18.8593 19.0124 19.0124 k = 0.5000-0.0000 0.3278 ( 1872 PWs) bands (ev): -9.4182 -9.4182 -9.4057 -9.4057 -8.1519 -8.1519 -8.1519 -8.1519 0.1630 0.1630 0.1666 0.1666 2.0445 2.0445 2.1101 2.1101 3.7912 3.7912 3.8005 3.8005 6.9797 6.9797 6.9940 6.9940 7.8167 7.8167 7.8253 7.8253 8.5777 8.5777 8.5816 8.5816 16.2795 16.2795 16.2933 16.2933 18.8582 18.8582 19.0114 19.0114 k = 0.5000-0.0000 0.3278 ( 1872 PWs) bands (ev): -9.4182 -9.4182 -9.4057 -9.4057 -8.1519 -8.1519 -8.1519 -8.1519 0.1630 0.1630 0.1666 0.1666 2.0445 2.0445 2.1101 2.1101 3.7912 3.7912 3.8005 3.8005 6.9797 6.9797 6.9940 6.9940 7.8167 7.8167 7.8253 7.8253 8.5777 8.5777 8.5816 8.5816 16.2795 16.2795 16.2933 16.2933 18.8582 18.8582 19.0114 19.0114 k = 0.5000 0.0088 0.3278 ( 1872 PWs) bands (ev): -9.4179 -9.4179 -9.4053 -9.4053 -8.1520 -8.1520 -8.1520 -8.1520 0.1588 0.1588 0.1626 0.1626 2.0488 2.0488 2.1143 2.1143 3.7903 3.7903 3.7997 3.7997 6.9815 6.9815 6.9957 6.9957 7.8174 7.8174 7.8259 7.8259 8.5772 8.5772 8.5811 8.5811 16.2745 16.2745 16.2881 16.2881 18.8639 18.8639 19.0167 19.0167 k = 0.5000 0.0176 0.3278 ( 1868 PWs) bands (ev): -9.4169 -9.4169 -9.4044 -9.4044 -8.1523 -8.1523 -8.1523 -8.1523 0.1466 0.1466 0.1505 0.1505 2.0615 2.0615 2.1266 2.1266 3.7878 3.7878 3.7972 3.7972 6.9867 6.9867 7.0011 7.0011 7.8192 7.8192 7.8277 7.8277 8.5756 8.5756 8.5796 8.5796 16.2598 16.2598 16.2725 16.2725 18.8806 18.8806 19.0324 19.0324 k = 0.5000 0.0263 0.3278 ( 1864 PWs) bands (ev): -9.4152 -9.4152 -9.4027 -9.4027 -8.1530 -8.1530 -8.1529 -8.1529 0.1266 0.1266 0.1310 0.1310 2.0820 2.0820 2.1465 2.1465 3.7840 3.7840 3.7933 3.7933 6.9953 6.9953 7.0098 7.0098 7.8222 7.8222 7.8308 7.8308 8.5731 8.5731 8.5772 8.5772 16.2357 16.2357 16.2472 16.2472 18.9080 18.9080 19.0580 19.0580 k = 0.5000 0.0351 0.3278 ( 1864 PWs) bands (ev): -9.4129 -9.4129 -9.4005 -9.4005 -8.1538 -8.1538 -8.1538 -8.1538 0.0996 0.0996 0.1045 0.1045 2.1094 2.1094 2.1732 2.1732 3.7792 3.7792 3.7884 3.7884 7.0069 7.0069 7.0215 7.0215 7.8264 7.8264 7.8350 7.8350 8.5697 8.5697 8.5739 8.5739 16.2029 16.2029 16.2129 16.2129 18.9451 18.9451 19.0928 19.0928 k = 0.5000 0.0439 0.3278 ( 1868 PWs) bands (ev): -9.4100 -9.4100 -9.3976 -9.3976 -8.1549 -8.1549 -8.1549 -8.1549 0.0665 0.0665 0.0719 0.0719 2.1426 2.1426 2.2055 2.2055 3.7740 3.7740 3.7830 3.7830 7.0212 7.0212 7.0361 7.0361 7.8317 7.8317 7.8403 7.8403 8.5656 8.5656 8.5699 8.5699 16.1624 16.1624 16.1705 16.1705 18.9910 18.9910 19.1361 19.1361 k = 0.5000 0.0527 0.3278 ( 1868 PWs) bands (ev): -9.4064 -9.4064 -9.3941 -9.3941 -8.1563 -8.1563 -8.1562 -8.1562 0.0280 0.0280 0.0339 0.0339 2.1803 2.1803 2.2420 2.2420 3.7692 3.7692 3.7779 3.7779 7.0377 7.0377 7.0529 7.0529 7.8381 7.8381 7.8466 7.8466 8.5608 8.5608 8.5653 8.5653 16.1151 16.1151 16.1213 16.1213 19.0446 19.0446 19.1867 19.1867 k = 0.5000 0.0615 0.3278 ( 1868 PWs) bands (ev): -9.4022 -9.4022 -9.3900 -9.3900 -8.1578 -8.1578 -8.1577 -8.1577 -0.0149 -0.0149 -0.0084 -0.0084 2.2210 2.2210 2.2814 2.2814 3.7655 3.7655 3.7738 3.7738 7.0560 7.0560 7.0715 7.0715 7.8454 7.8454 7.8539 7.8539 8.5557 8.5557 8.5604 8.5604 16.0622 16.0622 16.0664 16.0664 19.1047 19.1047 19.2436 19.2436 k = 0.5000 0.0702 0.3278 ( 1872 PWs) bands (ev): -9.3974 -9.3974 -9.3853 -9.3853 -8.1597 -8.1597 -8.1595 -8.1595 -0.0613 -0.0613 -0.0543 -0.0543 2.2632 2.2632 2.3221 2.3221 3.7642 3.7642 3.7718 3.7718 7.0754 7.0754 7.0913 7.0913 7.8536 7.8536 7.8622 7.8622 8.5503 8.5503 8.5553 8.5553 16.0045 16.0045 16.0068 16.0068 19.1703 19.1703 19.3058 19.3058 k = 0.5000 0.0790 0.3278 ( 1872 PWs) bands (ev): -9.3921 -9.3921 -9.3801 -9.3801 -8.1618 -8.1618 -8.1615 -8.1615 -0.1104 -0.1104 -0.1030 -0.1030 2.3053 2.3053 2.3625 2.3625 3.7662 3.7662 3.7729 3.7729 7.0952 7.0952 7.1116 7.1116 7.8626 7.8626 7.8712 7.8712 8.5452 8.5452 8.5504 8.5504 15.9433 15.9433 15.9437 15.9437 19.2404 19.2404 19.3723 19.3723 k = 0.5000 0.0878 0.3278 ( 1872 PWs) bands (ev): -9.3862 -9.3862 -9.3744 -9.3744 -8.1641 -8.1641 -8.1638 -8.1638 -0.1616 -0.1616 -0.1538 -0.1538 2.3459 2.3459 2.4011 2.4011 3.7728 3.7728 3.7783 3.7783 7.1149 7.1149 7.1318 7.1318 7.8723 7.8723 7.8808 7.8808 8.5404 8.5404 8.5460 8.5460 15.8781 15.8781 15.8794 15.8794 19.3139 19.3139 19.4423 19.4423 k = 0.5000 0.0966 0.3278 ( 1872 PWs) bands (ev): -9.3798 -9.3798 -9.3681 -9.3681 -8.1666 -8.1666 -8.1663 -8.1663 -0.2141 -0.2141 -0.2060 -0.2060 2.3835 2.3835 2.4363 2.4363 3.7852 3.7852 3.7892 3.7892 7.1336 7.1336 7.1512 7.1512 7.8826 7.8826 7.8911 7.8911 8.5363 8.5363 8.5422 8.5422 15.8107 15.8107 15.8136 15.8136 19.3900 19.3900 19.5147 19.5147 k = 0.5000 0.1054 0.3278 ( 1872 PWs) bands (ev): -9.3729 -9.3729 -9.3614 -9.3614 -8.1693 -8.1693 -8.1690 -8.1690 -0.2675 -0.2675 -0.2591 -0.2591 2.4168 2.4168 2.4669 2.4669 3.8044 3.8044 3.8066 3.8066 7.1507 7.1507 7.1689 7.1689 7.8935 7.8935 7.9019 7.9019 8.5333 8.5333 8.5395 8.5395 15.7426 15.7426 15.7468 15.7468 19.4679 19.4679 19.5889 19.5889 k = 0.5000 0.1141 0.3278 ( 1872 PWs) bands (ev): -9.3655 -9.3655 -9.3542 -9.3542 -8.1723 -8.1723 -8.1719 -8.1719 -0.3212 -0.3212 -0.3126 -0.3126 2.4447 2.4447 2.4918 2.4918 3.8314 3.8314 3.8315 3.8315 7.1653 7.1653 7.1842 7.1842 7.9049 7.9049 7.9131 7.9131 8.5316 8.5316 8.5381 8.5381 15.6743 15.6743 15.6796 15.6796 19.5469 19.5469 19.6642 19.6642 k = 0.5000 0.1229 0.3278 ( 1872 PWs) bands (ev): -9.3578 -9.3578 -9.3467 -9.3467 -8.1755 -8.1755 -8.1750 -8.1750 -0.3748 -0.3748 -0.3660 -0.3660 2.4665 2.4665 2.5104 2.5104 3.8644 3.8644 3.8669 3.8669 7.1768 7.1768 7.1965 7.1965 7.9167 7.9167 7.9249 7.9249 8.5314 8.5314 8.5382 8.5382 15.6065 15.6065 15.6128 15.6128 19.6265 19.6265 19.7399 19.7399 k = 0.5000 0.1317 0.3278 ( 1880 PWs) bands (ev): -9.3496 -9.3496 -9.3387 -9.3387 -8.1789 -8.1789 -8.1783 -8.1783 -0.4279 -0.4279 -0.4191 -0.4191 2.4818 2.4818 2.5223 2.5223 3.9056 3.9056 3.9109 3.9109 7.1844 7.1844 7.2049 7.2049 7.9292 7.9292 7.9371 7.9371 8.5329 8.5329 8.5400 8.5400 15.5397 15.5397 15.5468 15.5468 19.7059 19.7059 19.8155 19.8155 k = 0.5000 0.1405 0.3278 ( 1876 PWs) bands (ev): -9.3411 -9.3411 -9.3305 -9.3305 -8.1825 -8.1825 -8.1819 -8.1819 -0.4802 -0.4802 -0.4715 -0.4715 2.4906 2.4906 2.5277 2.5277 3.9552 3.9552 3.9632 3.9632 7.1876 7.1876 7.2088 7.2088 7.9423 7.9423 7.9500 7.9500 8.5362 8.5362 8.5436 8.5436 15.4745 15.4745 15.4823 15.4823 19.7848 19.7848 19.8905 19.8905 k = 0.5000 0.1492 0.3278 ( 1876 PWs) bands (ev): -9.3324 -9.3324 -9.3220 -9.3220 -8.1862 -8.1862 -8.1856 -8.1856 -0.5315 -0.5315 -0.5228 -0.5228 2.4933 2.4933 2.5270 2.5270 4.0127 4.0127 4.0234 4.0234 7.1857 7.1857 7.2077 7.2077 7.9562 7.9562 7.9637 7.9637 8.5413 8.5413 8.5489 8.5489 15.4112 15.4112 15.4195 15.4195 19.8627 19.8627 19.9643 19.9643 k = 0.5000 0.1580 0.3278 ( 1876 PWs) bands (ev): -9.3234 -9.3234 -9.3133 -9.3133 -8.1901 -8.1901 -8.1894 -8.1894 -0.5815 -0.5815 -0.5729 -0.5729 2.4904 2.4904 2.5210 2.5210 4.0775 4.0775 4.0908 4.0908 7.1783 7.1783 7.2011 7.2011 7.9710 7.9710 7.9783 7.9783 8.5481 8.5481 8.5558 8.5558 15.3504 15.3504 15.3590 15.3590 19.9392 19.9392 20.0365 20.0365 k = 0.5000 0.1668 0.3278 ( 1876 PWs) bands (ev): -9.3142 -9.3142 -9.3045 -9.3045 -8.1942 -8.1942 -8.1934 -8.1934 -0.6300 -0.6300 -0.6216 -0.6216 2.4829 2.4829 2.5105 2.5105 4.1488 4.1488 4.1644 4.1644 7.1652 7.1652 7.1887 7.1887 7.9868 7.9868 7.9938 7.9938 8.5563 8.5563 8.5640 8.5640 15.2922 15.2922 15.3009 15.3009 20.0138 20.0138 20.1068 20.1068 k = 0.5000 0.1756 0.3278 ( 1868 PWs) bands (ev): -9.3049 -9.3049 -9.2955 -9.2955 -8.1983 -8.1983 -8.1975 -8.1975 -0.6768 -0.6768 -0.6686 -0.6686 2.4714 2.4714 2.4962 2.4962 4.2258 4.2258 4.2435 4.2435 7.1463 7.1463 7.1704 7.1704 8.0037 8.0037 8.0105 8.0105 8.5656 8.5656 8.5733 8.5733 15.2369 15.2369 15.2458 15.2458 20.0862 20.0862 20.1746 20.1746 k = 0.5000 0.1844 0.3278 ( 1872 PWs) bands (ev): -9.2956 -9.2956 -9.2865 -9.2865 -8.2026 -8.2026 -8.2017 -8.2017 -0.7218 -0.7218 -0.7138 -0.7138 2.4568 2.4568 2.4791 2.4791 4.3075 4.3075 4.3272 4.3272 7.1215 7.1215 7.1462 7.1462 8.0217 8.0217 8.0283 8.0283 8.5755 8.5755 8.5832 8.5832 15.1848 15.1848 15.1936 15.1936 20.1560 20.1560 20.2397 20.2397 k = 0.5000 0.1931 0.3278 ( 1868 PWs) bands (ev): -9.2862 -9.2862 -9.2775 -9.2775 -8.2068 -8.2068 -8.2060 -8.2060 -0.7647 -0.7647 -0.7571 -0.7571 2.4399 2.4399 2.4599 2.4599 4.3934 4.3934 4.4147 4.4147 7.0909 7.0909 7.1161 7.1161 8.0408 8.0408 8.0472 8.0472 8.5859 8.5859 8.5935 8.5935 15.1360 15.1360 15.1446 15.1446 20.2229 20.2229 20.3017 20.3017 k = 0.5000 0.2019 0.3278 ( 1864 PWs) bands (ev): -9.2769 -9.2769 -9.2686 -9.2686 -8.2112 -8.2112 -8.2103 -8.2103 -0.8056 -0.8056 -0.7982 -0.7982 2.4213 2.4213 2.4393 2.4393 4.4825 4.4825 4.5053 4.5053 7.0548 7.0548 7.0805 7.0805 8.0608 8.0608 8.0671 8.0671 8.5963 8.5963 8.6037 8.6037 15.0906 15.0906 15.0990 15.0990 20.2865 20.2865 20.3601 20.3601 k = 0.5000 0.2107 0.3278 ( 1864 PWs) bands (ev): -9.2678 -9.2678 -9.2598 -9.2598 -8.2155 -8.2155 -8.2146 -8.2146 -0.8442 -0.8442 -0.8372 -0.8372 2.4018 2.4018 2.4179 2.4179 4.5743 4.5743 4.5982 4.5982 7.0134 7.0134 7.0395 7.0395 8.0817 8.0817 8.0878 8.0878 8.6062 8.6062 8.6135 8.6135 15.0487 15.0487 15.0569 15.0569 20.3465 20.3465 20.4147 20.4147 k = 0.5000 0.2195 0.3278 ( 1864 PWs) bands (ev): -9.2588 -9.2588 -9.2513 -9.2513 -8.2198 -8.2198 -8.2188 -8.2188 -0.8805 -0.8805 -0.8739 -0.8739 2.3817 2.3817 2.3961 2.3961 4.6680 4.6680 4.6931 4.6931 6.9671 6.9671 6.9936 6.9936 8.1032 8.1032 8.1092 8.1092 8.6155 8.6155 8.6226 8.6226 15.0104 15.0104 15.0181 15.0181 20.4025 20.4025 20.4652 20.4652 k = 0.5000 0.2283 0.3278 ( 1868 PWs) bands (ev): -9.2501 -9.2501 -9.2430 -9.2430 -8.2240 -8.2240 -8.2230 -8.2230 -0.9144 -0.9144 -0.9082 -0.9082 2.3617 2.3617 2.3745 2.3745 4.7633 4.7633 4.7892 4.7892 6.9162 6.9162 6.9430 6.9430 8.1252 8.1252 8.1309 8.1309 8.6237 8.6237 8.6306 8.6306 14.9755 14.9755 14.9829 14.9829 20.4542 20.4542 20.5113 20.5113 k = 0.5000 0.2370 0.3278 ( 1876 PWs) bands (ev): -9.2417 -9.2417 -9.2351 -9.2351 -8.2281 -8.2281 -8.2271 -8.2271 -0.9458 -0.9458 -0.9400 -0.9400 2.3421 2.3421 2.3535 2.3535 4.8595 4.8595 4.8861 4.8861 6.8612 6.8612 6.8882 6.8882 8.1473 8.1473 8.1529 8.1529 8.6308 8.6308 8.6374 8.6374 14.9442 14.9442 14.9511 14.9511 20.5014 20.5014 20.5527 20.5527 k = 0.5000 0.2458 0.3278 ( 1884 PWs) bands (ev): -9.2337 -9.2337 -9.2277 -9.2277 -8.2320 -8.2320 -8.2311 -8.2311 -0.9746 -0.9746 -0.9693 -0.9693 2.3233 2.3233 2.3333 2.3333 4.9561 4.9561 4.9832 4.9832 6.8023 6.8023 6.8295 6.8295 8.1693 8.1693 8.1747 8.1747 8.6365 8.6365 8.6428 8.6428 14.9162 14.9162 14.9226 14.9226 20.5439 20.5439 20.5894 20.5894 k = 0.5000 0.2546 0.3278 ( 1880 PWs) bands (ev): -9.2262 -9.2262 -9.2207 -9.2207 -8.2357 -8.2357 -8.2348 -8.2348 -1.0008 -1.0008 -0.9960 -0.9960 2.3055 2.3055 2.3143 2.3143 5.0528 5.0528 5.0802 5.0802 6.7402 6.7402 6.7675 6.7675 8.1910 8.1910 8.1962 8.1962 8.6409 8.6409 8.6468 8.6468 14.8916 14.8916 14.8974 14.8974 20.5815 20.5815 20.6213 20.6213 k = 0.5000 0.2634 0.3278 ( 1880 PWs) bands (ev): -9.2193 -9.2193 -9.2143 -9.2143 -8.2391 -8.2391 -8.2383 -8.2383 -1.0244 -1.0244 -1.0200 -1.0200 2.2890 2.2890 2.2967 2.2967 5.1489 5.1489 5.1765 5.1765 6.6752 6.6752 6.7025 6.7025 8.2121 8.2121 8.2170 8.2170 8.6439 8.6439 8.6495 8.6495 14.8702 14.8702 14.8754 14.8754 20.6142 20.6142 20.6485 20.6485 k = 0.5000 0.2722 0.3278 ( 1880 PWs) bands (ev): -9.2129 -9.2129 -9.2085 -9.2085 -8.2423 -8.2423 -8.2415 -8.2415 -1.0452 -1.0452 -1.0414 -1.0414 2.2740 2.2740 2.2806 2.2806 5.2439 5.2439 5.2714 5.2714 6.6079 6.6079 6.6351 6.6351 8.2322 8.2322 8.2367 8.2367 8.6456 8.6456 8.6508 8.6508 14.8517 14.8517 14.8563 14.8563 20.6421 20.6421 20.6711 20.6711 k = 0.5000 0.2809 0.3278 ( 1876 PWs) bands (ev): -9.2072 -9.2072 -9.2034 -9.2034 -8.2451 -8.2451 -8.2444 -8.2444 -1.0633 -1.0633 -1.0600 -1.0600 2.2608 2.2608 2.2663 2.2663 5.3370 5.3370 5.3642 5.3642 6.5392 6.5392 6.5659 6.5659 8.2509 8.2509 8.2551 8.2551 8.6463 8.6463 8.6509 8.6509 14.8362 14.8362 14.8402 14.8402 20.6655 20.6655 20.6895 20.6895 k = 0.5000 0.2897 0.3278 ( 1868 PWs) bands (ev): -9.2022 -9.2022 -9.1990 -9.1990 -8.2475 -8.2475 -8.2470 -8.2470 -1.0786 -1.0786 -1.0759 -1.0759 2.2494 2.2494 2.2540 2.2540 5.4272 5.4272 5.4537 5.4537 6.4700 6.4700 6.4960 6.4960 8.2679 8.2679 8.2716 8.2716 8.6461 8.6461 8.6501 8.6501 14.8234 14.8234 14.8268 14.8268 20.6846 20.6846 20.7038 20.7038 k = 0.5000 0.2985 0.3278 ( 1860 PWs) bands (ev): -9.1980 -9.1980 -9.1954 -9.1954 -8.2495 -8.2495 -8.2491 -8.2491 -1.0911 -1.0911 -1.0889 -1.0889 2.2400 2.2400 2.2436 2.2436 5.5132 5.5132 5.5383 5.5383 6.4021 6.4021 6.4268 6.4268 8.2828 8.2828 8.2859 8.2859 8.6453 8.6453 8.6487 8.6487 14.8133 14.8133 14.8159 14.8159 20.6997 20.6997 20.7146 20.7146 k = 0.5000 0.3073 0.3278 ( 1860 PWs) bands (ev): -9.1946 -9.1946 -9.1927 -9.1927 -8.2511 -8.2511 -8.2508 -8.2508 -1.1008 -1.1008 -1.0992 -1.0992 2.2327 2.2327 2.2354 2.2354 5.5924 5.5924 5.6150 5.6150 6.3383 6.3383 6.3605 6.3605 8.2950 8.2950 8.2975 8.2975 8.6443 8.6443 8.6469 8.6469 14.8056 14.8056 14.8076 14.8076 20.7113 20.7113 20.7221 20.7221 k = 0.5000 0.3161 0.3278 ( 1856 PWs) bands (ev): -9.1921 -9.1921 -9.1908 -9.1908 -8.2523 -8.2523 -8.2520 -8.2520 -1.1077 -1.1077 -1.1066 -1.1066 2.2276 2.2276 2.2293 2.2293 5.6608 5.6608 5.6789 5.6789 6.2837 6.2837 6.3015 6.3015 8.3043 8.3043 8.3060 8.3060 8.6434 8.6434 8.6452 8.6452 14.8003 14.8003 14.8016 14.8016 20.7197 20.7197 20.7268 20.7268 k = 0.5000 0.3248 0.3278 ( 1864 PWs) bands (ev): -9.1904 -9.1904 -9.1898 -9.1898 -8.2530 -8.2530 -8.2528 -8.2528 -1.1117 -1.1117 -1.1111 -1.1111 2.2246 2.2246 2.2255 2.2255 5.7111 5.7111 5.7217 5.7217 6.2464 6.2464 6.2568 6.2568 8.3102 8.3102 8.3111 8.3111 8.6429 8.6429 8.6438 8.6438 14.7972 14.7972 14.7979 14.7979 20.7253 20.7253 20.7288 20.7288 k = 0.5000 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.1896 -9.1896 -9.1896 -9.1896 -8.2531 -8.2531 -8.2531 -8.2531 -1.1129 -1.1129 -1.1129 -1.1129 2.2239 2.2239 2.2239 2.2239 5.7336 5.7336 5.7336 5.7336 6.2362 6.2362 6.2362 6.2362 8.3125 8.3125 8.3125 8.3125 8.6430 8.6430 8.6430 8.6430 14.7964 14.7964 14.7964 14.7964 20.7283 20.7283 20.7283 20.7283 k = 0.5000 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.1896 -9.1896 -9.1896 -9.1896 -8.2531 -8.2531 -8.2531 -8.2531 -1.1129 -1.1129 -1.1129 -1.1129 2.2239 2.2239 2.2239 2.2239 5.7336 5.7336 5.7336 5.7336 6.2362 6.2362 6.2362 6.2362 8.3125 8.3125 8.3125 8.3125 8.6430 8.6430 8.6430 8.6430 14.7964 14.7964 14.7964 14.7964 20.7283 20.7283 20.7283 20.7283 k = 0.4911 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.1908 -9.1908 -9.1908 -9.1908 -8.2540 -8.2540 -8.2540 -8.2540 -1.1102 -1.1102 -1.1102 -1.1102 2.2265 2.2265 2.2265 2.2265 5.7324 5.7324 5.7324 5.7324 6.2356 6.2356 6.2356 6.2356 8.3128 8.3128 8.3128 8.3128 8.6428 8.6428 8.6428 8.6428 14.7981 14.7981 14.7981 14.7981 20.7298 20.7298 20.7298 20.7298 k = 0.4821 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.1944 -9.1944 -9.1944 -9.1944 -8.2566 -8.2566 -8.2566 -8.2566 -1.1021 -1.1021 -1.1021 -1.1021 2.2341 2.2341 2.2341 2.2341 5.7286 5.7286 5.7286 5.7286 6.2337 6.2337 6.2337 6.2337 8.3135 8.3135 8.3135 8.3135 8.6420 8.6420 8.6420 8.6420 14.8029 14.8029 14.8029 14.8029 20.7344 20.7344 20.7344 20.7344 k = 0.4732 0.3336 0.3278 ( 1856 PWs) bands (ev): -9.2004 -9.2004 -9.2004 -9.2004 -8.2610 -8.2610 -8.2610 -8.2610 -1.0886 -1.0886 -1.0886 -1.0886 2.2468 2.2468 2.2469 2.2469 5.7224 5.7224 5.7224 5.7224 6.2306 6.2306 6.2306 6.2306 8.3148 8.3148 8.3148 8.3148 8.6408 8.6408 8.6408 8.6408 14.8110 14.8110 14.8110 14.8110 20.7420 20.7420 20.7420 20.7420 k = 0.4643 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.2087 -9.2087 -9.2087 -9.2087 -8.2671 -8.2671 -8.2671 -8.2671 -1.0699 -1.0699 -1.0699 -1.0699 2.2646 2.2646 2.2646 2.2646 5.7138 5.7138 5.7138 5.7138 6.2263 6.2263 6.2263 6.2263 8.3164 8.3164 8.3164 8.3164 8.6390 8.6390 8.6390 8.6390 14.8222 14.8222 14.8222 14.8222 20.7526 20.7526 20.7526 20.7526 k = 0.4554 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.2193 -9.2193 -9.2193 -9.2193 -8.2749 -8.2749 -8.2748 -8.2748 -1.0460 -1.0460 -1.0460 -1.0460 2.2873 2.2873 2.2874 2.2874 5.7028 5.7028 5.7028 5.7028 6.2208 6.2208 6.2208 6.2208 8.3185 8.3185 8.3185 8.3185 8.6367 8.6367 8.6367 8.6367 14.8365 14.8365 14.8365 14.8365 20.7661 20.7661 20.7661 20.7661 k = 0.4464 0.3336 0.3278 ( 1860 PWs) bands (ev): -9.2322 -9.2322 -9.2322 -9.2322 -8.2842 -8.2842 -8.2842 -8.2842 -1.0169 -1.0169 -1.0169 -1.0169 2.3150 2.3150 2.3150 2.3150 5.6896 5.6896 5.6896 5.6896 6.2142 6.2142 6.2142 6.2142 8.3209 8.3209 8.3209 8.3209 8.6339 8.6339 8.6339 8.6339 14.8539 14.8539 14.8539 14.8539 20.7824 20.7824 20.7824 20.7824 k = 0.4375 0.3336 0.3278 ( 1860 PWs) bands (ev): -9.2471 -9.2471 -9.2471 -9.2471 -8.2952 -8.2952 -8.2952 -8.2952 -0.9828 -0.9828 -0.9828 -0.9828 2.3476 2.3476 2.3476 2.3476 5.6741 5.6741 5.6741 5.6741 6.2065 6.2065 6.2065 6.2065 8.3235 8.3235 8.3235 8.3235 8.6307 8.6307 8.6307 8.6307 14.8742 14.8742 14.8742 14.8742 20.8015 20.8015 20.8015 20.8015 k = 0.4286 0.3336 0.3278 ( 1856 PWs) bands (ev): -9.2642 -9.2642 -9.2642 -9.2642 -8.3078 -8.3078 -8.3078 -8.3078 -0.9438 -0.9438 -0.9438 -0.9438 2.3850 2.3850 2.3850 2.3850 5.6566 5.6566 5.6566 5.6566 6.1978 6.1978 6.1978 6.1978 8.3264 8.3264 8.3264 8.3264 8.6269 8.6269 8.6269 8.6269 14.8974 14.8974 14.8974 14.8974 20.8232 20.8232 20.8232 20.8232 k = 0.4196 0.3336 0.3278 ( 1860 PWs) bands (ev): -9.2832 -9.2832 -9.2831 -9.2831 -8.3218 -8.3218 -8.3218 -8.3218 -0.9000 -0.9000 -0.9000 -0.9000 2.4270 2.4270 2.4270 2.4270 5.6371 5.6371 5.6371 5.6371 6.1881 6.1881 6.1881 6.1881 8.3293 8.3293 8.3293 8.3293 8.6226 8.6226 8.6226 8.6226 14.9232 14.9232 14.9232 14.9232 20.8472 20.8472 20.8472 20.8472 k = 0.4107 0.3336 0.3278 ( 1860 PWs) bands (ev): -9.3040 -9.3040 -9.3040 -9.3040 -8.3373 -8.3373 -8.3373 -8.3373 -0.8517 -0.8517 -0.8517 -0.8517 2.4737 2.4737 2.4737 2.4737 5.6158 5.6158 5.6158 5.6158 6.1776 6.1776 6.1776 6.1776 8.3322 8.3322 8.3322 8.3322 8.6179 8.6179 8.6179 8.6179 14.9517 14.9517 14.9517 14.9517 20.8734 20.8734 20.8734 20.8734 k = 0.4018 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.3266 -9.3266 -9.3265 -9.3265 -8.3541 -8.3541 -8.3541 -8.3541 -0.7989 -0.7989 -0.7989 -0.7989 2.5248 2.5248 2.5248 2.5248 5.5928 5.5928 5.5929 5.5929 6.1663 6.1663 6.1663 6.1663 8.3350 8.3350 8.3350 8.3350 8.6126 8.6126 8.6126 8.6126 14.9825 14.9825 14.9825 14.9825 20.9015 20.9015 20.9015 20.9015 k = 0.3929 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.3507 -9.3507 -9.3507 -9.3507 -8.3721 -8.3721 -8.3721 -8.3721 -0.7420 -0.7420 -0.7420 -0.7420 2.5803 2.5803 2.5803 2.5803 5.5683 5.5683 5.5683 5.5683 6.1542 6.1542 6.1542 6.1542 8.3376 8.3376 8.3376 8.3376 8.6069 8.6069 8.6069 8.6069 15.0156 15.0156 15.0156 15.0156 20.9311 20.9311 20.9311 20.9311 k = 0.3839 0.3336 0.3278 ( 1872 PWs) bands (ev): -9.3764 -9.3764 -9.3764 -9.3764 -8.3914 -8.3914 -8.3914 -8.3914 -0.6810 -0.6810 -0.6810 -0.6810 2.6400 2.6400 2.6400 2.6400 5.5424 5.5424 5.5424 5.5424 6.1416 6.1416 6.1416 6.1416 8.3400 8.3400 8.3400 8.3400 8.6007 8.6007 8.6007 8.6007 15.0508 15.0508 15.0508 15.0508 20.9617 20.9617 20.9617 20.9617 k = 0.3750 0.3336 0.3278 ( 1872 PWs) bands (ev): -9.4034 -9.4034 -9.4034 -9.4034 -8.4117 -8.4117 -8.4117 -8.4117 -0.6161 -0.6161 -0.6161 -0.6161 2.7038 2.7038 2.7038 2.7038 5.5153 5.5153 5.5153 5.5153 6.1285 6.1285 6.1285 6.1285 8.3419 8.3419 8.3419 8.3419 8.5940 8.5940 8.5940 8.5940 15.0879 15.0879 15.0879 15.0879 20.9927 20.9927 20.9927 20.9927 k = 0.3661 0.3336 0.3278 ( 1880 PWs) bands (ev): -9.4317 -9.4317 -9.4317 -9.4317 -8.4331 -8.4331 -8.4331 -8.4331 -0.5477 -0.5477 -0.5477 -0.5477 2.7716 2.7716 2.7716 2.7716 5.4871 5.4871 5.4871 5.4871 6.1150 6.1150 6.1150 6.1150 8.3434 8.3434 8.3434 8.3434 8.5869 8.5869 8.5869 8.5869 15.1266 15.1266 15.1266 15.1266 21.0232 21.0232 21.0232 21.0232 k = 0.3571 0.3336 0.3278 ( 1876 PWs) bands (ev): -9.4610 -9.4610 -9.4610 -9.4610 -8.4553 -8.4553 -8.4553 -8.4553 -0.4759 -0.4759 -0.4759 -0.4759 2.8431 2.8431 2.8431 2.8431 5.4580 5.4580 5.4580 5.4580 6.1012 6.1012 6.1012 6.1012 8.3443 8.3443 8.3443 8.3443 8.5794 8.5794 8.5794 8.5794 15.1667 15.1667 15.1667 15.1667 21.0523 21.0523 21.0523 21.0523 k = 0.3482 0.3336 0.3278 ( 1876 PWs) bands (ev): -9.4913 -9.4913 -9.4913 -9.4913 -8.4785 -8.4785 -8.4784 -8.4784 -0.4010 -0.4010 -0.4010 -0.4010 2.9182 2.9182 2.9182 2.9182 5.4282 5.4282 5.4282 5.4282 6.0872 6.0872 6.0872 6.0872 8.3445 8.3445 8.3445 8.3445 8.5715 8.5715 8.5715 8.5715 15.2080 15.2080 15.2080 15.2080 21.0785 21.0785 21.0785 21.0785 k = 0.3393 0.3336 0.3278 ( 1872 PWs) bands (ev): -9.5224 -9.5224 -9.5224 -9.5224 -8.5023 -8.5023 -8.5023 -8.5023 -0.3232 -0.3232 -0.3232 -0.3232 2.9968 2.9968 2.9968 2.9968 5.3978 5.3978 5.3978 5.3978 6.0731 6.0731 6.0731 6.0731 8.3440 8.3440 8.3440 8.3440 8.5632 8.5632 8.5632 8.5632 15.2503 15.2503 15.2503 15.2503 21.1001 21.1001 21.1001 21.1001 k = 0.3304 0.3336 0.3278 ( 1872 PWs) bands (ev): -9.5543 -9.5543 -9.5543 -9.5543 -8.5268 -8.5268 -8.5268 -8.5268 -0.2428 -0.2428 -0.2428 -0.2428 3.0785 3.0785 3.0785 3.0785 5.3670 5.3670 5.3670 5.3670 6.0591 6.0591 6.0591 6.0591 8.3426 8.3426 8.3426 8.3426 8.5545 8.5545 8.5545 8.5545 15.2931 15.2931 15.2931 15.2931 21.1150 21.1150 21.1150 21.1150 k = 0.3214 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.5867 -9.5867 -9.5867 -9.5867 -8.5518 -8.5518 -8.5518 -8.5518 -0.1599 -0.1599 -0.1599 -0.1599 3.1633 3.1633 3.1633 3.1633 5.3360 5.3360 5.3360 5.3360 6.0451 6.0451 6.0451 6.0451 8.3403 8.3403 8.3403 8.3403 8.5455 8.5455 8.5455 8.5455 15.3364 15.3364 15.3364 15.3364 21.1208 21.1208 21.1208 21.1208 k = 0.3125 0.3336 0.3278 ( 1872 PWs) bands (ev): -9.6195 -9.6195 -9.6195 -9.6195 -8.5773 -8.5773 -8.5773 -8.5773 -0.0750 -0.0750 -0.0750 -0.0750 3.2508 3.2508 3.2508 3.2508 5.3049 5.3049 5.3049 5.3049 6.0314 6.0314 6.0314 6.0314 8.3370 8.3370 8.3370 8.3370 8.5361 8.5361 8.5361 8.5361 15.3796 15.3796 15.3796 15.3796 21.1154 21.1154 21.1154 21.1154 k = 0.3036 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.6527 -9.6527 -9.6527 -9.6527 -8.6032 -8.6032 -8.6032 -8.6032 0.0118 0.0118 0.0118 0.0118 3.3408 3.3408 3.3408 3.3408 5.2740 5.2740 5.2740 5.2740 6.0181 6.0181 6.0181 6.0181 8.3327 8.3327 8.3327 8.3327 8.5264 8.5264 8.5264 8.5264 15.4227 15.4227 15.4227 15.4227 21.0972 21.0972 21.0972 21.0972 k = 0.2946 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.6860 -9.6860 -9.6860 -9.6860 -8.6293 -8.6293 -8.6293 -8.6293 0.1002 0.1002 0.1002 0.1002 3.4331 3.4331 3.4331 3.4331 5.2436 5.2436 5.2436 5.2436 6.0052 6.0052 6.0052 6.0052 8.3272 8.3272 8.3272 8.3272 8.5165 8.5165 8.5165 8.5165 15.4651 15.4651 15.4651 15.4651 21.0655 21.0655 21.0655 21.0655 k = 0.2857 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.7195 -9.7195 -9.7195 -9.7195 -8.6557 -8.6557 -8.6557 -8.6557 0.1899 0.1899 0.1899 0.1899 3.5274 3.5274 3.5274 3.5274 5.2137 5.2137 5.2137 5.2137 5.9929 5.9929 5.9929 5.9929 8.3205 8.3205 8.3205 8.3205 8.5063 8.5063 8.5063 8.5063 15.5066 15.5066 15.5066 15.5066 21.0207 21.0207 21.0207 21.0207 k = 0.2768 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.7529 -9.7529 -9.7529 -9.7529 -8.6821 -8.6821 -8.6821 -8.6821 0.2807 0.2807 0.2807 0.2807 3.6232 3.6232 3.6232 3.6232 5.1848 5.1848 5.1848 5.1848 5.9812 5.9812 5.9812 5.9812 8.3125 8.3125 8.3125 8.3125 8.4959 8.4959 8.4959 8.4959 15.5469 15.5469 15.5469 15.5469 20.9641 20.9641 20.9641 20.9641 k = 0.2679 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.7862 -9.7862 -9.7862 -9.7862 -8.7085 -8.7085 -8.7085 -8.7085 0.3721 0.3721 0.3721 0.3721 3.7201 3.7201 3.7201 3.7201 5.1572 5.1572 5.1572 5.1572 5.9703 5.9703 5.9703 5.9703 8.3033 8.3033 8.3033 8.3033 8.4853 8.4853 8.4853 8.4853 15.5856 15.5856 15.5856 15.5856 20.8972 20.8972 20.8972 20.8972 k = 0.2589 0.3336 0.3278 ( 1868 PWs) bands (ev): -9.8193 -9.8193 -9.8193 -9.8193 -8.7349 -8.7349 -8.7349 -8.7349 0.4641 0.4641 0.4641 0.4641 3.8177 3.8177 3.8177 3.8177 5.1313 5.1313 5.1313 5.1313 5.9603 5.9603 5.9603 5.9603 8.2926 8.2926 8.2926 8.2926 8.4746 8.4746 8.4746 8.4746 15.6224 15.6224 15.6224 15.6224 20.8216 20.8216 20.8216 20.8216 k = 0.2500 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.8520 -9.8520 -9.8520 -9.8520 -8.7611 -8.7611 -8.7611 -8.7611 0.5562 0.5562 0.5562 0.5562 3.9152 3.9152 3.9152 3.9152 5.1076 5.1076 5.1077 5.1077 5.9512 5.9512 5.9512 5.9512 8.2806 8.2806 8.2806 8.2806 8.4637 8.4637 8.4637 8.4637 15.6570 15.6570 15.6570 15.6570 20.7387 20.7387 20.7387 20.7387 k = 0.2411 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.8844 -9.8844 -9.8844 -9.8844 -8.7871 -8.7871 -8.7871 -8.7871 0.6482 0.6482 0.6482 0.6482 4.0119 4.0119 4.0119 4.0119 5.0870 5.0870 5.0870 5.0870 5.9431 5.9431 5.9431 5.9431 8.2671 8.2671 8.2671 8.2671 8.4527 8.4527 8.4528 8.4528 15.6891 15.6891 15.6891 15.6891 20.6499 20.6499 20.6499 20.6499 k = 0.2321 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.9162 -9.9162 -9.9162 -9.9162 -8.8127 -8.8127 -8.8127 -8.8127 0.7397 0.7397 0.7397 0.7397 4.1064 4.1064 4.1064 4.1064 5.0705 5.0705 5.0705 5.0705 5.9361 5.9361 5.9361 5.9361 8.2520 8.2520 8.2520 8.2520 8.4417 8.4417 8.4417 8.4417 15.7184 15.7184 15.7184 15.7184 20.5564 20.5564 20.5564 20.5564 k = 0.2232 0.3336 0.3278 ( 1860 PWs) bands (ev): -9.9474 -9.9474 -9.9474 -9.9474 -8.8380 -8.8380 -8.8380 -8.8380 0.8306 0.8306 0.8306 0.8306 4.1974 4.1974 4.1974 4.1974 5.0595 5.0595 5.0595 5.0595 5.9302 5.9302 5.9302 5.9302 8.2353 8.2353 8.2353 8.2353 8.4307 8.4307 8.4307 8.4307 15.7446 15.7446 15.7447 15.7447 20.4592 20.4592 20.4592 20.4592 k = 0.2143 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.9780 -9.9780 -9.9780 -9.9780 -8.8629 -8.8629 -8.8628 -8.8628 0.9204 0.9204 0.9204 0.9204 4.2825 4.2825 4.2825 4.2825 5.0561 5.0561 5.0561 5.0561 5.9256 5.9256 5.9256 5.9256 8.2170 8.2170 8.2170 8.2170 8.4197 8.4197 8.4197 8.4197 15.7676 15.7676 15.7676 15.7676 20.3592 20.3592 20.3592 20.3592 k = 0.2054 0.3336 0.3278 ( 1868 PWs) bands (ev): -10.0079 -10.0079 -10.0079 -10.0079 -8.8872 -8.8872 -8.8872 -8.8872 1.0090 1.0090 1.0090 1.0090 4.3590 4.3590 4.3590 4.3590 5.0630 5.0630 5.0630 5.0630 5.9222 5.9222 5.9222 5.9222 8.1970 8.1970 8.1970 8.1970 8.4087 8.4087 8.4087 8.4087 15.7871 15.7871 15.7871 15.7871 20.2573 20.2573 20.2573 20.2573 k = 0.1964 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.0369 -10.0369 -10.0369 -10.0369 -8.9109 -8.9109 -8.9109 -8.9109 1.0959 1.0959 1.0959 1.0959 4.4238 4.4238 4.4238 4.4238 5.0830 5.0830 5.0830 5.0830 5.9201 5.9201 5.9201 5.9201 8.1753 8.1753 8.1753 8.1753 8.3978 8.3978 8.3978 8.3978 15.8031 15.8031 15.8031 15.8031 20.1542 20.1542 20.1542 20.1542 k = 0.1875 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.0651 -10.0651 -10.0651 -10.0651 -8.9340 -8.9340 -8.9340 -8.9340 1.1810 1.1810 1.1810 1.1810 4.4743 4.4743 4.4743 4.4743 5.1187 5.1187 5.1188 5.1188 5.9193 5.9193 5.9193 5.9193 8.1518 8.1518 8.1518 8.1518 8.3870 8.3870 8.3870 8.3870 15.8154 15.8154 15.8154 15.8154 20.0506 20.0506 20.0506 20.0506 k = 0.1786 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.0923 -10.0923 -10.0923 -10.0923 -8.9564 -8.9564 -8.9564 -8.9564 1.2639 1.2639 1.2639 1.2639 4.5094 4.5094 4.5094 4.5094 5.1710 5.1710 5.1710 5.1710 5.9199 5.9199 5.9199 5.9199 8.1264 8.1264 8.1264 8.1264 8.3763 8.3763 8.3763 8.3763 15.8241 15.8241 15.8241 15.8241 19.9472 19.9472 19.9472 19.9472 k = 0.1696 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.1185 -10.1185 -10.1185 -10.1185 -8.9780 -8.9780 -8.9780 -8.9780 1.3444 1.3444 1.3444 1.3444 4.5306 4.5306 4.5306 4.5306 5.2381 5.2381 5.2381 5.2381 5.9217 5.9217 5.9217 5.9217 8.0991 8.0991 8.0991 8.0991 8.3659 8.3659 8.3659 8.3659 15.8291 15.8291 15.8291 15.8291 19.8446 19.8446 19.8446 19.8446 k = 0.1607 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.1437 -10.1437 -10.1437 -10.1437 -8.9989 -8.9989 -8.9989 -8.9989 1.4222 1.4222 1.4222 1.4222 4.5407 4.5407 4.5407 4.5407 5.3172 5.3172 5.3172 5.3172 5.9248 5.9248 5.9248 5.9248 8.0698 8.0698 8.0698 8.0698 8.3556 8.3556 8.3556 8.3556 15.8306 15.8306 15.8306 15.8306 19.7433 19.7433 19.7433 19.7433 k = 0.1518 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.1678 -10.1678 -10.1678 -10.1678 -9.0188 -9.0188 -9.0188 -9.0188 1.4971 1.4971 1.4971 1.4971 4.5428 4.5428 4.5428 4.5428 5.4050 5.4050 5.4050 5.4050 5.9291 5.9291 5.9291 5.9291 8.0384 8.0384 8.0384 8.0384 8.3456 8.3456 8.3456 8.3456 15.8288 15.8288 15.8288 15.8288 19.6441 19.6441 19.6441 19.6441 k = 0.1429 0.3336 0.3278 ( 1860 PWs) bands (ev): -10.1908 -10.1908 -10.1908 -10.1908 -9.0379 -9.0379 -9.0379 -9.0379 1.5687 1.5687 1.5687 1.5687 4.5394 4.5394 4.5394 4.5394 5.4987 5.4987 5.4987 5.4987 5.9346 5.9346 5.9346 5.9346 8.0050 8.0050 8.0050 8.0050 8.3359 8.3359 8.3359 8.3359 15.8239 15.8239 15.8239 15.8239 19.5473 19.5473 19.5473 19.5473 k = 0.1339 0.3336 0.3278 ( 1860 PWs) bands (ev): -10.2125 -10.2125 -10.2125 -10.2125 -9.0560 -9.0560 -9.0560 -9.0560 1.6370 1.6370 1.6370 1.6370 4.5324 4.5324 4.5324 4.5324 5.5960 5.5960 5.5960 5.5960 5.9413 5.9413 5.9413 5.9413 7.9695 7.9695 7.9695 7.9695 8.3266 8.3266 8.3266 8.3266 15.8162 15.8162 15.8162 15.8162 19.4535 19.4535 19.4535 19.4535 k = 0.1250 0.3336 0.3278 ( 1864 PWs) bands (ev): -10.2331 -10.2331 -10.2331 -10.2331 -9.0732 -9.0732 -9.0732 -9.0732 1.7017 1.7017 1.7017 1.7017 4.5233 4.5233 4.5233 4.5233 5.6953 5.6953 5.6953 5.6953 5.9491 5.9491 5.9491 5.9491 7.9318 7.9318 7.9318 7.9318 8.3176 8.3176 8.3176 8.3176 15.8060 15.8060 15.8061 15.8061 19.3631 19.3631 19.3631 19.3631 k = 0.1161 0.3336 0.3278 ( 1860 PWs) bands (ev): -10.2524 -10.2524 -10.2524 -10.2524 -9.0893 -9.0893 -9.0893 -9.0893 1.7626 1.7626 1.7626 1.7626 4.5129 4.5129 4.5129 4.5129 5.7949 5.7949 5.7949 5.7949 5.9586 5.9586 5.9586 5.9586 7.8919 7.8919 7.8919 7.8919 8.3090 8.3090 8.3090 8.3090 15.7938 15.7938 15.7938 15.7938 19.2768 19.2768 19.2768 19.2768 k = 0.1071 0.3336 0.3278 ( 1852 PWs) bands (ev): -10.2703 -10.2703 -10.2703 -10.2703 -9.1044 -9.1044 -9.1044 -9.1044 1.8195 1.8195 1.8195 1.8195 4.5020 4.5020 4.5020 4.5020 5.8910 5.8910 5.8910 5.8910 5.9723 5.9723 5.9723 5.9723 7.8497 7.8497 7.8498 7.8498 8.3008 8.3008 8.3008 8.3008 15.7800 15.7800 15.7800 15.7800 19.1948 19.1948 19.1948 19.1948 k = 0.0982 0.3336 0.3278 ( 1848 PWs) bands (ev): -10.2870 -10.2870 -10.2870 -10.2870 -9.1183 -9.1183 -9.1183 -9.1183 1.8723 1.8723 1.8723 1.8723 4.4911 4.4911 4.4911 4.4911 5.9561 5.9561 5.9561 5.9561 6.0169 6.0169 6.0169 6.0169 7.8054 7.8054 7.8054 7.8054 8.2931 8.2931 8.2931 8.2931 15.7650 15.7650 15.7650 15.7650 19.1177 19.1177 19.1177 19.1177 k = 0.0893 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3023 -10.3023 -10.3023 -10.3023 -9.1312 -9.1312 -9.1312 -9.1312 1.9209 1.9209 1.9209 1.9209 4.4803 4.4803 4.4803 4.4803 5.9749 5.9749 5.9749 5.9749 6.1069 6.1069 6.1069 6.1069 7.7589 7.7589 7.7589 7.7589 8.2859 8.2859 8.2859 8.2859 15.7492 15.7492 15.7492 15.7492 19.0458 19.0458 19.0458 19.0458 k = 0.0804 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3162 -10.3162 -10.3162 -10.3162 -9.1429 -9.1429 -9.1429 -9.1429 1.9651 1.9651 1.9651 1.9651 4.4702 4.4702 4.4702 4.4702 5.9861 5.9861 5.9861 5.9861 6.2028 6.2028 6.2028 6.2028 7.7102 7.7102 7.7102 7.7102 8.2793 8.2793 8.2793 8.2793 15.7332 15.7332 15.7332 15.7332 18.9795 18.9795 18.9795 18.9795 k = 0.0714 0.3336 0.3278 ( 1848 PWs) bands (ev): -10.3287 -10.3287 -10.3287 -10.3287 -9.1534 -9.1534 -9.1534 -9.1534 2.0048 2.0048 2.0048 2.0048 4.4607 4.4607 4.4607 4.4607 5.9958 5.9958 5.9958 5.9958 6.2977 6.2977 6.2977 6.2977 7.6596 7.6596 7.6596 7.6596 8.2732 8.2732 8.2732 8.2732 15.7174 15.7174 15.7174 15.7174 18.9191 18.9191 18.9191 18.9191 k = 0.0625 0.3336 0.3278 ( 1848 PWs) bands (ev): -10.3398 -10.3398 -10.3398 -10.3398 -9.1628 -9.1628 -9.1628 -9.1628 2.0401 2.0401 2.0401 2.0401 4.4520 4.4520 4.4520 4.4520 6.0046 6.0046 6.0046 6.0046 6.3902 6.3902 6.3902 6.3902 7.6073 7.6073 7.6073 7.6073 8.2678 8.2678 8.2678 8.2678 15.7023 15.7023 15.7023 15.7023 18.8651 18.8651 18.8651 18.8651 k = 0.0536 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3494 -10.3494 -10.3494 -10.3494 -9.1709 -9.1709 -9.1709 -9.1709 2.0707 2.0707 2.0707 2.0707 4.4444 4.4444 4.4444 4.4444 6.0127 6.0127 6.0127 6.0127 6.4794 6.4794 6.4794 6.4794 7.5538 7.5538 7.5538 7.5538 8.2630 8.2630 8.2630 8.2630 15.6883 15.6883 15.6883 15.6883 18.8177 18.8177 18.8177 18.8177 k = 0.0446 0.3336 0.3278 ( 1848 PWs) bands (ev): -10.3576 -10.3576 -10.3576 -10.3576 -9.1778 -9.1778 -9.1778 -9.1778 2.0967 2.0967 2.0967 2.0967 4.4378 4.4378 4.4378 4.4378 6.0198 6.0198 6.0198 6.0198 6.5640 6.5640 6.5640 6.5640 7.4998 7.4998 7.4998 7.4998 8.2589 8.2589 8.2589 8.2589 15.6757 15.6757 15.6757 15.6757 18.7771 18.7771 18.7771 18.7771 k = 0.0357 0.3336 0.3278 ( 1856 PWs) bands (ev): -10.3643 -10.3643 -10.3643 -10.3643 -9.1835 -9.1835 -9.1835 -9.1835 2.1180 2.1180 2.1180 2.1180 4.4323 4.4323 4.4323 4.4323 6.0258 6.0258 6.0258 6.0258 6.6426 6.6426 6.6426 6.6426 7.4465 7.4465 7.4465 7.4465 8.2555 8.2555 8.2555 8.2555 15.6649 15.6649 15.6649 15.6649 18.7435 18.7435 18.7435 18.7435 k = 0.0268 0.3336 0.3278 ( 1852 PWs) bands (ev): -10.3695 -10.3695 -10.3695 -10.3695 -9.1879 -9.1879 -9.1879 -9.1879 2.1346 2.1346 2.1346 2.1346 4.4280 4.4280 4.4280 4.4280 6.0307 6.0307 6.0307 6.0307 6.7128 6.7128 6.7128 6.7128 7.3962 7.3962 7.3962 7.3962 8.2528 8.2528 8.2528 8.2528 15.6562 15.6562 15.6562 15.6562 18.7172 18.7172 18.7172 18.7172 k = 0.0179 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3733 -10.3733 -10.3733 -10.3733 -9.1911 -9.1911 -9.1911 -9.1911 2.1464 2.1464 2.1464 2.1464 4.4249 4.4249 4.4249 4.4249 6.0342 6.0342 6.0342 6.0342 6.7708 6.7708 6.7708 6.7708 7.3526 7.3526 7.3526 7.3526 8.2509 8.2509 8.2509 8.2509 15.6498 15.6498 15.6498 15.6498 18.6984 18.6984 18.6984 18.6984 k = 0.0089 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3755 -10.3755 -10.3755 -10.3755 -9.1930 -9.1930 -9.1930 -9.1930 2.1536 2.1536 2.1536 2.1536 4.4230 4.4230 4.4230 4.4230 6.0364 6.0364 6.0364 6.0364 6.8104 6.8104 6.8104 6.8104 7.3216 7.3216 7.3216 7.3216 8.2497 8.2497 8.2497 8.2497 15.6459 15.6459 15.6460 15.6460 18.6870 18.6870 18.6870 18.6870 k = 0.0000 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3763 -10.3763 -10.3763 -10.3763 -9.1936 -9.1936 -9.1936 -9.1936 2.1559 2.1559 2.1559 2.1559 4.4224 4.4224 4.4224 4.4224 6.0371 6.0371 6.0371 6.0371 6.8248 6.8248 6.8248 6.8248 7.3101 7.3101 7.3101 7.3101 8.2494 8.2494 8.2494 8.2494 15.6446 15.6446 15.6446 15.6446 18.6832 18.6832 18.6832 18.6832 k = 0.0000 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3763 -10.3763 -10.3763 -10.3763 -9.1936 -9.1936 -9.1936 -9.1936 2.1559 2.1559 2.1559 2.1559 4.4224 4.4224 4.4224 4.4224 6.0371 6.0371 6.0371 6.0371 6.8248 6.8248 6.8248 6.8248 7.3101 7.3101 7.3101 7.3101 8.2494 8.2494 8.2494 8.2494 15.6446 15.6446 15.6446 15.6446 18.6832 18.6832 18.6832 18.6832 k = 0.0000 0.3248 0.3278 ( 1844 PWs) bands (ev): -10.3783 -10.3783 -10.3783 -10.3783 -9.1910 -9.1910 -9.1910 -9.1910 2.1528 2.1528 2.1528 2.1528 4.4250 4.4250 4.4250 4.4250 6.0362 6.0362 6.0362 6.0362 6.8230 6.8230 6.8230 6.8230 7.3113 7.3113 7.3113 7.3113 8.2511 8.2511 8.2511 8.2511 15.6447 15.6447 15.6447 15.6447 18.6832 18.6832 18.6832 18.6832 k = 0.0000 0.3161 0.3278 ( 1844 PWs) bands (ev): -10.3842 -10.3842 -10.3842 -10.3842 -9.1831 -9.1831 -9.1831 -9.1831 2.1436 2.1436 2.1436 2.1436 4.4330 4.4330 4.4330 4.4330 6.0333 6.0333 6.0333 6.0333 6.8177 6.8177 6.8177 6.8177 7.3148 7.3148 7.3149 7.3149 8.2564 8.2564 8.2564 8.2564 15.6448 15.6448 15.6448 15.6448 18.6831 18.6831 18.6831 18.6831 k = 0.0000 0.3073 0.3278 ( 1846 PWs) bands (ev): -10.3940 -10.3940 -10.3940 -10.3940 -9.1703 -9.1703 -9.1703 -9.1703 2.1283 2.1283 2.1283 2.1283 4.4459 4.4459 4.4459 4.4459 6.0287 6.0287 6.0287 6.0287 6.8090 6.8090 6.8091 6.8091 7.3207 7.3207 7.3207 7.3207 8.2650 8.2650 8.2650 8.2650 15.6450 15.6450 15.6450 15.6450 18.6830 18.6830 18.6830 18.6830 k = 0.0000 0.2985 0.3278 ( 1850 PWs) bands (ev): -10.4072 -10.4072 -10.4072 -10.4072 -9.1527 -9.1527 -9.1527 -9.1527 2.1074 2.1074 2.1074 2.1074 4.4637 4.4637 4.4637 4.4637 6.0223 6.0223 6.0223 6.0223 6.7972 6.7972 6.7972 6.7972 7.3288 7.3288 7.3288 7.3288 8.2767 8.2767 8.2767 8.2767 15.6453 15.6453 15.6453 15.6453 18.6828 18.6828 18.6828 18.6828 k = 0.0000 0.2897 0.3278 ( 1848 PWs) bands (ev): -10.4235 -10.4235 -10.4235 -10.4235 -9.1308 -9.1308 -9.1308 -9.1308 2.0812 2.0812 2.0812 2.0812 4.4860 4.4860 4.4860 4.4860 6.0142 6.0142 6.0142 6.0142 6.7824 6.7824 6.7824 6.7824 7.3390 7.3390 7.3390 7.3390 8.2914 8.2914 8.2914 8.2914 15.6458 15.6458 15.6458 15.6458 18.6823 18.6823 18.6823 18.6823 k = 0.0000 0.2809 0.3278 ( 1852 PWs) bands (ev): -10.4425 -10.4425 -10.4425 -10.4425 -9.1050 -9.1050 -9.1050 -9.1050 2.0500 2.0500 2.0500 2.0500 4.5122 4.5122 4.5122 4.5122 6.0046 6.0046 6.0046 6.0046 6.7651 6.7651 6.7651 6.7651 7.3511 7.3511 7.3511 7.3511 8.3086 8.3086 8.3086 8.3086 15.6464 15.6464 15.6464 15.6464 18.6816 18.6816 18.6816 18.6816 k = 0.0000 0.2722 0.3278 ( 1850 PWs) bands (ev): -10.4638 -10.4638 -10.4638 -10.4638 -9.0757 -9.0757 -9.0757 -9.0757 2.0144 2.0144 2.0144 2.0144 4.5420 4.5420 4.5420 4.5420 5.9937 5.9937 5.9937 5.9937 6.7455 6.7455 6.7455 6.7455 7.3651 7.3651 7.3651 7.3651 8.3281 8.3281 8.3281 8.3281 15.6471 15.6471 15.6471 15.6471 18.6806 18.6806 18.6806 18.6806 k = 0.0000 0.2634 0.3278 ( 1850 PWs) bands (ev): -10.4870 -10.4870 -10.4870 -10.4870 -9.0435 -9.0435 -9.0435 -9.0435 1.9749 1.9749 1.9749 1.9749 4.5749 4.5749 4.5749 4.5749 5.9815 5.9815 5.9815 5.9815 6.7240 6.7240 6.7240 6.7240 7.3806 7.3806 7.3806 7.3806 8.3494 8.3494 8.3494 8.3494 15.6481 15.6481 15.6481 15.6481 18.6792 18.6792 18.6792 18.6792 k = 0.0000 0.2546 0.3278 ( 1854 PWs) bands (ev): -10.5117 -10.5117 -10.5117 -10.5117 -9.0087 -9.0087 -9.0087 -9.0087 1.9319 1.9319 1.9319 1.9319 4.6104 4.6104 4.6104 4.6104 5.9683 5.9683 5.9683 5.9683 6.7011 6.7011 6.7011 6.7011 7.3976 7.3976 7.3977 7.3977 8.3723 8.3723 8.3723 8.3723 15.6493 15.6493 15.6493 15.6493 18.6772 18.6772 18.6772 18.6772 k = 0.0000 0.2458 0.3278 ( 1846 PWs) bands (ev): -10.5375 -10.5375 -10.5375 -10.5375 -8.9718 -8.9718 -8.9718 -8.9718 1.8860 1.8860 1.8860 1.8860 4.6479 4.6479 4.6479 4.6479 5.9542 5.9542 5.9542 5.9542 6.6770 6.6770 6.6770 6.6770 7.4159 7.4159 7.4160 7.4160 8.3965 8.3965 8.3965 8.3965 15.6508 15.6508 15.6508 15.6508 18.6747 18.6747 18.6747 18.6747 k = 0.0000 0.2370 0.3278 ( 1848 PWs) bands (ev): -10.5642 -10.5642 -10.5642 -10.5642 -8.9332 -8.9332 -8.9331 -8.9331 1.8377 1.8377 1.8377 1.8377 4.6871 4.6871 4.6871 4.6871 5.9393 5.9393 5.9393 5.9393 6.6521 6.6521 6.6521 6.6521 7.4353 7.4353 7.4353 7.4353 8.4215 8.4215 8.4215 8.4215 15.6526 15.6526 15.6526 15.6526 18.6714 18.6714 18.6714 18.6714 k = 0.0000 0.2283 0.3278 ( 1852 PWs) bands (ev): -10.5914 -10.5914 -10.5913 -10.5913 -8.8931 -8.8931 -8.8931 -8.8931 1.7873 1.7873 1.7873 1.7873 4.7275 4.7275 4.7275 4.7275 5.9238 5.9238 5.9238 5.9238 6.6267 6.6267 6.6267 6.6267 7.4556 7.4556 7.4556 7.4556 8.4471 8.4471 8.4471 8.4471 15.6547 15.6547 15.6547 15.6547 18.6673 18.6673 18.6673 18.6673 k = 0.0000 0.2195 0.3278 ( 1854 PWs) bands (ev): -10.6188 -10.6188 -10.6188 -10.6188 -8.8520 -8.8520 -8.8520 -8.8520 1.7354 1.7354 1.7354 1.7354 4.7686 4.7686 4.7686 4.7686 5.9079 5.9079 5.9079 5.9079 6.6011 6.6011 6.6011 6.6011 7.4765 7.4765 7.4765 7.4765 8.4731 8.4731 8.4731 8.4731 15.6571 15.6571 15.6572 15.6572 18.6624 18.6624 18.6624 18.6624 k = 0.0000 0.2107 0.3278 ( 1856 PWs) bands (ev): -10.6462 -10.6462 -10.6462 -10.6462 -8.8102 -8.8102 -8.8102 -8.8102 1.6823 1.6823 1.6823 1.6823 4.8101 4.8101 4.8101 4.8101 5.8917 5.8917 5.8917 5.8917 6.5757 6.5757 6.5757 6.5757 7.4980 7.4980 7.4980 7.4980 8.4991 8.4991 8.4991 8.4991 15.6600 15.6600 15.6600 15.6600 18.6565 18.6565 18.6565 18.6565 k = 0.0000 0.2019 0.3278 ( 1856 PWs) bands (ev): -10.6735 -10.6735 -10.6735 -10.6735 -8.7678 -8.7678 -8.7678 -8.7678 1.6284 1.6284 1.6284 1.6284 4.8515 4.8515 4.8515 4.8515 5.8753 5.8753 5.8753 5.8753 6.5506 6.5506 6.5506 6.5506 7.5199 7.5199 7.5199 7.5199 8.5250 8.5250 8.5250 8.5250 15.6632 15.6632 15.6632 15.6632 18.6498 18.6498 18.6498 18.6498 k = 0.0000 0.1931 0.3278 ( 1856 PWs) bands (ev): -10.7005 -10.7005 -10.7005 -10.7005 -8.7253 -8.7253 -8.7253 -8.7253 1.5742 1.5742 1.5742 1.5742 4.8927 4.8927 4.8927 4.8927 5.8589 5.8589 5.8589 5.8589 6.5262 6.5262 6.5262 6.5262 7.5420 7.5420 7.5420 7.5420 8.5505 8.5505 8.5505 8.5505 15.6667 15.6667 15.6667 15.6667 18.6420 18.6420 18.6421 18.6421 k = 0.0000 0.1844 0.3278 ( 1856 PWs) bands (ev): -10.7270 -10.7270 -10.7270 -10.7270 -8.6829 -8.6829 -8.6829 -8.6829 1.5199 1.5199 1.5199 1.5199 4.9331 4.9331 4.9331 4.9331 5.8426 5.8426 5.8426 5.8426 6.5026 6.5026 6.5026 6.5026 7.5641 7.5641 7.5641 7.5641 8.5755 8.5755 8.5755 8.5755 15.6706 15.6706 15.6706 15.6706 18.6334 18.6334 18.6334 18.6334 k = 0.0000 0.1756 0.3278 ( 1856 PWs) bands (ev): -10.7529 -10.7529 -10.7529 -10.7529 -8.6407 -8.6407 -8.6407 -8.6407 1.4659 1.4659 1.4659 1.4659 4.9725 4.9725 4.9725 4.9725 5.8264 5.8264 5.8264 5.8264 6.4801 6.4801 6.4801 6.4801 7.5862 7.5862 7.5862 7.5862 8.5998 8.5998 8.5998 8.5998 15.6749 15.6749 15.6749 15.6749 18.6239 18.6239 18.6239 18.6239 k = 0.0000 0.1668 0.3278 ( 1864 PWs) bands (ev): -10.7780 -10.7780 -10.7780 -10.7780 -8.5990 -8.5990 -8.5990 -8.5990 1.4124 1.4124 1.4124 1.4124 5.0107 5.0107 5.0107 5.0107 5.8106 5.8106 5.8106 5.8106 6.4588 6.4588 6.4588 6.4588 7.6080 7.6080 7.6080 7.6080 8.6233 8.6233 8.6233 8.6233 15.6794 15.6794 15.6794 15.6794 18.6135 18.6135 18.6135 18.6135 k = 0.0000 0.1580 0.3278 ( 1864 PWs) bands (ev): -10.8023 -10.8023 -10.8023 -10.8023 -8.5581 -8.5581 -8.5581 -8.5581 1.3598 1.3598 1.3598 1.3598 5.0474 5.0474 5.0474 5.0474 5.7950 5.7950 5.7950 5.7950 6.4389 6.4389 6.4389 6.4389 7.6295 7.6295 7.6295 7.6295 8.6459 8.6459 8.6459 8.6459 15.6843 15.6843 15.6843 15.6843 18.6024 18.6024 18.6024 18.6024 k = 0.0000 0.1492 0.3278 ( 1860 PWs) bands (ev): -10.8257 -10.8257 -10.8257 -10.8257 -8.5180 -8.5180 -8.5180 -8.5180 1.3084 1.3084 1.3084 1.3084 5.0824 5.0824 5.0824 5.0824 5.7800 5.7800 5.7800 5.7800 6.4204 6.4204 6.4204 6.4204 7.6505 7.6505 7.6505 7.6505 8.6675 8.6675 8.6675 8.6675 15.6894 15.6894 15.6894 15.6894 18.5906 18.5906 18.5906 18.5906 k = 0.0000 0.1405 0.3278 ( 1852 PWs) bands (ev): -10.8481 -10.8481 -10.8481 -10.8481 -8.4791 -8.4791 -8.4791 -8.4791 1.2584 1.2584 1.2584 1.2584 5.1155 5.1155 5.1155 5.1155 5.7655 5.7655 5.7655 5.7655 6.4036 6.4036 6.4036 6.4036 7.6709 7.6709 7.6709 7.6709 8.6881 8.6881 8.6881 8.6881 15.6947 15.6947 15.6947 15.6947 18.5783 18.5783 18.5783 18.5783 k = 0.0000 0.1317 0.3278 ( 1850 PWs) bands (ev): -10.8694 -10.8694 -10.8694 -10.8694 -8.4415 -8.4415 -8.4415 -8.4415 1.2101 1.2101 1.2101 1.2101 5.1465 5.1465 5.1465 5.1465 5.7515 5.7515 5.7515 5.7515 6.3884 6.3884 6.3885 6.3885 7.6907 7.6907 7.6907 7.6907 8.7074 8.7074 8.7074 8.7074 15.7002 15.7002 15.7002 15.7002 18.5657 18.5657 18.5657 18.5657 k = 0.0000 0.1229 0.3278 ( 1858 PWs) bands (ev): -10.8895 -10.8895 -10.8895 -10.8895 -8.4053 -8.4053 -8.4053 -8.4053 1.1637 1.1637 1.1637 1.1637 5.1753 5.1753 5.1753 5.1753 5.7382 5.7382 5.7382 5.7382 6.3750 6.3750 6.3750 6.3750 7.7096 7.7096 7.7096 7.7096 8.7255 8.7255 8.7256 8.7256 15.7057 15.7057 15.7057 15.7057 18.5528 18.5528 18.5528 18.5528 k = 0.0000 0.1141 0.3278 ( 1850 PWs) bands (ev): -10.9085 -10.9085 -10.9085 -10.9085 -8.3709 -8.3709 -8.3709 -8.3709 1.1194 1.1194 1.1194 1.1194 5.2018 5.2018 5.2018 5.2018 5.7256 5.7256 5.7256 5.7256 6.3632 6.3632 6.3632 6.3632 7.7276 7.7276 7.7276 7.7276 8.7425 8.7425 8.7425 8.7425 15.7114 15.7114 15.7114 15.7114 18.5399 18.5399 18.5399 18.5399 k = 0.0000 0.1054 0.3278 ( 1846 PWs) bands (ev): -10.9263 -10.9263 -10.9262 -10.9262 -8.3382 -8.3382 -8.3382 -8.3382 1.0775 1.0775 1.0775 1.0775 5.2260 5.2260 5.2260 5.2260 5.7138 5.7138 5.7138 5.7138 6.3531 6.3531 6.3532 6.3532 7.7447 7.7447 7.7447 7.7447 8.7582 8.7582 8.7582 8.7582 15.7169 15.7169 15.7169 15.7169 18.5270 18.5270 18.5270 18.5270 k = 0.0000 0.0966 0.3278 ( 1846 PWs) bands (ev): -10.9427 -10.9427 -10.9427 -10.9427 -8.3075 -8.3075 -8.3075 -8.3075 1.0381 1.0381 1.0381 1.0381 5.2478 5.2478 5.2478 5.2478 5.7027 5.7027 5.7027 5.7027 6.3447 6.3447 6.3447 6.3447 7.7607 7.7607 7.7607 7.7607 8.7726 8.7726 8.7726 8.7726 15.7223 15.7223 15.7223 15.7223 18.5145 18.5145 18.5145 18.5145 k = 0.0000 0.0878 0.3278 ( 1846 PWs) bands (ev): -10.9578 -10.9578 -10.9578 -10.9578 -8.2789 -8.2789 -8.2789 -8.2789 1.0015 1.0015 1.0015 1.0015 5.2672 5.2672 5.2672 5.2672 5.6925 5.6925 5.6926 5.6926 6.3377 6.3377 6.3377 6.3377 7.7755 7.7755 7.7755 7.7755 8.7857 8.7857 8.7857 8.7857 15.7275 15.7275 15.7275 15.7275 18.5023 18.5023 18.5023 18.5023 k = 0.0000 0.0790 0.3278 ( 1852 PWs) bands (ev): -10.9716 -10.9716 -10.9716 -10.9716 -8.2526 -8.2526 -8.2526 -8.2526 0.9678 0.9678 0.9678 0.9678 5.2844 5.2844 5.2844 5.2844 5.6832 5.6832 5.6832 5.6832 6.3321 6.3321 6.3321 6.3321 7.7892 7.7892 7.7892 7.7892 8.7975 8.7975 8.7975 8.7975 15.7325 15.7325 15.7325 15.7325 18.4908 18.4908 18.4908 18.4908 k = 0.0000 0.0702 0.3278 ( 1852 PWs) bands (ev): -10.9840 -10.9840 -10.9840 -10.9840 -8.2287 -8.2287 -8.2287 -8.2287 0.9371 0.9371 0.9371 0.9371 5.2993 5.2993 5.2993 5.2993 5.6748 5.6748 5.6748 5.6748 6.3278 6.3278 6.3278 6.3278 7.8015 7.8015 7.8015 7.8015 8.8080 8.8080 8.8080 8.8080 15.7372 15.7372 15.7372 15.7372 18.4801 18.4801 18.4801 18.4801 k = 0.0000 0.0615 0.3278 ( 1856 PWs) bands (ev): -10.9951 -10.9951 -10.9950 -10.9950 -8.2074 -8.2074 -8.2073 -8.2073 0.9097 0.9097 0.9097 0.9097 5.3121 5.3121 5.3121 5.3121 5.6673 5.6673 5.6673 5.6673 6.3245 6.3245 6.3245 6.3245 7.8126 7.8126 7.8126 7.8126 8.8172 8.8172 8.8172 8.8172 15.7415 15.7415 15.7415 15.7415 18.4702 18.4702 18.4702 18.4702 k = 0.0000 0.0527 0.3278 ( 1860 PWs) bands (ev): -11.0046 -11.0046 -11.0046 -11.0046 -8.1886 -8.1886 -8.1886 -8.1886 0.8857 0.8857 0.8857 0.8857 5.3228 5.3228 5.3228 5.3228 5.6608 5.6608 5.6608 5.6608 6.3221 6.3221 6.3221 6.3221 7.8222 7.8222 7.8223 7.8223 8.8252 8.8252 8.8252 8.8252 15.7453 15.7453 15.7453 15.7453 18.4614 18.4614 18.4614 18.4614 k = 0.0000 0.0439 0.3278 ( 1860 PWs) bands (ev): -11.0128 -11.0128 -11.0128 -11.0128 -8.1725 -8.1725 -8.1725 -8.1725 0.8652 0.8652 0.8652 0.8652 5.3317 5.3317 5.3317 5.3317 5.6553 5.6553 5.6553 5.6553 6.3204 6.3204 6.3204 6.3204 7.8305 7.8305 7.8305 7.8305 8.8319 8.8319 8.8319 8.8319 15.7486 15.7486 15.7486 15.7486 18.4537 18.4537 18.4537 18.4537 k = 0.0000 0.0351 0.3278 ( 1864 PWs) bands (ev): -11.0194 -11.0194 -11.0194 -11.0194 -8.1593 -8.1593 -8.1593 -8.1593 0.8483 0.8483 0.8483 0.8483 5.3387 5.3387 5.3387 5.3387 5.6507 5.6507 5.6507 5.6507 6.3193 6.3193 6.3193 6.3193 7.8373 7.8373 7.8373 7.8373 8.8374 8.8374 8.8374 8.8374 15.7515 15.7515 15.7515 15.7515 18.4473 18.4473 18.4473 18.4473 k = 0.0000 0.0263 0.3278 ( 1864 PWs) bands (ev): -11.0246 -11.0246 -11.0246 -11.0246 -8.1489 -8.1489 -8.1489 -8.1489 0.8350 0.8350 0.8350 0.8350 5.3441 5.3441 5.3441 5.3441 5.6471 5.6471 5.6471 5.6471 6.3185 6.3185 6.3185 6.3185 7.8427 7.8427 7.8427 7.8427 8.8416 8.8416 8.8416 8.8416 15.7537 15.7537 15.7537 15.7537 18.4423 18.4423 18.4423 18.4423 k = 0.0000 0.0176 0.3278 ( 1858 PWs) bands (ev): -11.0284 -11.0284 -11.0284 -11.0284 -8.1415 -8.1415 -8.1415 -8.1415 0.8255 0.8255 0.8255 0.8255 5.3479 5.3479 5.3479 5.3479 5.6446 5.6446 5.6446 5.6446 6.3181 6.3181 6.3181 6.3181 7.8465 7.8465 7.8465 7.8465 8.8447 8.8447 8.8447 8.8447 15.7553 15.7553 15.7553 15.7553 18.4386 18.4386 18.4386 18.4386 k = 0.0000 0.0088 0.3278 ( 1858 PWs) bands (ev): -11.0306 -11.0306 -11.0306 -11.0306 -8.1370 -8.1370 -8.1370 -8.1370 0.8197 0.8197 0.8197 0.8197 5.3501 5.3501 5.3501 5.3501 5.6431 5.6431 5.6431 5.6431 6.3179 6.3179 6.3179 6.3179 7.8488 7.8488 7.8488 7.8488 8.8465 8.8465 8.8465 8.8465 15.7563 15.7563 15.7563 15.7563 18.4364 18.4364 18.4364 18.4364 k = 0.0000 0.0000 0.3278 ( 1866 PWs) bands (ev): -11.0313 -11.0313 -11.0313 -11.0313 -8.1355 -8.1355 -8.1355 -8.1355 0.8178 0.8178 0.8178 0.8178 5.3508 5.3508 5.3508 5.3508 5.6425 5.6425 5.6426 5.6426 6.3178 6.3178 6.3178 6.3178 7.8496 7.8496 7.8496 7.8496 8.8471 8.8471 8.8471 8.8471 15.7566 15.7566 15.7566 15.7566 18.4356 18.4356 18.4356 18.4356 k = 0.0000 0.3336-0.0000 ( 1854 PWs) bands (ev): -11.0292 -11.0292 -11.0292 -11.0292 -8.0966 -8.0966 -8.0966 -8.0966 0.4395 0.4395 0.4395 0.4395 5.4031 5.4031 5.4031 5.4031 5.6347 5.6347 5.6347 5.6347 6.7897 6.7897 6.7897 6.7897 7.8750 7.8750 7.8750 7.8750 9.2648 9.2648 9.2648 9.2648 15.0648 15.0648 15.0648 15.0648 17.5881 17.5881 17.5881 17.5881 k = 0.0000 0.3336 0.0089 ( 1854 PWs) bands (ev): -11.0284 -11.0284 -11.0284 -11.0284 -8.0983 -8.0983 -8.0983 -8.0983 0.4419 0.4419 0.4419 0.4419 5.4024 5.4024 5.4024 5.4024 5.6352 5.6352 5.6352 5.6352 6.7894 6.7894 6.7894 6.7894 7.8741 7.8741 7.8741 7.8741 9.2628 9.2628 9.2628 9.2628 15.0659 15.0659 15.0659 15.0659 17.5900 17.5900 17.5900 17.5900 k = 0.0000 0.3336 0.0177 ( 1854 PWs) bands (ev): -11.0261 -11.0261 -11.0261 -11.0261 -8.1033 -8.1033 -8.1033 -8.1033 0.4493 0.4493 0.4493 0.4493 5.4002 5.4002 5.4002 5.4002 5.6369 5.6369 5.6369 5.6369 6.7883 6.7883 6.7883 6.7883 7.8716 7.8716 7.8716 7.8716 9.2570 9.2570 9.2570 9.2570 15.0694 15.0694 15.0695 15.0695 17.5958 17.5958 17.5958 17.5958 k = 0.0000 0.3336 0.0266 ( 1854 PWs) bands (ev): -11.0222 -11.0222 -11.0222 -11.0222 -8.1116 -8.1116 -8.1116 -8.1116 0.4616 0.4616 0.4616 0.4616 5.3965 5.3965 5.3965 5.3965 5.6396 5.6396 5.6396 5.6396 6.7867 6.7867 6.7867 6.7867 7.8673 7.8673 7.8673 7.8673 9.2472 9.2472 9.2472 9.2472 15.0752 15.0752 15.0752 15.0752 17.6054 17.6054 17.6054 17.6054 k = 0.0000 0.3336 0.0354 ( 1854 PWs) bands (ev): -11.0168 -11.0168 -11.0168 -11.0168 -8.1231 -8.1231 -8.1231 -8.1231 0.4787 0.4787 0.4787 0.4787 5.3913 5.3913 5.3913 5.3913 5.6434 5.6434 5.6434 5.6434 6.7844 6.7844 6.7844 6.7844 7.8614 7.8614 7.8614 7.8614 9.2338 9.2338 9.2338 9.2338 15.0833 15.0833 15.0833 15.0833 17.6187 17.6187 17.6187 17.6187 k = 0.0000 0.3336 0.0443 ( 1862 PWs) bands (ev): -11.0098 -11.0098 -11.0098 -11.0098 -8.1378 -8.1378 -8.1378 -8.1378 0.5005 0.5005 0.5005 0.5005 5.3845 5.3845 5.3845 5.3845 5.6483 5.6483 5.6483 5.6483 6.7816 6.7816 6.7816 6.7816 7.8539 7.8539 7.8539 7.8539 9.2167 9.2167 9.2167 9.2167 15.0934 15.0934 15.0934 15.0934 17.6357 17.6357 17.6357 17.6357 k = 0.0000 0.3336 0.0532 ( 1854 PWs) bands (ev): -11.0013 -11.0013 -11.0013 -11.0013 -8.1556 -8.1556 -8.1556 -8.1556 0.5270 0.5270 0.5270 0.5270 5.3760 5.3760 5.3760 5.3760 5.6543 5.6543 5.6543 5.6543 6.7784 6.7784 6.7784 6.7784 7.8448 7.8448 7.8448 7.8448 9.1962 9.1962 9.1962 9.1962 15.1056 15.1056 15.1056 15.1056 17.6563 17.6563 17.6564 17.6564 k = 0.0000 0.3336 0.0620 ( 1856 PWs) bands (ev): -10.9913 -10.9913 -10.9913 -10.9913 -8.1764 -8.1764 -8.1764 -8.1764 0.5580 0.5580 0.5580 0.5580 5.3657 5.3657 5.3657 5.3657 5.6612 5.6612 5.6612 5.6612 6.7748 6.7748 6.7748 6.7748 7.8341 7.8341 7.8341 7.8341 9.1724 9.1724 9.1724 9.1724 15.1197 15.1197 15.1197 15.1197 17.6804 17.6804 17.6804 17.6804 k = 0.0000 0.3336 0.0709 ( 1856 PWs) bands (ev): -10.9798 -10.9798 -10.9798 -10.9798 -8.2001 -8.2001 -8.2001 -8.2001 0.5933 0.5933 0.5933 0.5933 5.3536 5.3536 5.3536 5.3536 5.6693 5.6693 5.6693 5.6693 6.7709 6.7709 6.7709 6.7709 7.8219 7.8219 7.8219 7.8219 9.1456 9.1456 9.1456 9.1456 15.1355 15.1355 15.1355 15.1355 17.7077 17.7077 17.7077 17.7077 k = 0.0000 0.3336 0.0797 ( 1852 PWs) bands (ev): -10.9668 -10.9668 -10.9668 -10.9668 -8.2265 -8.2265 -8.2265 -8.2265 0.6328 0.6328 0.6328 0.6328 5.3395 5.3395 5.3395 5.3395 5.6783 5.6783 5.6783 5.6783 6.7669 6.7669 6.7669 6.7669 7.8082 7.8082 7.8082 7.8082 9.1159 9.1159 9.1160 9.1160 15.1529 15.1529 15.1529 15.1529 17.7382 17.7382 17.7382 17.7382 k = 0.0000 0.3336 0.0886 ( 1852 PWs) bands (ev): -10.9524 -10.9524 -10.9524 -10.9524 -8.2555 -8.2555 -8.2555 -8.2555 0.6764 0.6764 0.6764 0.6764 5.3234 5.3234 5.3234 5.3234 5.6882 5.6882 5.6882 5.6882 6.7629 6.7629 6.7629 6.7629 7.7932 7.7932 7.7932 7.7932 9.0838 9.0838 9.0838 9.0838 15.1717 15.1717 15.1717 15.1717 17.7715 17.7715 17.7715 17.7715 k = 0.0000 0.3336 0.0975 ( 1854 PWs) bands (ev): -10.9366 -10.9366 -10.9366 -10.9366 -8.2869 -8.2869 -8.2869 -8.2869 0.7238 0.7238 0.7238 0.7238 5.3050 5.3050 5.3050 5.3050 5.6991 5.6991 5.6991 5.6991 6.7590 6.7590 6.7590 6.7590 7.7768 7.7768 7.7768 7.7768 9.0493 9.0493 9.0493 9.0493 15.1918 15.1918 15.1918 15.1918 17.8075 17.8075 17.8075 17.8075 k = 0.0000 0.3336 0.1063 ( 1854 PWs) bands (ev): -10.9194 -10.9194 -10.9194 -10.9194 -8.3206 -8.3206 -8.3206 -8.3206 0.7747 0.7747 0.7747 0.7747 5.2844 5.2844 5.2844 5.2844 5.7109 5.7109 5.7109 5.7109 6.7553 6.7553 6.7553 6.7553 7.7592 7.7592 7.7592 7.7592 9.0129 9.0129 9.0129 9.0129 15.2130 15.2130 15.2130 15.2130 17.8460 17.8460 17.8460 17.8460 k = 0.0000 0.3336 0.1152 ( 1856 PWs) bands (ev): -10.9009 -10.9009 -10.9009 -10.9009 -8.3564 -8.3564 -8.3564 -8.3564 0.8290 0.8290 0.8290 0.8290 5.2615 5.2615 5.2615 5.2615 5.7235 5.7235 5.7235 5.7235 6.7521 6.7521 6.7521 6.7521 7.7405 7.7405 7.7405 7.7405 8.9747 8.9747 8.9748 8.9748 15.2351 15.2351 15.2351 15.2351 17.8866 17.8866 17.8866 17.8866 k = 0.0000 0.3336 0.1240 ( 1850 PWs) bands (ev): -10.8811 -10.8811 -10.8811 -10.8811 -8.3940 -8.3940 -8.3940 -8.3940 0.8864 0.8864 0.8864 0.8864 5.2361 5.2361 5.2361 5.2361 5.7370 5.7370 5.7370 5.7370 6.7494 6.7494 6.7494 6.7494 7.7208 7.7208 7.7208 7.7208 8.9352 8.9352 8.9352 8.9352 15.2580 15.2580 15.2580 15.2580 17.9291 17.9291 17.9291 17.9291 k = 0.0000 0.3336 0.1329 ( 1850 PWs) bands (ev): -10.8600 -10.8600 -10.8600 -10.8600 -8.4334 -8.4334 -8.4334 -8.4334 0.9467 0.9467 0.9467 0.9467 5.2082 5.2082 5.2082 5.2082 5.7511 5.7511 5.7511 5.7511 6.7472 6.7472 6.7472 6.7472 7.7001 7.7001 7.7001 7.7001 8.8946 8.8946 8.8946 8.8946 15.2814 15.2814 15.2814 15.2814 17.9731 17.9731 17.9731 17.9731 k = 0.0000 0.3336 0.1418 ( 1848 PWs) bands (ev): -10.8378 -10.8378 -10.8378 -10.8378 -8.4742 -8.4742 -8.4742 -8.4742 1.0095 1.0095 1.0095 1.0095 5.1778 5.1778 5.1778 5.1778 5.7659 5.7659 5.7659 5.7659 6.7458 6.7458 6.7458 6.7458 7.6785 7.6785 7.6785 7.6785 8.8531 8.8531 8.8531 8.8531 15.3052 15.3052 15.3052 15.3052 18.0184 18.0184 18.0184 18.0184 k = 0.0000 0.3336 0.1506 ( 1848 PWs) bands (ev): -10.8145 -10.8145 -10.8145 -10.8145 -8.5163 -8.5163 -8.5163 -8.5163 1.0746 1.0746 1.0746 1.0746 5.1449 5.1449 5.1449 5.1449 5.7814 5.7814 5.7814 5.7814 6.7451 6.7451 6.7451 6.7451 7.6563 7.6563 7.6563 7.6563 8.8111 8.8111 8.8111 8.8111 15.3293 15.3293 15.3293 15.3293 18.0646 18.0646 18.0646 18.0646 k = 0.0000 0.3336 0.1595 ( 1844 PWs) bands (ev): -10.7902 -10.7902 -10.7902 -10.7902 -8.5595 -8.5595 -8.5595 -8.5595 1.1416 1.1416 1.1416 1.1416 5.1096 5.1096 5.1096 5.1096 5.7974 5.7974 5.7974 5.7974 6.7453 6.7453 6.7453 6.7453 7.6334 7.6334 7.6334 7.6334 8.7688 8.7688 8.7688 8.7688 15.3535 15.3535 15.3535 15.3535 18.1113 18.1113 18.1113 18.1113 k = 0.0000 0.3336 0.1683 ( 1844 PWs) bands (ev): -10.7649 -10.7649 -10.7649 -10.7649 -8.6036 -8.6036 -8.6036 -8.6036 1.2103 1.2103 1.2103 1.2103 5.0719 5.0719 5.0719 5.0719 5.8138 5.8138 5.8138 5.8138 6.7464 6.7464 6.7464 6.7464 7.6101 7.6101 7.6102 7.6102 8.7265 8.7265 8.7266 8.7266 15.3776 15.3776 15.3776 15.3776 18.1583 18.1583 18.1583 18.1583 k = 0.0000 0.3336 0.1772 ( 1844 PWs) bands (ev): -10.7388 -10.7388 -10.7388 -10.7388 -8.6482 -8.6482 -8.6482 -8.6482 1.2802 1.2802 1.2802 1.2802 5.0321 5.0321 5.0321 5.0321 5.8305 5.8305 5.8305 5.8305 6.7483 6.7483 6.7483 6.7483 7.5865 7.5865 7.5865 7.5865 8.6846 8.6846 8.6846 8.6846 15.4014 15.4014 15.4014 15.4014 18.2050 18.2050 18.2050 18.2050 k = 0.0000 0.3336 0.1861 ( 1840 PWs) bands (ev): -10.7120 -10.7120 -10.7120 -10.7120 -8.6932 -8.6932 -8.6932 -8.6932 1.3510 1.3510 1.3510 1.3510 4.9902 4.9902 4.9902 4.9902 5.8476 5.8476 5.8476 5.8476 6.7511 6.7511 6.7511 6.7511 7.5628 7.5628 7.5628 7.5628 8.6432 8.6432 8.6432 8.6432 15.4249 15.4249 15.4249 15.4249 18.2513 18.2513 18.2513 18.2513 k = 0.0000 0.3336 0.1949 ( 1840 PWs) bands (ev): -10.6846 -10.6846 -10.6846 -10.6846 -8.7384 -8.7384 -8.7383 -8.7383 1.4223 1.4223 1.4223 1.4223 4.9466 4.9466 4.9466 4.9466 5.8647 5.8647 5.8647 5.8647 6.7547 6.7547 6.7547 6.7547 7.5390 7.5390 7.5390 7.5390 8.6026 8.6026 8.6026 8.6026 15.4479 15.4479 15.4479 15.4479 18.2967 18.2967 18.2967 18.2967 k = 0.0000 0.3336 0.2038 ( 1838 PWs) bands (ev): -10.6567 -10.6567 -10.6567 -10.6567 -8.7833 -8.7833 -8.7833 -8.7833 1.4937 1.4937 1.4937 1.4937 4.9015 4.9015 4.9015 4.9015 5.8819 5.8819 5.8819 5.8819 6.7591 6.7591 6.7591 6.7591 7.5154 7.5154 7.5154 7.5154 8.5631 8.5631 8.5631 8.5631 15.4703 15.4703 15.4703 15.4703 18.3409 18.3409 18.3409 18.3409 k = 0.0000 0.3336 0.2126 ( 1842 PWs) bands (ev): -10.6287 -10.6287 -10.6286 -10.6286 -8.8278 -8.8278 -8.8278 -8.8278 1.5646 1.5646 1.5646 1.5646 4.8552 4.8552 4.8552 4.8552 5.8989 5.8989 5.8989 5.8989 6.7641 6.7641 6.7641 6.7641 7.4921 7.4921 7.4921 7.4921 8.5249 8.5249 8.5249 8.5249 15.4918 15.4918 15.4918 15.4918 18.3835 18.3835 18.3835 18.3835 k = 0.0000 0.3336 0.2215 ( 1846 PWs) bands (ev): -10.6005 -10.6005 -10.6005 -10.6005 -8.8716 -8.8716 -8.8716 -8.8716 1.6347 1.6347 1.6347 1.6347 4.8083 4.8083 4.8083 4.8083 5.9157 5.9157 5.9157 5.9157 6.7696 6.7696 6.7696 6.7696 7.4694 7.4694 7.4694 7.4694 8.4882 8.4882 8.4883 8.4883 15.5124 15.5124 15.5124 15.5124 18.4243 18.4243 18.4243 18.4243 k = 0.0000 0.3336 0.2304 ( 1862 PWs) bands (ev): -10.5726 -10.5726 -10.5725 -10.5725 -8.9143 -8.9143 -8.9143 -8.9143 1.7032 1.7032 1.7032 1.7032 4.7611 4.7611 4.7611 4.7611 5.9321 5.9321 5.9321 5.9321 6.7756 6.7756 6.7756 6.7756 7.4474 7.4474 7.4474 7.4474 8.4534 8.4534 8.4534 8.4534 15.5319 15.5319 15.5319 15.5319 18.4629 18.4629 18.4629 18.4629 k = 0.0000 0.3336 0.2392 ( 1862 PWs) bands (ev): -10.5450 -10.5450 -10.5450 -10.5450 -8.9556 -8.9556 -8.9556 -8.9556 1.7697 1.7697 1.7697 1.7697 4.7143 4.7143 4.7143 4.7143 5.9479 5.9479 5.9479 5.9479 6.7819 6.7819 6.7819 6.7819 7.4263 7.4263 7.4263 7.4263 8.4206 8.4206 8.4206 8.4206 15.5502 15.5502 15.5502 15.5502 18.4991 18.4991 18.4991 18.4991 k = 0.0000 0.3336 0.2481 ( 1858 PWs) bands (ev): -10.5183 -10.5183 -10.5182 -10.5182 -8.9950 -8.9950 -8.9950 -8.9950 1.8334 1.8334 1.8334 1.8334 4.6684 4.6684 4.6684 4.6684 5.9630 5.9630 5.9630 5.9630 6.7883 6.7883 6.7883 6.7883 7.4063 7.4063 7.4063 7.4063 8.3900 8.3900 8.3900 8.3900 15.5672 15.5672 15.5672 15.5672 18.5326 18.5326 18.5326 18.5326 k = 0.0000 0.3336 0.2569 ( 1858 PWs) bands (ev): -10.4926 -10.4926 -10.4926 -10.4926 -9.0323 -9.0323 -9.0322 -9.0322 1.8937 1.8937 1.8937 1.8937 4.6241 4.6241 4.6241 4.6241 5.9772 5.9772 5.9772 5.9772 6.7946 6.7946 6.7946 6.7946 7.3877 7.3877 7.3877 7.3877 8.3620 8.3620 8.3620 8.3620 15.5828 15.5828 15.5828 15.5828 18.5632 18.5632 18.5632 18.5632 k = 0.0000 0.3336 0.2658 ( 1850 PWs) bands (ev): -10.4684 -10.4684 -10.4684 -10.4684 -9.0668 -9.0668 -9.0668 -9.0668 1.9497 1.9497 1.9497 1.9497 4.5823 4.5823 4.5823 4.5823 5.9902 5.9902 5.9902 5.9902 6.8008 6.8008 6.8008 6.8008 7.3706 7.3706 7.3706 7.3706 8.3366 8.3366 8.3366 8.3366 15.5969 15.5969 15.5969 15.5969 18.5906 18.5906 18.5906 18.5906 k = 0.0000 0.3336 0.2747 ( 1850 PWs) bands (ev): -10.4461 -10.4461 -10.4460 -10.4460 -9.0982 -9.0982 -9.0982 -9.0982 2.0007 2.0007 2.0007 2.0007 4.5436 4.5436 4.5436 4.5436 6.0020 6.0020 6.0020 6.0020 6.8065 6.8065 6.8065 6.8065 7.3553 7.3553 7.3553 7.3553 8.3141 8.3141 8.3141 8.3141 15.6092 15.6092 15.6093 15.6093 18.6148 18.6148 18.6148 18.6148 k = 0.0000 0.3336 0.2835 ( 1846 PWs) bands (ev): -10.4261 -10.4261 -10.4261 -10.4261 -9.1259 -9.1259 -9.1259 -9.1259 2.0458 2.0458 2.0458 2.0458 4.5089 4.5089 4.5089 4.5089 6.0123 6.0123 6.0123 6.0123 6.8117 6.8117 6.8117 6.8117 7.3419 7.3419 7.3420 7.3420 8.2947 8.2947 8.2947 8.2947 15.6199 15.6199 15.6199 15.6199 18.6354 18.6354 18.6354 18.6354 k = 0.0000 0.3336 0.2924 ( 1850 PWs) bands (ev): -10.4089 -10.4089 -10.4089 -10.4089 -9.1495 -9.1495 -9.1495 -9.1495 2.0841 2.0841 2.0841 2.0841 4.4791 4.4791 4.4791 4.4791 6.0210 6.0210 6.0210 6.0210 6.8162 6.8162 6.8162 6.8162 7.3307 7.3307 7.3307 7.3307 8.2786 8.2786 8.2786 8.2786 15.6287 15.6287 15.6287 15.6287 18.6525 18.6525 18.6525 18.6525 k = 0.0000 0.3336 0.3012 ( 1844 PWs) bands (ev): -10.3950 -10.3950 -10.3950 -10.3950 -9.1684 -9.1684 -9.1684 -9.1684 2.1149 2.1149 2.1149 2.1149 4.4549 4.4549 4.4549 4.4549 6.0280 6.0280 6.0280 6.0280 6.8199 6.8199 6.8199 6.8199 7.3218 7.3218 7.3218 7.3218 8.2659 8.2659 8.2659 8.2659 15.6356 15.6356 15.6356 15.6356 18.6659 18.6659 18.6659 18.6659 k = 0.0000 0.3336 0.3101 ( 1848 PWs) bands (ev): -10.3847 -10.3847 -10.3847 -10.3847 -9.1823 -9.1823 -9.1823 -9.1823 2.1375 2.1375 2.1375 2.1375 4.4370 4.4370 4.4370 4.4370 6.0330 6.0330 6.0330 6.0330 6.8226 6.8226 6.8226 6.8226 7.3153 7.3153 7.3154 7.3154 8.2567 8.2567 8.2567 8.2567 15.6406 15.6406 15.6406 15.6406 18.6755 18.6755 18.6755 18.6755 k = 0.0000 0.3336 0.3190 ( 1844 PWs) bands (ev): -10.3784 -10.3784 -10.3784 -10.3784 -9.1908 -9.1908 -9.1908 -9.1908 2.1513 2.1513 2.1513 2.1513 4.4261 4.4261 4.4261 4.4261 6.0361 6.0361 6.0361 6.0361 6.8243 6.8243 6.8243 6.8243 7.3114 7.3114 7.3114 7.3114 8.2512 8.2512 8.2512 8.2512 15.6436 15.6436 15.6436 15.6436 18.6813 18.6813 18.6813 18.6813 k = 0.0000 0.3336 0.3278 ( 1844 PWs) bands (ev): -10.3763 -10.3763 -10.3763 -10.3763 -9.1936 -9.1936 -9.1936 -9.1936 2.1559 2.1559 2.1559 2.1559 4.4224 4.4224 4.4224 4.4224 6.0371 6.0371 6.0371 6.0371 6.8248 6.8248 6.8248 6.8248 7.3101 7.3101 7.3101 7.3101 8.2494 8.2494 8.2494 8.2494 15.6446 15.6446 15.6446 15.6446 18.6832 18.6832 18.6832 18.6832 k = 0.5000-0.0000 0.3278 ( 1872 PWs) bands (ev): -9.4182 -9.4182 -9.4057 -9.4057 -8.1519 -8.1519 -8.1519 -8.1519 0.1630 0.1630 0.1666 0.1666 2.0445 2.0445 2.1101 2.1101 3.7912 3.7912 3.8005 3.8005 6.9797 6.9797 6.9940 6.9940 7.8167 7.8167 7.8253 7.8253 8.5777 8.5777 8.5816 8.5816 16.2795 16.2795 16.2933 16.2933 18.8582 18.8582 19.0114 19.0114 k = 0.5000-0.0000 0.3190 ( 1872 PWs) bands (ev): -9.4187 -9.4187 -9.4062 -9.4062 -8.1513 -8.1513 -8.1513 -8.1513 0.1628 0.1628 0.1664 0.1664 2.0471 2.0471 2.1126 2.1126 3.7907 3.7907 3.8001 3.8001 6.9794 6.9794 6.9936 6.9936 7.8149 7.8149 7.8234 7.8234 8.5753 8.5753 8.5792 8.5792 16.2801 16.2801 16.2939 16.2939 18.8620 18.8620 19.0150 19.0150 k = 0.5000-0.0000 0.3101 ( 1872 PWs) bands (ev): -9.4203 -9.4203 -9.4078 -9.4078 -8.1497 -8.1497 -8.1497 -8.1497 0.1622 0.1622 0.1657 0.1657 2.0549 2.0549 2.1202 2.1202 3.7893 3.7893 3.7987 3.7987 6.9783 6.9783 6.9926 6.9926 7.8095 7.8095 7.8180 7.8180 8.5680 8.5680 8.5721 8.5721 16.2819 16.2819 16.2958 16.2958 18.8731 18.8731 19.0259 19.0259 k = 0.5000-0.0000 0.3012 ( 1878 PWs) bands (ev): -9.4229 -9.4229 -9.4105 -9.4105 -8.1471 -8.1471 -8.1471 -8.1471 0.1613 0.1613 0.1646 0.1646 2.0678 2.0678 2.1327 2.1327 3.7870 3.7870 3.7964 3.7964 6.9765 6.9765 6.9908 6.9908 7.8005 7.8005 7.8090 7.8090 8.5559 8.5559 8.5602 8.5602 16.2850 16.2850 16.2989 16.2989 18.8916 18.8916 19.0438 19.0438 k = 0.5000-0.0000 0.2924 ( 1874 PWs) bands (ev): -9.4264 -9.4264 -9.4142 -9.4142 -8.1435 -8.1435 -8.1434 -8.1434 0.1602 0.1602 0.1631 0.1631 2.0857 2.0857 2.1502 2.1502 3.7839 3.7839 3.7932 3.7932 6.9738 6.9738 6.9880 6.9880 7.7882 7.7882 7.7966 7.7966 8.5392 8.5392 8.5439 8.5439 16.2892 16.2892 16.3032 16.3032 18.9174 18.9174 19.0689 19.0689 k = 0.5000-0.0000 0.2835 ( 1868 PWs) bands (ev): -9.4310 -9.4310 -9.4189 -9.4189 -8.1389 -8.1389 -8.1388 -8.1388 0.1588 0.1588 0.1613 0.1613 2.1086 2.1086 2.1725 2.1725 3.7798 3.7798 3.7892 3.7892 6.9698 6.9698 6.9840 6.9840 7.7728 7.7728 7.7811 7.7811 8.5182 8.5182 8.5233 8.5233 16.2945 16.2945 16.3086 16.3086 18.9503 18.9503 19.1008 19.1008 k = 0.5000-0.0000 0.2747 ( 1860 PWs) bands (ev): -9.4364 -9.4364 -9.4245 -9.4245 -8.1335 -8.1335 -8.1332 -8.1332 0.1572 0.1572 0.1593 0.1593 2.1363 2.1363 2.1995 2.1995 3.7750 3.7750 3.7844 3.7844 6.9644 6.9644 6.9785 6.9785 7.7546 7.7546 7.7628 7.7628 8.4930 8.4930 8.4987 8.4987 16.3009 16.3009 16.3151 16.3151 18.9900 18.9900 19.1394 19.1394 k = 0.5000-0.0000 0.2658 ( 1860 PWs) bands (ev): -9.4426 -9.4426 -9.4309 -9.4309 -8.1272 -8.1272 -8.1268 -8.1268 0.1556 0.1556 0.1572 0.1572 2.1687 2.1687 2.2311 2.2311 3.7694 3.7694 3.7788 3.7788 6.9572 6.9572 6.9711 6.9711 7.7339 7.7339 7.7419 7.7419 8.4641 8.4641 8.4703 8.4703 16.3081 16.3081 16.3225 16.3225 19.0364 19.0364 19.1845 19.1845 k = 0.5000-0.0000 0.2569 ( 1860 PWs) bands (ev): -9.4496 -9.4496 -9.4382 -9.4382 -8.1201 -8.1201 -8.1196 -8.1196 0.1539 0.1539 0.1550 0.1550 2.2056 2.2056 2.2671 2.2671 3.7630 3.7630 3.7724 3.7724 6.9476 6.9476 6.9613 6.9613 7.7112 7.7112 7.7189 7.7189 8.4318 8.4318 8.4385 8.4385 16.3163 16.3163 16.3307 16.3307 19.0892 19.0892 19.2358 19.2358 k = 0.5000-0.0000 0.2481 ( 1860 PWs) bands (ev): -9.4572 -9.4572 -9.4461 -9.4461 -8.1123 -8.1123 -8.1118 -8.1118 0.1524 0.1524 0.1529 0.1529 2.2468 2.2468 2.3073 2.3073 3.7559 3.7559 3.7653 3.7653 6.9353 6.9353 6.9488 6.9488 7.6868 7.6868 7.6943 7.6943 8.3965 8.3965 8.4039 8.4039 16.3252 16.3252 16.3397 16.3397 19.1482 19.1482 19.2931 19.2931 k = 0.5000-0.0000 0.2392 ( 1860 PWs) bands (ev): -9.4655 -9.4655 -9.4547 -9.4547 -8.1040 -8.1040 -8.1033 -8.1033 0.1509 0.1509 0.1510 0.1510 2.2922 2.2922 2.3516 2.3516 3.7482 3.7482 3.7576 3.7576 6.9198 6.9198 6.9328 6.9328 7.6612 7.6612 7.6683 7.6683 8.3589 8.3589 8.3670 8.3670 16.3347 16.3347 16.3493 16.3493 19.2129 19.2129 19.3560 19.3560 k = 0.5000-0.0000 0.2304 ( 1860 PWs) bands (ev): -9.4743 -9.4743 -9.4638 -9.4638 -8.0951 -8.0951 -8.0943 -8.0943 0.1492 0.1492 0.1498 0.1498 2.3414 2.3414 2.3998 2.3998 3.7399 3.7399 3.7494 3.7494 6.9004 6.9004 6.9129 6.9129 7.6349 7.6349 7.6416 7.6416 8.3195 8.3195 8.3282 8.3282 16.3449 16.3449 16.3594 16.3594 19.2831 19.2831 19.4242 19.4242 k = 0.5000-0.0000 0.2215 ( 1868 PWs) bands (ev): -9.4835 -9.4835 -9.4734 -9.4734 -8.0858 -8.0858 -8.0849 -8.0849 0.1477 0.1477 0.1489 0.1489 2.3945 2.3945 2.4518 2.4518 3.7312 3.7312 3.7406 3.7406 6.8767 6.8767 6.8886 6.8886 7.6080 7.6080 7.6143 7.6143 8.2790 8.2790 8.2882 8.2882 16.3554 16.3554 16.3700 16.3700 19.3583 19.3583 19.4974 19.4974 k = 0.5000-0.0000 0.2126 ( 1872 PWs) bands (ev): -9.4931 -9.4931 -9.4833 -9.4833 -8.0761 -8.0761 -8.0751 -8.0751 0.1467 0.1467 0.1484 0.1484 2.4511 2.4511 2.5072 2.5072 3.7219 3.7219 3.7314 3.7314 6.8482 6.8482 6.8594 6.8594 7.5810 7.5810 7.5868 7.5868 8.2380 8.2380 8.2478 8.2478 16.3662 16.3662 16.3808 16.3808 19.4383 19.4383 19.5751 19.5751 k = 0.5000-0.0000 0.2038 ( 1872 PWs) bands (ev): -9.5030 -9.5030 -9.4935 -9.4935 -8.0661 -8.0661 -8.0651 -8.0651 0.1460 0.1460 0.1483 0.1483 2.5110 2.5110 2.5660 2.5660 3.7124 3.7124 3.7218 3.7218 6.8146 6.8146 6.8249 6.8249 7.5539 7.5539 7.5591 7.5591 8.1975 8.1975 8.2078 8.2078 16.3773 16.3773 16.3918 16.3918 19.5227 19.5227 19.6571 19.6571 k = 0.5000-0.0000 0.1949 ( 1868 PWs) bands (ev): -9.5130 -9.5130 -9.5039 -9.5039 -8.0560 -8.0560 -8.0549 -8.0549 0.1459 0.1459 0.1486 0.1486 2.5741 2.5741 2.6279 2.6279 3.7025 3.7025 3.7120 3.7120 6.7758 6.7758 6.7850 6.7850 7.5266 7.5266 7.5312 7.5312 8.1582 8.1582 8.1688 8.1688 16.3885 16.3885 16.4028 16.4028 19.6110 19.6110 19.7430 19.7430 k = 0.5000-0.0000 0.1861 ( 1868 PWs) bands (ev): -9.5231 -9.5231 -9.5144 -9.5144 -8.0458 -8.0458 -8.0446 -8.0446 0.1462 0.1462 0.1493 0.1493 2.6401 2.6401 2.6927 2.6927 3.6924 3.6924 3.7019 3.7019 6.7315 6.7315 6.7397 6.7397 7.4988 7.4988 7.5030 7.5030 8.1209 8.1209 8.1316 8.1316 16.3997 16.3997 16.4139 16.4139 19.7029 19.7029 19.8323 19.8323 k = 0.5000-0.0000 0.1772 ( 1868 PWs) bands (ev): -9.5333 -9.5333 -9.5249 -9.5249 -8.0356 -8.0356 -8.0343 -8.0343 0.1471 0.1471 0.1506 0.1506 2.7088 2.7088 2.7602 2.7602 3.6821 3.6821 3.6917 3.6917 6.6820 6.6820 6.6890 6.6890 7.4702 7.4702 7.4740 7.4740 8.0863 8.0863 8.0971 8.0971 16.4108 16.4108 16.4248 16.4248 19.7979 19.7979 19.9246 19.9246 k = 0.5000-0.0000 0.1683 ( 1856 PWs) bands (ev): -9.5434 -9.5434 -9.5354 -9.5354 -8.0254 -8.0254 -8.0241 -8.0241 0.1485 0.1485 0.1523 0.1523 2.7800 2.7800 2.8303 2.8303 3.6718 3.6718 3.6814 3.6814 6.6275 6.6275 6.6332 6.6332 7.4405 7.4405 7.4440 7.4440 8.0553 8.0553 8.0658 8.0658 16.4218 16.4218 16.4355 16.4355 19.8958 19.8958 20.0196 20.0196 k = 0.5000-0.0000 0.1595 ( 1864 PWs) bands (ev): -9.5534 -9.5534 -9.5458 -9.5458 -8.0153 -8.0153 -8.0140 -8.0140 0.1504 0.1504 0.1544 0.1544 2.8535 2.8535 2.9026 2.9026 3.6615 3.6615 3.6711 3.6711 6.5683 6.5683 6.5727 6.5727 7.4093 7.4093 7.4126 7.4126 8.0280 8.0280 8.0382 8.0382 16.4325 16.4325 16.4459 16.4459 19.9959 19.9959 20.1167 20.1167 k = 0.5000-0.0000 0.1506 ( 1862 PWs) bands (ev): -9.5632 -9.5632 -9.5560 -9.5560 -8.0054 -8.0054 -8.0041 -8.0041 0.1527 0.1527 0.1569 0.1569 2.9290 2.9290 2.9770 2.9770 3.6512 3.6512 3.6609 3.6609 6.5047 6.5047 6.5078 6.5078 7.3766 7.3766 7.3799 7.3799 8.0050 8.0050 8.0146 8.0146 16.4429 16.4429 16.4559 16.4559 20.0980 20.0980 20.2156 20.2156 k = 0.5000-0.0000 0.1418 ( 1862 PWs) bands (ev): -9.5727 -9.5727 -9.5660 -9.5660 -7.9958 -7.9958 -7.9945 -7.9945 0.1555 0.1555 0.1599 0.1599 3.0063 3.0063 3.0531 3.0531 3.6411 3.6411 3.6509 3.6509 6.4373 6.4373 6.4391 6.4391 7.3424 7.3424 7.3457 7.3457 7.9861 7.9861 7.9951 7.9951 16.4529 16.4529 16.4654 16.4654 20.2016 20.2016 20.3159 20.3159 k = 0.5000-0.0000 0.1329 ( 1858 PWs) bands (ev): -9.5819 -9.5819 -9.5757 -9.5757 -7.9865 -7.9865 -7.9851 -7.9851 0.1586 0.1586 0.1631 0.1631 3.0851 3.0851 3.1308 3.1308 3.6313 3.6313 3.6413 3.6413 6.3665 6.3665 6.3670 6.3670 7.3071 7.3071 7.3105 7.3105 7.9713 7.9713 7.9796 7.9796 16.4625 16.4625 16.4745 16.4745 20.3062 20.3062 20.4170 20.4170 k = 0.5000-0.0000 0.1240 ( 1852 PWs) bands (ev): -9.5908 -9.5908 -9.5850 -9.5850 -7.9775 -7.9775 -7.9762 -7.9762 0.1621 0.1621 0.1666 0.1666 3.1649 3.1649 3.2097 3.2097 3.6217 3.6217 3.6321 3.6321 6.2921 6.2921 6.2929 6.2929 7.2710 7.2710 7.2744 7.2744 7.9600 7.9600 7.9676 7.9676 16.4716 16.4716 16.4831 16.4831 20.4115 20.4115 20.5185 20.5185 k = 0.5000-0.0000 0.1152 ( 1856 PWs) bands (ev): -9.5993 -9.5993 -9.5938 -9.5938 -7.9690 -7.9690 -7.9677 -7.9677 0.1658 0.1658 0.1703 0.1703 3.2454 3.2454 3.2894 3.2894 3.6127 3.6127 3.6235 3.6235 6.2149 6.2149 6.2169 6.2169 7.2346 7.2346 7.2382 7.2382 7.9520 7.9520 7.9588 7.9588 16.4802 16.4802 16.4911 16.4911 20.5169 20.5169 20.6199 20.6199 k = 0.5000-0.0000 0.1063 ( 1864 PWs) bands (ev): -9.6073 -9.6073 -9.6023 -9.6023 -7.9609 -7.9609 -7.9597 -7.9597 0.1698 0.1698 0.1742 0.1742 3.3257 3.3257 3.3695 3.3695 3.6043 3.6043 3.6161 3.6161 6.1359 6.1359 6.1392 6.1392 7.1986 7.1986 7.2021 7.2021 7.9467 7.9467 7.9527 7.9527 16.4882 16.4882 16.4985 16.4985 20.6219 20.6219 20.7207 20.7207 k = 0.5000-0.0000 0.0975 ( 1856 PWs) bands (ev): -9.6148 -9.6148 -9.6102 -9.6102 -7.9533 -7.9533 -7.9521 -7.9521 0.1738 0.1738 0.1781 0.1781 3.4048 3.4048 3.4489 3.4489 3.5970 3.5970 3.6107 3.6107 6.0560 6.0560 6.0603 6.0603 7.1634 7.1634 7.1670 7.1670 7.9435 7.9435 7.9489 7.9489 16.4957 16.4957 16.5053 16.5053 20.7260 20.7260 20.8203 20.8203 k = 0.5000-0.0000 0.0886 ( 1852 PWs) bands (ev): -9.6218 -9.6218 -9.6176 -9.6176 -7.9463 -7.9463 -7.9451 -7.9451 0.1779 0.1779 0.1819 0.1819 3.4790 3.4790 3.5247 3.5247 3.5936 3.5936 3.6102 3.6102 5.9756 5.9756 5.9810 5.9810 7.1297 7.1297 7.1332 7.1332 7.9421 7.9421 7.9468 7.9468 16.5027 16.5027 16.5115 16.5115 20.8286 20.8286 20.9180 20.9180 k = 0.5000-0.0000 0.0797 ( 1852 PWs) bands (ev): -9.6282 -9.6282 -9.6244 -9.6244 -7.9398 -7.9398 -7.9387 -7.9387 0.1819 0.1819 0.1857 0.1857 3.5355 3.5355 3.5675 3.5675 3.6226 3.6226 3.6271 3.6271 5.8957 5.8957 5.9019 5.9019 7.0979 7.0979 7.1012 7.1012 7.9420 7.9420 7.9460 7.9460 16.5090 16.5090 16.5171 16.5171 20.9289 20.9289 21.0131 21.0131 k = 0.5000-0.0000 0.0709 ( 1856 PWs) bands (ev): -9.6339 -9.6339 -9.6306 -9.6306 -7.9339 -7.9339 -7.9329 -7.9329 0.1858 0.1858 0.1893 0.1893 3.5563 3.5563 3.5677 3.5677 3.6786 3.6786 3.6931 3.6931 5.8171 5.8171 5.8241 5.8241 7.0684 7.0684 7.0715 7.0715 7.9428 7.9428 7.9462 7.9462 16.5147 16.5147 16.5220 16.5220 21.0263 21.0263 21.1047 21.1047 k = 0.5000-0.0000 0.0620 ( 1852 PWs) bands (ev): -9.6391 -9.6391 -9.6361 -9.6361 -7.9286 -7.9286 -7.9278 -7.9278 0.1895 0.1895 0.1927 0.1927 3.5586 3.5586 3.5631 3.5631 3.7467 3.7467 3.7661 3.7661 5.7411 5.7411 5.7486 5.7486 7.0416 7.0416 7.0444 7.0444 7.9442 7.9442 7.9471 7.9471 16.5198 16.5198 16.5262 16.5262 21.1198 21.1198 21.1917 21.1917 k = 0.5000-0.0000 0.0532 ( 1852 PWs) bands (ev): -9.6435 -9.6435 -9.6410 -9.6410 -7.9240 -7.9240 -7.9233 -7.9233 0.1929 0.1929 0.1957 0.1957 3.5565 3.5565 3.5585 3.5585 3.8162 3.8162 3.8359 3.8359 5.6689 5.6689 5.6766 5.6766 7.0178 7.0178 7.0203 7.0203 7.9459 7.9459 7.9484 7.9484 16.5243 16.5243 16.5299 16.5299 21.2081 21.2081 21.2729 21.2729 k = 0.5000-0.0000 0.0443 ( 1852 PWs) bands (ev): -9.6473 -9.6473 -9.6452 -9.6452 -7.9201 -7.9201 -7.9194 -7.9194 0.1959 0.1959 0.1983 0.1983 3.5535 3.5535 3.5542 3.5542 3.8821 3.8821 3.9005 3.9005 5.6022 5.6022 5.6097 5.6097 6.9973 6.9973 6.9994 6.9994 7.9478 7.9478 7.9498 7.9498 16.5282 16.5282 16.5328 16.5328 21.2899 21.2899 21.3467 21.3467 k = 0.5000-0.0000 0.0354 ( 1852 PWs) bands (ev): -9.6504 -9.6504 -9.6487 -9.6487 -7.9168 -7.9168 -7.9163 -7.9163 0.1986 0.1986 0.2005 0.2005 3.5505 3.5505 3.5507 3.5507 3.9416 3.9416 3.9576 3.9576 5.5429 5.5429 5.5499 5.5499 6.9803 6.9803 6.9820 6.9820 7.9496 7.9496 7.9511 7.9511 16.5314 16.5314 16.5352 16.5352 21.3633 21.3633 21.4112 21.4112 k = 0.5000-0.0000 0.0266 ( 1848 PWs) bands (ev): -9.6528 -9.6528 -9.6515 -9.6515 -7.9142 -7.9142 -7.9138 -7.9138 0.2007 0.2007 0.2022 0.2022 3.5479 3.5479 3.5479 3.5479 3.9924 3.9924 4.0053 4.0053 5.4935 5.4935 5.4994 5.4994 6.9669 6.9669 6.9682 6.9682 7.9512 7.9512 7.9523 7.9523 16.5341 16.5341 16.5369 16.5369 21.4262 21.4262 21.4638 21.4638 k = 0.5000-0.0000 0.0177 ( 1840 PWs) bands (ev): -9.6544 -9.6544 -9.6536 -9.6536 -7.9124 -7.9124 -7.9121 -7.9121 0.2024 0.2024 0.2034 0.2034 3.5459 3.5459 3.5460 3.5460 4.0319 4.0319 4.0409 4.0409 5.4561 5.4561 5.4604 5.4604 6.9573 6.9573 6.9582 6.9582 7.9524 7.9524 7.9532 7.9532 16.5361 16.5361 16.5380 16.5380 21.4761 21.4761 21.5022 21.5022 k = 0.5000-0.0000 0.0089 ( 1840 PWs) bands (ev): -9.6553 -9.6553 -9.6549 -9.6549 -7.9112 -7.9112 -7.9111 -7.9111 0.2035 0.2035 0.2040 0.2040 3.5447 3.5447 3.5447 3.5447 4.0577 4.0577 4.0624 4.0624 5.4331 5.4331 5.4354 5.4354 6.9517 6.9517 6.9521 6.9521 7.9533 7.9533 7.9537 7.9537 16.5375 16.5375 16.5385 16.5385 21.5103 21.5103 21.5236 21.5236 k = 0.5000-0.0000-0.0000 ( 1840 PWs) bands (ev): -9.6555 -9.6555 -9.6555 -9.6555 -7.9108 -7.9108 -7.9108 -7.9108 0.2040 0.2040 0.2040 0.2040 3.5443 3.5443 3.5443 3.5443 4.0681 4.0681 4.0681 4.0681 5.4260 5.4260 5.4260 5.4260 6.9499 6.9499 6.9499 6.9499 7.9537 7.9537 7.9537 7.9537 16.5383 16.5383 16.5383 16.5383 21.5265 21.5265 21.5265 21.5265 k = 0.5000 0.3336-0.0000 ( 1872 PWs) bands (ev): -9.2192 -9.2192 -9.2028 -9.2028 -8.4263 -8.4263 -8.4261 -8.4261 0.7426 0.7426 0.7471 0.7471 1.8425 1.8425 1.9111 1.9111 3.8109 3.8109 3.8161 3.8161 6.0567 6.0567 6.0665 6.0665 7.8093 7.8093 7.8117 7.8117 8.6337 8.6337 8.6451 8.6451 16.9967 16.9967 17.0129 17.0129 18.9279 18.9279 19.1467 19.1467 k = 0.5000 0.3336 0.0089 ( 1872 PWs) bands (ev): -9.2192 -9.2192 -9.2028 -9.2028 -8.4259 -8.4259 -8.4258 -8.4258 0.7330 0.7330 0.7379 0.7379 1.8522 1.8522 1.9203 1.9203 3.8088 3.8088 3.8141 3.8141 6.0612 6.0612 6.0710 6.0710 7.8082 7.8082 7.8106 7.8106 8.6341 8.6341 8.6456 8.6456 16.9894 16.9894 17.0048 17.0048 18.9360 18.9360 19.1540 19.1540 k = 0.5000 0.3336 0.0177 ( 1868 PWs) bands (ev): -9.2190 -9.2190 -9.2027 -9.2027 -8.4250 -8.4250 -8.4249 -8.4249 0.7051 0.7051 0.7113 0.7113 1.8802 1.8802 1.9467 1.9467 3.8027 3.8027 3.8081 3.8081 6.0746 6.0746 6.0844 6.0844 7.8050 7.8050 7.8074 7.8074 8.6354 8.6354 8.6468 8.6468 16.9679 16.9679 16.9812 16.9812 18.9599 18.9599 19.1754 19.1754 k = 0.5000 0.3336 0.0266 ( 1868 PWs) bands (ev): -9.2188 -9.2188 -9.2026 -9.2026 -8.4235 -8.4235 -8.4235 -8.4235 0.6618 0.6618 0.6697 0.6697 1.9235 1.9235 1.9879 1.9879 3.7929 3.7929 3.7987 3.7987 6.0966 6.0966 6.1064 6.1064 7.7996 7.7996 7.8021 7.8021 8.6375 8.6375 8.6489 8.6489 16.9330 16.9330 16.9432 16.9432 18.9982 18.9982 19.2100 19.2100 k = 0.5000 0.3336 0.0354 ( 1868 PWs) bands (ev): -9.2185 -9.2185 -9.2024 -9.2024 -8.4214 -8.4214 -8.4214 -8.4214 0.6063 0.6063 0.6160 0.6160 1.9787 1.9787 2.0404 2.0404 3.7803 3.7803 3.7865 3.7865 6.1267 6.1267 6.1365 6.1365 7.7921 7.7921 7.7947 7.7947 8.6404 8.6404 8.6517 8.6517 16.8862 16.8862 16.8925 16.8925 19.0493 19.0493 19.2563 19.2563 k = 0.5000 0.3336 0.0443 ( 1872 PWs) bands (ev): -9.2182 -9.2182 -9.2022 -9.2022 -8.4188 -8.4188 -8.4188 -8.4188 0.5418 0.5418 0.5533 0.5533 2.0419 2.0419 2.1010 2.1010 3.7658 3.7658 3.7727 3.7727 6.1642 6.1642 6.1740 6.1740 7.7827 7.7827 7.7854 7.7854 8.6440 8.6440 8.6553 8.6553 16.8290 16.8290 16.8311 16.8311 19.1111 19.1111 19.3129 19.3129 k = 0.5000 0.3336 0.0532 ( 1868 PWs) bands (ev): -9.2177 -9.2177 -9.2019 -9.2019 -8.4156 -8.4156 -8.4155 -8.4155 0.4710 0.4710 0.4840 0.4840 2.1101 2.1101 2.1663 2.1663 3.7507 3.7507 3.7584 3.7584 6.2083 6.2083 6.2182 6.2182 7.7713 7.7713 7.7741 7.7741 8.6483 8.6483 8.6595 8.6595 16.7611 16.7611 16.7631 16.7631 19.1816 19.1816 19.3778 19.3778 k = 0.5000 0.3336 0.0620 ( 1864 PWs) bands (ev): -9.2172 -9.2172 -9.2016 -9.2016 -8.4119 -8.4119 -8.4117 -8.4117 0.3960 0.3960 0.4103 0.4103 2.1802 2.1802 2.2336 2.2336 3.7364 3.7364 3.7454 3.7454 6.2583 6.2583 6.2683 6.2683 7.7582 7.7582 7.7611 7.7611 8.6531 8.6531 8.6643 8.6643 16.6842 16.6842 16.6901 16.6901 19.2590 19.2590 19.4496 19.4496 k = 0.5000 0.3336 0.0709 ( 1864 PWs) bands (ev): -9.2165 -9.2165 -9.2012 -9.2012 -8.4077 -8.4077 -8.4075 -8.4075 0.3183 0.3183 0.3336 0.3336 2.2498 2.2498 2.3001 2.3001 3.7246 3.7246 3.7351 3.7351 6.3133 6.3133 6.3234 6.3234 7.7434 7.7434 7.7465 7.7465 8.6585 8.6585 8.6695 8.6695 16.6019 16.6019 16.6115 16.6115 19.3415 19.3415 19.5265 19.5265 k = 0.5000 0.3336 0.0797 ( 1864 PWs) bands (ev): -9.2158 -9.2158 -9.2008 -9.2008 -8.4030 -8.4030 -8.4027 -8.4027 0.2391 0.2391 0.2552 0.2552 2.3165 2.3165 2.3635 2.3635 3.7171 3.7171 3.7297 3.7297 6.3722 6.3722 6.3826 6.3826 7.7272 7.7272 7.7304 7.7304 8.6642 8.6642 8.6752 8.6752 16.5157 16.5157 16.5285 16.5285 19.4277 19.4277 19.6073 19.6073 k = 0.5000 0.3336 0.0886 ( 1864 PWs) bands (ev): -9.2151 -9.2151 -9.2004 -9.2004 -8.3978 -8.3978 -8.3975 -8.3975 0.1594 0.1594 0.1760 0.1760 2.3780 2.3780 2.4214 2.4214 3.7160 3.7160 3.7310 3.7310 6.4343 6.4343 6.4451 6.4451 7.7099 7.7099 7.7131 7.7131 8.6703 8.6703 8.6811 8.6811 16.4267 16.4267 16.4423 16.4423 19.5164 19.5164 19.6906 19.6906 k = 0.5000 0.3336 0.0975 ( 1860 PWs) bands (ev): -9.2143 -9.2143 -9.1999 -9.1999 -8.3923 -8.3923 -8.3919 -8.3919 0.0797 0.0797 0.0967 0.0967 2.4322 2.4322 2.4717 2.4717 3.7232 3.7232 3.7411 3.7411 6.4986 6.4986 6.5098 6.5098 7.6918 7.6918 7.6949 7.6949 8.6765 8.6765 8.6872 8.6872 16.3359 16.3359 16.3538 16.3538 19.6066 19.6066 19.7754 19.7754 k = 0.5000 0.3336 0.1063 ( 1856 PWs) bands (ev): -9.2134 -9.2134 -9.1994 -9.1994 -8.3864 -8.3864 -8.3859 -8.3859 0.0007 0.0007 0.0179 0.0179 2.4774 2.4774 2.5128 2.5128 3.7403 3.7403 3.7615 3.7615 6.5639 6.5639 6.5757 6.5757 7.6732 7.6732 7.6762 7.6762 8.6829 8.6829 8.6935 8.6935 16.2441 16.2441 16.2639 16.2639 19.6971 19.6971 19.8607 19.8607 k = 0.5000 0.3336 0.1152 ( 1856 PWs) bands (ev): -9.2124 -9.2124 -9.1988 -9.1988 -8.3801 -8.3801 -8.3796 -8.3796 -0.0772 -0.0772 -0.0600 -0.0600 2.5124 2.5124 2.5435 2.5435 3.7687 3.7687 3.7934 3.7934 6.6292 6.6292 6.6418 6.6418 7.6548 7.6548 7.6575 7.6575 8.6892 8.6892 8.6997 8.6997 16.1518 16.1518 16.1732 16.1732 19.7873 19.7873 19.9455 19.9455 k = 0.5000 0.3336 0.1240 ( 1864 PWs) bands (ev): -9.2114 -9.2114 -9.1982 -9.1982 -8.3736 -8.3736 -8.3729 -8.3729 -0.1538 -0.1538 -0.1366 -0.1366 2.5367 2.5367 2.5635 2.5635 3.8089 3.8089 3.8371 3.8371 6.6931 6.6931 6.7067 6.7067 7.6373 7.6373 7.6395 7.6395 8.6953 8.6953 8.7058 8.7058 16.0598 16.0598 16.0823 16.0823 19.8763 19.8763 20.0291 20.0291 k = 0.5000 0.3336 0.1329 ( 1864 PWs) bands (ev): -9.2104 -9.2104 -9.1976 -9.1976 -8.3668 -8.3668 -8.3661 -8.3661 -0.2285 -0.2285 -0.2115 -0.2115 2.5504 2.5504 2.5734 2.5734 3.8607 3.8607 3.8921 3.8921 6.7540 6.7540 6.7690 6.7690 7.6219 7.6219 7.6233 7.6233 8.7013 8.7013 8.7117 8.7117 15.9686 15.9686 15.9920 15.9920 19.9634 19.9634 20.1107 20.1107 k = 0.5000 0.3336 0.1418 ( 1872 PWs) bands (ev): -9.2093 -9.2093 -9.1970 -9.1970 -8.3598 -8.3598 -8.3590 -8.3590 -0.3013 -0.3013 -0.2846 -0.2846 2.5546 2.5546 2.5740 2.5740 3.9232 3.9232 3.9575 3.9575 6.8102 6.8102 6.8268 6.8268 7.6099 7.6099 7.6102 7.6102 8.7070 8.7070 8.7172 8.7172 15.8786 15.8786 15.9025 15.9025 20.0480 20.0480 20.1894 20.1894 k = 0.5000 0.3336 0.1506 ( 1872 PWs) bands (ev): -9.2082 -9.2082 -9.1964 -9.1964 -8.3526 -8.3526 -8.3518 -8.3518 -0.3719 -0.3719 -0.3555 -0.3555 2.5506 2.5506 2.5670 2.5670 3.9951 3.9951 4.0319 4.0319 6.8593 6.8593 6.8779 6.8779 7.6020 7.6020 7.6031 7.6031 8.7122 8.7122 8.7223 8.7223 15.7902 15.7902 15.8144 15.8144 20.1294 20.1294 20.2647 20.2647 k = 0.5000 0.3336 0.1595 ( 1872 PWs) bands (ev): -9.2071 -9.2071 -9.1957 -9.1957 -8.3454 -8.3454 -8.3445 -8.3445 -0.4400 -0.4400 -0.4240 -0.4240 2.5400 2.5400 2.5538 2.5538 4.0748 4.0748 4.1136 4.1136 6.8990 6.8990 6.9198 6.9198 7.6008 7.6008 7.6035 7.6035 8.7168 8.7168 8.7269 8.7269 15.7038 15.7038 15.7280 15.7280 20.2070 20.2070 20.3358 20.3358 k = 0.5000 0.3336 0.1683 ( 1876 PWs) bands (ev): -9.2059 -9.2059 -9.1951 -9.1951 -8.3380 -8.3380 -8.3371 -8.3371 -0.5056 -0.5056 -0.4901 -0.4901 2.5243 2.5243 2.5359 2.5359 4.1608 4.1608 4.2013 4.2013 6.9269 6.9269 6.9500 6.9500 7.6087 7.6087 7.6130 7.6130 8.7209 8.7209 8.7308 8.7308 15.6197 15.6197 15.6437 15.6437 20.2802 20.2802 20.4022 20.4022 k = 0.5000 0.3336 0.1772 ( 1872 PWs) bands (ev): -9.2047 -9.2047 -9.1944 -9.1944 -8.3307 -8.3307 -8.3298 -8.3298 -0.5684 -0.5684 -0.5535 -0.5535 2.5049 2.5049 2.5147 2.5147 4.2519 4.2519 4.2936 4.2936 6.9416 6.9416 6.9668 6.9668 7.6271 7.6271 7.6328 7.6328 8.7242 8.7242 8.7340 8.7340 15.5383 15.5383 15.5620 15.5620 20.3485 20.3485 20.4632 20.4632 k = 0.5000 0.3336 0.1861 ( 1872 PWs) bands (ev): -9.2035 -9.2035 -9.1938 -9.1938 -8.3235 -8.3235 -8.3225 -8.3225 -0.6283 -0.6283 -0.6140 -0.6140 2.4828 2.4828 2.4912 2.4912 4.3468 4.3468 4.3894 4.3894 6.9426 6.9426 6.9696 6.9696 7.6560 7.6560 7.6628 7.6628 8.7266 8.7266 8.7363 8.7363 15.4599 15.4599 15.4829 15.4829 20.4113 20.4113 20.5183 20.5183 k = 0.5000 0.3336 0.1949 ( 1868 PWs) bands (ev): -9.2023 -9.2023 -9.1931 -9.1931 -8.3163 -8.3163 -8.3153 -8.3153 -0.6852 -0.6852 -0.6716 -0.6716 2.4592 2.4592 2.4663 2.4663 4.4446 4.4446 4.4878 4.4878 6.9310 6.9310 6.9593 6.9593 7.6943 7.6943 7.7017 7.7017 8.7281 8.7281 8.7377 8.7377 15.3846 15.3846 15.4070 15.4070 20.4683 20.4683 20.5671 20.5671 k = 0.5000 0.3336 0.2038 ( 1864 PWs) bands (ev): -9.2012 -9.2012 -9.1925 -9.1925 -8.3093 -8.3093 -8.3083 -8.3083 -0.7390 -0.7390 -0.7261 -0.7261 2.4347 2.4347 2.4408 2.4408 4.5442 4.5442 4.5879 4.5879 6.9085 6.9085 6.9378 6.9378 7.7399 7.7399 7.7476 7.7476 8.7286 8.7286 8.7380 8.7380 15.3129 15.3129 15.3344 15.3344 20.5190 20.5190 20.6094 20.6094 k = 0.5000 0.3336 0.2126 ( 1864 PWs) bands (ev): -9.2000 -9.2000 -9.1920 -9.1920 -8.3025 -8.3025 -8.3015 -8.3015 -0.7895 -0.7895 -0.7773 -0.7773 2.4100 2.4100 2.4153 2.4153 4.6452 4.6452 4.6890 4.6890 6.8769 6.8769 6.9069 6.9069 7.7906 7.7906 7.7983 7.7983 8.7279 8.7279 8.7372 8.7372 15.2450 15.2450 15.2654 15.2654 20.5632 20.5632 20.6451 20.6451 k = 0.5000 0.3336 0.2215 ( 1872 PWs) bands (ev): -9.1989 -9.1989 -9.1914 -9.1914 -8.2960 -8.2960 -8.2950 -8.2950 -0.8366 -0.8366 -0.8252 -0.8252 2.3858 2.3858 2.3902 2.3902 4.7467 4.7467 4.7906 4.7906 6.8377 6.8377 6.8683 6.8683 7.8442 7.8442 7.8519 7.8519 8.7259 8.7259 8.7351 8.7351 15.1810 15.1810 15.2003 15.2003 20.6009 20.6009 20.6742 20.6742 k = 0.5000 0.3336 0.2304 ( 1864 PWs) bands (ev): -9.1978 -9.1978 -9.1909 -9.1909 -8.2897 -8.2897 -8.2888 -8.2888 -0.8803 -0.8803 -0.8698 -0.8698 2.3623 2.3623 2.3661 2.3661 4.8484 4.8484 4.8921 4.8921 6.7925 6.7925 6.8237 6.8237 7.8992 7.8992 7.9067 7.9067 8.7228 8.7228 8.7317 8.7317 15.1213 15.1213 15.1394 15.1394 20.6324 20.6324 20.6971 20.6971 k = 0.5000 0.3336 0.2392 ( 1864 PWs) bands (ev): -9.1967 -9.1967 -9.1905 -9.1905 -8.2839 -8.2839 -8.2830 -8.2830 -0.9205 -0.9205 -0.9108 -0.9108 2.3399 2.3399 2.3432 2.3432 4.9495 4.9495 4.9930 4.9930 6.7423 6.7423 6.7739 6.7739 7.9543 7.9543 7.9616 7.9616 8.7182 8.7182 8.7270 8.7270 15.0661 15.0661 15.0828 15.0828 20.6577 20.6577 20.7142 20.7142 k = 0.5000 0.3336 0.2481 ( 1864 PWs) bands (ev): -9.1957 -9.1957 -9.1901 -9.1901 -8.2784 -8.2784 -8.2776 -8.2776 -0.9570 -0.9570 -0.9482 -0.9482 2.3191 2.3191 2.3219 2.3219 5.0498 5.0498 5.0928 5.0928 6.6879 6.6879 6.7199 6.7199 8.0084 8.0084 8.0155 8.0155 8.7123 8.7123 8.7208 8.7208 15.0155 15.0155 15.0307 15.0307 20.6776 20.6776 20.7262 20.7262 k = 0.5000 0.3336 0.2569 ( 1860 PWs) bands (ev): -9.1948 -9.1948 -9.1897 -9.1897 -8.2734 -8.2734 -8.2726 -8.2726 -0.9898 -0.9898 -0.9819 -0.9819 2.2999 2.2999 2.3022 2.3022 5.1486 5.1486 5.1910 5.1910 6.6301 6.6301 6.6624 6.6624 8.0606 8.0606 8.0674 8.0674 8.7051 8.7051 8.7133 8.7133 14.9697 14.9697 14.9835 14.9835 20.6927 20.6927 20.7340 20.7340 k = 0.5000 0.3336 0.2658 ( 1852 PWs) bands (ev): -9.1939 -9.1939 -9.1894 -9.1894 -8.2688 -8.2688 -8.2681 -8.2681 -1.0188 -1.0188 -1.0119 -1.0119 2.2825 2.2825 2.2845 2.2845 5.2455 5.2455 5.2868 5.2868 6.5697 6.5697 6.6021 6.6021 8.1101 8.1101 8.1167 8.1167 8.6967 8.6967 8.7045 8.7045 14.9290 14.9290 14.9412 14.9412 20.7037 20.7037 20.7382 20.7382 k = 0.5000 0.3336 0.2747 ( 1852 PWs) bands (ev): -9.1930 -9.1930 -9.1892 -9.1892 -8.2648 -8.2648 -8.2642 -8.2642 -1.0441 -1.0441 -1.0381 -1.0381 2.2672 2.2672 2.2689 2.2689 5.3396 5.3396 5.3797 5.3797 6.5075 6.5075 6.5398 6.5398 8.1564 8.1564 8.1626 8.1626 8.6872 8.6872 8.6945 8.6945 14.8936 14.8936 14.9041 14.9041 20.7114 20.7114 20.7397 20.7397 k = 0.5000 0.3336 0.2835 ( 1848 PWs) bands (ev): -9.1923 -9.1923 -9.1891 -9.1891 -8.2614 -8.2614 -8.2608 -8.2608 -1.0654 -1.0654 -1.0604 -1.0604 2.2541 2.2541 2.2555 2.2555 5.4301 5.4301 5.4684 5.4684 6.4447 6.4447 6.4763 6.4763 8.1985 8.1985 8.2043 8.2043 8.6770 8.6770 8.6838 8.6838 14.8634 14.8634 14.8723 14.8723 20.7167 20.7167 20.7394 20.7394 k = 0.5000 0.3336 0.2924 ( 1844 PWs) bands (ev): -9.1916 -9.1916 -9.1890 -9.1890 -8.2585 -8.2585 -8.2580 -8.2580 -1.0829 -1.0829 -1.0788 -1.0788 2.2433 2.2433 2.2443 2.2443 5.5156 5.5156 5.5511 5.5511 6.3829 6.3829 6.4131 6.4131 8.2357 8.2357 8.2409 8.2409 8.6668 8.6668 8.6727 8.6727 14.8387 14.8387 14.8459 14.8459 20.7202 20.7202 20.7377 20.7377 k = 0.5000 0.3336 0.3012 ( 1848 PWs) bands (ev): -9.1910 -9.1910 -9.1890 -9.1890 -8.2562 -8.2562 -8.2559 -8.2559 -1.0963 -1.0963 -1.0933 -1.0933 2.2348 2.2348 2.2355 2.2355 5.5937 5.5937 5.6252 5.6252 6.3250 6.3250 6.3524 6.3524 8.2670 8.2670 8.2712 8.2712 8.6571 8.6571 8.6620 8.6620 14.8196 14.8196 14.8250 14.8250 20.7227 20.7227 20.7354 20.7354 k = 0.5000 0.3336 0.3101 ( 1852 PWs) bands (ev): -9.1904 -9.1904 -9.1892 -9.1892 -8.2545 -8.2545 -8.2543 -8.2543 -1.1058 -1.1058 -1.1038 -1.1038 2.2287 2.2287 2.2292 2.2292 5.6608 5.6608 5.6855 5.6855 6.2760 6.2760 6.2980 6.2980 8.2910 8.2910 8.2941 8.2941 8.6492 8.6492 8.6527 8.6527 14.8062 14.8062 14.8098 14.8098 20.7246 20.7246 20.7329 20.7329 k = 0.5000 0.3336 0.3190 ( 1864 PWs) bands (ev): -9.1900 -9.1900 -9.1894 -9.1894 -8.2535 -8.2535 -8.2534 -8.2534 -1.1114 -1.1114 -1.1103 -1.1103 2.2251 2.2251 2.2253 2.2253 5.7103 5.7103 5.7245 5.7245 6.2436 6.2436 6.2564 6.2564 8.3066 8.3066 8.3082 8.3082 8.6442 8.6442 8.6460 8.6460 14.7984 14.7984 14.8002 14.8002 20.7263 20.7263 20.7304 20.7304 k = 0.5000 0.3336 0.3278 ( 1864 PWs) bands (ev): -9.1896 -9.1896 -9.1896 -9.1896 -8.2531 -8.2531 -8.2531 -8.2531 -1.1129 -1.1129 -1.1129 -1.1129 2.2239 2.2239 2.2239 2.2239 5.7336 5.7336 5.7336 5.7336 6.2362 6.2362 6.2362 6.2362 8.3125 8.3125 8.3125 8.3125 8.6430 8.6430 8.6430 8.6430 14.7964 14.7964 14.7964 14.7964 20.7283 20.7283 20.7283 20.7283 Writing output data file GeO2.save init_run : 0.25s CPU 0.54s WALL ( 1 calls) electrons : 244.94s CPU 247.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 244.93s CPU 247.93s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 536 calls) cegterg : 231.59s CPU 234.10s WALL ( 855 calls) Called by sum_band: Called by *egterg: h_psi : 140.03s CPU 147.94s WALL ( 15761 calls) s_psi : 5.09s CPU 5.33s WALL ( 15761 calls) g_psi : 0.17s CPU 0.26s WALL ( 14370 calls) cdiaghg : 74.61s CPU 70.41s WALL ( 14906 calls) cegterg:over : 9.20s CPU 9.17s WALL ( 14370 calls) cegterg:upda : 1.69s CPU 3.69s WALL ( 14370 calls) cegterg:last : 1.79s CPU 2.83s WALL ( 2912 calls) Called by h_psi: h_psi:vloc : 132.70s CPU 138.76s WALL ( 15761 calls) h_psi:vnl : 7.28s CPU 8.98s WALL ( 15761 calls) add_vuspsi : 3.21s CPU 3.78s WALL ( 15761 calls) General routines calbec : 4.04s CPU 5.17s WALL ( 15761 calls) fft : 0.01s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 130.37s CPU 134.08s WALL ( 1379700 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.07s CPU 0.12s WALL ( 1072 calls) Parallel routines fft_scatter : 113.60s CPU 101.14s WALL ( 1379723 calls) PWSCF : 4m28.54s CPU 4m37.00s WALL This run was terminated on: 16:28: 3 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=