Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbO.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 23 6 1450 629 102 Max 41 24 7 1455 654 109 Sum 1457 845 249 52271 23093 3839 bravais-lattice index = 14 lattice parameter (alat) = 7.4972 a.u. unit-cell volume = 530.2764 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 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)= 7.497164 celldm(2)= 1.000000 celldm(3)= 1.258378 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.258378 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.794674 ) PseudoPot. # 1 for O read from file: /users/gautes/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 PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) 4 Sym. Ops., with inversion, found (note: 12 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -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 [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0026525 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0026525 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026525 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0026525 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0026525 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0026525 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0026525 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0026525 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0026525 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026525 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0026525 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0026525 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0026525 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026525 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0026525 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0026525 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0026525 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026525 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0026525 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0026525 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0026525 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0026525 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0026525 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0026525 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0026525 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026525 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0026525 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0026525 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0026525 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0026525 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0026525 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0026525 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0026525 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0026525 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0026525 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0026525 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0026525 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0026525 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0026525 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026525 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0026525 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0026525 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026525 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0026525 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0026525 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0026525 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026525 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0026525 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0026525 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0026525 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026525 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0026525 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0026525 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0026525 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026525 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0026525 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0026525 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0026525 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0026525 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0026525 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026525 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0026525 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026525 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0026525 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0026525 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0026525 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026525 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0026525 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0026525 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0026525 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0026525 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0026525 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0026525 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0026525 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0026525 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0026525 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0026525 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0026525 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0026525 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0026525 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0026525 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0026525 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0026525 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026525 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0026525 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0026525 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0026525 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0026525 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0026525 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0026525 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0026525 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0026525 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0026525 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0026525 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0026525 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0026525 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0026525 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026525 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0026525 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0026525 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0026525 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0026525 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0026525 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0026525 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0026525 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0026525 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0026525 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0026525 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0026525 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0026525 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0026525 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026525 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0026525 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0026525 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0026525 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0026525 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0026525 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0026525 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0026525 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0026525 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0026525 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0026525 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0026525 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0026525 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0026525 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 141) = ( 0.0000000 0.0000000 0.0124168), wk = 0.0026525 k( 142) = ( 0.0000000 0.0000000 0.0248336), wk = 0.0026525 k( 143) = ( 0.0000000 0.0000000 0.0372503), wk = 0.0026525 k( 144) = ( 0.0000000 0.0000000 0.0496671), wk = 0.0026525 k( 145) = ( 0.0000000 0.0000000 0.0620839), wk = 0.0026525 k( 146) = ( 0.0000000 0.0000000 0.0745007), wk = 0.0026525 k( 147) = ( 0.0000000 0.0000000 0.0869174), wk = 0.0026525 k( 148) = ( 0.0000000 0.0000000 0.0993342), wk = 0.0026525 k( 149) = ( 0.0000000 0.0000000 0.1117510), wk = 0.0026525 k( 150) = ( 0.0000000 0.0000000 0.1241678), wk = 0.0026525 k( 151) = ( 0.0000000 0.0000000 0.1365845), wk = 0.0026525 k( 152) = ( 0.0000000 0.0000000 0.1490013), wk = 0.0026525 k( 153) = ( 0.0000000 0.0000000 0.1614181), wk = 0.0026525 k( 154) = ( 0.0000000 0.0000000 0.1738349), wk = 0.0026525 k( 155) = ( 0.0000000 0.0000000 0.1862516), wk = 0.0026525 k( 156) = ( 0.0000000 0.0000000 0.1986684), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.2110852), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.2235020), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.2359187), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.2483355), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.2607523), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.2731691), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.2855859), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.2980026), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.3104194), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.3228362), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.3352530), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.3476697), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.3600865), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.3725033), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.3849201), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.3973368), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.3973368), wk = 0.0026525 k( 174) = ( 0.0000000 0.0125000 0.3973368), wk = 0.0026525 k( 175) = ( 0.0000000 0.0250000 0.3973368), wk = 0.0026525 k( 176) = ( 0.0000000 0.0375000 0.3973368), wk = 0.0026525 k( 177) = ( 0.0000000 0.0500000 0.3973368), wk = 0.0026525 k( 178) = ( 0.0000000 0.0625000 0.3973368), wk = 0.0026525 k( 179) = ( 0.0000000 0.0750000 0.3973368), wk = 0.0026525 k( 180) = ( 0.0000000 0.0875000 0.3973368), wk = 0.0026525 k( 181) = ( 0.0000000 0.1000000 0.3973368), wk = 0.0026525 k( 182) = ( 0.0000000 0.1125000 0.3973368), wk = 0.0026525 k( 183) = ( 0.0000000 0.1250000 0.3973368), wk = 0.0026525 k( 184) = ( 0.0000000 0.1375000 0.3973368), wk = 0.0026525 k( 185) = ( 0.0000000 0.1500000 0.3973368), wk = 0.0026525 k( 186) = ( 0.0000000 0.1625000 0.3973368), wk = 0.0026525 k( 187) = ( 0.0000000 0.1750000 0.3973368), wk = 0.0026525 k( 188) = ( 0.0000000 0.1875000 0.3973368), wk = 0.0026525 k( 189) = ( 0.0000000 0.2000000 0.3973368), wk = 0.0026525 k( 190) = ( 0.0000000 0.2125000 0.3973368), wk = 0.0026525 k( 191) = ( 0.0000000 0.2250000 0.3973368), wk = 0.0026525 k( 192) = ( 0.0000000 0.2375000 0.3973368), wk = 0.0026525 k( 193) = ( 0.0000000 0.2500000 0.3973368), wk = 0.0026525 k( 194) = ( 0.0000000 0.2625000 0.3973368), wk = 0.0026525 k( 195) = ( 0.0000000 0.2750000 0.3973368), wk = 0.0026525 k( 196) = ( 0.0000000 0.2875000 0.3973368), wk = 0.0026525 k( 197) = ( 0.0000000 0.3000000 0.3973368), wk = 0.0026525 k( 198) = ( 0.0000000 0.3125000 0.3973368), wk = 0.0026525 k( 199) = ( 0.0000000 0.3250000 0.3973368), wk = 0.0026525 k( 200) = ( 0.0000000 0.3375000 0.3973368), wk = 0.0026525 k( 201) = ( 0.0000000 0.3500000 0.3973368), wk = 0.0026525 k( 202) = ( 0.0000000 0.3625000 0.3973368), wk = 0.0026525 k( 203) = ( 0.0000000 0.3750000 0.3973368), wk = 0.0026525 k( 204) = ( 0.0000000 0.3875000 0.3973368), wk = 0.0026525 k( 205) = ( 0.0000000 0.4000000 0.3973368), wk = 0.0026525 k( 206) = ( 0.0000000 0.4125000 0.3973368), wk = 0.0026525 k( 207) = ( 0.0000000 0.4250000 0.3973368), wk = 0.0026525 k( 208) = ( 0.0000000 0.4375000 0.3973368), wk = 0.0026525 k( 209) = ( 0.0000000 0.4500000 0.3973368), wk = 0.0026525 k( 210) = ( 0.0000000 0.4625000 0.3973368), wk = 0.0026525 k( 211) = ( 0.0000000 0.4750000 0.3973368), wk = 0.0026525 k( 212) = ( 0.0000000 0.4875000 0.3973368), wk = 0.0026525 k( 213) = ( 0.0000000 0.5000000 0.3973368), wk = 0.0026525 k( 214) = ( 0.0000000 0.5000000 0.3973368), wk = 0.0026525 k( 215) = ( 0.0125000 0.5000000 0.3973368), wk = 0.0026525 k( 216) = ( 0.0250000 0.5000000 0.3973368), wk = 0.0026525 k( 217) = ( 0.0375000 0.5000000 0.3973368), wk = 0.0026525 k( 218) = ( 0.0500000 0.5000000 0.3973368), wk = 0.0026525 k( 219) = ( 0.0625000 0.5000000 0.3973368), wk = 0.0026525 k( 220) = ( 0.0750000 0.5000000 0.3973368), wk = 0.0026525 k( 221) = ( 0.0875000 0.5000000 0.3973368), wk = 0.0026525 k( 222) = ( 0.1000000 0.5000000 0.3973368), wk = 0.0026525 k( 223) = ( 0.1125000 0.5000000 0.3973368), wk = 0.0026525 k( 224) = ( 0.1250000 0.5000000 0.3973368), wk = 0.0026525 k( 225) = ( 0.1375000 0.5000000 0.3973368), wk = 0.0026525 k( 226) = ( 0.1500000 0.5000000 0.3973368), wk = 0.0026525 k( 227) = ( 0.1625000 0.5000000 0.3973368), wk = 0.0026525 k( 228) = ( 0.1750000 0.5000000 0.3973368), wk = 0.0026525 k( 229) = ( 0.1875000 0.5000000 0.3973368), wk = 0.0026525 k( 230) = ( 0.2000000 0.5000000 0.3973368), wk = 0.0026525 k( 231) = ( 0.2125000 0.5000000 0.3973368), wk = 0.0026525 k( 232) = ( 0.2250000 0.5000000 0.3973368), wk = 0.0026525 k( 233) = ( 0.2375000 0.5000000 0.3973368), wk = 0.0026525 k( 234) = ( 0.2500000 0.5000000 0.3973368), wk = 0.0026525 k( 235) = ( 0.2625000 0.5000000 0.3973368), wk = 0.0026525 k( 236) = ( 0.2750000 0.5000000 0.3973368), wk = 0.0026525 k( 237) = ( 0.2875000 0.5000000 0.3973368), wk = 0.0026525 k( 238) = ( 0.3000000 0.5000000 0.3973368), wk = 0.0026525 k( 239) = ( 0.3125000 0.5000000 0.3973368), wk = 0.0026525 k( 240) = ( 0.3250000 0.5000000 0.3973368), wk = 0.0026525 k( 241) = ( 0.3375000 0.5000000 0.3973368), wk = 0.0026525 k( 242) = ( 0.3500000 0.5000000 0.3973368), wk = 0.0026525 k( 243) = ( 0.3625000 0.5000000 0.3973368), wk = 0.0026525 k( 244) = ( 0.3750000 0.5000000 0.3973368), wk = 0.0026525 k( 245) = ( 0.3875000 0.5000000 0.3973368), wk = 0.0026525 k( 246) = ( 0.4000000 0.5000000 0.3973368), wk = 0.0026525 k( 247) = ( 0.4125000 0.5000000 0.3973368), wk = 0.0026525 k( 248) = ( 0.4250000 0.5000000 0.3973368), wk = 0.0026525 k( 249) = ( 0.4375000 0.5000000 0.3973368), wk = 0.0026525 k( 250) = ( 0.4500000 0.5000000 0.3973368), wk = 0.0026525 k( 251) = ( 0.4625000 0.5000000 0.3973368), wk = 0.0026525 k( 252) = ( 0.4750000 0.5000000 0.3973368), wk = 0.0026525 k( 253) = ( 0.4875000 0.5000000 0.3973368), wk = 0.0026525 k( 254) = ( 0.5000000 0.5000000 0.3973368), wk = 0.0026525 k( 255) = ( 0.5000000 0.5000000 0.3973368), wk = 0.0026525 k( 256) = ( 0.4910714 0.4910714 0.3973368), wk = 0.0026525 k( 257) = ( 0.4821429 0.4821429 0.3973368), wk = 0.0026525 k( 258) = ( 0.4732143 0.4732143 0.3973368), wk = 0.0026525 k( 259) = ( 0.4642857 0.4642857 0.3973368), wk = 0.0026525 k( 260) = ( 0.4553571 0.4553571 0.3973368), wk = 0.0026525 k( 261) = ( 0.4464286 0.4464286 0.3973368), wk = 0.0026525 k( 262) = ( 0.4375000 0.4375000 0.3973368), wk = 0.0026525 k( 263) = ( 0.4285714 0.4285714 0.3973368), wk = 0.0026525 k( 264) = ( 0.4196429 0.4196429 0.3973368), wk = 0.0026525 k( 265) = ( 0.4107143 0.4107143 0.3973368), wk = 0.0026525 k( 266) = ( 0.4017857 0.4017857 0.3973368), wk = 0.0026525 k( 267) = ( 0.3928571 0.3928571 0.3973368), wk = 0.0026525 k( 268) = ( 0.3839286 0.3839286 0.3973368), wk = 0.0026525 k( 269) = ( 0.3750000 0.3750000 0.3973368), wk = 0.0026525 k( 270) = ( 0.3660714 0.3660714 0.3973368), wk = 0.0026525 k( 271) = ( 0.3571429 0.3571429 0.3973368), wk = 0.0026525 k( 272) = ( 0.3482143 0.3482143 0.3973368), wk = 0.0026525 k( 273) = ( 0.3392857 0.3392857 0.3973368), wk = 0.0026525 k( 274) = ( 0.3303571 0.3303571 0.3973368), wk = 0.0026525 k( 275) = ( 0.3214286 0.3214286 0.3973368), wk = 0.0026525 k( 276) = ( 0.3125000 0.3125000 0.3973368), wk = 0.0026525 k( 277) = ( 0.3035714 0.3035714 0.3973368), wk = 0.0026525 k( 278) = ( 0.2946429 0.2946429 0.3973368), wk = 0.0026525 k( 279) = ( 0.2857143 0.2857143 0.3973368), wk = 0.0026525 k( 280) = ( 0.2767857 0.2767857 0.3973368), wk = 0.0026525 k( 281) = ( 0.2678571 0.2678571 0.3973368), wk = 0.0026525 k( 282) = ( 0.2589286 0.2589286 0.3973368), wk = 0.0026525 k( 283) = ( 0.2500000 0.2500000 0.3973368), wk = 0.0026525 k( 284) = ( 0.2410714 0.2410714 0.3973368), wk = 0.0026525 k( 285) = ( 0.2321429 0.2321429 0.3973368), wk = 0.0026525 k( 286) = ( 0.2232143 0.2232143 0.3973368), wk = 0.0026525 k( 287) = ( 0.2142857 0.2142857 0.3973368), wk = 0.0026525 k( 288) = ( 0.2053571 0.2053571 0.3973368), wk = 0.0026525 k( 289) = ( 0.1964286 0.1964286 0.3973368), wk = 0.0026525 k( 290) = ( 0.1875000 0.1875000 0.3973368), wk = 0.0026525 k( 291) = ( 0.1785714 0.1785714 0.3973368), wk = 0.0026525 k( 292) = ( 0.1696429 0.1696429 0.3973368), wk = 0.0026525 k( 293) = ( 0.1607143 0.1607143 0.3973368), wk = 0.0026525 k( 294) = ( 0.1517857 0.1517857 0.3973368), wk = 0.0026525 k( 295) = ( 0.1428571 0.1428571 0.3973368), wk = 0.0026525 k( 296) = ( 0.1339286 0.1339286 0.3973368), wk = 0.0026525 k( 297) = ( 0.1250000 0.1250000 0.3973368), wk = 0.0026525 k( 298) = ( 0.1160714 0.1160714 0.3973368), wk = 0.0026525 k( 299) = ( 0.1071429 0.1071429 0.3973368), wk = 0.0026525 k( 300) = ( 0.0982143 0.0982143 0.3973368), wk = 0.0026525 k( 301) = ( 0.0892857 0.0892857 0.3973368), wk = 0.0026525 k( 302) = ( 0.0803571 0.0803571 0.3973368), wk = 0.0026525 k( 303) = ( 0.0714286 0.0714286 0.3973368), wk = 0.0026525 k( 304) = ( 0.0625000 0.0625000 0.3973368), wk = 0.0026525 k( 305) = ( 0.0535714 0.0535714 0.3973368), wk = 0.0026525 k( 306) = ( 0.0446429 0.0446429 0.3973368), wk = 0.0026525 k( 307) = ( 0.0357143 0.0357143 0.3973368), wk = 0.0026525 k( 308) = ( 0.0267857 0.0267857 0.3973368), wk = 0.0026525 k( 309) = ( 0.0178571 0.0178571 0.3973368), wk = 0.0026525 k( 310) = ( 0.0089286 0.0089286 0.3973368), wk = 0.0026525 k( 311) = ( 0.0000000 0.0000000 0.3973368), wk = 0.0026525 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 313) = ( 0.0000000 0.5000000 0.0124168), wk = 0.0026525 k( 314) = ( 0.0000000 0.5000000 0.0248336), wk = 0.0026525 k( 315) = ( 0.0000000 0.5000000 0.0372503), wk = 0.0026525 k( 316) = ( 0.0000000 0.5000000 0.0496671), wk = 0.0026525 k( 317) = ( 0.0000000 0.5000000 0.0620839), wk = 0.0026525 k( 318) = ( 0.0000000 0.5000000 0.0745007), wk = 0.0026525 k( 319) = ( 0.0000000 0.5000000 0.0869174), wk = 0.0026525 k( 320) = ( 0.0000000 0.5000000 0.0993342), wk = 0.0026525 k( 321) = ( 0.0000000 0.5000000 0.1117510), wk = 0.0026525 k( 322) = ( 0.0000000 0.5000000 0.1241678), wk = 0.0026525 k( 323) = ( 0.0000000 0.5000000 0.1365845), wk = 0.0026525 k( 324) = ( 0.0000000 0.5000000 0.1490013), wk = 0.0026525 k( 325) = ( 0.0000000 0.5000000 0.1614181), wk = 0.0026525 k( 326) = ( 0.0000000 0.5000000 0.1738349), wk = 0.0026525 k( 327) = ( 0.0000000 0.5000000 0.1862516), wk = 0.0026525 k( 328) = ( 0.0000000 0.5000000 0.1986684), wk = 0.0026525 k( 329) = ( 0.0000000 0.5000000 0.2110852), wk = 0.0026525 k( 330) = ( 0.0000000 0.5000000 0.2235020), wk = 0.0026525 k( 331) = ( 0.0000000 0.5000000 0.2359187), wk = 0.0026525 k( 332) = ( 0.0000000 0.5000000 0.2483355), wk = 0.0026525 k( 333) = ( 0.0000000 0.5000000 0.2607523), wk = 0.0026525 k( 334) = ( 0.0000000 0.5000000 0.2731691), wk = 0.0026525 k( 335) = ( 0.0000000 0.5000000 0.2855859), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 0.2980026), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.3104194), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.3228362), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.3352530), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.3476697), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.3600865), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.3725033), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.3849201), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.3973368), wk = 0.0026525 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 346) = ( 0.5000000 0.5000000 0.0124168), wk = 0.0026525 k( 347) = ( 0.5000000 0.5000000 0.0248336), wk = 0.0026525 k( 348) = ( 0.5000000 0.5000000 0.0372503), wk = 0.0026525 k( 349) = ( 0.5000000 0.5000000 0.0496671), wk = 0.0026525 k( 350) = ( 0.5000000 0.5000000 0.0620839), wk = 0.0026525 k( 351) = ( 0.5000000 0.5000000 0.0745007), wk = 0.0026525 k( 352) = ( 0.5000000 0.5000000 0.0869174), wk = 0.0026525 k( 353) = ( 0.5000000 0.5000000 0.0993342), wk = 0.0026525 k( 354) = ( 0.5000000 0.5000000 0.1117510), wk = 0.0026525 k( 355) = ( 0.5000000 0.5000000 0.1241678), wk = 0.0026525 k( 356) = ( 0.5000000 0.5000000 0.1365845), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 0.1490013), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.1614181), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.1738349), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.1862516), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.1986684), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.2110852), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.2235020), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.2359187), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.2483355), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.2607523), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.2731691), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.2855859), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.2980026), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.3104194), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.3228362), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.3352530), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.3476697), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.3600865), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.3725033), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.3849201), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.3973368), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0026525 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0026525 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0026525 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0026525 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0026525 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0026525 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0026525 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0026525 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0026525 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0026525 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0026525 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0026525 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0026525 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0026525 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0026525 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0026525 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0026525 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0026525 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026525 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0026525 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0026525 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0026525 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026525 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0026525 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0026525 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0026525 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0026525 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0026525 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0026525 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0026525 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0026525 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0026525 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0026525 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0026525 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0026525 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0026525 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0026525 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0026525 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0026525 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0026525 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0026525 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0026525 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0026525 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0026525 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026525 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0026525 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0026525 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0026525 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0026525 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0026525 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0026525 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026525 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0026525 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0026525 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0026525 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026525 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0026525 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0026525 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0026525 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026525 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0026525 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0026525 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0026525 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0026525 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0026525 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0026525 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0026525 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026525 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0026525 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0026525 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0026525 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026525 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0026525 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0026525 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0026525 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0026525 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0026525 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0026525 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0026525 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0026525 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0026525 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0026525 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0026525 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0026525 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0026525 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0026525 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0026525 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0026525 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026525 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0026525 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0026525 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0026525 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0026525 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0026525 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0026525 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0026525 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0026525 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0026525 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0026525 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0026525 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0026525 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0026525 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026525 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0026525 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0026525 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0026525 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0026525 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0026525 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0026525 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0026525 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0026525 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0026525 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0026525 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0026525 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0026525 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0026525 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0026525 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0026525 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0026525 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0026525 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0026525 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0026525 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0026525 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0026525 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0026525 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0026525 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0026525 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0026525 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0026525 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0026525 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 141) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0026525 k( 142) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0026525 k( 143) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0026525 k( 144) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026525 k( 145) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0026525 k( 146) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0026525 k( 147) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0026525 k( 148) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026525 k( 149) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0026525 k( 150) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0026525 k( 151) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0026525 k( 152) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026525 k( 153) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0026525 k( 154) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0026525 k( 155) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0026525 k( 156) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 174) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0026525 k( 175) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0026525 k( 176) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0026525 k( 177) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0026525 k( 178) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0026525 k( 179) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0026525 k( 180) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0026525 k( 181) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0026525 k( 182) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0026525 k( 183) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0026525 k( 184) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0026525 k( 185) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0026525 k( 186) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0026525 k( 187) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0026525 k( 188) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0026525 k( 189) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0026525 k( 190) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0026525 k( 191) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0026525 k( 192) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0026525 k( 193) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026525 k( 194) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0026525 k( 195) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0026525 k( 196) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0026525 k( 197) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0026525 k( 198) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0026525 k( 199) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0026525 k( 200) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0026525 k( 201) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0026525 k( 202) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0026525 k( 203) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0026525 k( 204) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0026525 k( 205) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0026525 k( 206) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0026525 k( 207) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0026525 k( 208) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0026525 k( 209) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0026525 k( 210) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0026525 k( 211) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0026525 k( 212) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0026525 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 214) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 215) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0026525 k( 216) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0026525 k( 217) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0026525 k( 218) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0026525 k( 219) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0026525 k( 220) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0026525 k( 221) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0026525 k( 222) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026525 k( 223) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0026525 k( 224) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0026525 k( 225) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0026525 k( 226) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0026525 k( 227) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0026525 k( 228) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0026525 k( 229) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0026525 k( 230) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026525 k( 231) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0026525 k( 232) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0026525 k( 233) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0026525 k( 234) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026525 k( 235) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0026525 k( 236) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0026525 k( 237) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0026525 k( 238) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026525 k( 239) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0026525 k( 240) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0026525 k( 241) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0026525 k( 242) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0026525 k( 243) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0026525 k( 244) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0026525 k( 245) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0026525 k( 246) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026525 k( 247) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0026525 k( 248) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0026525 k( 249) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0026525 k( 250) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0026525 k( 251) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0026525 k( 252) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0026525 k( 253) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0026525 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 256) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0026525 k( 257) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0026525 k( 258) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0026525 k( 259) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0026525 k( 260) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0026525 k( 261) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0026525 k( 262) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0026525 k( 263) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0026525 k( 264) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0026525 k( 265) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0026525 k( 266) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0026525 k( 267) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0026525 k( 268) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0026525 k( 269) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0026525 k( 270) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0026525 k( 271) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0026525 k( 272) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0026525 k( 273) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0026525 k( 274) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0026525 k( 275) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0026525 k( 276) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0026525 k( 277) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0026525 k( 278) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0026525 k( 279) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0026525 k( 280) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0026525 k( 281) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0026525 k( 282) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0026525 k( 283) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026525 k( 284) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0026525 k( 285) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0026525 k( 286) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0026525 k( 287) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0026525 k( 288) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0026525 k( 289) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0026525 k( 290) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0026525 k( 291) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0026525 k( 292) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0026525 k( 293) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0026525 k( 294) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0026525 k( 295) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0026525 k( 296) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0026525 k( 297) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0026525 k( 298) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0026525 k( 299) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0026525 k( 300) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0026525 k( 301) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0026525 k( 302) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0026525 k( 303) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0026525 k( 304) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0026525 k( 305) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0026525 k( 306) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0026525 k( 307) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0026525 k( 308) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0026525 k( 309) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0026525 k( 310) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0026525 k( 311) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 312) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 313) = ( 0.0000000 0.5000000 0.0156250), wk = 0.0026525 k( 314) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0026525 k( 315) = ( 0.0000000 0.5000000 0.0468750), wk = 0.0026525 k( 316) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0026525 k( 317) = ( 0.0000000 0.5000000 0.0781250), wk = 0.0026525 k( 318) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0026525 k( 319) = ( 0.0000000 0.5000000 0.1093750), wk = 0.0026525 k( 320) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026525 k( 321) = ( 0.0000000 0.5000000 0.1406250), wk = 0.0026525 k( 322) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0026525 k( 323) = ( 0.0000000 0.5000000 0.1718750), wk = 0.0026525 k( 324) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0026525 k( 325) = ( 0.0000000 0.5000000 0.2031250), wk = 0.0026525 k( 326) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0026525 k( 327) = ( 0.0000000 0.5000000 0.2343750), wk = 0.0026525 k( 328) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026525 k( 329) = ( 0.0000000 0.5000000 0.2656250), wk = 0.0026525 k( 330) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0026525 k( 331) = ( 0.0000000 0.5000000 0.2968750), wk = 0.0026525 k( 332) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0026525 k( 333) = ( 0.0000000 0.5000000 0.3281250), wk = 0.0026525 k( 334) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0026525 k( 335) = ( 0.0000000 0.5000000 0.3593750), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.3906250), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.4218750), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.4531250), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.4843750), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 345) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 346) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0026525 k( 347) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0026525 k( 348) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0026525 k( 349) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0026525 k( 350) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0026525 k( 351) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0026525 k( 352) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0026525 k( 353) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026525 k( 354) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0026525 k( 355) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0026525 k( 356) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 Dense grid: 52271 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 23093 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 164, 48) NL pseudopotentials 0.12 Mb ( 82, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1452) G-vector shells 0.01 Mb ( 657) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 164, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.14 Mb ( 96, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PbO.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.5 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.7 secs Computing kpt #: 17 total cpu time spent up to now is 7.0 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.7 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.5 secs Computing kpt #: 29 total cpu time spent up to now is 10.8 secs Computing kpt #: 30 total cpu time spent up to now is 11.1 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.7 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.3 secs Computing kpt #: 35 total cpu time spent up to now is 12.6 secs Computing kpt #: 36 total cpu time spent up to now is 12.9 secs Computing kpt #: 37 total cpu time spent up to now is 13.1 secs Computing kpt #: 38 total cpu time spent up to now is 13.4 secs Computing kpt #: 39 total cpu time spent up to now is 13.7 secs Computing kpt #: 40 total cpu time spent up to now is 14.0 secs Computing kpt #: 41 total cpu time spent up to now is 14.3 secs Computing kpt #: 42 total cpu time spent up to now is 14.5 secs Computing kpt #: 43 total cpu time spent up to now is 14.8 secs Computing kpt #: 44 total cpu time spent up to now is 15.1 secs Computing kpt #: 45 total cpu time spent up to now is 15.4 secs Computing kpt #: 46 total cpu time spent up to now is 15.7 secs Computing kpt #: 47 total cpu time spent up to now is 16.0 secs Computing kpt #: 48 total cpu time spent up to now is 16.3 secs Computing kpt #: 49 total cpu time spent up to now is 16.6 secs Computing kpt #: 50 total cpu time spent up to now is 16.9 secs Computing kpt #: 51 total cpu time spent up to now is 17.2 secs Computing kpt #: 52 total cpu time spent up to now is 17.5 secs Computing kpt #: 53 total cpu time spent up to now is 17.8 secs Computing kpt #: 54 total cpu time spent up to now is 18.1 secs Computing kpt #: 55 total cpu time spent up to now is 18.4 secs Computing kpt #: 56 total cpu time spent up to now is 18.7 secs Computing kpt #: 57 total cpu time spent up to now is 19.0 secs Computing kpt #: 58 total cpu time spent up to now is 19.3 secs Computing kpt #: 59 total cpu time spent up to now is 19.6 secs Computing kpt #: 60 total cpu time spent up to now is 19.9 secs Computing kpt #: 61 total cpu time spent up to now is 20.2 secs Computing kpt #: 62 total cpu time spent up to now is 20.5 secs Computing kpt #: 63 total cpu time spent up to now is 20.7 secs Computing kpt #: 64 total cpu time spent up to now is 21.0 secs Computing kpt #: 65 total cpu time spent up to now is 21.3 secs Computing kpt #: 66 total cpu time spent up to now is 21.6 secs Computing kpt #: 67 total cpu time spent up to now is 21.9 secs Computing kpt #: 68 total cpu time spent up to now is 22.2 secs Computing kpt #: 69 total cpu time spent up to now is 22.5 secs Computing kpt #: 70 total cpu time spent up to now is 22.8 secs Computing kpt #: 71 total cpu time spent up to now is 23.1 secs Computing kpt #: 72 total cpu time spent up to now is 23.4 secs Computing kpt #: 73 total cpu time spent up to now is 23.6 secs Computing kpt #: 74 total cpu time spent up to now is 23.9 secs Computing kpt #: 75 total cpu time spent up to now is 24.2 secs Computing kpt #: 76 total cpu time spent up to now is 24.5 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.1 secs Computing kpt #: 79 total cpu time spent up to now is 25.4 secs Computing kpt #: 80 total cpu time spent up to now is 25.6 secs Computing kpt #: 81 total cpu time spent up to now is 25.9 secs Computing kpt #: 82 total cpu time spent up to now is 26.2 secs Computing kpt #: 83 total cpu time spent up to now is 26.5 secs Computing kpt #: 84 total cpu time spent up to now is 26.7 secs Computing kpt #: 85 total cpu time spent up to now is 27.0 secs Computing kpt #: 86 total cpu time spent up to now is 27.3 secs Computing kpt #: 87 total cpu time spent up to now is 27.6 secs Computing kpt #: 88 total cpu time spent up to now is 27.9 secs Computing kpt #: 89 total cpu time spent up to now is 28.2 secs Computing kpt #: 90 total cpu time spent up to now is 28.5 secs Computing kpt #: 91 total cpu time spent up to now is 28.7 secs Computing kpt #: 92 total cpu time spent up to now is 29.0 secs Computing kpt #: 93 total cpu time spent up to now is 29.3 secs Computing kpt #: 94 total cpu time spent up to now is 29.6 secs Computing kpt #: 95 total cpu time spent up to now is 29.9 secs Computing kpt #: 96 total cpu time spent up to now is 30.2 secs Computing kpt #: 97 total cpu time spent up to now is 30.5 secs Computing kpt #: 98 total cpu time spent up to now is 30.8 secs Computing kpt #: 99 total cpu time spent up to now is 31.0 secs Computing kpt #: 100 total cpu time spent up to now is 31.3 secs Computing kpt #: 101 total cpu time spent up to now is 31.6 secs Computing kpt #: 102 total cpu time spent up to now is 31.9 secs Computing kpt #: 103 total cpu time spent up to now is 32.2 secs Computing kpt #: 104 total cpu time spent up to now is 32.5 secs Computing kpt #: 105 total cpu time spent up to now is 32.8 secs Computing kpt #: 106 total cpu time spent up to now is 33.1 secs Computing kpt #: 107 total cpu time spent up to now is 33.3 secs Computing kpt #: 108 total cpu time spent up to now is 33.6 secs Computing kpt #: 109 total cpu time spent up to now is 33.9 secs Computing kpt #: 110 total cpu time spent up to now is 34.2 secs Computing kpt #: 111 total cpu time spent up to now is 34.5 secs Computing kpt #: 112 total cpu time spent up to now is 34.8 secs Computing kpt #: 113 total cpu time spent up to now is 35.0 secs Computing kpt #: 114 total cpu time spent up to now is 35.3 secs Computing kpt #: 115 total cpu time spent up to now is 35.7 secs Computing kpt #: 116 total cpu time spent up to now is 36.1 secs Computing kpt #: 117 total cpu time spent up to now is 36.5 secs Computing kpt #: 118 total cpu time spent up to now is 36.8 secs Computing kpt #: 119 total cpu time spent up to now is 37.2 secs Computing kpt #: 120 total cpu time spent up to now is 37.5 secs Computing kpt #: 121 total cpu time spent up to now is 37.8 secs Computing kpt #: 122 total cpu time spent up to now is 38.1 secs Computing kpt #: 123 total cpu time spent up to now is 38.4 secs Computing kpt #: 124 total cpu time spent up to now is 38.7 secs Computing kpt #: 125 total cpu time spent up to now is 39.0 secs Computing kpt #: 126 total cpu time spent up to now is 39.3 secs Computing kpt #: 127 total cpu time spent up to now is 39.6 secs Computing kpt #: 128 total cpu time spent up to now is 39.9 secs Computing kpt #: 129 total cpu time spent up to now is 40.2 secs Computing kpt #: 130 total cpu time spent up to now is 40.5 secs Computing kpt #: 131 total cpu time spent up to now is 40.8 secs Computing kpt #: 132 total cpu time spent up to now is 41.1 secs Computing kpt #: 133 total cpu time spent up to now is 41.4 secs Computing kpt #: 134 total cpu time spent up to now is 41.7 secs Computing kpt #: 135 total cpu time spent up to now is 42.1 secs Computing kpt #: 136 total cpu time spent up to now is 42.4 secs Computing kpt #: 137 total cpu time spent up to now is 42.7 secs Computing kpt #: 138 total cpu time spent up to now is 43.0 secs Computing kpt #: 139 total cpu time spent up to now is 43.3 secs Computing kpt #: 140 total cpu time spent up to now is 43.6 secs Computing kpt #: 141 total cpu time spent up to now is 43.9 secs Computing kpt #: 142 total cpu time spent up to now is 44.1 secs Computing kpt #: 143 total cpu time spent up to now is 44.4 secs Computing kpt #: 144 total cpu time spent up to now is 44.7 secs Computing kpt #: 145 total cpu time spent up to now is 45.0 secs Computing kpt #: 146 total cpu time spent up to now is 45.3 secs Computing kpt #: 147 total cpu time spent up to now is 45.6 secs Computing kpt #: 148 total cpu time spent up to now is 45.8 secs Computing kpt #: 149 total cpu time spent up to now is 46.1 secs Computing kpt #: 150 total cpu time spent up to now is 46.4 secs Computing kpt #: 151 total cpu time spent up to now is 46.6 secs Computing kpt #: 152 total cpu time spent up to now is 46.9 secs Computing kpt #: 153 total cpu time spent up to now is 47.2 secs Computing kpt #: 154 total cpu time spent up to now is 47.4 secs Computing kpt #: 155 total cpu time spent up to now is 47.7 secs Computing kpt #: 156 total cpu time spent up to now is 47.9 secs Computing kpt #: 157 total cpu time spent up to now is 48.2 secs Computing kpt #: 158 total cpu time spent up to now is 48.5 secs Computing kpt #: 159 total cpu time spent up to now is 48.7 secs Computing kpt #: 160 total cpu time spent up to now is 49.0 secs Computing kpt #: 161 total cpu time spent up to now is 49.2 secs Computing kpt #: 162 total cpu time spent up to now is 49.5 secs Computing kpt #: 163 total cpu time spent up to now is 49.8 secs Computing kpt #: 164 total cpu time spent up to now is 50.0 secs Computing kpt #: 165 total cpu time spent up to now is 50.3 secs Computing kpt #: 166 total cpu time spent up to now is 50.5 secs Computing kpt #: 167 total cpu time spent up to now is 50.8 secs Computing kpt #: 168 total cpu time spent up to now is 51.1 secs Computing kpt #: 169 total cpu time spent up to now is 51.3 secs Computing kpt #: 170 total cpu time spent up to now is 51.6 secs Computing kpt #: 171 total cpu time spent up to now is 51.8 secs Computing kpt #: 172 total cpu time spent up to now is 52.1 secs Computing kpt #: 173 total cpu time spent up to now is 52.3 secs Computing kpt #: 174 total cpu time spent up to now is 52.6 secs Computing kpt #: 175 total cpu time spent up to now is 52.9 secs Computing kpt #: 176 total cpu time spent up to now is 53.1 secs Computing kpt #: 177 total cpu time spent up to now is 53.4 secs Computing kpt #: 178 total cpu time spent up to now is 53.7 secs Computing kpt #: 179 total cpu time spent up to now is 53.9 secs Computing kpt #: 180 total cpu time spent up to now is 54.2 secs Computing kpt #: 181 total cpu time spent up to now is 54.5 secs Computing kpt #: 182 total cpu time spent up to now is 54.7 secs Computing kpt #: 183 total cpu time spent up to now is 55.0 secs Computing kpt #: 184 total cpu time spent up to now is 55.3 secs Computing kpt #: 185 total cpu time spent up to now is 55.5 secs Computing kpt #: 186 total cpu time spent up to now is 55.8 secs Computing kpt #: 187 total cpu time spent up to now is 56.1 secs Computing kpt #: 188 total cpu time spent up to now is 56.4 secs Computing kpt #: 189 total cpu time spent up to now is 56.6 secs Computing kpt #: 190 total cpu time spent up to now is 56.9 secs Computing kpt #: 191 total cpu time spent up to now is 57.2 secs Computing kpt #: 192 total cpu time spent up to now is 57.5 secs Computing kpt #: 193 total cpu time spent up to now is 57.7 secs Computing kpt #: 194 total cpu time spent up to now is 58.0 secs Computing kpt #: 195 total cpu time spent up to now is 58.3 secs Computing kpt #: 196 total cpu time spent up to now is 58.5 secs Computing kpt #: 197 total cpu time spent up to now is 58.8 secs Computing kpt #: 198 total cpu time spent up to now is 59.1 secs Computing kpt #: 199 total cpu time spent up to now is 59.3 secs Computing kpt #: 200 total cpu time spent up to now is 59.6 secs Computing kpt #: 201 total cpu time spent up to now is 59.9 secs Computing kpt #: 202 total cpu time spent up to now is 60.1 secs Computing kpt #: 203 total cpu time spent up to now is 60.4 secs Computing kpt #: 204 total cpu time spent up to now is 60.7 secs Computing kpt #: 205 total cpu time spent up to now is 61.0 secs Computing kpt #: 206 total cpu time spent up to now is 61.3 secs Computing kpt #: 207 total cpu time spent up to now is 61.5 secs Computing kpt #: 208 total cpu time spent up to now is 61.8 secs Computing kpt #: 209 total cpu time spent up to now is 62.1 secs Computing kpt #: 210 total cpu time spent up to now is 62.4 secs Computing kpt #: 211 total cpu time spent up to now is 62.7 secs Computing kpt #: 212 total cpu time spent up to now is 62.9 secs Computing kpt #: 213 total cpu time spent up to now is 63.2 secs Computing kpt #: 214 total cpu time spent up to now is 63.5 secs Computing kpt #: 215 total cpu time spent up to now is 63.8 secs Computing kpt #: 216 total cpu time spent up to now is 64.1 secs Computing kpt #: 217 total cpu time spent up to now is 64.4 secs Computing kpt #: 218 total cpu time spent up to now is 64.7 secs Computing kpt #: 219 total cpu time spent up to now is 64.9 secs Computing kpt #: 220 total cpu time spent up to now is 65.2 secs Computing kpt #: 221 total cpu time spent up to now is 65.5 secs Computing kpt #: 222 total cpu time spent up to now is 65.8 secs Computing kpt #: 223 total cpu time spent up to now is 66.1 secs Computing kpt #: 224 total cpu time spent up to now is 66.4 secs Computing kpt #: 225 total cpu time spent up to now is 66.7 secs Computing kpt #: 226 total cpu time spent up to now is 67.0 secs Computing kpt #: 227 total cpu time spent up to now is 67.3 secs Computing kpt #: 228 total cpu time spent up to now is 67.5 secs Computing kpt #: 229 total cpu time spent up to now is 67.8 secs Computing kpt #: 230 total cpu time spent up to now is 68.1 secs Computing kpt #: 231 total cpu time spent up to now is 68.4 secs Computing kpt #: 232 total cpu time spent up to now is 68.7 secs Computing kpt #: 233 total cpu time spent up to now is 68.9 secs Computing kpt #: 234 total cpu time spent up to now is 69.2 secs Computing kpt #: 235 total cpu time spent up to now is 69.5 secs Computing kpt #: 236 total cpu time spent up to now is 69.8 secs Computing kpt #: 237 total cpu time spent up to now is 70.1 secs Computing kpt #: 238 total cpu time spent up to now is 70.4 secs Computing kpt #: 239 total cpu time spent up to now is 70.7 secs Computing kpt #: 240 total cpu time spent up to now is 71.0 secs Computing kpt #: 241 total cpu time spent up to now is 71.2 secs Computing kpt #: 242 total cpu time spent up to now is 71.5 secs Computing kpt #: 243 total cpu time spent up to now is 71.8 secs Computing kpt #: 244 total cpu time spent up to now is 72.1 secs Computing kpt #: 245 total cpu time spent up to now is 72.4 secs Computing kpt #: 246 total cpu time spent up to now is 72.7 secs Computing kpt #: 247 total cpu time spent up to now is 73.0 secs Computing kpt #: 248 total cpu time spent up to now is 73.3 secs Computing kpt #: 249 total cpu time spent up to now is 73.6 secs Computing kpt #: 250 total cpu time spent up to now is 73.8 secs Computing kpt #: 251 total cpu time spent up to now is 74.1 secs Computing kpt #: 252 total cpu time spent up to now is 74.4 secs Computing kpt #: 253 total cpu time spent up to now is 74.7 secs Computing kpt #: 254 total cpu time spent up to now is 75.0 secs Computing kpt #: 255 total cpu time spent up to now is 75.5 secs Computing kpt #: 256 total cpu time spent up to now is 75.8 secs Computing kpt #: 257 total cpu time spent up to now is 76.0 secs Computing kpt #: 258 total cpu time spent up to now is 76.3 secs Computing kpt #: 259 total cpu time spent up to now is 76.6 secs Computing kpt #: 260 total cpu time spent up to now is 76.9 secs Computing kpt #: 261 total cpu time spent up to now is 77.2 secs Computing kpt #: 262 total cpu time spent up to now is 77.5 secs Computing kpt #: 263 total cpu time spent up to now is 77.7 secs Computing kpt #: 264 total cpu time spent up to now is 78.0 secs Computing kpt #: 265 total cpu time spent up to now is 78.3 secs Computing kpt #: 266 total cpu time spent up to now is 78.6 secs Computing kpt #: 267 total cpu time spent up to now is 78.9 secs Computing kpt #: 268 total cpu time spent up to now is 79.2 secs Computing kpt #: 269 total cpu time spent up to now is 79.5 secs Computing kpt #: 270 total cpu time spent up to now is 79.8 secs Computing kpt #: 271 total cpu time spent up to now is 80.2 secs Computing kpt #: 272 total cpu time spent up to now is 80.5 secs Computing kpt #: 273 total cpu time spent up to now is 80.8 secs Computing kpt #: 274 total cpu time spent up to now is 81.1 secs Computing kpt #: 275 total cpu time spent up to now is 81.4 secs Computing kpt #: 276 total cpu time spent up to now is 81.7 secs Computing kpt #: 277 total cpu time spent up to now is 82.0 secs Computing kpt #: 278 total cpu time spent up to now is 82.3 secs Computing kpt #: 279 total cpu time spent up to now is 82.6 secs Computing kpt #: 280 total cpu time spent up to now is 82.8 secs Computing kpt #: 281 total cpu time spent up to now is 83.1 secs Computing kpt #: 282 total cpu time spent up to now is 83.4 secs Computing kpt #: 283 total cpu time spent up to now is 83.7 secs Computing kpt #: 284 total cpu time spent up to now is 84.0 secs Computing kpt #: 285 total cpu time spent up to now is 84.3 secs Computing kpt #: 286 total cpu time spent up to now is 84.5 secs Computing kpt #: 287 total cpu time spent up to now is 84.8 secs Computing kpt #: 288 total cpu time spent up to now is 85.1 secs Computing kpt #: 289 total cpu time spent up to now is 85.4 secs Computing kpt #: 290 total cpu time spent up to now is 85.6 secs Computing kpt #: 291 total cpu time spent up to now is 85.9 secs Computing kpt #: 292 total cpu time spent up to now is 86.2 secs Computing kpt #: 293 total cpu time spent up to now is 86.5 secs Computing kpt #: 294 total cpu time spent up to now is 86.7 secs Computing kpt #: 295 total cpu time spent up to now is 87.0 secs Computing kpt #: 296 total cpu time spent up to now is 87.2 secs Computing kpt #: 297 total cpu time spent up to now is 87.5 secs Computing kpt #: 298 total cpu time spent up to now is 87.8 secs Computing kpt #: 299 total cpu time spent up to now is 88.0 secs Computing kpt #: 300 total cpu time spent up to now is 88.3 secs Computing kpt #: 301 total cpu time spent up to now is 88.6 secs Computing kpt #: 302 total cpu time spent up to now is 88.8 secs Computing kpt #: 303 total cpu time spent up to now is 89.1 secs Computing kpt #: 304 total cpu time spent up to now is 89.4 secs Computing kpt #: 305 total cpu time spent up to now is 89.6 secs Computing kpt #: 306 total cpu time spent up to now is 89.9 secs Computing kpt #: 307 total cpu time spent up to now is 90.2 secs Computing kpt #: 308 total cpu time spent up to now is 90.4 secs Computing kpt #: 309 total cpu time spent up to now is 90.7 secs Computing kpt #: 310 total cpu time spent up to now is 91.0 secs Computing kpt #: 311 total cpu time spent up to now is 91.2 secs Computing kpt #: 312 total cpu time spent up to now is 91.5 secs Computing kpt #: 313 total cpu time spent up to now is 91.8 secs Computing kpt #: 314 total cpu time spent up to now is 92.1 secs Computing kpt #: 315 total cpu time spent up to now is 92.3 secs Computing kpt #: 316 total cpu time spent up to now is 92.6 secs Computing kpt #: 317 total cpu time spent up to now is 92.9 secs Computing kpt #: 318 total cpu time spent up to now is 93.2 secs Computing kpt #: 319 total cpu time spent up to now is 93.5 secs Computing kpt #: 320 total cpu time spent up to now is 93.7 secs Computing kpt #: 321 total cpu time spent up to now is 94.0 secs Computing kpt #: 322 total cpu time spent up to now is 94.3 secs Computing kpt #: 323 total cpu time spent up to now is 94.6 secs Computing kpt #: 324 total cpu time spent up to now is 94.9 secs Computing kpt #: 325 total cpu time spent up to now is 95.2 secs Computing kpt #: 326 total cpu time spent up to now is 95.4 secs Computing kpt #: 327 total cpu time spent up to now is 95.7 secs Computing kpt #: 328 total cpu time spent up to now is 96.0 secs Computing kpt #: 329 total cpu time spent up to now is 96.3 secs Computing kpt #: 330 total cpu time spent up to now is 96.6 secs Computing kpt #: 331 total cpu time spent up to now is 96.8 secs Computing kpt #: 332 total cpu time spent up to now is 97.1 secs Computing kpt #: 333 total cpu time spent up to now is 97.4 secs Computing kpt #: 334 total cpu time spent up to now is 97.7 secs Computing kpt #: 335 total cpu time spent up to now is 98.0 secs Computing kpt #: 336 total cpu time spent up to now is 98.3 secs Computing kpt #: 337 total cpu time spent up to now is 98.5 secs Computing kpt #: 338 total cpu time spent up to now is 98.8 secs Computing kpt #: 339 total cpu time spent up to now is 99.1 secs Computing kpt #: 340 total cpu time spent up to now is 99.4 secs Computing kpt #: 341 total cpu time spent up to now is 99.7 secs Computing kpt #: 342 total cpu time spent up to now is 100.0 secs Computing kpt #: 343 total cpu time spent up to now is 100.2 secs Computing kpt #: 344 total cpu time spent up to now is 100.5 secs Computing kpt #: 345 total cpu time spent up to now is 100.8 secs Computing kpt #: 346 total cpu time spent up to now is 101.1 secs Computing kpt #: 347 total cpu time spent up to now is 101.3 secs Computing kpt #: 348 total cpu time spent up to now is 101.6 secs Computing kpt #: 349 total cpu time spent up to now is 101.9 secs Computing kpt #: 350 total cpu time spent up to now is 102.2 secs Computing kpt #: 351 total cpu time spent up to now is 102.5 secs Computing kpt #: 352 total cpu time spent up to now is 102.8 secs Computing kpt #: 353 total cpu time spent up to now is 103.1 secs Computing kpt #: 354 total cpu time spent up to now is 103.3 secs Computing kpt #: 355 total cpu time spent up to now is 103.6 secs Computing kpt #: 356 total cpu time spent up to now is 103.9 secs Computing kpt #: 357 total cpu time spent up to now is 104.2 secs Computing kpt #: 358 total cpu time spent up to now is 104.5 secs Computing kpt #: 359 total cpu time spent up to now is 104.8 secs Computing kpt #: 360 total cpu time spent up to now is 105.1 secs Computing kpt #: 361 total cpu time spent up to now is 105.4 secs Computing kpt #: 362 total cpu time spent up to now is 105.7 secs Computing kpt #: 363 total cpu time spent up to now is 106.0 secs Computing kpt #: 364 total cpu time spent up to now is 106.3 secs Computing kpt #: 365 total cpu time spent up to now is 106.6 secs Computing kpt #: 366 total cpu time spent up to now is 106.9 secs Computing kpt #: 367 total cpu time spent up to now is 107.2 secs Computing kpt #: 368 total cpu time spent up to now is 107.5 secs Computing kpt #: 369 total cpu time spent up to now is 107.8 secs Computing kpt #: 370 total cpu time spent up to now is 108.0 secs Computing kpt #: 371 total cpu time spent up to now is 108.3 secs Computing kpt #: 372 total cpu time spent up to now is 108.6 secs Computing kpt #: 373 total cpu time spent up to now is 108.9 secs Computing kpt #: 374 total cpu time spent up to now is 109.2 secs Computing kpt #: 375 total cpu time spent up to now is 109.4 secs Computing kpt #: 376 total cpu time spent up to now is 109.7 secs Computing kpt #: 377 total cpu time spent up to now is 110.0 secs ethr = 2.50E-08, avg # of iterations = 17.1 total cpu time spent up to now is 110.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -9.6931 -9.6931 -9.3354 -9.3354 -8.4303 -8.4303 -8.4301 -8.4301 -8.3738 -8.3738 -7.5168 -7.5168 -6.0113 -6.0113 -5.8799 -5.8799 -5.8721 -5.8721 -5.8583 -5.8583 -5.7344 -5.7344 -4.9386 -4.9386 1.7233 1.7233 2.2776 2.2776 4.2568 4.2568 4.6418 4.6418 6.9646 6.9646 7.0901 7.0901 7.1761 7.1761 8.8918 8.8918 11.1152 11.1152 13.2780 13.2780 14.1971 14.1971 15.0168 15.0168 k = 0.0000 0.0125-0.0000 ( 2875 PWs) bands (ev): -9.6928 -9.6928 -9.3354 -9.3354 -8.4303 -8.4303 -8.4301 -8.4301 -8.3736 -8.3736 -7.5170 -7.5170 -6.0112 -6.0112 -5.8801 -5.8801 -5.8718 -5.8718 -5.8582 -5.8582 -5.7343 -5.7343 -4.9389 -4.9389 1.7224 1.7224 2.2777 2.2777 4.2575 4.2575 4.6425 4.6425 6.9600 6.9600 7.0898 7.0898 7.1757 7.1757 8.8921 8.8921 11.1199 11.1199 13.2755 13.2755 14.1952 14.1952 15.0102 15.0102 k = 0.0000 0.0250-0.0000 ( 2865 PWs) bands (ev): -9.6921 -9.6921 -9.3353 -9.3353 -8.4304 -8.4304 -8.4299 -8.4299 -8.3727 -8.3727 -7.5174 -7.5174 -6.0108 -6.0108 -5.8803 -5.8803 -5.8711 -5.8711 -5.8582 -5.8582 -5.7342 -5.7342 -4.9397 -4.9397 1.7199 1.7199 2.2781 2.2781 4.2599 4.2599 4.6446 4.6446 6.9468 6.9468 7.0885 7.0885 7.1744 7.1744 8.8930 8.8930 11.1336 11.1336 13.2678 13.2678 14.1893 14.1893 14.9914 14.9914 k = 0.0000 0.0375-0.0000 ( 2867 PWs) bands (ev): -9.6908 -9.6908 -9.3353 -9.3353 -8.4306 -8.4306 -8.4297 -8.4297 -8.3714 -8.3714 -7.5182 -7.5182 -6.0103 -6.0103 -5.8807 -5.8807 -5.8701 -5.8701 -5.8581 -5.8581 -5.7339 -5.7339 -4.9410 -4.9410 1.7157 1.7157 2.2787 2.2787 4.2637 4.2637 4.6480 4.6480 6.9260 6.9260 7.0856 7.0856 7.1720 7.1720 8.8943 8.8943 11.1563 11.1563 13.2546 13.2546 14.1796 14.1796 14.9634 14.9634 k = 0.0000 0.0500-0.0000 ( 2871 PWs) bands (ev): -9.6891 -9.6891 -9.3351 -9.3351 -8.4309 -8.4309 -8.4294 -8.4294 -8.3695 -8.3695 -7.5193 -7.5193 -6.0095 -6.0095 -5.8811 -5.8811 -5.8688 -5.8688 -5.8579 -5.8579 -5.7335 -5.7335 -4.9429 -4.9429 1.7099 1.7099 2.2795 2.2795 4.2692 4.2692 4.6529 4.6529 6.8989 6.8989 7.0804 7.0804 7.1682 7.1682 8.8960 8.8960 11.1876 11.1876 13.2356 13.2356 14.1663 14.1663 14.9299 14.9299 k = 0.0000 0.0625-0.0000 ( 2873 PWs) bands (ev): -9.6869 -9.6869 -9.3350 -9.3350 -8.4312 -8.4312 -8.4289 -8.4289 -8.3671 -8.3671 -7.5207 -7.5207 -6.0086 -6.0086 -5.8814 -5.8814 -5.8674 -5.8674 -5.8576 -5.8576 -5.7330 -5.7330 -4.9454 -4.9454 1.7026 1.7026 2.2804 2.2804 4.2761 4.2761 4.6592 4.6592 6.8665 6.8665 7.0727 7.0727 7.1628 7.1628 8.8978 8.8978 11.2268 11.2268 13.2102 13.2102 14.1496 14.1496 14.8949 14.8949 k = 0.0000 0.0750-0.0000 ( 2883 PWs) bands (ev): -9.6842 -9.6842 -9.3349 -9.3349 -8.4314 -8.4314 -8.4284 -8.4284 -8.3642 -8.3642 -7.5224 -7.5224 -6.0074 -6.0074 -5.8816 -5.8816 -5.8659 -5.8659 -5.8572 -5.8572 -5.7324 -5.7324 -4.9485 -4.9485 1.6939 1.6939 2.2814 2.2814 4.2846 4.2846 4.6669 4.6669 6.8298 6.8298 7.0623 7.0623 7.1554 7.1554 8.8994 8.8994 11.2734 11.2734 13.1781 13.1781 14.1302 14.1302 14.8615 14.8615 k = 0.0000 0.0875-0.0000 ( 2887 PWs) bands (ev): -9.6811 -9.6811 -9.3348 -9.3348 -8.4317 -8.4317 -8.4278 -8.4278 -8.3608 -8.3608 -7.5245 -7.5245 -6.0060 -6.0060 -5.8817 -5.8817 -5.8645 -5.8645 -5.8566 -5.8566 -5.7316 -5.7316 -4.9521 -4.9521 1.6839 1.6839 2.2822 2.2822 4.2947 4.2947 4.6762 4.6762 6.7896 6.7896 7.0494 7.0494 7.1460 7.1460 8.9005 8.9005 11.3266 11.3266 13.1390 13.1390 14.1090 14.1090 14.8319 14.8319 k = 0.0000 0.1000-0.0000 ( 2883 PWs) bands (ev): -9.6775 -9.6775 -9.3347 -9.3347 -8.4318 -8.4318 -8.4271 -8.4271 -8.3570 -8.3570 -7.5270 -7.5270 -6.0044 -6.0044 -5.8818 -5.8818 -5.8630 -5.8630 -5.8557 -5.8557 -5.7306 -5.7306 -4.9563 -4.9563 1.6726 1.6726 2.2829 2.2829 4.3063 4.3063 4.6870 4.6870 6.7468 6.7468 7.0340 7.0340 7.1344 7.1344 8.9008 8.9008 11.3856 11.3856 13.0930 13.0930 14.0871 14.0871 14.8073 14.8073 k = 0.0000 0.1125-0.0000 ( 2887 PWs) bands (ev): -9.6735 -9.6735 -9.3347 -9.3347 -8.4319 -8.4319 -8.4263 -8.4263 -8.3526 -8.3526 -7.5298 -7.5298 -6.0026 -6.0026 -5.8817 -5.8817 -5.8617 -5.8617 -5.8545 -5.8545 -5.7295 -5.7295 -4.9611 -4.9611 1.6604 1.6604 2.2832 2.2832 4.3195 4.3195 4.6993 4.6993 6.7020 6.7020 7.0162 7.0162 7.1206 7.1206 8.8999 8.8999 11.4495 11.4495 13.0406 13.0406 14.0653 14.0653 14.7883 14.7883 k = 0.0000 0.1250-0.0000 ( 2885 PWs) bands (ev): -9.6692 -9.6692 -9.3347 -9.3347 -8.4320 -8.4320 -8.4253 -8.4253 -8.3477 -8.3477 -7.5331 -7.5331 -6.0006 -6.0006 -5.8816 -5.8816 -5.8604 -5.8604 -5.8531 -5.8531 -5.7283 -5.7283 -4.9666 -4.9666 1.6472 1.6472 2.2831 2.2831 4.3342 4.3342 4.7133 4.7133 6.6559 6.6559 6.9961 6.9961 7.1046 7.1046 8.8972 8.8972 11.5173 11.5173 12.9829 12.9829 14.0445 14.0445 14.7746 14.7746 k = 0.0000 0.1375-0.0000 ( 2887 PWs) bands (ev): -9.6644 -9.6644 -9.3349 -9.3349 -8.4319 -8.4319 -8.4243 -8.4243 -8.3423 -8.3423 -7.5368 -7.5368 -5.9984 -5.9984 -5.8815 -5.8815 -5.8591 -5.8591 -5.8514 -5.8514 -5.7268 -5.7268 -4.9727 -4.9727 1.6334 1.6334 2.2823 2.2823 4.3505 4.3505 4.7288 4.7288 6.6091 6.6091 6.9739 6.9739 7.0864 7.0864 8.8924 8.8924 11.5880 11.5880 12.9210 12.9210 14.0249 14.0249 14.7658 14.7658 k = 0.0000 0.1500-0.0000 ( 2887 PWs) bands (ev): -9.6593 -9.6593 -9.3353 -9.3353 -8.4317 -8.4317 -8.4232 -8.4232 -8.3363 -8.3363 -7.5409 -7.5409 -5.9961 -5.9961 -5.8815 -5.8815 -5.8577 -5.8577 -5.8494 -5.8494 -5.7250 -5.7250 -4.9795 -4.9795 1.6190 1.6190 2.2807 2.2807 4.3683 4.3683 4.7460 4.7460 6.5623 6.5623 6.9496 6.9496 7.0661 7.0661 8.8849 8.8849 11.6603 11.6603 12.8568 12.8568 14.0069 14.0069 14.7615 14.7615 k = 0.0000 0.1625-0.0000 ( 2885 PWs) bands (ev): -9.6538 -9.6538 -9.3357 -9.3357 -8.4315 -8.4315 -8.4220 -8.4220 -8.3297 -8.3297 -7.5455 -7.5455 -5.9936 -5.9936 -5.8815 -5.8815 -5.8562 -5.8562 -5.8474 -5.8474 -5.7230 -5.7230 -4.9869 -4.9869 1.6043 1.6043 2.2782 2.2782 4.3877 4.3877 4.7649 4.7649 6.5161 6.5161 6.9233 6.9233 7.0439 7.0439 8.8743 8.8743 11.7330 11.7330 12.7919 12.7919 13.9905 13.9905 14.7610 14.7610 k = 0.0000 0.1750-0.0000 ( 2887 PWs) bands (ev): -9.6480 -9.6480 -9.3364 -9.3364 -8.4312 -8.4312 -8.4208 -8.4208 -8.3224 -8.3224 -7.5506 -7.5506 -5.9909 -5.9909 -5.8815 -5.8815 -5.8544 -5.8544 -5.8453 -5.8453 -5.7207 -5.7207 -4.9950 -4.9950 1.5894 1.5894 2.2746 2.2746 4.4086 4.4086 4.7854 4.7854 6.4709 6.4709 6.8952 6.8952 7.0199 7.0199 8.8600 8.8600 11.8046 11.8046 12.7283 12.7283 13.9757 13.9757 14.7640 14.7640 k = 0.0000 0.1875-0.0000 ( 2882 PWs) bands (ev): -9.6420 -9.6420 -9.3373 -9.3373 -8.4308 -8.4308 -8.4195 -8.4195 -8.3144 -8.3144 -7.5562 -7.5562 -5.9881 -5.9881 -5.8817 -5.8817 -5.8523 -5.8523 -5.8430 -5.8430 -5.7181 -5.7181 -5.0038 -5.0038 1.5746 1.5746 2.2696 2.2696 4.4311 4.4311 4.8076 4.8076 6.4273 6.4273 6.8654 6.8654 6.9941 6.9941 8.8417 8.8417 11.8733 11.8733 12.6680 12.6680 13.9626 13.9626 14.7702 14.7702 k = 0.0000 0.2000-0.0000 ( 2878 PWs) bands (ev): -9.6356 -9.6356 -9.3385 -9.3385 -8.4303 -8.4303 -8.4183 -8.4183 -8.3057 -8.3057 -7.5623 -7.5623 -5.9853 -5.9853 -5.8820 -5.8820 -5.8501 -5.8501 -5.8407 -5.8407 -5.7150 -5.7150 -5.0134 -5.0134 1.5601 1.5601 2.2632 2.2632 4.4552 4.4552 4.8315 4.8315 6.3856 6.3856 6.8339 6.8339 6.9669 6.9669 8.8189 8.8189 11.9370 11.9370 12.6132 12.6132 13.9516 13.9516 14.7792 14.7792 k = 0.0000 0.2125-0.0000 ( 2882 PWs) bands (ev): -9.6291 -9.6291 -9.3398 -9.3398 -8.4298 -8.4298 -8.4170 -8.4170 -8.2962 -8.2962 -7.5690 -7.5690 -5.9823 -5.9823 -5.8825 -5.8825 -5.8476 -5.8476 -5.8384 -5.8384 -5.7115 -5.7115 -5.0236 -5.0236 1.5460 1.5460 2.2551 2.2551 4.4809 4.4809 4.8570 4.8570 6.3462 6.3462 6.8010 6.8010 6.9384 6.9384 8.7913 8.7913 11.9931 11.9931 12.5665 12.5665 13.9433 13.9433 14.7909 14.7909 k = 0.0000 0.2250-0.0000 ( 2878 PWs) bands (ev): -9.6223 -9.6223 -9.3415 -9.3415 -8.4292 -8.4292 -8.4157 -8.4157 -8.2859 -8.2859 -7.5763 -7.5763 -5.9793 -5.9793 -5.8830 -5.8830 -5.8450 -5.8450 -5.8360 -5.8360 -5.7075 -5.7075 -5.0346 -5.0346 1.5326 1.5326 2.2453 2.2453 4.5081 4.5081 4.8842 4.8842 6.3092 6.3092 6.7667 6.7667 6.9090 6.9090 8.7587 8.7587 12.0385 12.0385 12.5302 12.5302 13.9386 13.9386 14.8050 14.8050 k = 0.0000 0.2375-0.0000 ( 2876 PWs) bands (ev): -9.6153 -9.6153 -9.3435 -9.3435 -8.4285 -8.4285 -8.4145 -8.4145 -8.2747 -8.2747 -7.5841 -7.5841 -5.9762 -5.9762 -5.8837 -5.8837 -5.8423 -5.8423 -5.8335 -5.8335 -5.7028 -5.7028 -5.0463 -5.0463 1.5201 1.5201 2.2336 2.2336 4.5369 4.5369 4.9130 4.9130 6.2748 6.2748 6.7313 6.7313 6.8788 6.8788 8.7208 8.7208 12.0705 12.0705 12.5068 12.5068 13.9382 13.9382 14.8212 14.8212 k = 0.0000 0.2500-0.0000 ( 2876 PWs) bands (ev): -9.6081 -9.6081 -9.3458 -9.3458 -8.4279 -8.4279 -8.4134 -8.4134 -8.2627 -8.2627 -7.5926 -7.5926 -5.9731 -5.9731 -5.8845 -5.8845 -5.8396 -5.8396 -5.8309 -5.8309 -5.6976 -5.6976 -5.0587 -5.0587 1.5085 1.5085 2.2200 2.2200 4.5674 4.5674 4.9433 4.9433 6.2429 6.2429 6.6948 6.6948 6.8484 6.8484 8.6775 8.6775 12.0878 12.0878 12.4967 12.4967 13.9434 13.9434 14.8392 14.8392 k = 0.0000 0.2625-0.0000 ( 2880 PWs) bands (ev): -9.6007 -9.6007 -9.3484 -9.3484 -8.4271 -8.4271 -8.4123 -8.4123 -8.2499 -8.2499 -7.6017 -7.6017 -5.9700 -5.9700 -5.8854 -5.8854 -5.8370 -5.8370 -5.8282 -5.8282 -5.6916 -5.6916 -5.0719 -5.0719 1.4982 1.4982 2.2043 2.2043 4.5994 4.5994 4.9752 4.9752 6.2133 6.2133 6.6574 6.6574 6.8181 6.8181 8.6290 8.6290 12.0920 12.0920 12.4975 12.4975 13.9551 13.9551 14.8588 14.8588 k = 0.0000 0.2750-0.0000 ( 2880 PWs) bands (ev): -9.5933 -9.5933 -9.3513 -9.3513 -8.4264 -8.4264 -8.4114 -8.4114 -8.2362 -8.2362 -7.6115 -7.6115 -5.9668 -5.9668 -5.8864 -5.8864 -5.8345 -5.8345 -5.8254 -5.8254 -5.6847 -5.6847 -5.0858 -5.0858 1.4893 1.4893 2.1866 2.1866 4.6330 4.6330 5.0086 5.0086 6.1857 6.1857 6.6194 6.6194 6.7888 6.7888 8.5753 8.5753 12.0872 12.0872 12.5045 12.5045 13.9740 13.9740 14.8794 14.8794 k = 0.0000 0.2875-0.0000 ( 2876 PWs) bands (ev): -9.5857 -9.5857 -9.3545 -9.3545 -8.4256 -8.4256 -8.4105 -8.4105 -8.2216 -8.2216 -7.6219 -7.6219 -5.9637 -5.9637 -5.8875 -5.8875 -5.8322 -5.8322 -5.8227 -5.8227 -5.6771 -5.6771 -5.1003 -5.1003 1.4819 1.4819 2.1669 2.1669 4.6681 4.6681 5.0434 5.0434 6.1595 6.1595 6.5807 6.5807 6.7611 6.7611 8.5166 8.5166 12.0777 12.0777 12.5131 12.5131 14.0005 14.0005 14.9006 14.9006 k = 0.0000 0.3000-0.0000 ( 2878 PWs) bands (ev): -9.5780 -9.5780 -9.3581 -9.3581 -8.4248 -8.4248 -8.4098 -8.4098 -8.2063 -8.2063 -7.6330 -7.6330 -5.9607 -5.9607 -5.8887 -5.8887 -5.8300 -5.8300 -5.8200 -5.8200 -5.6685 -5.6685 -5.1155 -5.1155 1.4762 1.4762 2.1451 2.1451 4.7048 4.7048 5.0797 5.0797 6.1340 6.1340 6.5414 6.5414 6.7361 6.7361 8.4533 8.4533 12.0670 12.0670 12.5196 12.5196 14.0346 14.0346 14.9220 14.9220 k = 0.0000 0.3125-0.0000 ( 2870 PWs) bands (ev): -9.5702 -9.5702 -9.3620 -9.3620 -8.4239 -8.4239 -8.4091 -8.4091 -8.1901 -8.1901 -7.6447 -7.6447 -5.9576 -5.9576 -5.8900 -5.8900 -5.8279 -5.8279 -5.8175 -5.8175 -5.6589 -5.6589 -5.1314 -5.1314 1.4723 1.4723 2.1215 2.1215 4.7431 4.7431 5.1172 5.1172 6.1084 6.1084 6.5016 6.5016 6.7150 6.7150 8.3857 8.3857 12.0571 12.0571 12.5221 12.5221 14.0758 14.0758 14.9431 14.9431 k = 0.0000 0.3250-0.0000 ( 2870 PWs) bands (ev): -9.5624 -9.5624 -9.3662 -9.3662 -8.4231 -8.4231 -8.4086 -8.4086 -8.1733 -8.1733 -7.6572 -7.6572 -5.9546 -5.9546 -5.8913 -5.8913 -5.8260 -5.8260 -5.8151 -5.8151 -5.6485 -5.6485 -5.1479 -5.1479 1.4703 1.4703 2.0961 2.0961 4.7828 4.7828 5.1561 5.1561 6.0817 6.0817 6.4611 6.4611 6.6988 6.6988 8.3142 8.3142 12.0493 12.0493 12.5197 12.5197 14.1235 14.1235 14.9631 14.9631 k = 0.0000 0.3375-0.0000 ( 2870 PWs) bands (ev): -9.5545 -9.5545 -9.3708 -9.3708 -8.4222 -8.4222 -8.4082 -8.4082 -8.1557 -8.1557 -7.6703 -7.6703 -5.9516 -5.9516 -5.8927 -5.8927 -5.8242 -5.8242 -5.8129 -5.8129 -5.6370 -5.6370 -5.1650 -5.1650 1.4704 1.4704 2.0690 2.0690 4.8240 4.8240 5.1962 5.1962 6.0532 6.0532 6.4198 6.4198 6.6888 6.6888 8.2395 8.2395 12.0443 12.0443 12.5125 12.5125 14.1764 14.1764 14.9816 14.9816 k = 0.0000 0.3500-0.0000 ( 2870 PWs) bands (ev): -9.5465 -9.5465 -9.3756 -9.3756 -8.4213 -8.4213 -8.4078 -8.4078 -8.1376 -8.1376 -7.6840 -7.6840 -5.9487 -5.9487 -5.8942 -5.8942 -5.8224 -5.8224 -5.8111 -5.8111 -5.6246 -5.6246 -5.1827 -5.1827 1.4725 1.4725 2.0404 2.0404 4.8665 4.8665 5.2374 5.2374 6.0221 6.0221 6.3775 6.3775 6.6860 6.6860 8.1618 8.1618 12.0424 12.0424 12.5007 12.5007 14.2335 14.2335 14.9980 14.9980 k = 0.0000 0.3625-0.0000 ( 2876 PWs) bands (ev): -9.5385 -9.5385 -9.3807 -9.3807 -8.4204 -8.4204 -8.4076 -8.4076 -8.1188 -8.1188 -7.6985 -7.6985 -5.9458 -5.9458 -5.8958 -5.8958 -5.8207 -5.8207 -5.8095 -5.8095 -5.6112 -5.6112 -5.2008 -5.2008 1.4768 1.4768 2.0106 2.0106 4.9105 4.9105 5.2797 5.2797 5.9880 5.9880 6.3342 6.3342 6.6909 6.6909 8.0818 8.0818 12.0437 12.0437 12.4850 12.4850 14.2934 14.2934 15.0118 15.0118 k = 0.0000 0.3750-0.0000 ( 2876 PWs) bands (ev): -9.5305 -9.5305 -9.3861 -9.3861 -8.4195 -8.4195 -8.4076 -8.4076 -8.0996 -8.0996 -7.7136 -7.7136 -5.9430 -5.9430 -5.8974 -5.8974 -5.8191 -5.8191 -5.8081 -5.8081 -5.5970 -5.5970 -5.2194 -5.2194 1.4833 1.4833 1.9797 1.9797 4.9557 4.9557 5.3229 5.3229 5.9509 5.9509 6.2898 6.2898 6.7038 6.7038 8.0001 8.0001 12.0479 12.0479 12.4661 12.4661 14.3551 14.3551 15.0223 15.0223 k = 0.0000 0.3875-0.0000 ( 2876 PWs) bands (ev): -9.5226 -9.5226 -9.3918 -9.3918 -8.4186 -8.4186 -8.4076 -8.4076 -8.0799 -8.0799 -7.7293 -7.7293 -5.9402 -5.9402 -5.8991 -5.8991 -5.8176 -5.8176 -5.8070 -5.8070 -5.5820 -5.5820 -5.2385 -5.2385 1.4920 1.4920 1.9480 1.9480 5.0021 5.0021 5.3670 5.3670 5.9110 5.9110 6.2443 6.2443 6.7246 6.7246 7.9170 7.9170 12.0551 12.0551 12.4447 12.4447 14.4175 14.4175 15.0291 15.0291 k = 0.0000 0.4000-0.0000 ( 2878 PWs) bands (ev): -9.5146 -9.5146 -9.3978 -9.3978 -8.4177 -8.4177 -8.4077 -8.4077 -8.0599 -8.0599 -7.7457 -7.7457 -5.9374 -5.9374 -5.9009 -5.9009 -5.8161 -5.8161 -5.8062 -5.8062 -5.5661 -5.5661 -5.2578 -5.2578 1.5030 1.5030 1.9157 1.9157 5.0497 5.0497 5.4118 5.4118 5.8685 5.8685 6.1979 6.1979 6.7529 6.7529 7.8331 7.8331 12.0649 12.0649 12.4213 12.4213 14.4795 14.4795 15.0318 15.0318 k = 0.0000 0.4125-0.0000 ( 2878 PWs) bands (ev): -9.5066 -9.5066 -9.4039 -9.4039 -8.4169 -8.4169 -8.4078 -8.4078 -8.0395 -8.0395 -7.7626 -7.7626 -5.9348 -5.9348 -5.9027 -5.9027 -5.8147 -5.8147 -5.8057 -5.8057 -5.5495 -5.5495 -5.2775 -5.2775 1.5162 1.5162 1.8831 1.8831 5.0983 5.0983 5.4570 5.4570 5.8240 5.8240 6.1507 6.1507 6.7882 6.7882 7.7490 7.7490 12.0772 12.0772 12.3965 12.3965 14.5404 14.5404 15.0302 15.0302 k = 0.0000 0.4250-0.0000 ( 2878 PWs) bands (ev): -9.4987 -9.4987 -9.4103 -9.4103 -8.4160 -8.4160 -8.4081 -8.4081 -8.0190 -8.0190 -7.7801 -7.7801 -5.9321 -5.9321 -5.9046 -5.9046 -5.8134 -5.8134 -5.8053 -5.8053 -5.5323 -5.5323 -5.2974 -5.2974 1.5316 1.5316 1.8504 1.8504 5.1478 5.1478 5.5022 5.5022 5.7783 5.7783 6.1027 6.1027 6.8301 6.8301 7.6650 7.6650 12.0918 12.0918 12.3707 12.3707 14.5995 14.5995 15.0241 15.0241 k = 0.0000 0.4375-0.0000 ( 2882 PWs) bands (ev): -9.4908 -9.4908 -9.4169 -9.4169 -8.4151 -8.4151 -8.4085 -8.4085 -7.9983 -7.9983 -7.7982 -7.7982 -5.9295 -5.9295 -5.9065 -5.9065 -5.8121 -5.8121 -5.8052 -5.8052 -5.5145 -5.5145 -5.3176 -5.3176 1.5492 1.5492 1.8179 1.8179 5.1981 5.1981 5.5460 5.5460 5.7331 5.7331 6.0542 6.0542 6.8780 6.8780 7.5817 7.5817 12.1084 12.1084 12.3444 12.3444 14.6561 14.6561 15.0132 15.0132 k = 0.0000 0.4500-0.0000 ( 2884 PWs) bands (ev): -9.4830 -9.4830 -9.4237 -9.4237 -8.4143 -8.4143 -8.4089 -8.4089 -7.9775 -7.9775 -7.8167 -7.8167 -5.9270 -5.9270 -5.9086 -5.9086 -5.8109 -5.8109 -5.8052 -5.8052 -5.4961 -5.4961 -5.3378 -5.3378 1.5688 1.5688 1.7858 1.7858 5.2491 5.2491 5.5829 5.5829 5.6940 5.6940 6.0053 6.0053 6.9314 6.9314 7.4994 7.4994 12.1268 12.1268 12.3180 12.3180 14.7098 14.7098 14.9976 14.9976 k = 0.0000 0.4625-0.0000 ( 2880 PWs) bands (ev): -9.4752 -9.4752 -9.4306 -9.4306 -8.4135 -8.4135 -8.4094 -8.4094 -7.9568 -7.9568 -7.8358 -7.8358 -5.9245 -5.9245 -5.9107 -5.9107 -5.8098 -5.8098 -5.8055 -5.8055 -5.4773 -5.4773 -5.3581 -5.3581 1.5904 1.5904 1.7543 1.7543 5.3006 5.3006 5.5887 5.5887 5.6856 5.6856 5.9562 5.9562 6.9897 6.9897 7.4187 7.4187 12.1469 12.1469 12.2915 12.2915 14.7602 14.7602 14.9772 14.9772 k = 0.0000 0.4750-0.0000 ( 2872 PWs) bands (ev): -9.4675 -9.4675 -9.4377 -9.4377 -8.4127 -8.4127 -8.4099 -8.4099 -7.9361 -7.9361 -7.8552 -7.8552 -5.9220 -5.9220 -5.9128 -5.9128 -5.8088 -5.8088 -5.8059 -5.8059 -5.4580 -5.4580 -5.3783 -5.3783 1.6138 1.6138 1.7237 1.7237 5.3525 5.3525 5.5537 5.5537 5.7176 5.7176 5.9069 5.9069 7.0525 7.0525 7.3399 7.3399 12.1684 12.1684 12.2655 12.2655 14.8069 14.8069 14.9521 14.9521 k = 0.0000 0.4875-0.0000 ( 2872 PWs) bands (ev): -9.4599 -9.4599 -9.4450 -9.4450 -8.4119 -8.4119 -8.4106 -8.4106 -7.9155 -7.9155 -7.8750 -7.8750 -5.9196 -5.9196 -5.9150 -5.9150 -5.8079 -5.8079 -5.8064 -5.8064 -5.4385 -5.4385 -5.3986 -5.3986 1.6391 1.6391 1.6942 1.6942 5.4043 5.4043 5.5064 5.5064 5.7619 5.7619 5.8579 5.8579 7.1194 7.1194 7.2635 7.2635 12.1912 12.1912 12.2399 12.2399 14.8496 14.8496 14.9224 14.9224 k = 0.0000 0.5000-0.0000 ( 2872 PWs) bands (ev): -9.4524 -9.4524 -9.4524 -9.4524 -8.4112 -8.4112 -8.4112 -8.4112 -7.8951 -7.8951 -7.8951 -7.8951 -5.9173 -5.9173 -5.9173 -5.9173 -5.8071 -5.8071 -5.8071 -5.8071 -5.4186 -5.4186 -5.4186 -5.4186 1.6659 1.6659 1.6659 1.6659 5.4559 5.4559 5.4559 5.4559 5.8093 5.8093 5.8093 5.8093 7.1899 7.1899 7.1899 7.1899 12.2151 12.2151 12.2151 12.2151 14.8882 14.8882 14.8882 14.8882 k = 0.0000 0.5000-0.0000 ( 2872 PWs) bands (ev): -9.4524 -9.4524 -9.4524 -9.4524 -8.4112 -8.4112 -8.4112 -8.4112 -7.8951 -7.8951 -7.8951 -7.8951 -5.9173 -5.9173 -5.9173 -5.9173 -5.8071 -5.8071 -5.8071 -5.8071 -5.4186 -5.4186 -5.4186 -5.4186 1.6659 1.6659 1.6659 1.6659 5.4559 5.4559 5.4559 5.4559 5.8093 5.8093 5.8093 5.8093 7.1899 7.1899 7.1899 7.1899 12.2151 12.2151 12.2151 12.2151 14.8882 14.8882 14.8882 14.8882 k = 0.0125 0.5000-0.0000 ( 2868 PWs) bands (ev): -9.4572 -9.4572 -9.4475 -9.4475 -8.4121 -8.4121 -8.4102 -8.4102 -7.9046 -7.9046 -7.8854 -7.8854 -5.9189 -5.9189 -5.9155 -5.9155 -5.8075 -5.8075 -5.8066 -5.8066 -5.4219 -5.4219 -5.4153 -5.4153 1.6639 1.6639 1.6645 1.6645 5.4353 5.4353 5.4699 5.4699 5.8082 5.8082 5.8201 5.8201 7.1849 7.1849 7.1962 7.1962 12.2079 12.2079 12.2194 12.2194 14.8112 14.8112 14.9631 14.9631 k = 0.0250 0.5000-0.0000 ( 2876 PWs) bands (ev): -9.4618 -9.4618 -9.4425 -9.4425 -8.4129 -8.4129 -8.4091 -8.4091 -7.9138 -7.9138 -7.8754 -7.8754 -5.9204 -5.9204 -5.9135 -5.9135 -5.8078 -5.8078 -5.8060 -5.8060 -5.4250 -5.4250 -5.4118 -5.4118 1.6585 1.6585 1.6597 1.6597 5.4102 5.4102 5.4760 5.4760 5.8181 5.8181 5.8386 5.8386 7.1813 7.1813 7.2038 7.2038 12.1979 12.1979 12.2206 12.2206 14.7327 14.7327 15.0355 15.0355 k = 0.0375 0.5000-0.0000 ( 2882 PWs) bands (ev): -9.4662 -9.4662 -9.4376 -9.4376 -8.4135 -8.4135 -8.4079 -8.4079 -7.9226 -7.9226 -7.8653 -7.8653 -5.9215 -5.9215 -5.9115 -5.9115 -5.8080 -5.8080 -5.8053 -5.8053 -5.4280 -5.4280 -5.4082 -5.4082 1.6497 1.6497 1.6517 1.6517 5.3825 5.3825 5.4743 5.4743 5.8388 5.8388 5.8629 5.8629 7.1790 7.1790 7.2126 7.2126 12.1851 12.1851 12.2184 12.2184 14.6533 14.6533 15.1050 15.1050 k = 0.0500 0.5000-0.0000 ( 2876 PWs) bands (ev): -9.4705 -9.4705 -9.4325 -9.4325 -8.4140 -8.4140 -8.4066 -8.4066 -7.9310 -7.9310 -7.8550 -7.8550 -5.9224 -5.9224 -5.9093 -5.9093 -5.8081 -5.8081 -5.8044 -5.8044 -5.4308 -5.4308 -5.4045 -5.4045 1.6376 1.6376 1.6403 1.6403 5.3539 5.3539 5.4663 5.4663 5.8686 5.8686 5.8916 5.8916 7.1781 7.1781 7.2225 7.2225 12.1694 12.1694 12.2127 12.2127 14.5739 14.5739 15.1712 15.1712 k = 0.0625 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.4746 -9.4746 -9.4276 -9.4276 -8.4142 -8.4142 -8.4052 -8.4052 -7.9390 -7.9390 -7.8447 -7.8447 -5.9230 -5.9230 -5.9071 -5.9071 -5.8081 -5.8081 -5.8035 -5.8035 -5.4336 -5.4336 -5.4007 -5.4007 1.6223 1.6223 1.6258 1.6258 5.3254 5.3254 5.4541 5.4541 5.9054 5.9054 5.9234 5.9234 7.1786 7.1786 7.2335 7.2335 12.1507 12.1507 12.2028 12.2028 14.4953 14.4953 15.2335 15.2335 k = 0.0750 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.4784 -9.4784 -9.4227 -9.4227 -8.4142 -8.4142 -8.4039 -8.4039 -7.9465 -7.9465 -7.8344 -7.8344 -5.9233 -5.9233 -5.9049 -5.9049 -5.8081 -5.8081 -5.8024 -5.8024 -5.4362 -5.4362 -5.3969 -5.3969 1.6038 1.6038 1.6082 1.6082 5.2978 5.2978 5.4394 5.4394 5.9475 5.9475 5.9578 5.9578 7.1804 7.1804 7.2455 7.2455 12.1289 12.1289 12.1884 12.1884 14.4184 14.4184 15.2906 15.2906 k = 0.0875 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.4819 -9.4819 -9.4179 -9.4179 -8.4140 -8.4140 -8.4024 -8.4024 -7.9534 -7.9534 -7.8241 -7.8241 -5.9232 -5.9232 -5.9027 -5.9027 -5.8079 -5.8079 -5.8011 -5.8011 -5.4386 -5.4386 -5.3930 -5.3930 1.5822 1.5822 1.5877 1.5877 5.2717 5.2717 5.4234 5.4234 5.9935 5.9935 5.9942 5.9942 7.1835 7.1835 7.2583 7.2583 12.1037 12.1037 12.1690 12.1690 14.3443 14.3443 15.3397 15.3397 k = 0.1000 0.5000-0.0000 ( 2882 PWs) bands (ev): -9.4852 -9.4852 -9.4133 -9.4133 -8.4136 -8.4136 -8.4010 -8.4010 -7.9598 -7.9598 -7.8140 -7.8140 -5.9227 -5.9227 -5.9005 -5.9005 -5.8077 -5.8077 -5.7997 -5.7997 -5.4410 -5.4410 -5.3890 -5.3890 1.5577 1.5577 1.5643 1.5643 5.2473 5.2473 5.4072 5.4072 6.0323 6.0323 6.0423 6.0423 7.1878 7.1878 7.2718 7.2718 12.0750 12.0750 12.1439 12.1439 14.2740 14.2740 15.3737 15.3737 k = 0.1125 0.5000-0.0000 ( 2882 PWs) bands (ev): -9.4882 -9.4882 -9.4089 -9.4089 -8.4129 -8.4129 -8.3996 -8.3996 -7.9656 -7.9656 -7.8040 -7.8040 -5.9219 -5.9219 -5.8984 -5.8984 -5.8074 -5.8074 -5.7982 -5.7982 -5.4432 -5.4432 -5.3850 -5.3850 1.5305 1.5305 1.5383 1.5383 5.2250 5.2250 5.3913 5.3913 6.0718 6.0718 6.0932 6.0932 7.1933 7.1933 7.2859 7.2859 12.0425 12.0425 12.1127 12.1127 14.2085 14.2085 15.3790 15.3790 k = 0.1250 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.4909 -9.4909 -9.4047 -9.4047 -8.4120 -8.4120 -8.3981 -8.3981 -7.9707 -7.9707 -7.7943 -7.7943 -5.9206 -5.9206 -5.8963 -5.8963 -5.8070 -5.8070 -5.7966 -5.7966 -5.4453 -5.4453 -5.3810 -5.3810 1.5006 1.5006 1.5098 1.5098 5.2050 5.2050 5.3761 5.3761 6.1126 6.1126 6.1457 6.1457 7.1998 7.1998 7.3006 7.3006 12.0060 12.0060 12.0750 12.0750 14.1486 14.1486 15.3484 15.3484 k = 0.1375 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.4932 -9.4932 -9.4008 -9.4008 -8.4108 -8.4108 -8.3966 -8.3966 -7.9752 -7.9752 -7.7848 -7.7848 -5.9190 -5.9190 -5.8944 -5.8944 -5.8064 -5.8064 -5.7948 -5.7948 -5.4472 -5.4472 -5.3770 -5.3770 1.4684 1.4684 1.4789 1.4789 5.1872 5.1872 5.3620 5.3620 6.1544 6.1544 6.1995 6.1995 7.2073 7.2073 7.3155 7.3155 11.9653 11.9653 12.0303 12.0303 14.0951 14.0951 15.2947 15.2947 k = 0.1500 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.4953 -9.4953 -9.3972 -9.3972 -8.4093 -8.4093 -8.3952 -8.3952 -7.9790 -7.9790 -7.7756 -7.7756 -5.9169 -5.9169 -5.8925 -5.8925 -5.8058 -5.8058 -5.7928 -5.7928 -5.4490 -5.4490 -5.3730 -5.3730 1.4341 1.4341 1.4460 1.4460 5.1719 5.1719 5.3491 5.3491 6.1972 6.1972 6.2542 6.2542 7.2158 7.2158 7.3308 7.3308 11.9203 11.9203 11.9786 11.9786 14.0484 14.0484 15.2317 15.2317 k = 0.1625 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.4971 -9.4971 -9.3940 -9.3940 -8.4076 -8.4076 -8.3937 -8.3937 -7.9820 -7.9820 -7.7669 -7.7669 -5.9145 -5.9145 -5.8907 -5.8907 -5.8051 -5.8051 -5.7908 -5.7908 -5.4507 -5.4507 -5.3691 -5.3691 1.3978 1.3978 1.4111 1.4111 5.1589 5.1589 5.3375 5.3375 6.2410 6.2410 6.3097 6.3097 7.2250 7.2250 7.3462 7.3462 11.8709 11.8709 11.9199 11.9199 14.0088 14.0088 15.1660 15.1660 k = 0.1750 0.5000-0.0000 ( 2882 PWs) bands (ev): -9.4985 -9.4985 -9.3911 -9.3911 -8.4056 -8.4056 -8.3923 -8.3923 -7.9843 -7.9843 -7.7586 -7.7586 -5.9117 -5.9117 -5.8890 -5.8890 -5.8042 -5.8042 -5.7886 -5.7886 -5.4521 -5.4521 -5.3653 -5.3653 1.3598 1.3598 1.3745 1.3745 5.1482 5.1482 5.3272 5.3272 6.2855 6.2855 6.3656 6.3656 7.2350 7.2350 7.3616 7.3616 11.8170 11.8170 11.8545 11.8545 13.9763 13.9763 15.1008 15.1008 k = 0.1875 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.4997 -9.4997 -9.3887 -9.3887 -8.4034 -8.4034 -8.3908 -8.3908 -7.9858 -7.9858 -7.7508 -7.7508 -5.9085 -5.9085 -5.8874 -5.8874 -5.8032 -5.8032 -5.7864 -5.7864 -5.4535 -5.4535 -5.3616 -5.3616 1.3203 1.3203 1.3365 1.3365 5.1399 5.1399 5.3184 5.3184 6.3308 6.3308 6.4219 6.4219 7.2457 7.2457 7.3770 7.3770 11.7587 11.7587 11.7828 11.7828 13.9507 13.9507 15.0376 15.0376 k = 0.2000 0.5000-0.0000 ( 2894 PWs) bands (ev): -9.5005 -9.5005 -9.3866 -9.3866 -8.4011 -8.4011 -8.3894 -8.3894 -7.9865 -7.9865 -7.7435 -7.7435 -5.9051 -5.9051 -5.8858 -5.8858 -5.8020 -5.8020 -5.7840 -5.7840 -5.4546 -5.4546 -5.3580 -5.3580 1.2798 1.2798 1.2973 1.2973 5.1337 5.1337 5.3110 5.3110 6.3768 6.3768 6.4783 6.4783 7.2570 7.2570 7.3923 7.3923 11.6961 11.6961 11.7053 11.7053 13.9317 13.9317 14.9771 14.9771 k = 0.2125 0.5000-0.0000 ( 2896 PWs) bands (ev): -9.5010 -9.5010 -9.3850 -9.3850 -8.3985 -8.3985 -8.3880 -8.3880 -7.9863 -7.9863 -7.7368 -7.7368 -5.9014 -5.9014 -5.8844 -5.8844 -5.8006 -5.8006 -5.7816 -5.7816 -5.4555 -5.4555 -5.3547 -5.3547 1.2383 1.2383 1.2571 1.2571 5.1297 5.1297 5.3049 5.3049 6.4233 6.4233 6.5347 6.5347 7.2689 7.2689 7.4074 7.4074 11.6229 11.6229 11.6293 11.6293 13.9188 13.9188 14.9197 14.9197 k = 0.2250 0.5000-0.0000 ( 2896 PWs) bands (ev): -9.5012 -9.5012 -9.3839 -9.3839 -8.3959 -8.3959 -8.3867 -8.3867 -7.9852 -7.9852 -7.7308 -7.7308 -5.8975 -5.8975 -5.8830 -5.8830 -5.7990 -5.7990 -5.7791 -5.7791 -5.4563 -5.4563 -5.3515 -5.3515 1.1962 1.1962 1.2161 1.2161 5.1277 5.1277 5.3001 5.3001 6.4704 6.4704 6.5909 6.5909 7.2814 7.2814 7.4223 7.4223 11.5364 11.5364 11.5587 11.5587 13.9112 13.9112 14.8658 14.8658 k = 0.2375 0.5000-0.0000 ( 2888 PWs) bands (ev): -9.5011 -9.5011 -9.3831 -9.3831 -8.3931 -8.3931 -8.3853 -8.3853 -7.9833 -7.9833 -7.7254 -7.7254 -5.8935 -5.8935 -5.8817 -5.8817 -5.7972 -5.7972 -5.7766 -5.7766 -5.4568 -5.4568 -5.3486 -5.3486 1.1538 1.1538 1.1747 1.1747 5.1275 5.1275 5.2965 5.2965 6.5179 6.5179 6.6467 6.6467 7.2945 7.2945 7.4370 7.4370 11.4464 11.4464 11.4846 11.4846 13.9083 13.9083 14.8153 14.8153 k = 0.2500 0.5000-0.0000 ( 2888 PWs) bands (ev): -9.5007 -9.5007 -9.3829 -9.3829 -8.3904 -8.3904 -8.3839 -8.3839 -7.9805 -7.9805 -7.7208 -7.7208 -5.8895 -5.8895 -5.8804 -5.8804 -5.7951 -5.7951 -5.7740 -5.7740 -5.4570 -5.4570 -5.3460 -5.3460 1.1113 1.1113 1.1330 1.1330 5.1291 5.1291 5.2940 5.2940 6.5656 6.5656 6.7019 6.7019 7.3082 7.3082 7.4514 7.4514 11.3539 11.3539 11.4073 11.4073 13.9096 13.9096 14.7680 14.7680 k = 0.2625 0.5000-0.0000 ( 2896 PWs) bands (ev): -9.5000 -9.5000 -9.3831 -9.3831 -8.3876 -8.3876 -8.3826 -8.3826 -7.9767 -7.9767 -7.7169 -7.7169 -5.8854 -5.8854 -5.8792 -5.8792 -5.7927 -5.7927 -5.7714 -5.7714 -5.4570 -5.4570 -5.3437 -5.3437 1.0690 1.0690 1.0914 1.0914 5.1322 5.1322 5.2926 5.2926 6.6135 6.6135 6.7562 6.7562 7.3226 7.3226 7.4656 7.4656 11.2597 11.2597 11.3273 11.3273 13.9143 13.9143 14.7239 14.7239 k = 0.2750 0.5000-0.0000 ( 2898 PWs) bands (ev): -9.4990 -9.4990 -9.3837 -9.3837 -8.3848 -8.3848 -8.3813 -8.3813 -7.9721 -7.9721 -7.7138 -7.7138 -5.8815 -5.8815 -5.8780 -5.8780 -5.7900 -5.7900 -5.7689 -5.7689 -5.4567 -5.4567 -5.3418 -5.3418 1.0271 1.0271 1.0500 1.0500 5.1368 5.1368 5.2920 5.2920 6.6614 6.6614 6.8092 6.8092 7.3379 7.3379 7.4797 7.4797 11.1645 11.1645 11.2451 11.2451 13.9219 13.9219 14.6827 14.6827 k = 0.2875 0.5000-0.0000 ( 2898 PWs) bands (ev): -9.4977 -9.4977 -9.3848 -9.3848 -8.3822 -8.3822 -8.3801 -8.3801 -7.9667 -7.9667 -7.7115 -7.7115 -5.8778 -5.8778 -5.8768 -5.8768 -5.7870 -5.7870 -5.7663 -5.7663 -5.4560 -5.4560 -5.3402 -5.3402 0.9860 0.9860 1.0092 1.0092 5.1426 5.1426 5.2921 5.2921 6.7090 6.7090 6.8606 6.8606 7.3543 7.3543 7.4937 7.4937 11.0690 11.0690 11.1612 11.1612 13.9319 13.9319 14.6443 14.6443 k = 0.3000 0.5000-0.0000 ( 2902 PWs) bands (ev): -9.4962 -9.4962 -9.3862 -9.3862 -8.3796 -8.3796 -8.3788 -8.3788 -7.9604 -7.9604 -7.7100 -7.7100 -5.8757 -5.8757 -5.8743 -5.8743 -5.7837 -5.7837 -5.7638 -5.7638 -5.4550 -5.4550 -5.3390 -5.3390 0.9459 0.9459 0.9691 0.9691 5.1496 5.1496 5.2929 5.2929 6.7561 6.7561 6.9099 6.9099 7.3720 7.3720 7.5076 7.5076 10.9740 10.9740 11.0761 11.0761 13.9438 13.9438 14.6082 14.6082 k = 0.3125 0.5000-0.0000 ( 2906 PWs) bands (ev): -9.4944 -9.4944 -9.3881 -9.3881 -8.3776 -8.3776 -8.3772 -8.3772 -7.9532 -7.9532 -7.7093 -7.7093 -5.8745 -5.8745 -5.8711 -5.8711 -5.7802 -5.7802 -5.7613 -5.7613 -5.4536 -5.4536 -5.3383 -5.3383 0.9070 0.9070 0.9301 0.9301 5.1575 5.1575 5.2942 5.2942 6.8026 6.8026 6.9564 6.9564 7.3915 7.3915 7.5217 7.5217 10.8802 10.8802 10.9905 10.9905 13.9571 13.9571 14.5744 14.5744 k = 0.3250 0.5000-0.0000 ( 2918 PWs) bands (ev): -9.4923 -9.4923 -9.3903 -9.3903 -8.3764 -8.3764 -8.3750 -8.3750 -7.9454 -7.9454 -7.7095 -7.7095 -5.8734 -5.8734 -5.8682 -5.8682 -5.7765 -5.7765 -5.7589 -5.7589 -5.4518 -5.4518 -5.3381 -5.3381 0.8695 0.8695 0.8922 0.8922 5.1661 5.1661 5.2959 5.2959 6.8479 6.8479 6.9997 6.9997 7.4129 7.4129 7.5360 7.5360 10.7883 10.7883 10.9047 10.9047 13.9716 13.9716 14.5425 14.5425 k = 0.3375 0.5000-0.0000 ( 2918 PWs) bands (ev): -9.4900 -9.4900 -9.3928 -9.3928 -8.3752 -8.3752 -8.3729 -8.3729 -7.9368 -7.9368 -7.7106 -7.7106 -5.8722 -5.8722 -5.8657 -5.8657 -5.7726 -5.7726 -5.7565 -5.7565 -5.4495 -5.4495 -5.3383 -5.3383 0.8337 0.8337 0.8558 0.8558 5.1754 5.1754 5.2978 5.2978 6.8919 6.8919 7.0392 7.0392 7.4365 7.4365 7.5507 7.5507 10.6988 10.6988 10.8196 10.8196 13.9870 13.9870 14.5123 14.5123 k = 0.3500 0.5000-0.0000 ( 2922 PWs) bands (ev): -9.4875 -9.4875 -9.3957 -9.3957 -8.3741 -8.3741 -8.3711 -8.3711 -7.9275 -7.9275 -7.7125 -7.7125 -5.8711 -5.8711 -5.8635 -5.8635 -5.7686 -5.7686 -5.7542 -5.7542 -5.4468 -5.4468 -5.3390 -5.3390 0.7998 0.7998 0.8211 0.8211 5.1852 5.1852 5.2997 5.2997 6.9341 6.9341 7.0744 7.0744 7.4625 7.4625 7.5659 7.5659 10.6124 10.6124 10.7356 10.7356 14.0029 14.0029 14.4836 14.4836 k = 0.3625 0.5000-0.0000 ( 2918 PWs) bands (ev): -9.4848 -9.4848 -9.3988 -9.3988 -8.3730 -8.3730 -8.3694 -8.3694 -7.9177 -7.9177 -7.7152 -7.7152 -5.8699 -5.8699 -5.8617 -5.8617 -5.7647 -5.7647 -5.7520 -5.7520 -5.4436 -5.4436 -5.3403 -5.3403 0.7679 0.7679 0.7883 0.7883 5.1953 5.1953 5.3016 5.3016 6.9741 6.9741 7.1051 7.1051 7.4907 7.4907 7.5818 7.5818 10.5299 10.5299 10.6535 10.6535 14.0194 14.0194 14.4563 14.4563 k = 0.3750 0.5000-0.0000 ( 2922 PWs) bands (ev): -9.4818 -9.4818 -9.4022 -9.4022 -8.3719 -8.3719 -8.3680 -8.3680 -7.9074 -7.9074 -7.7188 -7.7188 -5.8688 -5.8688 -5.8603 -5.8603 -5.7608 -5.7608 -5.7500 -5.7500 -5.4400 -5.4400 -5.3421 -5.3421 0.7383 0.7383 0.7575 0.7575 5.2055 5.2055 5.3034 5.3034 7.0115 7.0115 7.1312 7.1312 7.5207 7.5207 7.5984 7.5984 10.4519 10.4519 10.5738 10.5738 14.0361 14.0361 14.4301 14.4301 k = 0.3875 0.5000-0.0000 ( 2922 PWs) bands (ev): -9.4786 -9.4786 -9.4058 -9.4058 -8.3709 -8.3709 -8.3668 -8.3668 -7.8966 -7.8966 -7.7232 -7.7232 -5.8676 -5.8676 -5.8591 -5.8591 -5.7571 -5.7571 -5.7480 -5.7480 -5.4359 -5.4359 -5.3444 -5.3444 0.7111 0.7111 0.7289 0.7289 5.2158 5.2158 5.3048 5.3048 7.0461 7.0461 7.1530 7.1530 7.5518 7.5518 7.6156 7.6156 10.3791 10.3791 10.4972 10.4972 14.0531 14.0531 14.4050 14.4050 k = 0.4000 0.5000-0.0000 ( 2912 PWs) bands (ev): -9.4753 -9.4753 -9.4096 -9.4096 -8.3699 -8.3699 -8.3658 -8.3658 -7.8855 -7.8855 -7.7284 -7.7284 -5.8665 -5.8665 -5.8583 -5.8583 -5.7537 -5.7537 -5.7462 -5.7462 -5.4313 -5.4313 -5.3472 -5.3472 0.6865 0.6865 0.7028 0.7028 5.2260 5.2260 5.3059 5.3059 7.0775 7.0775 7.1708 7.1708 7.5832 7.5832 7.6334 7.6334 10.3122 10.3122 10.4245 10.4245 14.0702 14.0702 14.3809 14.3809 k = 0.4125 0.5000-0.0000 ( 2908 PWs) bands (ev): -9.4717 -9.4717 -9.4135 -9.4135 -8.3689 -8.3689 -8.3650 -8.3650 -7.8742 -7.8742 -7.7344 -7.7344 -5.8654 -5.8654 -5.8577 -5.8577 -5.7505 -5.7505 -5.7446 -5.7446 -5.4264 -5.4264 -5.3505 -5.3505 0.6646 0.6646 0.6792 0.6792 5.2359 5.2359 5.3064 5.3064 7.1055 7.1055 7.1850 7.1850 7.6138 7.6138 7.6514 7.6514 10.2521 10.2521 10.3564 10.3564 14.0875 14.0875 14.3576 14.3576 k = 0.4250 0.5000-0.0000 ( 2904 PWs) bands (ev): -9.4681 -9.4681 -9.4176 -9.4176 -8.3680 -8.3680 -8.3644 -8.3644 -7.8627 -7.8627 -7.7412 -7.7412 -5.8643 -5.8643 -5.8573 -5.8573 -5.7477 -5.7477 -5.7431 -5.7431 -5.4211 -5.4211 -5.3543 -5.3543 0.6456 0.6456 0.6583 0.6583 5.2455 5.2455 5.3064 5.3064 7.1300 7.1300 7.1960 7.1960 7.6426 7.6426 7.6693 7.6693 10.1994 10.1994 10.2938 10.2938 14.1048 14.1048 14.3351 14.3351 k = 0.4375 0.5000-0.0000 ( 2912 PWs) bands (ev): -9.4642 -9.4642 -9.4218 -9.4218 -8.3672 -8.3672 -8.3640 -8.3640 -7.8511 -7.8511 -7.7486 -7.7486 -5.8633 -5.8633 -5.8572 -5.8572 -5.7453 -5.7453 -5.7418 -5.7418 -5.4155 -5.4155 -5.3586 -5.3586 0.6294 0.6294 0.6402 0.6402 5.2546 5.2546 5.3056 5.3056 7.1510 7.1510 7.2042 7.2042 7.6686 7.6686 7.6863 7.6863 10.1550 10.1550 10.2373 10.2373 14.1223 14.1223 14.3133 14.3133 k = 0.4500 0.5000-0.0000 ( 2916 PWs) bands (ev): -9.4603 -9.4603 -9.4261 -9.4261 -8.3664 -8.3664 -8.3637 -8.3637 -7.8396 -7.8396 -7.7568 -7.7568 -5.8623 -5.8623 -5.8572 -5.8572 -5.7433 -5.7433 -5.7408 -5.7408 -5.4097 -5.4097 -5.3633 -5.3633 0.6163 0.6163 0.6251 0.6251 5.2631 5.2631 5.3042 5.3042 7.1686 7.1686 7.2098 7.2098 7.6910 7.6910 7.7019 7.7019 10.1193 10.1193 10.1878 10.1878 14.1399 14.1399 14.2921 14.2921 k = 0.4625 0.5000-0.0000 ( 2912 PWs) bands (ev): -9.4562 -9.4562 -9.4304 -9.4304 -8.3657 -8.3657 -8.3636 -8.3636 -7.8281 -7.8281 -7.7655 -7.7655 -5.8613 -5.8613 -5.8574 -5.8574 -5.7417 -5.7417 -5.7400 -5.7400 -5.4037 -5.4037 -5.3684 -5.3684 0.6063 0.6063 0.6130 0.6130 5.2710 5.2710 5.3019 5.3019 7.1830 7.1830 7.2131 7.2131 7.7092 7.7092 7.7152 7.7152 10.0932 10.0932 10.1461 10.1461 14.1578 14.1578 14.2715 14.2715 k = 0.4750 0.5000-0.0000 ( 2912 PWs) bands (ev): -9.4520 -9.4520 -9.4348 -9.4348 -8.3651 -8.3651 -8.3637 -8.3637 -7.8168 -7.8168 -7.7749 -7.7749 -5.8604 -5.8604 -5.8578 -5.8578 -5.7405 -5.7405 -5.7394 -5.7394 -5.3976 -5.3976 -5.3738 -5.3738 0.5995 0.5995 0.6039 0.6039 5.2782 5.2782 5.2989 5.2989 7.1944 7.1944 7.2141 7.2141 7.7224 7.7224 7.7254 7.7254 10.0769 10.0769 10.1130 10.1130 14.1759 14.1759 14.2515 14.2515 k = 0.4875 0.5000-0.0000 ( 2912 PWs) bands (ev): -9.4478 -9.4478 -9.4391 -9.4391 -8.3646 -8.3646 -8.3639 -8.3639 -7.8058 -7.8058 -7.7847 -7.7847 -5.8596 -5.8596 -5.8583 -5.8583 -5.7397 -5.7397 -5.7392 -5.7392 -5.3915 -5.3915 -5.3795 -5.3795 0.5958 0.5958 0.5980 0.5980 5.2846 5.2846 5.2950 5.2950 7.2031 7.2031 7.2127 7.2127 7.7306 7.7306 7.7318 7.7318 10.0708 10.0708 10.0891 10.0891 14.1942 14.1942 14.2320 14.2320 k = 0.5000 0.5000-0.0000 ( 2904 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3642 -8.3642 -8.3642 -8.3642 -7.7950 -7.7950 -7.7950 -7.7950 -5.8589 -5.8589 -5.8589 -5.8589 -5.7393 -5.7393 -5.7393 -5.7393 -5.3854 -5.3854 -5.3854 -5.3854 0.5953 0.5953 0.5953 0.5953 5.2902 5.2902 5.2902 5.2902 7.2091 7.2091 7.2091 7.2091 7.7337 7.7337 7.7337 7.7337 10.0749 10.0749 10.0749 10.0749 14.2129 14.2129 14.2129 14.2129 k = 0.5000 0.5000-0.0000 ( 2904 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3642 -8.3642 -8.3642 -8.3642 -7.7950 -7.7950 -7.7950 -7.7950 -5.8589 -5.8589 -5.8589 -5.8589 -5.7393 -5.7393 -5.7393 -5.7393 -5.3854 -5.3854 -5.3854 -5.3854 0.5953 0.5953 0.5953 0.5953 5.2902 5.2902 5.2902 5.2902 7.2091 7.2091 7.2091 7.2091 7.7337 7.7337 7.7337 7.7337 10.0749 10.0749 10.0749 10.0749 14.2129 14.2129 14.2129 14.2129 k = 0.4911 0.4911-0.0000 ( 2912 PWs) bands (ev): -9.4478 -9.4478 -9.4391 -9.4391 -8.3646 -8.3646 -8.3639 -8.3639 -7.8059 -7.8059 -7.7846 -7.7846 -5.8596 -5.8596 -5.8583 -5.8583 -5.7397 -5.7397 -5.7392 -5.7392 -5.3916 -5.3916 -5.3794 -5.3794 0.5955 0.5955 0.5983 0.5983 5.2843 5.2843 5.2952 5.2952 7.2018 7.2018 7.2140 7.2140 7.7289 7.7289 7.7334 7.7334 10.0708 10.0708 10.0893 10.0893 14.1940 14.1940 14.2322 14.2322 k = 0.4821 0.4821-0.0000 ( 2912 PWs) bands (ev): -9.4521 -9.4521 -9.4347 -9.4347 -8.3652 -8.3652 -8.3637 -8.3637 -7.8171 -7.8171 -7.7746 -7.7746 -5.8605 -5.8605 -5.8577 -5.8577 -5.7405 -5.7405 -5.7394 -5.7394 -5.3979 -5.3979 -5.3735 -5.3735 0.5979 0.5979 0.6058 0.6058 5.2765 5.2765 5.3005 5.3005 7.1867 7.1867 7.2218 7.2218 7.7150 7.7150 7.7323 7.7323 10.0769 10.0769 10.1138 10.1138 14.1751 14.1751 14.2523 14.2523 k = 0.4732 0.4732-0.0000 ( 2908 PWs) bands (ev): -9.4564 -9.4564 -9.4302 -9.4302 -8.3658 -8.3658 -8.3636 -8.3636 -7.8288 -7.8288 -7.7649 -7.7649 -5.8614 -5.8614 -5.8573 -5.8573 -5.7417 -5.7417 -5.7400 -5.7400 -5.4047 -5.4047 -5.3674 -5.3674 0.6020 0.6020 0.6179 0.6179 5.2660 5.2660 5.3069 5.3069 7.1628 7.1628 7.2340 7.2340 7.6921 7.6921 7.7306 7.7306 10.0928 10.0928 10.1480 10.1480 14.1559 14.1559 14.2734 14.2734 k = 0.4643 0.4643-0.0000 ( 2910 PWs) bands (ev): -9.4606 -9.4606 -9.4257 -9.4257 -8.3666 -8.3666 -8.3636 -8.3636 -7.8408 -7.8408 -7.7557 -7.7557 -5.8625 -5.8625 -5.8570 -5.8570 -5.7432 -5.7432 -5.7409 -5.7409 -5.4119 -5.4119 -5.3612 -5.3612 0.6077 0.6077 0.6348 0.6348 5.2526 5.2526 5.3148 5.3148 7.1305 7.1305 7.2508 7.2508 7.6606 7.6606 7.7281 7.7281 10.1182 10.1182 10.1913 10.1913 14.1362 14.1362 14.2957 14.2957 k = 0.4554 0.4554-0.0000 ( 2910 PWs) bands (ev): -9.4648 -9.4648 -9.4212 -9.4212 -8.3674 -8.3674 -8.3638 -8.3638 -7.8533 -7.8533 -7.7468 -7.7468 -5.8637 -5.8637 -5.8568 -5.8568 -5.7450 -5.7450 -5.7422 -5.7422 -5.4195 -5.4195 -5.3547 -5.3547 0.6150 0.6150 0.6564 0.6564 5.2361 5.2361 5.3245 5.3245 7.0906 7.0906 7.2718 7.2718 7.6213 7.6213 7.7250 7.7250 10.1521 10.1521 10.2430 10.2430 14.1157 14.1157 14.3195 14.3195 k = 0.4464 0.4464-0.0000 ( 2910 PWs) bands (ev): -9.4690 -9.4690 -9.4167 -9.4167 -8.3684 -8.3684 -8.3640 -8.3640 -7.8661 -7.8661 -7.7382 -7.7382 -5.8650 -5.8650 -5.8567 -5.8567 -5.7471 -5.7471 -5.7437 -5.7437 -5.4277 -5.4277 -5.3479 -5.3479 0.6240 0.6240 0.6824 0.6824 5.2167 5.2167 5.3361 5.3361 7.0442 7.0442 7.2968 7.2968 7.5748 7.5748 7.7212 7.7212 10.1938 10.1938 10.3023 10.3023 14.0942 14.0942 14.3446 14.3446 k = 0.4375 0.4375-0.0000 ( 2914 PWs) bands (ev): -9.4731 -9.4731 -9.4121 -9.4121 -8.3694 -8.3694 -8.3644 -8.3644 -7.8794 -7.8794 -7.7301 -7.7301 -5.8665 -5.8665 -5.8567 -5.8567 -5.7495 -5.7495 -5.7454 -5.7454 -5.4365 -5.4365 -5.3408 -5.3408 0.6346 0.6346 0.7128 0.7128 5.1946 5.1946 5.3496 5.3496 6.9922 6.9922 7.3253 7.3253 7.5222 7.5222 7.7168 7.7168 10.2424 10.2424 10.3685 10.3685 14.0715 14.0715 14.3711 14.3711 k = 0.4286 0.4286-0.0000 ( 2918 PWs) bands (ev): -9.4772 -9.4772 -9.4076 -9.4076 -8.3706 -8.3706 -8.3649 -8.3649 -7.8930 -7.8930 -7.7222 -7.7222 -5.8681 -5.8681 -5.8568 -5.8568 -5.7521 -5.7521 -5.7475 -5.7475 -5.4458 -5.4458 -5.3332 -5.3332 0.6467 0.6467 0.7475 0.7475 5.1701 5.1701 5.3650 5.3650 6.9358 6.9358 7.3556 7.3556 7.4654 7.4654 7.7118 7.7118 10.2969 10.2969 10.4408 10.4408 14.0476 14.0476 14.3988 14.3988 k = 0.4196 0.4196-0.0000 ( 2920 PWs) bands (ev): -9.4813 -9.4813 -9.4031 -9.4031 -8.3719 -8.3719 -8.3655 -8.3655 -7.9069 -7.9069 -7.7146 -7.7146 -5.8698 -5.8698 -5.8570 -5.8570 -5.7548 -5.7548 -5.7498 -5.7498 -5.4556 -5.4556 -5.3253 -5.3253 0.6604 0.6604 0.7861 0.7861 5.1435 5.1435 5.3824 5.3824 6.8758 6.8758 7.3718 7.3718 7.4209 7.4209 7.7062 7.7062 10.3565 10.3565 10.5184 10.5184 14.0224 14.0224 14.4272 14.4272 k = 0.4107 0.4107-0.0000 ( 2916 PWs) bands (ev): -9.4853 -9.4853 -9.3986 -9.3986 -8.3732 -8.3732 -8.3663 -8.3663 -7.9211 -7.9211 -7.7074 -7.7074 -5.8718 -5.8718 -5.8573 -5.8573 -5.7577 -5.7577 -5.7523 -5.7523 -5.4658 -5.4658 -5.3169 -5.3169 0.6755 0.6755 0.8285 0.8285 5.1150 5.1150 5.4016 5.4016 6.8132 6.8132 7.3208 7.3208 7.4421 7.4421 7.7001 7.7001 10.4205 10.4205 10.6005 10.6005 13.9959 13.9959 14.4558 14.4558 k = 0.4018 0.4018-0.0000 ( 2916 PWs) bands (ev): -9.4894 -9.4894 -9.3942 -9.3942 -8.3747 -8.3747 -8.3671 -8.3671 -7.9357 -7.9357 -7.7004 -7.7004 -5.8739 -5.8739 -5.8577 -5.8577 -5.7607 -5.7607 -5.7551 -5.7551 -5.4765 -5.4765 -5.3082 -5.3082 0.6922 0.6922 0.8744 0.8744 5.0850 5.0850 5.4227 5.4227 6.7488 6.7488 7.2506 7.2506 7.4813 7.4813 7.6937 7.6937 10.4882 10.4882 10.6865 10.6865 13.9681 13.9681 14.4840 14.4840 k = 0.3929 0.3929-0.0000 ( 2920 PWs) bands (ev): -9.4934 -9.4934 -9.3898 -9.3898 -8.3762 -8.3762 -8.3681 -8.3681 -7.9505 -7.9505 -7.6937 -7.6937 -5.8762 -5.8762 -5.8582 -5.8582 -5.7637 -5.7637 -5.7580 -5.7580 -5.4876 -5.4876 -5.2990 -5.2990 0.7102 0.7102 0.9236 0.9236 5.0537 5.0537 5.4455 5.4455 6.6834 6.6834 7.1755 7.1755 7.5242 7.5242 7.6872 7.6872 10.5590 10.5590 10.7756 10.7756 13.9390 13.9390 14.5110 14.5110 k = 0.3839 0.3839-0.0000 ( 2916 PWs) bands (ev): -9.4975 -9.4975 -9.3855 -9.3855 -8.3778 -8.3778 -8.3691 -8.3691 -7.9655 -7.9655 -7.6872 -7.6872 -5.8788 -5.8788 -5.8588 -5.8588 -5.7668 -5.7668 -5.7611 -5.7611 -5.4989 -5.4989 -5.2895 -5.2895 0.7297 0.7297 0.9758 0.9758 5.0214 5.0214 5.4701 5.4701 6.6176 6.6176 7.0974 7.0974 7.5684 7.5684 7.6815 7.6815 10.6325 10.6325 10.8672 10.8672 13.9086 13.9086 14.5358 14.5358 k = 0.3750 0.3750-0.0000 ( 2908 PWs) bands (ev): -9.5016 -9.5016 -9.3813 -9.3813 -8.3795 -8.3795 -8.3703 -8.3703 -7.9808 -7.9808 -7.6809 -7.6809 -5.8815 -5.8815 -5.8594 -5.8594 -5.7698 -5.7698 -5.7643 -5.7643 -5.5104 -5.5104 -5.2797 -5.2797 0.7505 0.7505 1.0306 1.0306 4.9883 4.9883 5.4964 5.4964 6.5522 6.5522 7.0170 7.0170 7.6103 7.6103 7.6798 7.6798 10.7083 10.7083 10.9608 10.9608 13.8769 13.8769 14.5573 14.5573 k = 0.3661 0.3661-0.0000 ( 2914 PWs) bands (ev): -9.5057 -9.5057 -9.3772 -9.3772 -8.3813 -8.3813 -8.3716 -8.3716 -7.9962 -7.9962 -7.6748 -7.6748 -5.8845 -5.8845 -5.8601 -5.8601 -5.7729 -5.7729 -5.7677 -5.7677 -5.5221 -5.5221 -5.2696 -5.2696 0.7726 0.7726 1.0878 1.0878 4.9547 4.9547 5.5242 5.5242 6.4875 6.4875 6.9350 6.9350 7.6356 7.6356 7.6959 7.6959 10.7860 10.7860 11.0558 11.0558 13.8439 13.8439 14.5745 14.5745 k = 0.3571 0.3571-0.0000 ( 2908 PWs) bands (ev): -9.5098 -9.5098 -9.3732 -9.3732 -8.3832 -8.3832 -8.3729 -8.3729 -8.0117 -8.0117 -7.6689 -7.6689 -5.8877 -5.8877 -5.8609 -5.8609 -5.7759 -5.7759 -5.7710 -5.7710 -5.5338 -5.5338 -5.2592 -5.2592 0.7960 0.7960 1.1470 1.1470 4.9207 4.9207 5.5536 5.5536 6.4241 6.4241 6.8519 6.8519 7.6370 7.6370 7.7372 7.7372 10.8654 10.8654 11.1518 11.1518 13.8097 13.8097 14.5864 14.5864 k = 0.3482 0.3482-0.0000 ( 2904 PWs) bands (ev): -9.5140 -9.5140 -9.3693 -9.3693 -8.3851 -8.3851 -8.3744 -8.3744 -8.0272 -8.0272 -7.6632 -7.6632 -5.8911 -5.8911 -5.8617 -5.8617 -5.7791 -5.7791 -5.7743 -5.7743 -5.5456 -5.5456 -5.2485 -5.2485 0.8205 0.8205 1.2079 1.2079 4.8867 4.8867 5.5843 5.5843 6.3625 6.3625 6.7682 6.7682 7.6303 7.6303 7.7873 7.7873 10.9462 10.9462 11.2482 11.2482 13.7742 13.7742 14.5921 14.5921 k = 0.3393 0.3393-0.0000 ( 2904 PWs) bands (ev): -9.5183 -9.5183 -9.3656 -9.3656 -8.3872 -8.3872 -8.3759 -8.3759 -8.0428 -8.0428 -7.6576 -7.6576 -5.8948 -5.8948 -5.8625 -5.8625 -5.7825 -5.7825 -5.7774 -5.7774 -5.5572 -5.5572 -5.2377 -5.2377 0.8462 0.8462 1.2701 1.2701 4.8527 4.8527 5.6164 5.6164 6.3029 6.3029 6.6845 6.6845 7.6211 7.6211 7.8406 7.8406 11.0282 11.0282 11.3448 11.3448 13.7374 13.7374 14.5910 14.5910 k = 0.3304 0.3304-0.0000 ( 2900 PWs) bands (ev): -9.5226 -9.5226 -9.3620 -9.3620 -8.3892 -8.3892 -8.3775 -8.3775 -8.0584 -8.0584 -7.6521 -7.6521 -5.8986 -5.8986 -5.8634 -5.8634 -5.7861 -5.7861 -5.7802 -5.7802 -5.5687 -5.5687 -5.2267 -5.2267 0.8729 0.8729 1.3333 1.3333 4.8190 4.8190 5.6495 5.6495 6.2456 6.2456 6.6013 6.6013 7.6109 7.6109 7.8953 7.8953 11.1113 11.1113 11.4410 11.4410 13.6992 13.6992 14.5829 14.5829 k = 0.3214 0.3214-0.0000 ( 2904 PWs) bands (ev): -9.5270 -9.5270 -9.3587 -9.3587 -8.3914 -8.3914 -8.3792 -8.3792 -8.0739 -8.0739 -7.6467 -7.6467 -5.9026 -5.9026 -5.8643 -5.8643 -5.7899 -5.7899 -5.7828 -5.7828 -5.5800 -5.5800 -5.2155 -5.2155 0.9005 0.9005 1.3969 1.3969 4.7857 4.7857 5.6835 5.6835 6.1907 6.1907 6.5195 6.5195 7.6000 7.6000 7.9510 7.9510 11.1953 11.1953 11.5366 11.5366 13.6598 13.6598 14.5680 14.5680 k = 0.3125 0.3125-0.0000 ( 2896 PWs) bands (ev): -9.5316 -9.5316 -9.3554 -9.3554 -8.3936 -8.3936 -8.3810 -8.3810 -8.0893 -8.0893 -7.6415 -7.6415 -5.9067 -5.9067 -5.8651 -5.8651 -5.7939 -5.7939 -5.7853 -5.7853 -5.5910 -5.5910 -5.2042 -5.2042 0.9291 0.9291 1.4607 1.4607 4.7531 4.7531 5.7181 5.7181 6.1381 6.1381 6.4399 6.4399 7.5886 7.5886 8.0073 8.0073 11.2800 11.2800 11.6311 11.6311 13.6190 13.6190 14.5469 14.5469 k = 0.3036 0.3036-0.0000 ( 2900 PWs) bands (ev): -9.5362 -9.5362 -9.3524 -9.3524 -8.3958 -8.3958 -8.3828 -8.3828 -8.1045 -8.1045 -7.6363 -7.6363 -5.9110 -5.9110 -5.8660 -5.8660 -5.7979 -5.7979 -5.7876 -5.7876 -5.6018 -5.6018 -5.1928 -5.1928 0.9585 0.9585 1.5242 1.5242 4.7211 4.7211 5.7527 5.7527 6.0876 6.0876 6.3639 6.3639 7.5768 7.5768 8.0638 8.0638 11.3652 11.3652 11.7242 11.7242 13.5769 13.5769 14.5205 14.5205 k = 0.2946 0.2946-0.0000 ( 2896 PWs) bands (ev): -9.5409 -9.5409 -9.3496 -9.3496 -8.3981 -8.3981 -8.3846 -8.3846 -8.1194 -8.1194 -7.6312 -7.6312 -5.9154 -5.9154 -5.8669 -5.8669 -5.8020 -5.8020 -5.7898 -5.7898 -5.6121 -5.6121 -5.1814 -5.1814 0.9886 0.9886 1.5870 1.5870 4.6901 4.6901 5.7865 5.7865 6.0387 6.0387 6.2934 6.2934 7.5646 7.5646 8.1204 8.1204 11.4508 11.4508 11.8157 11.8157 13.5335 13.5335 14.4900 14.4900 k = 0.2857 0.2857-0.0000 ( 2894 PWs) bands (ev): -9.5458 -9.5458 -9.3470 -9.3470 -8.4004 -8.4004 -8.3865 -8.3865 -8.1342 -8.1342 -7.6261 -7.6261 -5.9198 -5.9198 -5.8678 -5.8678 -5.8061 -5.8061 -5.7920 -5.7920 -5.6221 -5.6221 -5.1699 -5.1699 1.0193 1.0193 1.6486 1.6486 4.6600 4.6600 5.8171 5.8171 5.9913 5.9913 6.2313 6.2313 7.5522 7.5522 8.1767 8.1767 11.5364 11.5364 11.9049 11.9049 13.4888 13.4888 14.4568 14.4568 k = 0.2768 0.2768-0.0000 ( 2888 PWs) bands (ev): -9.5507 -9.5507 -9.3447 -9.3447 -8.4027 -8.4027 -8.3884 -8.3884 -8.1486 -8.1486 -7.6211 -7.6211 -5.9243 -5.9243 -5.8687 -5.8687 -5.8102 -5.8102 -5.7942 -5.7942 -5.6317 -5.6317 -5.1585 -5.1585 1.0506 1.0506 1.7088 1.7088 4.6311 4.6311 5.8374 5.8374 5.9496 5.9496 6.1809 6.1809 7.5395 7.5395 8.2324 8.2324 11.6218 11.6218 11.9917 11.9917 13.4431 13.4431 14.4224 14.4224 k = 0.2679 0.2679-0.0000 ( 2888 PWs) bands (ev): -9.5558 -9.5558 -9.3425 -9.3425 -8.4051 -8.4051 -8.3904 -8.3904 -8.1626 -8.1626 -7.6162 -7.6162 -5.9288 -5.9288 -5.8695 -5.8695 -5.8142 -5.8142 -5.7964 -5.7964 -5.6408 -5.6408 -5.1470 -5.1470 1.0823 1.0823 1.7670 1.7670 4.6033 4.6033 5.8264 5.8264 5.9315 5.9315 6.1457 6.1457 7.5266 7.5266 8.2875 8.2875 11.7065 11.7065 12.0754 12.0754 13.3966 13.3966 14.3883 14.3883 k = 0.2589 0.2589-0.0000 ( 2890 PWs) bands (ev): -9.5611 -9.5611 -9.3406 -9.3406 -8.4074 -8.4074 -8.3923 -8.3923 -8.1763 -8.1763 -7.6113 -7.6113 -5.9333 -5.9333 -5.8704 -5.8704 -5.8182 -5.8182 -5.7986 -5.7986 -5.6494 -5.6494 -5.1357 -5.1357 1.1144 1.1144 1.8230 1.8230 4.5769 4.5769 5.7789 5.7789 5.9399 5.9399 6.1285 6.1285 7.5135 7.5135 8.3415 8.3415 11.7899 11.7899 12.1558 12.1558 13.3498 13.3498 14.3559 14.3559 k = 0.2500 0.2500-0.0000 ( 2894 PWs) bands (ev): -9.5664 -9.5664 -9.3388 -9.3388 -8.4097 -8.4097 -8.3943 -8.3943 -8.1896 -8.1896 -7.6064 -7.6064 -5.9378 -5.9378 -5.8712 -5.8712 -5.8220 -5.8220 -5.8009 -5.8009 -5.6575 -5.6575 -5.1244 -5.1244 1.1467 1.1467 1.8762 1.8762 4.5518 4.5518 5.7168 5.7168 5.9524 5.9524 6.1299 6.1299 7.5003 7.5003 8.3942 8.3942 11.8713 11.8713 12.2321 12.2321 13.3035 13.3035 14.3267 14.3267 k = 0.2411 0.2411-0.0000 ( 2888 PWs) bands (ev): -9.5719 -9.5719 -9.3373 -9.3373 -8.4120 -8.4120 -8.3963 -8.3963 -8.2024 -8.2024 -7.6016 -7.6016 -5.9422 -5.9422 -5.8720 -5.8720 -5.8258 -5.8258 -5.8032 -5.8032 -5.6652 -5.6652 -5.1133 -5.1133 1.1791 1.1791 1.9266 1.9266 4.5282 4.5282 5.6494 5.6494 5.9624 5.9624 6.1474 6.1474 7.4869 7.4869 8.4454 8.4454 11.9495 11.9495 12.3040 12.3040 13.2589 13.2589 14.3019 14.3019 k = 0.2321 0.2321-0.0000 ( 2898 PWs) bands (ev): -9.5776 -9.5776 -9.3360 -9.3360 -8.4142 -8.4142 -8.3983 -8.3983 -8.2148 -8.2148 -7.5968 -7.5968 -5.9466 -5.9466 -5.8728 -5.8728 -5.8294 -5.8294 -5.8057 -5.8057 -5.6723 -5.6723 -5.1023 -5.1023 1.2115 1.2115 1.9737 1.9737 4.5061 4.5061 5.5799 5.5799 5.9720 5.9720 6.1760 6.1760 7.4735 7.4735 8.4948 8.4948 12.0226 12.0226 12.3711 12.3711 13.2177 13.2177 14.2826 14.2826 k = 0.2232 0.2232-0.0000 ( 2898 PWs) bands (ev): -9.5833 -9.5833 -9.3349 -9.3349 -8.4163 -8.4163 -8.4003 -8.4003 -8.2267 -8.2267 -7.5920 -7.5920 -5.9509 -5.9509 -5.8736 -5.8736 -5.8328 -5.8328 -5.8082 -5.8082 -5.6789 -5.6789 -5.0915 -5.0915 1.2437 1.2437 2.0173 2.0173 4.4855 4.4855 5.5101 5.5101 5.9840 5.9840 6.2113 6.2113 7.4600 7.4600 8.5421 8.5421 12.0882 12.0882 12.4331 12.4331 13.1823 13.1823 14.2698 14.2698 k = 0.2143 0.2143-0.0000 ( 2885 PWs) bands (ev): -9.5892 -9.5892 -9.3340 -9.3340 -8.4184 -8.4184 -8.4022 -8.4022 -8.2381 -8.2381 -7.5873 -7.5873 -5.9552 -5.9552 -5.8743 -5.8743 -5.8360 -5.8360 -5.8109 -5.8109 -5.6850 -5.6850 -5.0808 -5.0808 1.2758 1.2758 2.0574 2.0574 4.4664 4.4664 5.4409 5.4409 6.0002 6.0002 6.2504 6.2504 7.4465 7.4465 8.5871 8.5871 12.1428 12.1428 12.4907 12.4907 13.1556 13.1556 14.2641 14.2641 k = 0.2054 0.2054-0.0000 ( 2889 PWs) bands (ev): -9.5951 -9.5951 -9.3333 -9.3333 -8.4204 -8.4204 -8.4042 -8.4042 -8.2491 -8.2491 -7.5826 -7.5826 -5.9593 -5.9593 -5.8750 -5.8750 -5.8391 -5.8391 -5.8137 -5.8137 -5.6905 -5.6905 -5.0704 -5.0704 1.3075 1.3075 2.0937 2.0937 4.4489 4.4489 5.3728 5.3728 6.0215 6.0215 6.2918 6.2918 7.4330 7.4330 8.6295 8.6295 12.1822 12.1822 12.5448 12.5448 13.1408 13.1408 14.2660 14.2660 k = 0.1964 0.1964-0.0000 ( 2893 PWs) bands (ev): -9.6011 -9.6011 -9.3327 -9.3327 -8.4222 -8.4222 -8.4061 -8.4061 -8.2595 -8.2595 -7.5780 -7.5780 -5.9633 -5.9633 -5.8758 -5.8758 -5.8419 -5.8419 -5.8166 -5.8166 -5.6956 -5.6956 -5.0603 -5.0603 1.3387 1.3387 2.1263 2.1263 4.4328 4.4328 5.3065 5.3065 6.0483 6.0483 6.3347 6.3347 7.4194 7.4194 8.6692 8.6692 12.2023 12.2023 12.5969 12.5969 13.1404 13.1404 14.2756 14.2756 k = 0.1875 0.1875-0.0000 ( 2883 PWs) bands (ev): -9.6072 -9.6072 -9.3323 -9.3323 -8.4240 -8.4240 -8.4079 -8.4079 -8.2694 -8.2694 -7.5735 -7.5735 -5.9672 -5.9672 -5.8765 -5.8765 -5.8445 -5.8445 -5.8195 -5.8195 -5.7003 -5.7003 -5.0504 -5.0504 1.3693 1.3693 2.1552 2.1552 4.4181 4.4181 5.2423 5.2423 6.0805 6.0805 6.3784 6.3784 7.4059 7.4059 8.7059 8.7059 12.2014 12.2014 12.6478 12.6478 13.1560 13.1560 14.2926 14.2926 k = 0.1786 0.1786-0.0000 ( 2875 PWs) bands (ev): -9.6133 -9.6133 -9.3320 -9.3320 -8.4256 -8.4256 -8.4098 -8.4098 -8.2788 -8.2788 -7.5690 -7.5690 -5.9710 -5.9710 -5.8772 -5.8772 -5.8469 -5.8469 -5.8226 -5.8226 -5.7044 -5.7044 -5.0408 -5.0408 1.3992 1.3992 2.1804 2.1804 4.4048 4.4048 5.1805 5.1805 6.1179 6.1179 6.4225 6.4225 7.3924 7.3924 8.7395 8.7395 12.1804 12.1804 12.6976 12.6976 13.1873 13.1873 14.3162 14.3162 k = 0.1696 0.1696-0.0000 ( 2873 PWs) bands (ev): -9.6194 -9.6194 -9.3319 -9.3319 -8.4270 -8.4270 -8.4115 -8.4115 -8.2878 -8.2878 -7.5647 -7.5647 -5.9747 -5.9747 -5.8779 -5.8779 -5.8490 -5.8490 -5.8257 -5.8257 -5.7082 -5.7082 -5.0315 -5.0315 1.4283 1.4283 2.2022 2.2022 4.3927 4.3927 5.1213 5.1213 6.1601 6.1601 6.4668 6.4668 7.3789 7.3789 8.7698 8.7698 12.1425 12.1425 12.7452 12.7452 13.2326 13.2326 14.3457 14.3457 k = 0.1607 0.1607-0.0000 ( 2873 PWs) bands (ev): -9.6255 -9.6255 -9.3318 -9.3318 -8.4283 -8.4283 -8.4133 -8.4133 -8.2963 -8.2963 -7.5604 -7.5604 -5.9782 -5.9782 -5.8785 -5.8785 -5.8509 -5.8509 -5.8289 -5.8289 -5.7116 -5.7116 -5.0226 -5.0226 1.4565 1.4565 2.2207 2.2207 4.3817 4.3817 5.0650 5.0650 6.2066 6.2066 6.5111 6.5111 7.3654 7.3654 8.7967 8.7967 12.0916 12.0916 12.7901 12.7901 13.2897 13.2897 14.3797 14.3797 k = 0.1518 0.1518-0.0000 ( 2877 PWs) bands (ev): -9.6315 -9.6315 -9.3319 -9.3319 -8.4295 -8.4295 -8.4149 -8.4149 -8.3043 -8.3043 -7.5562 -7.5562 -5.9815 -5.9815 -5.8791 -5.8791 -5.8527 -5.8527 -5.8321 -5.8321 -5.7147 -5.7147 -5.0140 -5.0140 1.4836 1.4836 2.2362 2.2362 4.3717 4.3717 5.0118 5.0118 6.2569 6.2569 6.5553 6.5553 7.3520 7.3520 8.8203 8.8203 12.0312 12.0312 12.8319 12.8319 13.3560 13.3560 14.4169 14.4169 k = 0.1429 0.1429-0.0000 ( 2877 PWs) bands (ev): -9.6374 -9.6374 -9.3320 -9.3320 -8.4304 -8.4304 -8.4166 -8.4166 -8.3118 -8.3118 -7.5522 -7.5522 -5.9848 -5.9848 -5.8797 -5.8797 -5.8541 -5.8541 -5.8352 -5.8352 -5.7174 -5.7174 -5.0059 -5.0059 1.5096 1.5096 2.2488 2.2488 4.3625 4.3625 4.9619 4.9619 6.3103 6.3103 6.5991 6.5991 7.3385 7.3385 8.8405 8.8405 11.9641 11.9641 12.8709 12.8709 13.4292 13.4292 14.4556 14.4556 k = 0.1339 0.1339-0.0000 ( 2883 PWs) bands (ev): -9.6432 -9.6432 -9.3322 -9.3322 -8.4312 -8.4312 -8.4181 -8.4181 -8.3189 -8.3189 -7.5483 -7.5483 -5.9878 -5.9878 -5.8803 -5.8803 -5.8554 -5.8554 -5.8384 -5.8384 -5.7198 -5.7198 -4.9981 -4.9981 1.5344 1.5344 2.2589 2.2589 4.3539 4.3539 4.9156 4.9156 6.3661 6.3661 6.6426 6.6426 7.3251 7.3251 8.8574 8.8574 11.8926 11.8926 12.9078 12.9078 13.5070 13.5070 14.4945 14.4945 k = 0.1250 0.1250-0.0000 ( 2879 PWs) bands (ev): -9.6489 -9.6489 -9.3324 -9.3324 -8.4318 -8.4318 -8.4196 -8.4196 -8.3256 -8.3256 -7.5446 -7.5446 -5.9907 -5.9907 -5.8808 -5.8808 -5.8566 -5.8566 -5.8414 -5.8414 -5.7220 -5.7220 -4.9907 -4.9907 1.5579 1.5579 2.2668 2.2668 4.3457 4.3457 4.8730 4.8730 6.4235 6.4235 6.6857 6.6857 7.3118 7.3118 8.8712 8.8712 11.8185 11.8185 12.9432 12.9432 13.5874 13.5874 14.5324 14.5324 k = 0.1161 0.1161-0.0000 ( 2883 PWs) bands (ev): -9.6543 -9.6543 -9.3327 -9.3327 -8.4323 -8.4323 -8.4209 -8.4209 -8.3319 -8.3319 -7.5411 -7.5411 -5.9934 -5.9934 -5.8812 -5.8812 -5.8576 -5.8576 -5.8443 -5.8443 -5.7239 -5.7239 -4.9837 -4.9837 1.5801 1.5801 2.2727 2.2727 4.3378 4.3378 4.8342 4.8342 6.4816 6.4816 6.7284 6.7284 7.2984 7.2984 8.8820 8.8820 11.7433 11.7433 12.9774 12.9774 13.6684 13.6684 14.5688 14.5688 k = 0.1071 0.1071-0.0000 ( 2883 PWs) bands (ev): -9.6595 -9.6595 -9.3330 -9.3330 -8.4326 -8.4326 -8.4222 -8.4222 -8.3377 -8.3377 -7.5377 -7.5377 -5.9960 -5.9960 -5.8816 -5.8816 -5.8585 -5.8585 -5.8471 -5.8471 -5.7256 -5.7256 -4.9773 -4.9773 1.6008 1.6008 2.2769 2.2769 4.3299 4.3299 4.7994 4.7994 6.5395 6.5395 6.7706 6.7706 7.2850 7.2850 8.8902 8.8902 11.6682 11.6682 13.0110 13.0110 13.7481 13.7481 14.6035 14.6035 k = 0.0982 0.0982-0.0000 ( 2881 PWs) bands (ev): -9.6645 -9.6645 -9.3333 -9.3333 -8.4328 -8.4328 -8.4235 -8.4235 -8.3431 -8.3431 -7.5345 -7.5345 -5.9984 -5.9984 -5.8819 -5.8819 -5.8593 -5.8593 -5.8497 -5.8497 -5.7272 -5.7272 -4.9712 -4.9712 1.6200 1.6200 2.2797 2.2797 4.3220 4.3220 4.7687 4.7687 6.5963 6.5963 6.8123 6.8123 7.2716 7.2716 8.8959 8.8959 11.5942 11.5942 13.0439 13.0439 13.8249 13.8249 14.6374 14.6374 k = 0.0893 0.0893-0.0000 ( 2887 PWs) bands (ev): -9.6691 -9.6691 -9.3336 -9.3336 -8.4328 -8.4328 -8.4246 -8.4246 -8.3482 -8.3482 -7.5316 -7.5316 -6.0006 -6.0006 -5.8821 -5.8821 -5.8602 -5.8602 -5.8520 -5.8520 -5.7285 -5.7285 -4.9657 -4.9657 1.6377 1.6377 2.2814 2.2814 4.3140 4.3140 4.7419 4.7419 6.6510 6.6510 6.8535 6.8535 7.2582 7.2582 8.8995 8.8995 11.5225 11.5225 13.0763 13.0763 13.8969 13.8969 14.6716 14.6716 k = 0.0804 0.0804-0.0000 ( 2885 PWs) bands (ev): -9.6734 -9.6734 -9.3339 -9.3339 -8.4327 -8.4327 -8.4256 -8.4256 -8.3528 -8.3528 -7.5289 -7.5289 -6.0025 -6.0025 -5.8821 -5.8821 -5.8612 -5.8612 -5.8540 -5.8540 -5.7297 -5.7297 -4.9606 -4.9606 1.6538 1.6538 2.2822 2.2822 4.3059 4.3059 4.7190 4.7190 6.7028 6.7028 6.8940 6.8940 7.2448 7.2448 8.9013 8.9013 11.4539 11.4539 13.1078 13.1078 13.9623 13.9623 14.7075 14.7075 k = 0.0714 0.0714-0.0000 ( 2881 PWs) bands (ev): -9.6774 -9.6774 -9.3342 -9.3342 -8.4325 -8.4325 -8.4265 -8.4265 -8.3570 -8.3570 -7.5264 -7.5264 -6.0043 -6.0043 -5.8821 -5.8821 -5.8625 -5.8625 -5.8555 -5.8555 -5.7307 -5.7307 -4.9560 -4.9560 1.6682 1.6682 2.2823 2.2823 4.2977 4.2977 4.6998 4.6998 6.7510 6.7510 6.9332 6.9332 7.2315 7.2315 8.9017 8.9017 11.3893 11.3893 13.1382 13.1382 14.0198 14.0198 14.7462 14.7462 k = 0.0625 0.0625-0.0000 ( 2889 PWs) bands (ev): -9.6810 -9.6810 -9.3345 -9.3345 -8.4322 -8.4322 -8.4274 -8.4274 -8.3608 -8.3608 -7.5242 -7.5242 -6.0060 -6.0060 -5.8820 -5.8820 -5.8640 -5.8640 -5.8565 -5.8565 -5.7316 -5.7316 -4.9520 -4.9520 1.6811 1.6811 2.2819 2.2819 4.2897 4.2897 4.6841 4.6841 6.7951 6.7951 6.9707 6.9707 7.2185 7.2185 8.9011 8.9011 11.3297 11.3297 13.1671 13.1671 14.0683 14.0683 14.7880 14.7880 k = 0.0536 0.0536-0.0000 ( 2889 PWs) bands (ev): -9.6841 -9.6841 -9.3347 -9.3347 -8.4318 -8.4318 -8.4281 -8.4281 -8.3641 -8.3641 -7.5223 -7.5223 -6.0073 -6.0073 -5.8818 -5.8818 -5.8656 -5.8656 -5.8572 -5.8572 -5.7324 -5.7324 -4.9485 -4.9485 1.6922 1.6922 2.2812 2.2812 4.2820 4.2820 4.6714 4.6714 6.8349 6.8349 7.0053 7.0053 7.2060 7.2060 8.8997 8.8997 11.2759 11.2759 13.1938 13.1938 14.1078 14.1078 14.8323 14.8323 k = 0.0446 0.0446-0.0000 ( 2885 PWs) bands (ev): -9.6868 -9.6868 -9.3349 -9.3349 -8.4314 -8.4314 -8.4287 -8.4287 -8.3670 -8.3670 -7.5207 -7.5207 -6.0085 -6.0085 -5.8815 -5.8815 -5.8672 -5.8672 -5.8576 -5.8576 -5.7330 -5.7330 -4.9455 -4.9455 1.7017 1.7017 2.2804 2.2804 4.2749 4.2749 4.6615 4.6615 6.8702 6.8702 7.0357 7.0357 7.1946 7.1946 8.8980 8.8980 11.2287 11.2287 13.2178 13.2178 14.1385 14.1385 14.8776 14.8776 k = 0.0357 0.0357-0.0000 ( 2881 PWs) bands (ev): -9.6890 -9.6890 -9.3351 -9.3351 -8.4311 -8.4311 -8.4292 -8.4292 -8.3694 -8.3694 -7.5193 -7.5193 -6.0095 -6.0095 -5.8812 -5.8812 -5.8687 -5.8687 -5.8579 -5.8579 -5.7335 -5.7335 -4.9430 -4.9430 1.7094 1.7094 2.2795 2.2795 4.2688 4.2688 4.6539 4.6539 6.9009 6.9009 7.0603 7.0603 7.1850 7.1850 8.8961 8.8961 11.1889 11.1889 13.2386 13.2386 14.1616 14.1616 14.9211 14.9211 k = 0.0268 0.0268-0.0000 ( 2869 PWs) bands (ev): -9.6908 -9.6908 -9.3352 -9.3352 -8.4307 -8.4307 -8.4296 -8.4296 -8.3713 -8.3713 -7.5182 -7.5182 -6.0103 -6.0103 -5.8808 -5.8808 -5.8700 -5.8700 -5.8581 -5.8581 -5.7339 -5.7339 -4.9411 -4.9411 1.7155 1.7155 2.2787 2.2787 4.2637 4.2637 4.6484 4.6484 6.9267 6.9267 7.0774 7.0774 7.1786 7.1786 8.8944 8.8944 11.1571 11.1571 13.2554 13.2554 14.1780 14.1780 14.9597 14.9597 k = 0.0179 0.0179-0.0000 ( 2873 PWs) bands (ev): -9.6920 -9.6920 -9.3353 -9.3353 -8.4305 -8.4305 -8.4299 -8.4299 -8.3727 -8.3727 -7.5174 -7.5174 -6.0108 -6.0108 -5.8804 -5.8804 -5.8711 -5.8711 -5.8582 -5.8582 -5.7342 -5.7342 -4.9397 -4.9397 1.7198 1.7198 2.2781 2.2781 4.2599 4.2599 4.6447 4.6447 6.9468 6.9468 7.0866 7.0866 7.1759 7.1759 8.8930 8.8930 11.1340 11.1340 13.2678 13.2678 14.1889 14.1889 14.9903 14.9903 k = 0.0089 0.0089-0.0000 ( 2877 PWs) bands (ev): -9.6928 -9.6928 -9.3354 -9.3354 -8.4303 -8.4303 -8.4301 -8.4301 -8.3736 -8.3736 -7.5170 -7.5170 -6.0112 -6.0112 -5.8801 -5.8801 -5.8718 -5.8718 -5.8582 -5.8582 -5.7343 -5.7343 -4.9389 -4.9389 1.7224 1.7224 2.2777 2.2777 4.2575 4.2575 4.6425 4.6425 6.9600 6.9600 7.0896 7.0896 7.1758 7.1758 8.8921 8.8921 11.1199 11.1199 13.2754 13.2754 14.1951 14.1951 15.0100 15.0100 k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -9.6931 -9.6931 -9.3354 -9.3354 -8.4303 -8.4303 -8.4301 -8.4301 -8.3738 -8.3738 -7.5168 -7.5168 -6.0113 -6.0113 -5.8799 -5.8799 -5.8721 -5.8721 -5.8583 -5.8583 -5.7344 -5.7344 -4.9386 -4.9386 1.7233 1.7233 2.2776 2.2776 4.2568 4.2568 4.6418 4.6418 6.9646 6.9646 7.0901 7.0901 7.1761 7.1761 8.8918 8.8918 11.1152 11.1152 13.2780 13.2780 14.1971 14.1971 15.0168 15.0168 k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -9.6931 -9.6931 -9.3354 -9.3354 -8.4303 -8.4303 -8.4301 -8.4301 -8.3738 -8.3738 -7.5168 -7.5168 -6.0113 -6.0113 -5.8799 -5.8799 -5.8721 -5.8721 -5.8583 -5.8583 -5.7344 -5.7344 -4.9386 -4.9386 1.7233 1.7233 2.2776 2.2776 4.2568 4.2568 4.6418 4.6418 6.9646 6.9646 7.0901 7.0901 7.1761 7.1761 8.8918 8.8918 11.1152 11.1152 13.2780 13.2780 14.1971 14.1971 15.0168 15.0168 k = 0.0000 0.0000 0.0124 ( 2877 PWs) bands (ev): -9.6930 -9.6930 -9.3354 -9.3354 -8.4302 -8.4302 -8.4301 -8.4301 -8.3739 -8.3739 -7.5169 -7.5169 -6.0112 -6.0112 -5.8799 -5.8799 -5.8721 -5.8721 -5.8582 -5.8582 -5.7345 -5.7345 -4.9386 -4.9386 1.7084 1.7084 2.2941 2.2941 4.2572 4.2572 4.6422 4.6422 6.9645 6.9645 7.0900 7.0900 7.1761 7.1761 8.8905 8.8905 11.1126 11.1126 13.2763 13.2763 14.1927 14.1927 15.0080 15.0080 k = 0.0000 0.0000 0.0248 ( 2885 PWs) bands (ev): -9.6929 -9.6929 -9.3353 -9.3353 -8.4301 -8.4301 -8.4300 -8.4300 -8.3739 -8.3739 -7.5171 -7.5171 -6.0110 -6.0110 -5.8799 -5.8799 -5.8720 -5.8720 -5.8582 -5.8582 -5.7349 -5.7349 -4.9385 -4.9385 1.6681 1.6681 2.3392 2.3392 4.2584 4.2584 4.6432 4.6432 6.9642 6.9642 7.0897 7.0897 7.1760 7.1760 8.8865 8.8865 11.1049 11.1049 13.2710 13.2710 14.1801 14.1801 14.9826 14.9826 k = 0.0000 0.0000 0.0373 ( 2885 PWs) bands (ev): -9.6926 -9.6926 -9.3352 -9.3352 -8.4299 -8.4299 -8.4299 -8.4299 -8.3740 -8.3740 -7.5174 -7.5174 -6.0106 -6.0106 -5.8799 -5.8799 -5.8720 -5.8720 -5.8581 -5.8581 -5.7355 -5.7355 -4.9384 -4.9384 1.6113 1.6113 2.4040 2.4040 4.2604 4.2604 4.6450 4.6450 6.9636 6.9636 7.0893 7.0893 7.1758 7.1758 8.8799 8.8799 11.0923 11.0923 13.2620 13.2620 14.1604 14.1604 14.9425 14.9425 k = 0.0000 0.0000 0.0497 ( 2869 PWs) bands (ev): -9.6922 -9.6922 -9.3350 -9.3350 -8.4298 -8.4298 -8.4295 -8.4295 -8.3741 -8.3741 -7.5179 -7.5179 -6.0100 -6.0100 -5.8798 -5.8798 -5.8719 -5.8719 -5.8580 -5.8580 -5.7363 -5.7363 -4.9383 -4.9383 1.5452 1.5452 2.4813 2.4813 4.2631 4.2631 4.6474 4.6474 6.9629 6.9629 7.0886 7.0886 7.1755 7.1755 8.8705 8.8705 11.0753 11.0753 13.2488 13.2488 14.1352 14.1352 14.8907 14.8907 k = 0.0000 0.0000 0.0621 ( 2869 PWs) bands (ev): -9.6918 -9.6918 -9.3348 -9.3348 -8.4296 -8.4296 -8.4291 -8.4291 -8.3743 -8.3743 -7.5185 -7.5185 -6.0093 -6.0093 -5.8798 -5.8798 -5.8718 -5.8718 -5.8579 -5.8579 -5.7373 -5.7373 -4.9382 -4.9382 1.4743 1.4743 2.5665 2.5665 4.2667 4.2667 4.6505 4.6505 6.9619 6.9619 7.0878 7.0878 7.1752 7.1752 8.8583 8.8583 11.0543 11.0543 13.2311 13.2311 14.1060 14.1060 14.8300 14.8300 k = 0.0000 0.0000 0.0745 ( 2869 PWs) bands (ev): -9.6912 -9.6912 -9.3345 -9.3345 -8.4294 -8.4294 -8.4286 -8.4286 -8.3744 -8.3744 -7.5191 -7.5191 -6.0085 -6.0085 -5.8797 -5.8797 -5.8718 -5.8718 -5.8577 -5.8577 -5.7386 -5.7386 -4.9380 -4.9380 1.4013 1.4013 2.6569 2.6569 4.2709 4.2709 4.6542 4.6542 6.9607 6.9607 7.0869 7.0869 7.1748 7.1748 8.8432 8.8432 11.0300 11.0300 13.2087 13.2087 14.0741 14.0741 14.7629 14.7629 k = 0.0000 0.0000 0.0869 ( 2893 PWs) bands (ev): -9.6905 -9.6905 -9.3342 -9.3342 -8.4291 -8.4291 -8.4281 -8.4281 -8.3747 -8.3747 -7.5200 -7.5200 -6.0076 -6.0076 -5.8796 -5.8796 -5.8717 -5.8717 -5.8575 -5.8575 -5.7401 -5.7401 -4.9378 -4.9378 1.3278 1.3278 2.7509 2.7509 4.2759 4.2759 4.6584 4.6584 6.9593 6.9593 7.0857 7.0857 7.1743 7.1743 8.8250 8.8250 11.0032 11.0032 13.1816 13.1816 14.0401 14.0401 14.6914 14.6914 k = 0.0000 0.0000 0.0993 ( 2901 PWs) bands (ev): -9.6898 -9.6898 -9.3339 -9.3339 -8.4288 -8.4288 -8.4274 -8.4274 -8.3749 -8.3749 -7.5209 -7.5209 -6.0065 -6.0065 -5.8794 -5.8794 -5.8715 -5.8715 -5.8573 -5.8573 -5.7418 -5.7418 -4.9375 -4.9375 1.2547 1.2547 2.8473 2.8473 4.2815 4.2815 4.6633 4.6633 6.9577 6.9577 7.0844 7.0844 7.1737 7.1737 8.8037 8.8037 10.9745 10.9745 13.1499 13.1499 14.0044 14.0044 14.6171 14.6171 k = 0.0000 0.0000 0.1118 ( 2905 PWs) bands (ev): -9.6890 -9.6890 -9.3335 -9.3335 -8.4285 -8.4285 -8.4267 -8.4267 -8.3752 -8.3752 -7.5219 -7.5219 -6.0053 -6.0053 -5.8793 -5.8793 -5.8714 -5.8714 -5.8571 -5.8571 -5.7437 -5.7437 -4.9373 -4.9373 1.1828 1.1828 2.9455 2.9455 4.2877 4.2877 4.6686 4.6686 6.9559 6.9559 7.0830 7.0830 7.1731 7.1731 8.7792 8.7792 10.9446 10.9446 13.1142 13.1142 13.9667 13.9667 14.5415 14.5415 k = 0.0000 0.0000 0.1242 ( 2889 PWs) bands (ev): -9.6881 -9.6881 -9.3331 -9.3331 -8.4281 -8.4281 -8.4258 -8.4258 -8.3755 -8.3755 -7.5230 -7.5230 -6.0039 -6.0039 -5.8791 -5.8791 -5.8713 -5.8713 -5.8568 -5.8568 -5.7458 -5.7458 -4.9370 -4.9370 1.1125 1.1125 3.0449 3.0449 4.2945 4.2945 4.6745 4.6745 6.9539 6.9539 7.0815 7.0815 7.1724 7.1724 8.7514 8.7514 10.9143 10.9143 13.0750 13.0750 13.9266 13.9266 14.4655 14.4655 k = 0.0000 0.0000 0.1366 ( 2889 PWs) bands (ev): -9.6872 -9.6872 -9.3326 -9.3326 -8.4277 -8.4277 -8.4250 -8.4250 -8.3759 -8.3759 -7.5241 -7.5241 -6.0025 -6.0025 -5.8788 -5.8788 -5.8711 -5.8711 -5.8566 -5.8566 -5.7481 -5.7481 -4.9367 -4.9367 1.0440 1.0440 3.1451 3.1451 4.3018 4.3018 4.6807 4.6807 6.9517 6.9517 7.0799 7.0799 7.1717 7.1717 8.7201 8.7201 10.8843 10.8843 13.0332 13.0332 13.8838 13.8838 14.3898 14.3898 k = 0.0000 0.0000 0.1490 ( 2877 PWs) bands (ev): -9.6862 -9.6862 -9.3321 -9.3321 -8.4273 -8.4273 -8.4240 -8.4240 -8.3763 -8.3763 -7.5254 -7.5254 -6.0010 -6.0010 -5.8786 -5.8786 -5.8709 -5.8709 -5.8563 -5.8563 -5.7506 -5.7506 -4.9364 -4.9364 0.9777 0.9777 3.2456 3.2456 4.3095 4.3095 4.6873 4.6873 6.9494 6.9494 7.0782 7.0782 7.1710 7.1710 8.6856 8.6856 10.8550 10.8550 12.9896 12.9896 13.8378 13.8378 14.3151 14.3151 k = 0.0000 0.0000 0.1614 ( 2881 PWs) bands (ev): -9.6852 -9.6852 -9.3317 -9.3317 -8.4269 -8.4269 -8.4230 -8.4230 -8.3768 -8.3768 -7.5266 -7.5266 -5.9994 -5.9994 -5.8782 -5.8782 -5.8708 -5.8708 -5.8560 -5.8560 -5.7532 -5.7532 -4.9360 -4.9360 0.9138 0.9138 3.3461 3.3461 4.3176 4.3176 4.6943 4.6943 6.9468 6.9468 7.0765 7.0765 7.1701 7.1701 8.6477 8.6477 10.8269 10.8269 12.9451 12.9451 13.7884 13.7884 14.2420 14.2420 k = 0.0000 0.0000 0.1738 ( 2877 PWs) bands (ev): -9.6841 -9.6841 -9.3311 -9.3311 -8.4265 -8.4265 -8.4219 -8.4219 -8.3772 -8.3772 -7.5280 -7.5280 -5.9977 -5.9977 -5.8778 -5.8778 -5.8706 -5.8706 -5.8557 -5.8557 -5.7559 -5.7559 -4.9357 -4.9357 0.8524 0.8524 3.4462 3.4462 4.3261 4.3261 4.7014 4.7014 6.9441 6.9441 7.0747 7.0747 7.1692 7.1692 8.6067 8.6067 10.8006 10.8006 12.9003 12.9003 13.7357 13.7357 14.1708 14.1708 k = 0.0000 0.0000 0.1863 ( 2869 PWs) bands (ev): -9.6830 -9.6830 -9.3306 -9.3306 -8.4260 -8.4260 -8.4208 -8.4208 -8.3778 -8.3778 -7.5293 -7.5293 -5.9960 -5.9960 -5.8774 -5.8774 -5.8704 -5.8704 -5.8554 -5.8554 -5.7588 -5.7588 -4.9353 -4.9353 0.7937 0.7937 3.5455 3.5455 4.3348 4.3348 4.7087 4.7087 6.9412 6.9412 7.0728 7.0728 7.1683 7.1683 8.5628 8.5628 10.7762 10.7762 12.8560 12.8560 13.6800 13.6800 14.1019 14.1019 k = 0.0000 0.0000 0.1987 ( 2869 PWs) bands (ev): -9.6819 -9.6819 -9.3301 -9.3301 -8.4256 -8.4256 -8.4196 -8.4196 -8.3783 -8.3783 -7.5307 -7.5307 -5.9942 -5.9942 -5.8769 -5.8769 -5.8702 -5.8702 -5.8550 -5.8550 -5.7617 -5.7617 -4.9350 -4.9350 0.7377 0.7377 3.6438 3.6438 4.3437 4.3437 4.7161 4.7161 6.9381 6.9381 7.0710 7.0710 7.1674 7.1674 8.5161 8.5161 10.7541 10.7541 12.8129 12.8129 13.6217 13.6217 14.0357 14.0357 k = 0.0000 0.0000 0.2111 ( 2893 PWs) bands (ev): -9.6808 -9.6808 -9.3296 -9.3296 -8.4252 -8.4252 -8.4184 -8.4184 -8.3790 -8.3790 -7.5321 -7.5321 -5.9924 -5.9924 -5.8764 -5.8764 -5.8700 -5.8700 -5.8547 -5.8547 -5.7648 -5.7648 -4.9347 -4.9347 0.6847 0.6847 3.7405 3.7405 4.3528 4.3528 4.7236 4.7236 6.9349 6.9349 7.0691 7.0691 7.1664 7.1664 8.4671 8.4671 10.7343 10.7343 12.7715 12.7715 13.5614 13.5614 13.9723 13.9723 k = 0.0000 0.0000 0.2235 ( 2893 PWs) bands (ev): -9.6798 -9.6798 -9.3291 -9.3291 -8.4247 -8.4247 -8.4172 -8.4172 -8.3796 -8.3796 -7.5334 -7.5334 -5.9906 -5.9906 -5.8757 -5.8757 -5.8699 -5.8699 -5.8544 -5.8544 -5.7679 -5.7679 -4.9343 -4.9343 0.6347 0.6347 3.8352 3.8352 4.3620 4.3620 4.7310 4.7310 6.9316 6.9316 7.0673 7.0673 7.1655 7.1655 8.4162 8.4162 10.7169 10.7169 12.7323 12.7323 13.4997 13.4997 13.9121 13.9121 k = 0.0000 0.0000 0.2359 ( 2892 PWs) bands (ev): -9.6787 -9.6787 -9.3286 -9.3286 -8.4243 -8.4243 -8.4159 -8.4159 -8.3803 -8.3803 -7.5348 -7.5348 -5.9889 -5.9889 -5.8750 -5.8750 -5.8697 -5.8697 -5.8541 -5.8541 -5.7711 -5.7711 -4.9340 -4.9340 0.5877 0.5877 3.9273 3.9273 4.3713 4.3713 4.7383 4.7383 6.9282 6.9282 7.0655 7.0655 7.1645 7.1645 8.3640 8.3640 10.7019 10.7019 12.6957 12.6957 13.4374 13.4374 13.8553 13.8553 k = 0.0000 0.0000 0.2483 ( 2900 PWs) bands (ev): -9.6777 -9.6777 -9.3281 -9.3281 -8.4238 -8.4238 -8.4146 -8.4146 -8.3810 -8.3810 -7.5361 -7.5361 -5.9871 -5.9871 -5.8743 -5.8743 -5.8695 -5.8695 -5.8537 -5.8537 -5.7743 -5.7743 -4.9336 -4.9336 0.5440 0.5440 4.0163 4.0163 4.3808 4.3808 4.7454 4.7454 6.9246 6.9246 7.0637 7.0637 7.1636 7.1636 8.3110 8.3110 10.6892 10.6892 12.6621 12.6621 13.3752 13.3752 13.8019 13.8019 k = 0.0000 0.0000 0.2608 ( 2896 PWs) bands (ev): -9.6767 -9.6767 -9.3276 -9.3276 -8.4234 -8.4234 -8.4133 -8.4133 -8.3818 -8.3818 -7.5373 -7.5373 -5.9854 -5.9854 -5.8735 -5.8735 -5.8693 -5.8693 -5.8534 -5.8534 -5.7774 -5.7774 -4.9333 -4.9333 0.5034 0.5034 4.1013 4.1013 4.3906 4.3906 4.7522 4.7522 6.9210 6.9210 7.0620 7.0620 7.1626 7.1626 8.2578 8.2578 10.6785 10.6785 12.6317 12.6317 13.3137 13.3137 13.7523 13.7523 k = 0.0000 0.0000 0.2732 ( 2900 PWs) bands (ev): -9.6757 -9.6757 -9.3272 -9.3272 -8.4230 -8.4230 -8.4120 -8.4120 -8.3826 -8.3826 -7.5385 -7.5385 -5.9838 -5.9838 -5.8726 -5.8726 -5.8692 -5.8692 -5.8531 -5.8531 -5.7805 -5.7805 -4.9330 -4.9330 0.4662 0.4662 4.1812 4.1812 4.4012 4.4012 4.7587 4.7587 6.9174 6.9174 7.0605 7.0605 7.1617 7.1617 8.2053 8.2053 10.6698 10.6698 12.6048 12.6048 13.2538 13.2538 13.7065 13.7065 k = 0.0000 0.0000 0.2856 ( 2900 PWs) bands (ev): -9.6749 -9.6749 -9.3267 -9.3267 -8.4227 -8.4227 -8.4107 -8.4107 -8.3834 -8.3834 -7.5396 -7.5396 -5.9823 -5.9823 -5.8717 -5.8717 -5.8690 -5.8690 -5.8529 -5.8529 -5.7835 -5.7835 -4.9327 -4.9327 0.4323 0.4323 4.2541 4.2541 4.4139 4.4139 4.7649 4.7649 6.9138 6.9138 7.0590 7.0590 7.1609 7.1609 8.1541 8.1541 10.6629 10.6629 12.5815 12.5815 13.1960 13.1960 13.6646 13.6646 k = 0.0000 0.0000 0.2980 ( 2900 PWs) bands (ev): -9.6740 -9.6740 -9.3263 -9.3263 -8.4223 -8.4223 -8.4094 -8.4094 -8.3842 -8.3842 -7.5406 -7.5406 -5.9809 -5.9809 -5.8707 -5.8707 -5.8689 -5.8689 -5.8526 -5.8526 -5.7865 -5.7865 -4.9325 -4.9325 0.4019 0.4019 4.3161 4.3161 4.4316 4.4316 4.7706 4.7706 6.9102 6.9102 7.0576 7.0576 7.1601 7.1601 8.1052 8.1052 10.6574 10.6574 12.5618 12.5618 13.1412 13.1412 13.6269 13.6269 k = 0.0000 0.0000 0.3104 ( 2908 PWs) bands (ev): -9.6733 -9.6733 -9.3260 -9.3260 -8.4220 -8.4220 -8.4081 -8.4081 -8.3850 -8.3850 -7.5415 -7.5415 -5.9796 -5.9796 -5.8697 -5.8697 -5.8687 -5.8687 -5.8524 -5.8524 -5.7892 -5.7892 -4.9322 -4.9322 0.3749 0.3749 4.3606 4.3606 4.4602 4.4602 4.7757 4.7757 6.9066 6.9066 7.0564 7.0564 7.1593 7.1593 8.0593 8.0593 10.6533 10.6533 12.5457 12.5457 13.0900 13.0900 13.5934 13.5934 k = 0.0000 0.0000 0.3228 ( 2900 PWs) bands (ev): -9.6727 -9.6727 -9.3257 -9.3257 -8.4217 -8.4217 -8.4069 -8.4069 -8.3858 -8.3858 -7.5424 -7.5424 -5.9784 -5.9784 -5.8688 -5.8688 -5.8686 -5.8686 -5.8522 -5.8522 -5.7917 -5.7917 -4.9320 -4.9320 0.3515 0.3515 4.3857 4.3857 4.5009 4.5009 4.7803 4.7803 6.9033 6.9033 7.0553 7.0553 7.1587 7.1587 8.0172 8.0172 10.6502 10.6502 12.5331 12.5331 13.0431 13.0431 13.5641 13.5641 k = 0.0000 0.0000 0.3353 ( 2900 PWs) bands (ev): -9.6721 -9.6721 -9.3254 -9.3254 -8.4215 -8.4215 -8.4058 -8.4058 -8.3867 -8.3867 -7.5431 -7.5431 -5.9774 -5.9774 -5.8685 -5.8685 -5.8679 -5.8679 -5.8520 -5.8520 -5.7940 -5.7940 -4.9319 -4.9319 0.3315 0.3315 4.3992 4.3992 4.5447 4.5447 4.7843 4.7843 6.9002 6.9002 7.0544 7.0544 7.1581 7.1581 7.9800 7.9800 10.6480 10.6480 12.5237 12.5237 13.0012 13.0012 13.5393 13.5393 k = 0.0000 0.0000 0.3477 ( 2900 PWs) bands (ev): -9.6716 -9.6716 -9.3252 -9.3252 -8.4213 -8.4213 -8.4048 -8.4048 -8.3874 -8.3874 -7.5437 -7.5437 -5.9766 -5.9766 -5.8684 -5.8684 -5.8671 -5.8671 -5.8518 -5.8518 -5.7959 -5.7959 -4.9317 -4.9317 0.3152 0.3152 4.4075 4.4075 4.5848 4.5848 4.7876 4.7876 6.8975 6.8975 7.0536 7.0536 7.1576 7.1576 7.9482 7.9482 10.6465 10.6465 12.5172 12.5172 12.9653 12.9653 13.5188 13.5188 k = 0.0000 0.0000 0.3601 ( 2900 PWs) bands (ev): -9.6713 -9.6713 -9.3250 -9.3250 -8.4211 -8.4211 -8.4039 -8.4039 -8.3881 -8.3881 -7.5441 -7.5441 -5.9759 -5.9759 -5.8684 -5.8684 -5.8664 -5.8664 -5.8517 -5.8517 -5.7975 -5.7975 -4.9316 -4.9316 0.3025 0.3025 4.4129 4.4129 4.6179 4.6179 4.7902 4.7902 6.8952 6.8952 7.0530 7.0530 7.1573 7.1573 7.9227 7.9227 10.6455 10.6455 12.5130 12.5130 12.9361 12.9361 13.5029 13.5029 k = 0.0000 0.0000 0.3725 ( 2900 PWs) bands (ev): -9.6710 -9.6710 -9.3249 -9.3249 -8.4210 -8.4210 -8.4033 -8.4033 -8.3886 -8.3886 -7.5445 -7.5445 -5.9754 -5.9754 -5.8683 -5.8683 -5.8659 -5.8659 -5.8516 -5.8516 -5.7987 -5.7987 -4.9315 -4.9315 0.2934 0.2934 4.4165 4.4165 4.6424 4.6424 4.7921 4.7921 6.8935 6.8935 7.0525 7.0525 7.1570 7.1570 7.9040 7.9040 10.6448 10.6448 12.5106 12.5106 12.9145 12.9145 13.4914 13.4914 k = 0.0000 0.0000 0.3849 ( 2908 PWs) bands (ev): -9.6708 -9.6708 -9.3248 -9.3248 -8.4210 -8.4210 -8.4028 -8.4028 -8.3889 -8.3889 -7.5447 -7.5447 -5.9751 -5.9751 -5.8683 -5.8683 -5.8656 -5.8656 -5.8516 -5.8516 -5.7994 -5.7994 -4.9314 -4.9314 0.2879 0.2879 4.4185 4.4185 4.6574 4.6574 4.7932 4.7932 6.8925 6.8925 7.0522 7.0522 7.1568 7.1568 7.8926 7.8926 10.6445 10.6445 12.5094 12.5094 12.9012 12.9012 13.4846 13.4846 k = 0.0000 0.0000 0.3973 ( 2900 PWs) bands (ev): -9.6708 -9.6708 -9.3248 -9.3248 -8.4209 -8.4209 -8.4027 -8.4027 -8.3890 -8.3890 -7.5448 -7.5448 -5.9751 -5.9751 -5.8683 -5.8683 -5.8655 -5.8655 -5.8516 -5.8516 -5.7996 -5.7996 -4.9314 -4.9314 0.2861 0.2861 4.4192 4.4192 4.6624 4.6624 4.7936 4.7936 6.8921 6.8921 7.0522 7.0522 7.1567 7.1567 7.8888 7.8888 10.6444 10.6444 12.5091 12.5091 12.8967 12.8967 13.4823 13.4823 k = 0.0000 0.0000 0.3973 ( 2900 PWs) bands (ev): -9.6708 -9.6708 -9.3248 -9.3248 -8.4209 -8.4209 -8.4027 -8.4027 -8.3890 -8.3890 -7.5448 -7.5448 -5.9751 -5.9751 -5.8683 -5.8683 -5.8655 -5.8655 -5.8516 -5.8516 -5.7996 -5.7996 -4.9314 -4.9314 0.2861 0.2861 4.4192 4.4192 4.6624 4.6624 4.7936 4.7936 6.8921 6.8921 7.0522 7.0522 7.1567 7.1567 7.8888 7.8888 10.6444 10.6444 12.5091 12.5091 12.8967 12.8967 13.4823 13.4823 k = 0.0000 0.0125 0.3973 ( 2900 PWs) bands (ev): -9.6706 -9.6706 -9.3248 -9.3248 -8.4209 -8.4209 -8.4031 -8.4031 -8.3884 -8.3884 -7.5448 -7.5448 -5.9750 -5.9750 -5.8697 -5.8697 -5.8640 -5.8640 -5.8517 -5.8517 -5.7993 -5.7993 -4.9317 -4.9317 0.2869 0.2869 4.4190 4.4190 4.6574 4.6574 4.7933 4.7933 6.8904 6.8904 7.0516 7.0516 7.1601 7.1601 7.8889 7.8889 10.6475 10.6475 12.4916 12.4916 12.9024 12.9024 13.4964 13.4964 k = 0.0000 0.0250 0.3973 ( 2900 PWs) bands (ev): -9.6701 -9.6701 -9.3247 -9.3247 -8.4209 -8.4209 -8.4041 -8.4041 -8.3867 -8.3867 -7.5449 -7.5449 -5.9748 -5.9748 -5.8719 -5.8719 -5.8617 -5.8617 -5.8521 -5.8521 -5.7981 -5.7981 -4.9324 -4.9324 0.2892 0.2892 4.4186 4.4186 4.6425 4.6425 4.7924 4.7924 6.8855 6.8855 7.0497 7.0497 7.1700 7.1700 7.8891 7.8891 10.6568 10.6568 12.4440 12.4440 12.9168 12.9168 13.5368 13.5368 k = 0.0000 0.0375 0.3973 ( 2892 PWs) bands (ev): -9.6692 -9.6692 -9.3246 -9.3246 -8.4208 -8.4208 -8.4054 -8.4054 -8.3843 -8.3843 -7.5450 -7.5450 -5.9745 -5.9745 -5.8741 -5.8741 -5.8597 -5.8597 -5.8523 -5.8523 -5.7963 -5.7963 -4.9337 -4.9337 0.2932 0.2932 4.4178 4.4178 4.6181 4.6181 4.7912 4.7912 6.8779 6.8779 7.0462 7.0462 7.1861 7.1861 7.8895 7.8895 10.6721 10.6721 12.3761 12.3761 12.9353 12.9353 13.5984 13.5984 k = 0.0000 0.0500 0.3973 ( 2896 PWs) bands (ev): -9.6679 -9.6679 -9.3244 -9.3244 -8.4207 -8.4207 -8.4068 -8.4068 -8.3813 -8.3813 -7.5452 -7.5452 -5.9741 -5.9741 -5.8762 -5.8762 -5.8586 -5.8586 -5.8517 -5.8517 -5.7938 -5.7938 -4.9355 -4.9355 0.2986 0.2986 4.4165 4.4165 4.5845 4.5845 4.7898 4.7898 6.8680 6.8680 7.0407 7.0407 7.2077 7.2077 7.8900 7.8900 10.6930 10.6930 12.2964 12.2964 12.9555 12.9555 13.6751 13.6751 k = 0.0000 0.0625 0.3973 ( 2888 PWs) bands (ev): -9.6663 -9.6663 -9.3243 -9.3243 -8.4206 -8.4206 -8.4083 -8.4083 -8.3777 -8.3777 -7.5455 -7.5455 -5.9736 -5.9736 -5.8782 -5.8782 -5.8590 -5.8590 -5.8498 -5.8498 -5.7908 -5.7908 -4.9378 -4.9378 0.3057 0.3057 4.4144 4.4144 4.5426 4.5426 4.7887 4.7887 6.8562 6.8562 7.0330 7.0330 7.2338 7.2338 7.8906 7.8906 10.7191 10.7191 12.2112 12.2112 12.9769 12.9769 13.7619 13.7619 k = 0.0000 0.0750 0.3973 ( 2890 PWs) bands (ev): -9.6644 -9.6644 -9.3241 -9.3241 -8.4205 -8.4205 -8.4097 -8.4097 -8.3737 -8.3737 -7.5459 -7.5459 -5.9730 -5.9730 -5.8801 -5.8801 -5.8600 -5.8600 -5.8471 -5.8471 -5.7874 -5.7874 -4.9407 -4.9407 0.3143 0.3143 4.4107 4.4107 4.4936 4.4936 4.7880 4.7880 6.8428 6.8428 7.0233 7.0233 7.2635 7.2635 7.8913 7.8913 10.7497 10.7497 12.1247 12.1247 12.9998 12.9998 13.8545 13.8545 k = 0.0000 0.0875 0.3973 ( 2896 PWs) bands (ev): -9.6621 -9.6621 -9.3240 -9.3240 -8.4204 -8.4204 -8.4110 -8.4110 -8.3692 -8.3692 -7.5465 -7.5465 -5.9722 -5.9722 -5.8820 -5.8820 -5.8612 -5.8612 -5.8441 -5.8441 -5.7835 -5.7835 -4.9441 -4.9441 0.3244 0.3244 4.4012 4.4012 4.4424 4.4424 4.7883 4.7883 6.8277 6.8277 7.0115 7.0115 7.2957 7.2957 7.8921 7.8921 10.7840 10.7840 12.0401 12.0401 13.0246 13.0246 13.9501 13.9501 k = 0.0000 0.1000 0.3973 ( 2898 PWs) bands (ev): -9.6595 -9.6595 -9.3240 -9.3240 -8.4203 -8.4203 -8.4123 -8.4123 -8.3642 -8.3642 -7.5473 -7.5473 -5.9714 -5.9714 -5.8839 -5.8839 -5.8623 -5.8623 -5.8409 -5.8409 -5.7793 -5.7793 -4.9480 -4.9480 0.3361 0.3361 4.3605 4.3605 4.4151 4.4151 4.7899 4.7899 6.8108 6.8108 6.9977 6.9977 7.3297 7.3297 7.8929 7.8929 10.8207 10.8207 11.9602 11.9602 13.0516 13.0516 14.0466 14.0466 k = 0.0000 0.1125 0.3973 ( 2894 PWs) bands (ev): -9.6566 -9.6566 -9.3241 -9.3241 -8.4202 -8.4202 -8.4134 -8.4134 -8.3586 -8.3586 -7.5482 -7.5482 -5.9704 -5.9704 -5.8858 -5.8858 -5.8631 -5.8631 -5.8377 -5.8377 -5.7748 -5.7748 -4.9526 -4.9526 0.3493 0.3493 4.2943 4.2943 4.4067 4.4067 4.7932 4.7932 6.7922 6.7922 6.9819 6.9819 7.3647 7.3647 7.8938 7.8938 10.8585 10.8585 11.8875 11.8875 13.0811 13.0811 14.1425 14.1425 k = 0.0000 0.1250 0.3973 ( 2890 PWs) bands (ev): -9.6534 -9.6534 -9.3242 -9.3242 -8.4202 -8.4202 -8.4144 -8.4144 -8.3524 -8.3524 -7.5495 -7.5495 -5.9694 -5.9694 -5.8878 -5.8878 -5.8635 -5.8635 -5.8344 -5.8344 -5.7699 -5.7699 -4.9577 -4.9577 0.3640 0.3640 4.2203 4.2203 4.4001 4.4001 4.7985 4.7985 6.7716 6.7716 6.9642 6.9642 7.4000 7.4000 7.8946 7.8946 10.8955 10.8955 11.8246 11.8246 13.1133 13.1133 14.2365 14.2365 k = 0.0000 0.1375 0.3973 ( 2894 PWs) bands (ev): -9.6499 -9.6499 -9.3246 -9.3246 -8.4202 -8.4202 -8.4152 -8.4152 -8.3457 -8.3457 -7.5510 -7.5510 -5.9683 -5.9683 -5.8899 -5.8899 -5.8635 -5.8635 -5.8310 -5.8310 -5.7648 -5.7648 -4.9635 -4.9635 0.3802 0.3802 4.1413 4.1413 4.3934 4.3934 4.8059 4.8059 6.7488 6.7488 6.9445 6.9445 7.4350 7.4350 7.8954 7.8954 10.9294 10.9294 11.7742 11.7742 13.1481 13.1481 14.3278 14.3278 k = 0.0000 0.1500 0.3973 ( 2898 PWs) bands (ev): -9.6460 -9.6460 -9.3251 -9.3251 -8.4203 -8.4203 -8.4159 -8.4159 -8.3382 -8.3382 -7.5528 -7.5528 -5.9672 -5.9672 -5.8922 -5.8922 -5.8630 -5.8630 -5.8277 -5.8277 -5.7593 -5.7593 -4.9699 -4.9699 0.3979 0.3979 4.0582 4.0582 4.3865 4.3865 4.8156 4.8156 6.7236 6.7236 6.9228 6.9228 7.4692 7.4692 7.8961 7.8961 10.9579 10.9579 11.7389 11.7389 13.1857 13.1857 14.4156 14.4156 k = 0.0000 0.1625 0.3973 ( 2900 PWs) bands (ev): -9.6419 -9.6419 -9.3258 -9.3258 -8.4204 -8.4204 -8.4165 -8.4165 -8.3301 -8.3301 -7.5551 -7.5551 -5.9660 -5.9660 -5.8945 -5.8945 -5.8618 -5.8618 -5.8245 -5.8245 -5.7536 -5.7536 -4.9769 -4.9769 0.4170 0.4170 3.9718 3.9718 4.3794 4.3794 4.8276 4.8276 6.6959 6.6959 6.8992 6.8992 7.5020 7.5020 7.8968 7.8968 10.9789 10.9789 11.7209 11.7209 13.2260 13.2260 14.4992 14.4992 k = 0.0000 0.1750 0.3973 ( 2894 PWs) bands (ev): -9.6376 -9.6376 -9.3268 -9.3268 -8.4207 -8.4207 -8.4168 -8.4168 -8.3211 -8.3211 -7.5578 -7.5578 -5.9648 -5.9648 -5.8969 -5.8969 -5.8601 -5.8601 -5.8212 -5.8212 -5.7475 -5.7475 -4.9846 -4.9846 0.4377 0.4377 3.8826 3.8826 4.3726 4.3726 4.8420 4.8420 6.6656 6.6656 6.8737 6.8737 7.5333 7.5333 7.8974 7.8974 10.9914 10.9914 11.7210 11.7210 13.2689 13.2689 14.5780 14.5780 k = 0.0000 0.1875 0.3973 ( 2898 PWs) bands (ev): -9.6329 -9.6329 -9.3281 -9.3281 -8.4210 -8.4210 -8.4171 -8.4171 -8.3114 -8.3114 -7.5609 -7.5609 -5.9637 -5.9637 -5.8994 -5.8994 -5.8579 -5.8579 -5.8180 -5.8180 -5.7411 -5.7411 -4.9930 -4.9930 0.4598 0.4598 3.7910 3.7910 4.3662 4.3662 4.8587 4.8587 6.6323 6.6323 6.8463 6.8463 7.5626 7.5626 7.8979 7.8979 10.9963 10.9963 11.7383 11.7383 13.3144 13.3144 14.6513 14.6513 k = 0.0000 0.2000 0.3973 ( 2890 PWs) bands (ev): -9.6280 -9.6280 -9.3296 -9.3296 -8.4214 -8.4214 -8.4173 -8.4173 -8.3009 -8.3009 -7.5646 -7.5646 -5.9626 -5.9626 -5.9019 -5.9019 -5.8551 -5.8551 -5.8148 -5.8148 -5.7344 -5.7344 -5.0020 -5.0020 0.4834 0.4834 3.6976 3.6976 4.3608 4.3608 4.8776 4.8776 6.5961 6.5961 6.8169 6.8169 7.5899 7.5899 7.8983 7.8983 10.9955 10.9955 11.7702 11.7702 13.3624 13.3624 14.7185 14.7185 k = 0.0000 0.2125 0.3973 ( 2890 PWs) bands (ev): -9.6229 -9.6229 -9.3315 -9.3315 -8.4218 -8.4218 -8.4174 -8.4174 -8.2896 -8.2896 -7.5688 -7.5688 -5.9615 -5.9615 -5.9044 -5.9044 -5.8518 -5.8518 -5.8117 -5.8117 -5.7273 -5.7273 -5.0118 -5.0118 0.5085 0.5085 3.6028 3.6028 4.3566 4.3566 4.8985 4.8985 6.5568 6.5568 6.7858 6.7858 7.6150 7.6150 7.8985 7.8985 10.9919 10.9919 11.8135 11.8135 13.4126 13.4126 14.7788 14.7788 k = 0.0000 0.2250 0.3973 ( 2886 PWs) bands (ev): -9.6175 -9.6175 -9.3338 -9.3338 -8.4222 -8.4222 -8.4175 -8.4175 -8.2774 -8.2774 -7.5736 -7.5736 -5.9605 -5.9605 -5.9069 -5.9069 -5.8481 -5.8481 -5.8087 -5.8087 -5.7199 -5.7199 -5.0222 -5.0222 0.5351 0.5351 3.5067 3.5067 4.3540 4.3540 4.9215 4.9215 6.5143 6.5143 6.7528 6.7528 7.6379 7.6379 7.8986 7.8986 10.9883 10.9883 11.8646 11.8646 13.4650 13.4650 14.8318 14.8318 k = 0.0000 0.2375 0.3973 ( 2878 PWs) bands (ev): -9.6119 -9.6119 -9.3364 -9.3364 -8.4226 -8.4226 -8.4176 -8.4176 -8.2643 -8.2643 -7.5790 -7.5790 -5.9596 -5.9596 -5.9093 -5.9093 -5.8439 -5.8439 -5.8057 -5.8057 -5.7119 -5.7119 -5.0334 -5.0334 0.5632 0.5632 3.4100 3.4100 4.3533 4.3533 4.9463 4.9463 6.4686 6.4686 6.7181 6.7181 7.6587 7.6587 7.8986 7.8986 10.9867 10.9867 11.9206 11.9206 13.5193 13.5193 14.8771 14.8771 k = 0.0000 0.2500 0.3973 ( 2878 PWs) bands (ev): -9.6061 -9.6061 -9.3393 -9.3393 -8.4229 -8.4229 -8.4177 -8.4177 -8.2504 -8.2504 -7.5851 -7.5851 -5.9587 -5.9587 -5.9118 -5.9118 -5.8394 -5.8394 -5.8028 -5.8028 -5.7035 -5.7035 -5.0453 -5.0453 0.5928 0.5928 3.3127 3.3127 4.3548 4.3548 4.9729 4.9729 6.4196 6.4196 6.6819 6.6819 7.6774 7.6774 7.8985 7.8985 10.9886 10.9886 11.9788 11.9788 13.5752 13.5752 14.9145 14.9145 k = 0.0000 0.2625 0.3973 ( 2878 PWs) bands (ev): -9.6001 -9.6001 -9.3427 -9.3427 -8.4232 -8.4232 -8.4179 -8.4179 -8.2357 -8.2357 -7.5919 -7.5919 -5.9579 -5.9579 -5.9141 -5.9141 -5.8346 -5.8346 -5.8000 -5.8000 -5.6945 -5.6945 -5.0579 -5.0579 0.6240 0.6240 3.2152 3.2152 4.3588 4.3588 5.0011 5.0011 6.3674 6.3674 6.6442 6.6442 7.6941 7.6941 7.8982 7.8982 10.9952 10.9952 12.0372 12.0372 13.6325 13.6325 14.9443 14.9443 k = 0.0000 0.2750 0.3973 ( 2874 PWs) bands (ev): -9.5939 -9.5939 -9.3464 -9.3464 -8.4235 -8.4235 -8.4180 -8.4180 -8.2202 -8.2202 -7.5994 -7.5994 -5.9572 -5.9572 -5.9165 -5.9165 -5.8297 -5.8297 -5.7973 -5.7973 -5.6849 -5.6849 -5.0712 -5.0712 0.6568 0.6568 3.1177 3.1177 4.3656 4.3656 5.0309 5.0309 6.3121 6.3121 6.6051 6.6051 7.7092 7.7092 7.8977 7.8977 11.0070 11.0070 12.0938 12.0938 13.6909 13.6909 14.9674 14.9674 k = 0.0000 0.2875 0.3973 ( 2878 PWs) bands (ev): -9.5876 -9.5876 -9.3505 -9.3505 -8.4238 -8.4238 -8.4182 -8.4182 -8.2039 -8.2039 -7.6076 -7.6076 -5.9566 -5.9566 -5.9187 -5.9187 -5.8246 -5.8246 -5.7947 -5.7947 -5.6747 -5.6747 -5.0852 -5.0852 0.6911 0.6911 3.0205 3.0205 4.3753 4.3753 5.0621 5.0621 6.2539 6.2539 6.5648 6.5648 7.7226 7.7226 7.8971 7.8971 11.0241 11.0241 12.1470 12.1470 13.7501 13.7501 14.9849 14.9849 k = 0.0000 0.3000 0.3973 ( 2874 PWs) bands (ev): -9.5810 -9.5810 -9.3549 -9.3549 -8.4240 -8.4240 -8.4183 -8.4183 -8.1868 -8.1868 -7.6167 -7.6167 -5.9560 -5.9560 -5.9209 -5.9209 -5.8195 -5.8195 -5.7922 -5.7922 -5.6638 -5.6638 -5.0999 -5.0999 0.7271 0.7271 2.9237 2.9237 4.3881 4.3881 5.0946 5.0946 6.1929 6.1929 6.5234 6.5234 7.7348 7.7348 7.8962 7.8962 11.0468 11.0468 12.1952 12.1952 13.8098 13.8098 14.9983 14.9983 k = 0.0000 0.3125 0.3973 ( 2872 PWs) bands (ev): -9.5743 -9.5743 -9.3597 -9.3597 -8.4242 -8.4242 -8.4186 -8.4186 -8.1690 -8.1690 -7.6264 -7.6264 -5.9555 -5.9555 -5.9230 -5.9230 -5.8145 -5.8145 -5.7897 -5.7897 -5.6522 -5.6522 -5.1152 -5.1152 0.7648 0.7648 2.8277 2.8277 4.4041 4.4041 5.1283 5.1283 6.1296 6.1296 6.4811 6.4811 7.7457 7.7457 7.8952 7.8952 11.0748 11.0748 12.2372 12.2372 13.8701 13.8701 15.0091 15.0091 k = 0.0000 0.3250 0.3973 ( 2876 PWs) bands (ev): -9.5675 -9.5675 -9.3649 -9.3649 -8.4243 -8.4243 -8.4188 -8.4188 -8.1506 -8.1506 -7.6370 -7.6370 -5.9550 -5.9550 -5.9251 -5.9251 -5.8096 -5.8096 -5.7874 -5.7874 -5.6398 -5.6398 -5.1311 -5.1311 0.8042 0.8042 2.7325 2.7325 4.4234 4.4234 5.1629 5.1629 6.0641 6.0641 6.4378 6.4378 7.7557 7.7557 7.8939 7.8939 11.1080 11.1080 12.2718 12.2718 13.9306 13.9306 15.0187 15.0187 k = 0.0000 0.3375 0.3973 ( 2876 PWs) bands (ev): -9.5605 -9.5605 -9.3704 -9.3704 -8.4244 -8.4244 -8.4190 -8.4190 -8.1316 -8.1316 -7.6484 -7.6484 -5.9545 -5.9545 -5.9270 -5.9270 -5.8049 -5.8049 -5.7852 -5.7852 -5.6267 -5.6267 -5.1477 -5.1477 0.8454 0.8454 2.6383 2.6383 4.4462 4.4462 5.1985 5.1985 5.9970 5.9970 6.3938 6.3938 7.7648 7.7648 7.8924 7.8924 11.1460 11.1460 12.2981 12.2981 13.9915 13.9915 15.0280 15.0280 k = 0.0000 0.3500 0.3973 ( 2874 PWs) bands (ev): -9.5534 -9.5534 -9.3761 -9.3761 -8.4245 -8.4245 -8.4193 -8.4193 -8.1121 -8.1121 -7.6605 -7.6605 -5.9540 -5.9540 -5.9289 -5.9289 -5.8005 -5.8005 -5.7832 -5.7832 -5.6128 -5.6128 -5.1648 -5.1648 0.8885 0.8885 2.5454 2.5454 4.4724 4.4724 5.2346 5.2346 5.9287 5.9287 6.3490 6.3490 7.7733 7.7733 7.8906 7.8906 11.1886 11.1886 12.3153 12.3153 14.0528 14.0528 15.0375 15.0375 k = 0.0000 0.3625 0.3973 ( 2876 PWs) bands (ev): -9.5462 -9.5462 -9.3822 -9.3822 -8.4245 -8.4245 -8.4196 -8.4196 -8.0921 -8.0921 -7.6735 -7.6735 -5.9535 -5.9535 -5.9307 -5.9307 -5.7963 -5.7963 -5.7813 -5.7813 -5.5981 -5.5981 -5.1824 -5.1824 0.9334 0.9334 2.4537 2.4537 4.5020 4.5020 5.2708 5.2708 5.8600 5.8600 6.3037 6.3037 7.7812 7.7812 7.8886 7.8886 11.2352 11.2352 12.3230 12.3230 14.1148 14.1148 15.0468 15.0468 k = 0.0000 0.3750 0.3973 ( 2876 PWs) bands (ev): -9.5388 -9.5388 -9.3885 -9.3885 -8.4245 -8.4245 -8.4199 -8.4199 -8.0717 -8.0717 -7.6872 -7.6872 -5.9530 -5.9530 -5.9325 -5.9325 -5.7925 -5.7925 -5.7795 -5.7795 -5.5827 -5.5827 -5.2006 -5.2006 0.9802 0.9802 2.3636 2.3636 4.5351 4.5351 5.3065 5.3065 5.7918 5.7918 6.2579 6.2579 7.7887 7.7887 7.8863 7.8863 11.2856 11.2856 12.3211 12.3211 14.1776 14.1776 15.0552 15.0552 k = 0.0000 0.3875 0.3973 ( 2882 PWs) bands (ev): -9.5314 -9.5314 -9.3951 -9.3951 -8.4244 -8.4244 -8.4202 -8.4202 -8.0509 -8.0509 -7.7017 -7.7017 -5.9525 -5.9525 -5.9341 -5.9341 -5.7890 -5.7890 -5.7779 -5.7779 -5.5666 -5.5666 -5.2192 -5.2192 1.0291 1.0291 2.2750 2.2750 4.5717 4.5717 5.3404 5.3404 5.7257 5.7257 6.2117 6.2117 7.7958 7.7958 7.8837 7.8837 11.3394 11.3394 12.3098 12.3098 14.2415 14.2415 15.0614 15.0614 k = 0.0000 0.4000 0.3973 ( 2880 PWs) bands (ev): -9.5238 -9.5238 -9.4019 -9.4019 -8.4244 -8.4244 -8.4205 -8.4205 -8.0300 -8.0300 -7.7169 -7.7169 -5.9520 -5.9520 -5.9357 -5.9357 -5.7858 -5.7858 -5.7764 -5.7764 -5.5498 -5.5498 -5.2382 -5.2382 1.0799 1.0799 2.1881 2.1881 4.6116 4.6116 5.3693 5.3693 5.6652 5.6652 6.1652 6.1652 7.8025 7.8025 7.8809 7.8809 11.3961 11.3961 12.2895 12.2895 14.3064 14.3064 15.0638 15.0638 k = 0.0000 0.4125 0.3973 ( 2888 PWs) bands (ev): -9.5162 -9.5162 -9.4089 -9.4089 -8.4243 -8.4243 -8.4208 -8.4208 -8.0088 -8.0088 -7.7329 -7.7329 -5.9514 -5.9514 -5.9372 -5.9372 -5.7830 -5.7830 -5.7752 -5.7752 -5.5324 -5.5324 -5.2576 -5.2576 1.1329 1.1329 2.1031 2.1031 4.6547 4.6547 5.3861 5.3861 5.6175 5.6175 6.1185 6.1185 7.8090 7.8090 7.8777 7.8777 11.4552 11.4552 12.2609 12.2609 14.3723 14.3723 15.0607 15.0607 k = 0.0000 0.4250 0.3973 ( 2888 PWs) bands (ev): -9.5085 -9.5085 -9.4161 -9.4161 -8.4242 -8.4242 -8.4211 -8.4211 -7.9876 -7.9876 -7.7495 -7.7495 -5.9507 -5.9507 -5.9387 -5.9387 -5.7805 -5.7805 -5.7741 -5.7741 -5.5144 -5.5144 -5.2772 -5.2772 1.1879 1.1879 2.0199 2.0199 4.7011 4.7011 5.3785 5.3785 5.5953 5.5953 6.0716 6.0716 7.8153 7.8153 7.8743 7.8743 11.5165 11.5165 12.2248 12.2248 14.4390 14.4390 15.0507 15.0507 k = 0.0000 0.4375 0.3973 ( 2876 PWs) bands (ev): -9.5007 -9.5007 -9.4234 -9.4234 -8.4240 -8.4240 -8.4214 -8.4214 -7.9663 -7.9663 -7.7668 -7.7668 -5.9501 -5.9501 -5.9400 -5.9400 -5.7784 -5.7784 -5.7732 -5.7732 -5.4959 -5.4959 -5.2971 -5.2971 1.2451 1.2451 1.9387 1.9387 4.7505 4.7505 5.3422 5.3422 5.6031 5.6031 6.0246 6.0246 7.8213 7.8213 7.8707 7.8707 11.5794 11.5794 12.1822 12.1822 14.5062 14.5062 15.0328 15.0328 k = 0.0000 0.4500 0.3973 ( 2876 PWs) bands (ev): -9.4930 -9.4930 -9.4309 -9.4309 -8.4238 -8.4238 -8.4217 -8.4217 -7.9450 -7.9450 -7.7848 -7.7848 -5.9493 -5.9493 -5.9413 -5.9413 -5.7766 -5.7766 -5.7726 -5.7726 -5.4770 -5.4770 -5.3172 -5.3172 1.3045 1.3045 1.8596 1.8596 4.8028 4.8028 5.2883 5.2883 5.6300 5.6300 5.9777 5.9777 7.8272 7.8272 7.8668 7.8668 11.6435 11.6435 12.1339 12.1339 14.5733 14.5733 15.0066 15.0066 k = 0.0000 0.4625 0.3973 ( 2876 PWs) bands (ev): -9.4851 -9.4851 -9.4385 -9.4385 -8.4236 -8.4236 -8.4220 -8.4220 -7.9239 -7.9239 -7.8033 -7.8033 -5.9486 -5.9486 -5.9426 -5.9426 -5.7751 -5.7751 -5.7721 -5.7721 -5.4577 -5.4577 -5.3374 -5.3374 1.3661 1.3661 1.7825 1.7825 4.8578 4.8578 5.2273 5.2273 5.6660 5.6660 5.9310 5.9310 7.8329 7.8329 7.8626 7.8626 11.7083 11.7083 12.0808 12.0808 14.6397 14.6397 14.9721 14.9721 k = 0.0000 0.4750 0.3973 ( 2880 PWs) bands (ev): -9.4773 -9.4773 -9.4461 -9.4461 -8.4234 -8.4234 -8.4223 -8.4223 -7.9030 -7.9030 -7.8224 -7.8224 -5.9477 -5.9477 -5.9437 -5.9437 -5.7739 -5.7739 -5.7720 -5.7720 -5.4381 -5.4381 -5.3576 -5.3576 1.4300 1.4300 1.7076 1.7076 4.9153 4.9153 5.1637 5.1637 5.7063 5.7063 5.8846 5.8846 7.8383 7.8383 7.8582 7.8582 11.7734 11.7734 12.0239 12.0239 14.7047 14.7047 14.9299 14.9299 k = 0.0000 0.4875 0.3973 ( 2888 PWs) bands (ev): -9.4695 -9.4695 -9.4539 -9.4539 -8.4232 -8.4232 -8.4226 -8.4226 -7.8823 -7.8823 -7.8419 -7.8419 -5.9468 -5.9468 -5.9448 -5.9448 -5.7730 -5.7730 -5.7720 -5.7720 -5.4182 -5.4182 -5.3779 -5.3779 1.4960 1.4960 1.6348 1.6348 4.9751 4.9751 5.0998 5.0998 5.7491 5.7491 5.8386 5.8386 7.8436 7.8436 7.8535 7.8535 11.8380 11.8380 11.9640 11.9640 14.7672 14.7672 14.8809 14.8809 k = 0.0000 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.4617 -9.4617 -9.4617 -9.4617 -8.4229 -8.4229 -8.4229 -8.4229 -7.8619 -7.8619 -7.8619 -7.8619 -5.9458 -5.9458 -5.9458 -5.9458 -5.7724 -5.7724 -5.7724 -5.7724 -5.3981 -5.3981 -5.3981 -5.3981 1.5643 1.5643 1.5643 1.5643 5.0367 5.0367 5.0367 5.0367 5.7933 5.7933 5.7933 5.7933 7.8487 7.8487 7.8487 7.8487 11.9018 11.9018 11.9018 11.9018 14.8263 14.8263 14.8263 14.8263 k = 0.0000 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.4617 -9.4617 -9.4617 -9.4617 -8.4229 -8.4229 -8.4229 -8.4229 -7.8619 -7.8619 -7.8619 -7.8619 -5.9458 -5.9458 -5.9458 -5.9458 -5.7724 -5.7724 -5.7724 -5.7724 -5.3981 -5.3981 -5.3981 -5.3981 1.5643 1.5643 1.5643 1.5643 5.0367 5.0367 5.0367 5.0367 5.7933 5.7933 5.7933 5.7933 7.8487 7.8487 7.8487 7.8487 11.9018 11.9018 11.9018 11.9018 14.8263 14.8263 14.8263 14.8263 k = 0.0125 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4662 -9.4662 -9.4570 -9.4570 -8.4232 -8.4232 -8.4224 -8.4224 -7.8719 -7.8719 -7.8518 -7.8518 -5.9464 -5.9464 -5.9451 -5.9451 -5.7728 -5.7728 -5.7720 -5.7720 -5.4033 -5.4033 -5.3926 -5.3926 1.5630 1.5630 1.5635 1.5635 5.0075 5.0075 5.0550 5.0550 5.7829 5.7829 5.8186 5.8186 7.8433 7.8433 7.8516 7.8516 11.8996 11.8996 11.9058 11.9058 14.7947 14.7947 14.8462 14.8462 k = 0.0250 0.5000 0.3973 ( 2884 PWs) bands (ev): -9.4706 -9.4706 -9.4522 -9.4522 -8.4234 -8.4234 -8.4218 -8.4218 -7.8816 -7.8816 -7.8417 -7.8417 -5.9466 -5.9466 -5.9441 -5.9441 -5.7734 -5.7734 -5.7717 -5.7717 -5.4082 -5.4082 -5.3867 -5.3867 1.5594 1.5594 1.5604 1.5604 4.9700 4.9700 5.0607 5.0607 5.7890 5.7890 5.8562 5.8562 7.8355 7.8355 7.8522 7.8522 11.8991 11.8991 11.9116 11.9116 14.7522 14.7522 14.8537 14.8537 k = 0.0375 0.5000 0.3973 ( 2884 PWs) bands (ev): -9.4748 -9.4748 -9.4473 -9.4473 -8.4234 -8.4234 -8.4211 -8.4211 -7.8912 -7.8912 -7.8315 -7.8315 -5.9466 -5.9466 -5.9429 -5.9429 -5.7739 -5.7739 -5.7715 -5.7715 -5.4128 -5.4128 -5.3807 -5.3807 1.5537 1.5537 1.5552 1.5552 4.9269 4.9269 5.0540 5.0540 5.8113 5.8113 5.9033 5.9033 7.8252 7.8252 7.8503 7.8503 11.9004 11.9004 11.9190 11.9190 14.6998 14.6998 14.8485 14.8485 k = 0.0500 0.5000 0.3973 ( 2884 PWs) bands (ev): -9.4788 -9.4788 -9.4424 -9.4424 -8.4231 -8.4231 -8.4202 -8.4202 -7.9004 -7.9004 -7.8213 -7.8213 -5.9462 -5.9462 -5.9415 -5.9415 -5.7746 -5.7746 -5.7713 -5.7713 -5.4170 -5.4170 -5.3743 -5.3743 1.5457 1.5457 1.5479 1.5479 4.8806 4.8806 5.0366 5.0366 5.8481 5.8481 5.9575 5.9575 7.8126 7.8126 7.8460 7.8460 11.9036 11.9036 11.9282 11.9282 14.6385 14.6385 14.8304 14.8304 k = 0.0625 0.5000 0.3973 ( 2884 PWs) bands (ev): -9.4826 -9.4826 -9.4375 -9.4375 -8.4227 -8.4227 -8.4192 -8.4192 -7.9093 -7.9093 -7.8112 -7.8112 -5.9456 -5.9456 -5.9399 -5.9399 -5.7752 -5.7752 -5.7713 -5.7713 -5.4208 -5.4208 -5.3678 -5.3678 1.5354 1.5354 1.5383 1.5383 4.8330 4.8330 5.0113 5.0113 5.8966 5.8966 6.0171 6.0171 7.7976 7.7976 7.8392 7.8392 11.9085 11.9085 11.9391 11.9391 14.5695 14.5695 14.7999 14.7999 k = 0.0750 0.5000 0.3973 ( 2884 PWs) bands (ev): -9.4861 -9.4861 -9.4326 -9.4326 -8.4220 -8.4220 -8.4182 -8.4182 -7.9178 -7.9178 -7.8012 -7.8012 -5.9446 -5.9446 -5.9382 -5.9382 -5.7760 -5.7760 -5.7713 -5.7713 -5.4242 -5.4242 -5.3611 -5.3611 1.5229 1.5229 1.5266 1.5266 4.7856 4.7856 4.9809 4.9809 5.9540 5.9540 6.0807 6.0807 7.7801 7.7801 7.8301 7.8301 11.9152 11.9152 11.9515 11.9515 14.4941 14.4941 14.7574 14.7574 k = 0.0875 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4893 -9.4893 -9.4278 -9.4278 -8.4211 -8.4211 -8.4170 -8.4170 -7.9259 -7.9259 -7.7914 -7.7914 -5.9433 -5.9433 -5.9363 -5.9363 -5.7767 -5.7767 -5.7714 -5.7714 -5.4272 -5.4272 -5.3543 -5.3543 1.5082 1.5082 1.5128 1.5128 4.7393 4.7393 4.9476 4.9476 6.0180 6.0180 6.1471 6.1471 7.7604 7.7604 7.8184 7.8184 11.9236 11.9236 11.9655 11.9655 14.4135 14.4135 14.7041 14.7041 k = 0.1000 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4923 -9.4923 -9.4231 -9.4231 -8.4200 -8.4200 -8.4158 -8.4158 -7.9336 -7.9336 -7.7819 -7.7819 -5.9416 -5.9416 -5.9343 -5.9343 -5.7775 -5.7775 -5.7717 -5.7717 -5.4298 -5.4298 -5.3474 -5.3474 1.4912 1.4912 1.4968 1.4968 4.6950 4.6950 4.9133 4.9133 6.0867 6.0867 6.2155 6.2155 7.7382 7.7382 7.8044 7.8044 11.9338 11.9338 11.9810 11.9810 14.3290 14.3290 14.6414 14.6414 k = 0.1125 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4949 -9.4949 -9.4186 -9.4186 -8.4186 -8.4186 -8.4146 -8.4146 -7.9407 -7.9407 -7.7726 -7.7726 -5.9395 -5.9395 -5.9322 -5.9322 -5.7783 -5.7783 -5.7720 -5.7720 -5.4320 -5.4320 -5.3403 -5.3403 1.4719 1.4719 1.4786 1.4786 4.6533 4.6533 4.8793 4.8793 6.1587 6.1587 6.2853 6.2853 7.7138 7.7138 7.7879 7.7879 11.9457 11.9457 11.9979 11.9979 14.2416 14.2416 14.5708 14.5708 k = 0.1250 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4973 -9.4973 -9.4143 -9.4143 -8.4170 -8.4170 -8.4133 -8.4133 -7.9472 -7.9472 -7.7637 -7.7637 -5.9371 -5.9371 -5.9300 -5.9300 -5.7790 -5.7790 -5.7724 -5.7724 -5.4338 -5.4338 -5.3333 -5.3333 1.4505 1.4505 1.4584 1.4584 4.6148 4.6148 4.8465 4.8465 6.2329 6.2329 6.3560 6.3560 7.6871 7.6871 7.7690 7.7690 11.9593 11.9593 12.0161 12.0161 14.1526 14.1526 14.4942 14.4942 k = 0.1375 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4993 -9.4993 -9.4102 -9.4102 -8.4151 -8.4151 -8.4119 -8.4119 -7.9532 -7.9532 -7.7551 -7.7551 -5.9343 -5.9343 -5.9276 -5.9276 -5.7798 -5.7798 -5.7729 -5.7729 -5.4351 -5.4351 -5.3263 -5.3263 1.4269 1.4269 1.4362 1.4362 4.5797 4.5797 4.8157 4.8157 6.3086 6.3086 6.4271 6.4271 7.6581 7.6581 7.7477 7.7477 11.9745 11.9745 12.0356 12.0356 14.0629 14.0629 14.4131 14.4131 k = 0.1500 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.5010 -9.5010 -9.4064 -9.4064 -8.4130 -8.4130 -8.4105 -8.4105 -7.9584 -7.9584 -7.7470 -7.7470 -5.9312 -5.9312 -5.9252 -5.9252 -5.7806 -5.7806 -5.7735 -5.7735 -5.4360 -5.4360 -5.3193 -5.3193 1.4013 1.4013 1.4120 1.4120 4.5484 4.5484 4.7875 4.7875 6.3851 6.3851 6.4983 6.4983 7.6270 7.6270 7.7241 7.7241 11.9912 11.9912 12.0561 12.0561 13.9734 13.9734 14.3293 14.3293 k = 0.1625 0.5000 0.3973 ( 2888 PWs) bands (ev): -9.5024 -9.5024 -9.4029 -9.4029 -8.4107 -8.4107 -8.4091 -8.4091 -7.9630 -7.9630 -7.7394 -7.7394 -5.9276 -5.9276 -5.9227 -5.9227 -5.7814 -5.7814 -5.7741 -5.7741 -5.4364 -5.4364 -5.3124 -5.3124 1.3737 1.3737 1.3859 1.3859 4.5210 4.5210 4.7621 4.7621 6.4618 6.4618 6.5691 6.5691 7.5938 7.5938 7.6982 7.6982 12.0093 12.0093 12.0775 12.0775 13.8850 13.8850 14.2442 14.2442 k = 0.1750 0.5000 0.3973 ( 2888 PWs) bands (ev): -9.5035 -9.5035 -9.3998 -9.3998 -8.4081 -8.4081 -8.4076 -8.4076 -7.9669 -7.9669 -7.7324 -7.7324 -5.9238 -5.9238 -5.9201 -5.9201 -5.7821 -5.7821 -5.7749 -5.7749 -5.4364 -5.4364 -5.3057 -5.3057 1.3443 1.3443 1.3580 1.3580 4.4978 4.4978 4.7399 4.7399 6.5382 6.5382 6.6393 6.6393 7.5586 7.5586 7.6701 7.6701 12.0288 12.0288 12.0997 12.0997 13.7986 13.7986 14.1593 14.1593 k = 0.1875 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.5043 -9.5043 -9.3970 -9.3970 -8.4061 -8.4061 -8.4054 -8.4054 -7.9700 -7.9700 -7.7259 -7.7259 -5.9196 -5.9196 -5.9175 -5.9175 -5.7829 -5.7829 -5.7757 -5.7757 -5.4359 -5.4359 -5.2991 -5.2991 1.3133 1.3133 1.3285 1.3285 4.4787 4.4787 4.7211 4.7211 6.6139 6.6139 6.7085 6.7085 7.5215 7.5215 7.6399 7.6399 12.0494 12.0494 12.1224 12.1224 13.7147 13.7147 14.0758 14.0758 k = 0.2000 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.5048 -9.5048 -9.3946 -9.3946 -8.4046 -8.4046 -8.4026 -8.4026 -7.9722 -7.9722 -7.7200 -7.7200 -5.9151 -5.9151 -5.9148 -5.9148 -5.7836 -5.7836 -5.7766 -5.7766 -5.4350 -5.4350 -5.2927 -5.2927 1.2808 1.2808 1.2975 1.2975 4.4637 4.4637 4.7057 4.7057 6.6886 6.6886 6.7766 6.7766 7.4827 7.4827 7.6076 7.6076 12.0710 12.0710 12.1453 12.1453 13.6342 13.6342 13.9947 13.9947 k = 0.2125 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.5049 -9.5049 -9.3926 -9.3926 -8.4031 -8.4031 -8.3996 -8.3996 -7.9736 -7.9736 -7.7147 -7.7147 -5.9120 -5.9120 -5.9103 -5.9103 -5.7842 -5.7842 -5.7776 -5.7776 -5.4335 -5.4335 -5.2866 -5.2866 1.2470 1.2470 1.2651 1.2651 4.4530 4.4530 4.6939 4.6939 6.7618 6.7618 6.8431 6.8431 7.4424 7.4424 7.5735 7.5735 12.0933 12.0933 12.1681 12.1681 13.5576 13.5576 13.9172 13.9172 k = 0.2250 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.5048 -9.5048 -9.3910 -9.3910 -8.4015 -8.4015 -8.3966 -8.3966 -7.9742 -7.9742 -7.7102 -7.7102 -5.9092 -5.9092 -5.9054 -5.9054 -5.7849 -5.7849 -5.7787 -5.7787 -5.4316 -5.4316 -5.2809 -5.2809 1.2122 1.2122 1.2317 1.2317 4.4463 4.4463 4.6855 4.6855 6.8332 6.8332 6.9078 6.9078 7.4010 7.4010 7.5378 7.5378 12.1161 12.1161 12.1906 12.1906 13.4855 13.4855 13.8441 13.8441 k = 0.2375 0.5000 0.3973 ( 2904 PWs) bands (ev): -9.5043 -9.5043 -9.3899 -9.3899 -8.4000 -8.4000 -8.3935 -8.3935 -7.9738 -7.9738 -7.7064 -7.7064 -5.9063 -5.9063 -5.9002 -5.9002 -5.7855 -5.7855 -5.7798 -5.7798 -5.4292 -5.4292 -5.2754 -5.2754 1.1766 1.1766 1.1973 1.1973 4.4436 4.4436 4.6805 4.6805 6.9021 6.9021 6.9701 6.9701 7.3588 7.3588 7.5008 7.5008 12.1390 12.1390 12.2122 12.2122 13.4187 13.4187 13.7762 13.7762 k = 0.2500 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.5036 -9.5036 -9.3892 -9.3892 -8.3984 -8.3984 -8.3905 -8.3905 -7.9725 -7.9725 -7.7033 -7.7033 -5.9033 -5.9033 -5.8949 -5.8949 -5.7861 -5.7861 -5.7810 -5.7810 -5.4263 -5.4263 -5.2704 -5.2704 1.1404 1.1404 1.1622 1.1622 4.4447 4.4447 4.6788 4.6788 6.9678 6.9678 7.0295 7.0295 7.3167 7.3167 7.4632 7.4632 12.1615 12.1615 12.2325 12.2325 13.3578 13.3578 13.7145 13.7145 k = 0.2625 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.5025 -9.5025 -9.3889 -9.3889 -8.3968 -8.3968 -8.3875 -8.3875 -7.9703 -7.9703 -7.7010 -7.7010 -5.9004 -5.9004 -5.8894 -5.8894 -5.7866 -5.7866 -5.7823 -5.7823 -5.4228 -5.4228 -5.2658 -5.2658 1.1040 1.1040 1.1267 1.1267 4.4496 4.4496 4.6802 4.6802 7.0282 7.0282 7.0848 7.0848 7.2766 7.2766 7.4261 7.4261 12.1832 12.1832 12.2510 12.2510 13.3035 13.3035 13.6596 13.6596 k = 0.2750 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.5012 -9.5012 -9.3890 -9.3890 -8.3953 -8.3953 -8.3846 -8.3846 -7.9672 -7.9672 -7.6994 -7.6994 -5.8973 -5.8973 -5.8840 -5.8840 -5.7871 -5.7871 -5.7836 -5.7836 -5.4189 -5.4189 -5.2616 -5.2616 1.0675 1.0675 1.0909 1.0909 4.4578 4.4578 4.6846 4.6846 7.0776 7.0776 7.1335 7.1335 7.2445 7.2445 7.3920 7.3920 12.2035 12.2035 12.2673 12.2673 13.2564 13.2564 13.6122 13.6122 k = 0.2875 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.4996 -9.4996 -9.3896 -9.3896 -8.3937 -8.3937 -8.3819 -8.3819 -7.9631 -7.9631 -7.6987 -7.6987 -5.8942 -5.8942 -5.8786 -5.8786 -5.7876 -5.7876 -5.7850 -5.7850 -5.4145 -5.4145 -5.2580 -5.2580 1.0313 1.0313 1.0552 1.0552 4.4694 4.4694 4.6916 4.6916 7.0991 7.0991 7.1700 7.1700 7.2372 7.2372 7.3665 7.3665 12.2216 12.2216 12.2807 12.2807 13.2173 13.2173 13.5729 13.5729 k = 0.3000 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.4978 -9.4978 -9.3906 -9.3906 -8.3921 -8.3921 -8.3794 -8.3794 -7.9581 -7.9581 -7.6987 -7.6987 -5.8911 -5.8911 -5.8732 -5.8732 -5.7881 -5.7881 -5.7864 -5.7864 -5.4096 -5.4096 -5.2549 -5.2549 0.9956 0.9956 1.0198 1.0198 4.4839 4.4839 4.7010 4.7010 7.0816 7.0816 7.1835 7.1835 7.2660 7.2660 7.3605 7.3605 12.2371 12.2371 12.2911 12.2911 13.1869 13.1869 13.5421 13.5421 k = 0.3125 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.4957 -9.4957 -9.3919 -9.3919 -8.3905 -8.3905 -8.3770 -8.3770 -7.9522 -7.9522 -7.6996 -7.6996 -5.8880 -5.8880 -5.8680 -5.8680 -5.7885 -5.7885 -5.7879 -5.7879 -5.4041 -5.4041 -5.2523 -5.2523 0.9607 0.9607 0.9849 0.9849 4.5012 4.5012 4.7125 4.7125 7.0452 7.0452 7.1692 7.1692 7.3110 7.3110 7.3790 7.3790 12.2493 12.2493 12.2980 12.2980 13.1656 13.1656 13.5200 13.5200 k = 0.3250 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.4934 -9.4934 -9.3937 -9.3937 -8.3890 -8.3890 -8.3749 -8.3749 -7.9454 -7.9454 -7.7013 -7.7013 -5.8848 -5.8848 -5.8629 -5.8629 -5.7893 -5.7893 -5.7889 -5.7889 -5.3983 -5.3983 -5.2504 -5.2504 0.9269 0.9269 0.9508 0.9508 4.5209 4.5209 4.7258 4.7258 7.0029 7.0029 7.1372 7.1372 7.3593 7.3593 7.4119 7.4119 12.2578 12.2578 12.3013 12.3013 13.1538 13.1538 13.5065 13.5065 k = 0.3375 0.5000 0.3973 ( 2900 PWs) bands (ev): -9.4908 -9.4908 -9.3958 -9.3958 -8.3874 -8.3874 -8.3730 -8.3730 -7.9379 -7.9379 -7.7038 -7.7038 -5.8816 -5.8816 -5.8582 -5.8582 -5.7908 -5.7908 -5.7894 -5.7894 -5.3919 -5.3919 -5.2491 -5.2491 0.8943 0.8943 0.9178 0.9178 4.5428 4.5428 4.7404 4.7404 6.9591 6.9591 7.0974 7.0974 7.4068 7.4068 7.4497 7.4497 12.2625 12.2625 12.3012 12.3012 13.1515 13.1515 13.5013 13.5013 k = 0.3500 0.5000 0.3973 ( 2892 PWs) bands (ev): -9.4881 -9.4881 -9.3982 -9.3982 -8.3859 -8.3859 -8.3714 -8.3714 -7.9296 -7.9296 -7.7071 -7.7071 -5.8783 -5.8783 -5.8537 -5.8537 -5.7922 -5.7922 -5.7898 -5.7898 -5.3852 -5.3852 -5.2484 -5.2484 0.8633 0.8633 0.8860 0.8860 4.5664 4.5664 4.7560 4.7560 6.9155 6.9155 7.0541 7.0541 7.4522 7.4522 7.4880 7.4880 12.2636 12.2636 12.2980 12.2980 13.1585 13.1585 13.5037 13.5037 k = 0.3625 0.5000 0.3973 ( 2888 PWs) bands (ev): -9.4851 -9.4851 -9.4009 -9.4009 -8.3843 -8.3843 -8.3701 -8.3701 -7.9206 -7.9206 -7.7112 -7.7112 -5.8751 -5.8751 -5.8496 -5.8496 -5.7936 -5.7936 -5.7902 -5.7902 -5.3781 -5.3781 -5.2484 -5.2484 0.8340 0.8340 0.8558 0.8558 4.5916 4.5916 4.7721 4.7721 6.8731 6.8731 7.0096 7.0096 7.4948 7.4948 7.5250 7.5250 12.2614 12.2614 12.2921 12.2921 13.1740 13.1740 13.5128 13.5128 k = 0.3750 0.5000 0.3973 ( 2884 PWs) bands (ev): -9.4819 -9.4819 -9.4039 -9.4039 -8.3828 -8.3828 -8.3690 -8.3690 -7.9110 -7.9110 -7.7160 -7.7160 -5.8718 -5.8718 -5.8460 -5.8460 -5.7950 -5.7950 -5.7906 -5.7906 -5.3706 -5.3706 -5.2491 -5.2491 0.8066 0.8066 0.8272 0.8272 4.6178 4.6178 4.7882 4.7882 6.8325 6.8325 6.9649 6.9649 7.5343 7.5343 7.5598 7.5598 12.2567 12.2567 12.2841 12.2841 13.1973 13.1973 13.5274 13.5274 k = 0.3875 0.5000 0.3973 ( 2872 PWs) bands (ev): -9.4786 -9.4786 -9.4071 -9.4071 -8.3813 -8.3813 -8.3682 -8.3682 -7.9009 -7.9009 -7.7217 -7.7217 -5.8686 -5.8686 -5.8429 -5.8429 -5.7961 -5.7961 -5.7910 -5.7910 -5.3629 -5.3629 -5.2505 -5.2505 0.7814 0.7814 0.8006 0.8006 4.6447 4.6447 4.8038 4.8038 6.7945 6.7945 6.9209 6.9209 7.5705 7.5705 7.5920 7.5920 12.2501 12.2501 12.2746 12.2746 13.2271 13.2271 13.5460 13.5460 k = 0.4000 0.5000 0.3973 ( 2868 PWs) bands (ev): -9.4751 -9.4751 -9.4106 -9.4106 -8.3799 -8.3799 -8.3676 -8.3676 -7.8903 -7.8903 -7.7280 -7.7280 -5.8653 -5.8653 -5.8403 -5.8403 -5.7972 -5.7972 -5.7914 -5.7914 -5.3549 -5.3549 -5.2525 -5.2525 0.7585 0.7585 0.7761 0.7761 4.6719 4.6719 4.8183 4.8183 6.7596 6.7596 6.8782 6.8782 7.6032 7.6032 7.6212 7.6212 12.2425 12.2425 12.2643 12.2643 13.2624 13.2624 13.5670 13.5670 k = 0.4125 0.5000 0.3973 ( 2872 PWs) bands (ev): -9.4714 -9.4714 -9.4142 -9.4142 -8.3784 -8.3784 -8.3673 -8.3673 -7.8794 -7.8794 -7.7350 -7.7350 -5.8621 -5.8621 -5.8384 -5.8384 -5.7979 -5.7979 -5.7919 -5.7919 -5.3468 -5.3468 -5.2552 -5.2552 0.7381 0.7381 0.7539 0.7539 4.6988 4.6988 4.8314 4.8314 6.7284 6.7284 6.8375 6.8375 7.6324 7.6324 7.6472 7.6472 12.2345 12.2345 12.2536 12.2536 13.3019 13.3019 13.5884 13.5884 k = 0.4250 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4676 -9.4676 -9.4181 -9.4181 -8.3771 -8.3771 -8.3671 -8.3671 -7.8683 -7.8683 -7.7427 -7.7427 -5.8590 -5.8590 -5.8372 -5.8372 -5.7984 -5.7984 -5.7924 -5.7924 -5.3386 -5.3386 -5.2587 -5.2587 0.7203 0.7203 0.7342 0.7342 4.7252 4.7252 4.8423 4.8423 6.7015 6.7015 6.7992 6.7992 7.6579 7.6579 7.6700 7.6700 12.2266 12.2266 12.2432 12.2432 13.3445 13.3445 13.6082 13.6082 k = 0.4375 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4637 -9.4637 -9.4220 -9.4220 -8.3757 -8.3757 -8.3672 -8.3672 -7.8569 -7.8569 -7.7511 -7.7511 -5.8559 -5.8559 -5.8366 -5.8366 -5.7986 -5.7986 -5.7930 -5.7930 -5.3304 -5.3304 -5.2627 -5.2627 0.7053 0.7053 0.7171 0.7171 4.7504 4.7504 4.8507 4.8507 6.6793 6.6793 6.7639 6.7639 7.6796 7.6796 7.6893 7.6893 12.2195 12.2195 12.2334 12.2334 13.3890 13.3890 13.6243 13.6243 k = 0.4500 0.5000 0.3973 ( 2876 PWs) bands (ev): -9.4597 -9.4597 -9.4261 -9.4261 -8.3744 -8.3744 -8.3675 -8.3675 -7.8455 -7.8455 -7.7600 -7.7600 -5.8529 -5.8529 -5.8367 -5.8367 -5.7985 -5.7985 -5.7936 -5.7936 -5.3223 -5.3223 -5.2674 -5.2674 0.6931 0.6931 0.7026 0.7026 4.7739 4.7739 4.8562 4.8562 6.6624 6.6624 6.7323 6.7323 7.6976 7.6976 7.7051 7.7051 12.2135 12.2135 12.2247 12.2247 13.4339 13.4339 13.6343 13.6343 k = 0.4625 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4556 -9.4556 -9.4302 -9.4302 -8.3732 -8.3732 -8.3679 -8.3679 -7.8340 -7.8340 -7.7694 -7.7694 -5.8500 -5.8500 -5.8374 -5.8374 -5.7982 -5.7982 -5.7942 -5.7942 -5.3142 -5.3142 -5.2727 -5.2727 0.6838 0.6838 0.6910 0.6910 4.7953 4.7953 4.8582 4.8582 6.6511 6.6511 6.7049 6.7049 7.7119 7.7119 7.7173 7.7173 12.2088 12.2088 12.2173 12.2173 13.4781 13.4781 13.6367 13.6367 k = 0.4750 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4514 -9.4514 -9.4344 -9.4344 -8.3721 -8.3721 -8.3685 -8.3685 -7.8226 -7.8226 -7.7793 -7.7793 -5.8473 -5.8473 -5.8387 -5.8387 -5.7977 -5.7977 -5.7949 -5.7949 -5.3064 -5.3064 -5.2785 -5.2785 0.6774 0.6774 0.6823 0.6823 4.8142 4.8142 4.8567 4.8567 6.6456 6.6456 6.6821 6.6821 7.7223 7.7223 7.7258 7.7258 12.2058 12.2058 12.2115 12.2115 13.5199 13.5199 13.6300 13.6300 k = 0.4875 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4472 -9.4472 -9.4387 -9.4387 -8.3710 -8.3710 -8.3692 -8.3692 -7.8114 -7.8114 -7.7897 -7.7897 -5.8447 -5.8447 -5.8403 -5.8403 -5.7971 -5.7971 -5.7956 -5.7956 -5.2989 -5.2989 -5.2848 -5.2848 0.6741 0.6741 0.6766 0.6766 4.8300 4.8300 4.8515 4.8515 6.6460 6.6460 6.6645 6.6645 7.7288 7.7288 7.7306 7.7306 12.2045 12.2045 12.2074 12.2074 13.5576 13.5576 13.6141 13.6141 k = 0.5000 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4429 -9.4429 -9.4429 -9.4429 -8.3701 -8.3701 -8.3701 -8.3701 -7.8004 -7.8004 -7.8004 -7.8004 -5.8424 -5.8424 -5.8424 -5.8424 -5.7964 -5.7964 -5.7964 -5.7964 -5.2916 -5.2916 -5.2916 -5.2916 0.6738 0.6738 0.6738 0.6738 4.8426 4.8426 4.8426 4.8426 6.6524 6.6524 6.6524 6.6524 7.7316 7.7316 7.7316 7.7316 12.2050 12.2050 12.2050 12.2050 13.5895 13.5895 13.5895 13.5895 k = 0.5000 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4429 -9.4429 -9.4429 -9.4429 -8.3701 -8.3701 -8.3701 -8.3701 -7.8004 -7.8004 -7.8004 -7.8004 -5.8424 -5.8424 -5.8424 -5.8424 -5.7964 -5.7964 -5.7964 -5.7964 -5.2916 -5.2916 -5.2916 -5.2916 0.6738 0.6738 0.6738 0.6738 4.8426 4.8426 4.8426 4.8426 6.6524 6.6524 6.6524 6.6524 7.7316 7.7316 7.7316 7.7316 12.2050 12.2050 12.2050 12.2050 13.5895 13.5895 13.5895 13.5895 k = 0.4911 0.4911 0.3973 ( 2880 PWs) bands (ev): -9.4472 -9.4472 -9.4386 -9.4386 -8.3710 -8.3710 -8.3692 -8.3692 -7.8115 -7.8115 -7.7896 -7.7896 -5.8447 -5.8447 -5.8403 -5.8403 -5.7971 -5.7971 -5.7956 -5.7956 -5.2990 -5.2990 -5.2848 -5.2848 0.6737 0.6737 0.6771 0.6771 4.8295 4.8295 4.8520 4.8520 6.6457 6.6457 6.6648 6.6648 7.7279 7.7279 7.7315 7.7315 12.2040 12.2040 12.2079 12.2079 13.5563 13.5563 13.6154 13.6154 k = 0.4821 0.4821 0.3973 ( 2882 PWs) bands (ev): -9.4515 -9.4515 -9.4343 -9.4343 -8.3721 -8.3721 -8.3685 -8.3685 -7.8230 -7.8230 -7.7790 -7.7790 -5.8473 -5.8473 -5.8386 -5.8386 -5.7978 -5.7978 -5.7949 -5.7949 -5.3067 -5.3067 -5.2782 -5.2782 0.6747 0.6747 0.6852 0.6852 4.8106 4.8106 4.8602 4.8602 6.6440 6.6440 6.6841 6.6841 7.7173 7.7173 7.7305 7.7305 12.2026 12.2026 12.2148 12.2148 13.5122 13.5122 13.6383 13.6383 k = 0.4732 0.4732 0.3973 ( 2878 PWs) bands (ev): -9.4558 -9.4558 -9.4300 -9.4300 -8.3733 -8.3733 -8.3678 -8.3678 -7.8347 -7.8347 -7.7688 -7.7688 -5.8502 -5.8502 -5.8372 -5.8372 -5.7984 -5.7984 -5.7941 -5.7941 -5.3150 -5.3150 -5.2719 -5.2719 0.6766 0.6766 0.6987 0.6987 4.7848 4.7848 4.8687 4.8687 6.6461 6.6461 6.7103 6.7103 7.6999 7.6999 7.7287 7.7287 12.2004 12.2004 12.2262 12.2262 13.4567 13.4567 13.6620 13.6620 k = 0.4643 0.4643 0.3973 ( 2878 PWs) bands (ev): -9.4601 -9.4601 -9.4257 -9.4257 -8.3746 -8.3746 -8.3673 -8.3673 -7.8468 -7.8468 -7.7588 -7.7588 -5.8532 -5.8532 -5.8363 -5.8363 -5.7991 -5.7991 -5.7933 -5.7933 -5.3239 -5.3239 -5.2658 -5.2658 0.6793 0.6793 0.7175 0.7175 4.7520 4.7520 4.8787 4.8787 6.6514 6.6514 6.7434 6.7434 7.6758 7.6758 7.7263 7.7263 12.1970 12.1970 12.2419 12.2419 13.3914 13.3914 13.6891 13.6891 k = 0.4554 0.4554 0.3973 ( 2878 PWs) bands (ev): -9.4644 -9.4644 -9.4213 -9.4213 -8.3759 -8.3759 -8.3670 -8.3670 -7.8592 -7.8592 -7.7491 -7.7491 -5.8563 -5.8563 -5.8358 -5.8358 -5.7997 -5.7997 -5.7925 -5.7925 -5.3334 -5.3334 -5.2599 -5.2599 0.6826 0.6826 0.7416 0.7416 4.7128 4.7128 4.8906 4.8906 6.6594 6.6594 6.7827 6.7827 7.6452 7.6452 7.7232 7.7232 12.1922 12.1922 12.2620 12.2620 13.3191 13.3191 13.7204 13.7204 k = 0.4464 0.4464 0.3973 ( 2874 PWs) bands (ev): -9.4687 -9.4687 -9.4170 -9.4170 -8.3774 -8.3774 -8.3667 -8.3667 -7.8719 -7.8719 -7.7397 -7.7397 -5.8596 -5.8596 -5.8357 -5.8357 -5.8003 -5.8003 -5.7916 -5.7916 -5.3435 -5.3435 -5.2539 -5.2539 0.6865 0.6865 0.7708 0.7708 4.6681 4.6681 4.9046 4.9046 6.6697 6.6697 6.8271 6.8271 7.6084 7.6084 7.7195 7.7195 12.1856 12.1856 12.2861 12.2861 13.2427 13.2427 13.7564 13.7564 k = 0.4375 0.4375 0.3973 ( 2872 PWs) bands (ev): -9.4729 -9.4729 -9.4126 -9.4126 -8.3789 -8.3789 -8.3666 -8.3666 -7.8848 -7.8848 -7.7305 -7.7305 -5.8629 -5.8629 -5.8360 -5.8360 -5.8010 -5.8010 -5.7907 -5.7907 -5.3542 -5.3542 -5.2480 -5.2480 0.6909 0.6909 0.8050 0.8050 4.6190 4.6190 4.9208 4.9208 6.6823 6.6823 6.8758 6.8758 7.5659 7.5659 7.7151 7.7151 12.1766 12.1766 12.3142 12.3142 13.1649 13.1649 13.7970 13.7970 k = 0.4286 0.4286 0.3973 ( 2880 PWs) bands (ev): -9.4773 -9.4773 -9.4083 -9.4083 -8.3805 -8.3805 -8.3666 -8.3666 -7.8981 -7.8981 -7.7216 -7.7216 -5.8663 -5.8663 -5.8367 -5.8367 -5.8018 -5.8018 -5.7898 -5.7898 -5.3655 -5.3655 -5.2421 -5.2421 0.6958 0.6958 0.8443 0.8443 4.5665 4.5665 4.9393 4.9393 6.6968 6.6968 6.9277 6.9277 7.5179 7.5179 7.7101 7.7101 12.1645 12.1645 12.3458 12.3458 13.0881 13.0881 13.8418 13.8418 k = 0.4196 0.4196 0.3973 ( 2880 PWs) bands (ev): -9.4816 -9.4816 -9.4039 -9.4039 -8.3822 -8.3822 -8.3668 -8.3668 -7.9117 -7.9117 -7.7129 -7.7129 -5.8698 -5.8698 -5.8378 -5.8378 -5.8026 -5.8026 -5.7889 -5.7889 -5.3774 -5.3774 -5.2360 -5.2360 0.7011 0.7011 0.8883 0.8883 4.5118 4.5118 4.9601 4.9601 6.7131 6.7131 6.9817 6.9817 7.4650 7.4650 7.7045 7.7045 12.1486 12.1486 12.3804 12.3804 13.0149 13.0149 13.8901 13.8901 k = 0.4107 0.4107 0.3973 ( 2880 PWs) bands (ev): -9.4859 -9.4859 -9.3996 -9.3996 -8.3839 -8.3839 -8.3670 -8.3670 -7.9256 -7.9256 -7.7044 -7.7044 -5.8733 -5.8733 -5.8391 -5.8391 -5.8036 -5.8036 -5.7880 -5.7880 -5.3898 -5.3898 -5.2299 -5.2299 0.7066 0.7066 0.9370 0.9370 4.4557 4.4557 4.9832 4.9832 6.7311 6.7311 7.0370 7.0370 7.4076 7.4076 7.6983 7.6983 12.1277 12.1277 12.4174 12.4174 12.9476 12.9476 13.9411 13.9411 k = 0.4018 0.4018 0.3973 ( 2876 PWs) bands (ev): -9.4903 -9.4903 -9.3953 -9.3953 -8.3856 -8.3856 -8.3674 -8.3674 -7.9397 -7.9397 -7.6962 -7.6962 -5.8768 -5.8768 -5.8407 -5.8407 -5.8048 -5.8048 -5.7872 -5.7872 -5.4026 -5.4026 -5.2235 -5.2235 0.7122 0.7122 0.9903 0.9903 4.3990 4.3990 5.0084 5.0084 6.7504 6.7504 7.0927 7.0927 7.3464 7.3464 7.6916 7.6916 12.1010 12.1010 12.4555 12.4555 12.8887 12.8887 13.9936 13.9936 k = 0.3929 0.3929 0.3973 ( 2880 PWs) bands (ev): -9.4946 -9.4946 -9.3911 -9.3911 -8.3874 -8.3874 -8.3679 -8.3679 -7.9540 -7.9540 -7.6882 -7.6882 -5.8804 -5.8804 -5.8426 -5.8426 -5.8061 -5.8061 -5.7864 -5.7864 -5.4158 -5.4158 -5.2170 -5.2170 0.7179 0.7179 1.0479 1.0479 4.3425 4.3425 5.0359 5.0359 6.7707 6.7707 7.1482 7.1482 7.2821 7.2821 7.6843 7.6843 12.0675 12.0675 12.4929 12.4929 12.8411 12.8411 14.0460 14.0460 k = 0.3839 0.3839 0.3973 ( 2874 PWs) bands (ev): -9.4990 -9.4990 -9.3868 -9.3868 -8.3892 -8.3892 -8.3686 -8.3686 -7.9686 -7.9686 -7.6804 -7.6804 -5.8839 -5.8839 -5.8446 -5.8446 -5.8076 -5.8076 -5.7856 -5.7856 -5.4294 -5.4294 -5.2103 -5.2103 0.7233 0.7233 1.1097 1.1097 4.2869 4.2869 5.0655 5.0655 6.7913 6.7913 7.2009 7.2009 7.2176 7.2176 7.6767 7.6767 12.0269 12.0269 12.5266 12.5266 12.8082 12.8082 14.0963 14.0963 k = 0.3750 0.3750 0.3973 ( 2874 PWs) bands (ev): -9.5035 -9.5035 -9.3826 -9.3826 -8.3910 -8.3910 -8.3693 -8.3693 -7.9833 -7.9833 -7.6728 -7.6728 -5.8874 -5.8874 -5.8467 -5.8467 -5.8093 -5.8093 -5.7850 -5.7850 -5.4432 -5.4432 -5.2034 -5.2034 0.7285 0.7285 1.1755 1.1755 4.2328 4.2328 5.0973 5.0973 6.8108 6.8108 7.1480 7.1480 7.2570 7.2570 7.6686 7.6686 11.9792 11.9792 12.5523 12.5523 12.7937 12.7937 14.1421 14.1421 k = 0.3661 0.3661 0.3973 ( 2878 PWs) bands (ev): -9.5080 -9.5080 -9.3785 -9.3785 -8.3929 -8.3929 -8.3702 -8.3702 -7.9982 -7.9982 -7.6655 -7.6655 -5.8909 -5.8909 -5.8490 -5.8490 -5.8112 -5.8112 -5.7845 -5.7845 -5.4573 -5.4573 -5.1964 -5.1964 0.7332 0.7332 1.2452 1.2452 4.1808 4.1808 5.1311 5.1311 6.8262 6.8262 7.0840 7.0840 7.3085 7.3085 7.6602 7.6602 11.9251 11.9251 12.5669 12.5669 12.7994 12.7994 14.1815 14.1815 k = 0.3571 0.3571 0.3973 ( 2882 PWs) bands (ev): -9.5125 -9.5125 -9.3745 -9.3745 -8.3947 -8.3947 -8.3712 -8.3712 -8.0133 -8.0133 -7.6583 -7.6583 -5.8943 -5.8943 -5.8513 -5.8513 -5.8132 -5.8132 -5.7842 -5.7842 -5.4714 -5.4714 -5.1891 -5.1891 0.7373 0.7373 1.3185 1.3185 4.1312 4.1312 5.1668 5.1668 6.8297 6.8297 7.0306 7.0306 7.3578 7.3578 7.6516 7.6516 11.8658 11.8658 12.5716 12.5716 12.8221 12.8221 14.2132 14.2132 k = 0.3482 0.3482 0.3973 ( 2886 PWs) bands (ev): -9.5170 -9.5170 -9.3705 -9.3705 -8.3965 -8.3965 -8.3723 -8.3723 -8.0284 -8.0284 -7.6514 -7.6514 -5.8977 -5.8977 -5.8536 -5.8536 -5.8154 -5.8154 -5.7839 -5.7839 -5.4855 -5.4855 -5.1816 -5.1816 0.7406 0.7406 1.3954 1.3954 4.0846 4.0846 5.2045 5.2045 6.8076 6.8076 7.0021 7.0021 7.4045 7.4045 7.6430 7.6430 11.8026 11.8026 12.5708 12.5708 12.8550 12.8550 14.2379 14.2379 k = 0.3393 0.3393 0.3973 ( 2890 PWs) bands (ev): -9.5217 -9.5217 -9.3666 -9.3666 -8.3984 -8.3984 -8.3735 -8.3735 -8.0435 -8.0435 -7.6446 -7.6446 -5.9011 -5.9011 -5.8560 -5.8560 -5.8178 -5.8178 -5.7839 -5.7839 -5.4996 -5.4996 -5.1739 -5.1739 0.7430 0.7430 1.4754 1.4754 4.0414 4.0414 5.2441 5.2441 6.7559 6.7559 7.0025 7.0025 7.4481 7.4481 7.6348 7.6348 11.7371 11.7371 12.5683 12.5683 12.8915 12.8915 14.2577 14.2577 k = 0.3304 0.3304 0.3973 ( 2894 PWs) bands (ev): -9.5263 -9.5263 -9.3628 -9.3628 -8.4002 -8.4002 -8.3748 -8.3748 -8.0587 -8.0587 -7.6381 -7.6381 -5.9044 -5.9044 -5.8584 -5.8584 -5.8203 -5.8203 -5.7840 -5.7840 -5.5136 -5.5136 -5.1661 -5.1661 0.7443 0.7443 1.5586 1.5586 4.0019 4.0019 5.2854 5.2854 6.6868 6.6868 7.0198 7.0198 7.4875 7.4875 7.6277 7.6277 11.6703 11.6703 12.5658 12.5658 12.9272 12.9272 14.2754 14.2754 k = 0.3214 0.3214 0.3973 ( 2890 PWs) bands (ev): -9.5310 -9.5310 -9.3592 -9.3592 -8.4019 -8.4019 -8.3762 -8.3762 -8.0739 -8.0739 -7.6318 -7.6318 -5.9077 -5.9077 -5.8608 -5.8608 -5.8229 -5.8229 -5.7843 -5.7843 -5.5275 -5.5275 -5.1580 -5.1580 0.7443 0.7443 1.6447 1.6447 3.9663 3.9663 5.3284 5.3284 6.6099 6.6099 7.0447 7.0447 7.5209 7.5209 7.6236 7.6236 11.6034 11.6034 12.5639 12.5639 12.9587 12.9587 14.2944 14.2944 k = 0.3125 0.3125 0.3973 ( 2886 PWs) bands (ev): -9.5358 -9.5358 -9.3556 -9.3556 -8.4037 -8.4037 -8.3777 -8.3777 -8.0889 -8.0889 -7.6257 -7.6257 -5.9109 -5.9109 -5.8632 -5.8632 -5.8257 -5.8257 -5.7848 -5.7848 -5.5411 -5.5411 -5.1499 -5.1499 0.7430 0.7430 1.7335 1.7335 3.9350 3.9350 5.3730 5.3730 6.5291 6.5291 7.0732 7.0732 7.5440 7.5440 7.6267 7.6267 11.5373 11.5373 12.5624 12.5624 12.9836 12.9836 14.3173 14.3173 k = 0.3036 0.3036 0.3973 ( 2886 PWs) bands (ev): -9.5405 -9.5405 -9.3523 -9.3523 -8.4054 -8.4054 -8.3792 -8.3792 -8.1039 -8.1039 -7.6199 -7.6199 -5.9141 -5.9141 -5.8655 -5.8655 -5.8285 -5.8285 -5.7854 -5.7854 -5.5545 -5.5545 -5.1415 -5.1415 0.7402 0.7402 1.8247 1.8247 3.9082 3.9082 5.4192 5.4192 6.4463 6.4463 7.1034 7.1034 7.5528 7.5528 7.6411 7.6411 11.4729 11.4729 12.5609 12.5609 13.0002 13.0002 14.3461 14.3461 k = 0.2946 0.2946 0.3973 ( 2882 PWs) bands (ev): -9.5454 -9.5454 -9.3490 -9.3490 -8.4070 -8.4070 -8.3808 -8.3808 -8.1187 -8.1187 -7.6143 -7.6143 -5.9172 -5.9172 -5.8678 -5.8678 -5.8315 -5.8315 -5.7863 -5.7863 -5.5675 -5.5675 -5.1331 -5.1331 0.7359 0.7359 1.9183 1.9183 3.8859 3.8859 5.4667 5.4667 6.3625 6.3625 7.1346 7.1346 7.5506 7.5506 7.6635 7.6635 11.4106 11.4106 12.5590 12.5590 13.0076 13.0076 14.3823 14.3823 k = 0.2857 0.2857 0.3973 ( 2878 PWs) bands (ev): -9.5503 -9.5503 -9.3459 -9.3459 -8.4086 -8.4086 -8.3824 -8.3824 -8.1333 -8.1333 -7.6089 -7.6089 -5.9203 -5.9203 -5.8699 -5.8699 -5.8344 -5.8344 -5.7872 -5.7872 -5.5802 -5.5802 -5.1246 -5.1246 0.7299 0.7299 2.0140 2.0140 3.8684 3.8684 5.5156 5.5156 6.2783 6.2783 7.1659 7.1659 7.5432 7.5432 7.6882 7.6882 11.3512 11.3512 12.5558 12.5558 13.0059 13.0059 14.4261 14.4261 k = 0.2768 0.2768 0.3973 ( 2880 PWs) bands (ev): -9.5552 -9.5552 -9.3430 -9.3430 -8.4101 -8.4101 -8.3842 -8.3842 -8.1477 -8.1477 -7.6037 -7.6037 -5.9233 -5.9233 -5.8720 -5.8720 -5.8374 -5.8374 -5.7884 -5.7884 -5.5926 -5.5926 -5.1160 -5.1160 0.7223 0.7223 2.1117 2.1117 3.8556 3.8556 5.5656 5.5656 6.1941 6.1941 7.1970 7.1970 7.5334 7.5334 7.7124 7.7124 11.2951 11.2951 12.5504 12.5504 12.9959 12.9959 14.4772 14.4772 k = 0.2679 0.2679 0.3973 ( 2872 PWs) bands (ev): -9.5602 -9.5602 -9.3403 -9.3403 -8.4115 -8.4115 -8.3859 -8.3859 -8.1618 -8.1618 -7.5988 -7.5988 -5.9263 -5.9263 -5.8740 -5.8740 -5.8403 -5.8403 -5.7898 -5.7898 -5.6045 -5.6045 -5.1073 -5.1073 0.7131 0.7131 2.2110 2.2110 3.8477 3.8477 5.6168 5.6168 6.1104 6.1104 7.2274 7.2274 7.5224 7.5224 7.7352 7.7352 11.2427 11.2427 12.5415 12.5415 12.9794 12.9794 14.5346 14.5346 k = 0.2589 0.2589 0.3973 ( 2874 PWs) bands (ev): -9.5652 -9.5652 -9.3378 -9.3378 -8.4129 -8.4129 -8.3877 -8.3877 -8.1756 -8.1756 -7.5941 -7.5941 -5.9292 -5.9292 -5.8759 -5.8759 -5.8432 -5.8432 -5.7913 -5.7913 -5.6161 -5.6161 -5.0986 -5.0986 0.7022 0.7022 2.3119 2.3119 3.8444 3.8444 5.6688 5.6688 6.0274 6.0274 7.2567 7.2567 7.5106 7.5106 7.7561 7.7561 11.1945 11.1945 12.5278 12.5278 12.9586 12.9586 14.5966 14.5966 k = 0.2500 0.2500 0.3973 ( 2878 PWs) bands (ev): -9.5703 -9.5703 -9.3355 -9.3355 -8.4141 -8.4141 -8.3895 -8.3895 -8.1890 -8.1890 -7.5897 -7.5897 -5.9320 -5.9320 -5.8777 -5.8777 -5.8461 -5.8461 -5.7929 -5.7929 -5.6272 -5.6272 -5.0898 -5.0898 0.6898 0.6898 2.4141 2.4141 3.8459 3.8459 5.7216 5.7216 5.9455 5.9455 7.2844 7.2844 7.4984 7.4984 7.7750 7.7750 11.1509 11.1509 12.5076 12.5076 12.9364 12.9364 14.6616 14.6616 k = 0.2411 0.2411 0.3973 ( 2882 PWs) bands (ev): -9.5753 -9.5753 -9.3333 -9.3333 -8.4153 -8.4153 -8.3913 -8.3913 -8.2021 -8.2021 -7.5855 -7.5855 -5.9348 -5.9348 -5.8794 -5.8794 -5.8488 -5.8488 -5.7947 -5.7947 -5.6380 -5.6380 -5.0811 -5.0811 0.6759 0.6759 2.5174 2.5174 3.8518 3.8518 5.7741 5.7741 5.8658 5.8658 7.3101 7.3101 7.4859 7.4859 7.7921 7.7921 11.1120 11.1120 12.4795 12.4795 12.9154 12.9154 14.7274 14.7274 k = 0.2321 0.2321 0.3973 ( 2882 PWs) bands (ev): -9.5804 -9.5804 -9.3314 -9.3314 -8.4164 -8.4164 -8.3931 -8.3931 -8.2147 -8.2147 -7.5815 -7.5815 -5.9376 -5.9376 -5.8810 -5.8810 -5.8513 -5.8513 -5.7966 -5.7966 -5.6483 -5.6483 -5.0724 -5.0724 0.6607 0.6607 2.6216 2.6216 3.8621 3.8621 5.7801 5.7801 5.8346 5.8346 7.3335 7.3335 7.4732 7.4732 7.8072 7.8072 11.0783 11.0783 12.4424 12.4424 12.8976 12.8976 14.7922 14.7922 k = 0.2232 0.2232 0.3973 ( 2888 PWs) bands (ev): -9.5855 -9.5855 -9.3297 -9.3297 -8.4174 -8.4174 -8.3948 -8.3948 -8.2270 -8.2270 -7.5778 -7.5778 -5.9402 -5.9402 -5.8824 -5.8824 -5.8537 -5.8537 -5.7987 -5.7987 -5.6582 -5.6582 -5.0637 -5.0637 0.6442 0.6442 2.7265 2.7265 3.8765 3.8765 5.7050 5.7050 5.8866 5.8866 7.3540 7.3540 7.4605 7.4605 7.8207 7.8207 11.0500 11.0500 12.3965 12.3965 12.8842 12.8842 14.8537 14.8537 k = 0.2143 0.2143 0.3973 ( 2882 PWs) bands (ev): -9.5906 -9.5906 -9.3281 -9.3281 -8.4183 -8.4183 -8.3966 -8.3966 -8.2388 -8.2388 -7.5743 -7.5743 -5.9428 -5.9428 -5.8838 -5.8838 -5.8559 -5.8559 -5.8009 -5.8009 -5.6678 -5.6678 -5.0552 -5.0552 0.6267 0.6267 2.8319 2.8319 3.8947 3.8947 5.6293 5.6293 5.9414 5.9414 7.3711 7.3711 7.4480 7.4480 7.8326 7.8326 11.0271 11.0271 12.3425 12.3425 12.8755 12.8755 14.9097 14.9097 k = 0.2054 0.2054 0.3973 ( 2878 PWs) bands (ev): -9.5957 -9.5957 -9.3268 -9.3268 -8.4190 -8.4190 -8.3983 -8.3983 -8.2501 -8.2501 -7.5711 -7.5711 -5.9453 -5.9453 -5.8850 -5.8850 -5.8579 -5.8579 -5.8032 -5.8032 -5.6770 -5.6770 -5.0467 -5.0467 0.6082 0.6082 2.9375 2.9375 3.9165 3.9165 5.5553 5.5553 5.9966 5.9966 7.3839 7.3839 7.4364 7.4364 7.8430 7.8430 11.0097 11.0097 12.2821 12.2821 12.8710 12.8710 14.9578 14.9578 k = 0.1964 0.1964 0.3973 ( 2880 PWs) bands (ev): -9.6007 -9.6007 -9.3256 -9.3256 -8.4197 -8.4197 -8.4000 -8.4000 -8.2610 -8.2610 -7.5681 -7.5681 -5.9477 -5.9477 -5.8861 -5.8861 -5.8596 -5.8596 -5.8056 -5.8056 -5.6858 -5.6858 -5.0383 -5.0383 0.5890 0.5890 3.0432 3.0432 3.9415 3.9415 5.4835 5.4835 6.0519 6.0519 7.3904 7.3904 7.4272 7.4272 7.8520 7.8520 10.9977 10.9977 12.2171 12.2171 12.8699 12.8699 14.9956 14.9956 k = 0.1875 0.1875 0.3973 ( 2876 PWs) bands (ev): -9.6058 -9.6058 -9.3247 -9.3247 -8.4203 -8.4203 -8.4016 -8.4016 -8.2714 -8.2714 -7.5653 -7.5653 -5.9500 -5.9500 -5.8871 -5.8871 -5.8611 -5.8611 -5.8081 -5.8081 -5.6943 -5.6943 -5.0301 -5.0301 0.5692 0.5692 3.1487 3.1487 3.9693 3.9693 5.4141 5.4141 6.1072 6.1072 7.3882 7.3882 7.4229 7.4229 7.8599 7.8599 10.9909 10.9909 12.1494 12.1494 12.8715 12.8715 15.0207 15.0207 k = 0.1786 0.1786 0.3973 ( 2876 PWs) bands (ev): -9.6107 -9.6107 -9.3239 -9.3239 -8.4207 -8.4207 -8.4032 -8.4032 -8.2813 -8.2813 -7.5628 -7.5628 -5.9523 -5.9523 -5.8879 -5.8879 -5.8623 -5.8623 -5.8107 -5.8107 -5.7024 -5.7024 -5.0221 -5.0221 0.5491 0.5491 3.2537 3.2537 3.9997 3.9997 5.3472 5.3472 6.1622 6.1622 7.3786 7.3786 7.4218 7.4218 7.8666 7.8666 10.9887 10.9887 12.0810 12.0810 12.8751 12.8751 15.0310 15.0310 k = 0.1696 0.1696 0.3973 ( 2876 PWs) bands (ev): -9.6156 -9.6156 -9.3233 -9.3233 -8.4211 -8.4211 -8.4046 -8.4046 -8.2907 -8.2907 -7.5605 -7.5605 -5.9545 -5.9545 -5.8886 -5.8886 -5.8633 -5.8633 -5.8133 -5.8133 -5.7103 -5.7103 -5.0142 -5.0142 0.5287 0.5287 3.3579 3.3579 4.0321 4.0321 5.2830 5.2830 6.2167 6.2167 7.3655 7.3655 7.4199 7.4199 7.8724 7.8724 10.9903 10.9903 12.0139 12.0139 12.8802 12.8802 15.0249 15.0249 k = 0.1607 0.1607 0.3973 ( 2880 PWs) bands (ev): -9.6204 -9.6204 -9.3228 -9.3228 -8.4213 -8.4213 -8.4060 -8.4060 -8.2996 -8.2996 -7.5583 -7.5583 -5.9565 -5.9565 -5.8892 -5.8892 -5.8640 -5.8640 -5.8160 -5.8160 -5.7178 -5.7178 -5.0066 -5.0066 0.5083 0.5083 3.4612 3.4612 4.0661 4.0661 5.2218 5.2218 6.2707 6.2707 7.3509 7.3509 7.4155 7.4155 7.8773 7.8773 10.9947 10.9947 11.9503 11.9503 12.8863 12.8863 15.0017 15.0017 k = 0.1518 0.1518 0.3973 ( 2884 PWs) bands (ev): -9.6251 -9.6251 -9.3225 -9.3225 -8.4214 -8.4214 -8.4073 -8.4073 -8.3081 -8.3081 -7.5564 -7.5564 -5.9585 -5.9585 -5.8895 -5.8895 -5.8644 -5.8644 -5.8188 -5.8188 -5.7251 -5.7251 -4.9992 -4.9992 0.4881 0.4881 3.5632 3.5632 4.1013 4.1013 5.1638 5.1638 6.3239 6.3239 7.3350 7.3350 7.4083 7.4083 7.8813 7.8813 11.0000 11.0000 11.8928 11.8928 12.8930 12.8930 14.9616 14.9616 k = 0.1429 0.1429 0.3973 ( 2884 PWs) bands (ev): -9.6297 -9.6297 -9.3223 -9.3223 -8.4215 -8.4215 -8.4085 -8.4085 -8.3162 -8.3162 -7.5547 -7.5547 -5.9603 -5.9603 -5.8897 -5.8897 -5.8646 -5.8646 -5.8216 -5.8216 -5.7321 -5.7321 -4.9921 -4.9921 0.4681 0.4681 3.6635 3.6635 4.1371 4.1371 5.1090 5.1090 6.3761 6.3761 7.3181 7.3181 7.3982 7.3982 7.8846 7.8846 11.0042 11.0042 11.8441 11.8441 12.9002 12.9002 14.9057 14.9057 k = 0.1339 0.1339 0.3973 ( 2884 PWs) bands (ev): -9.6341 -9.6341 -9.3222 -9.3222 -8.4214 -8.4214 -8.4095 -8.4095 -8.3237 -8.3237 -7.5532 -7.5532 -5.9621 -5.9621 -5.8897 -5.8897 -5.8646 -5.8646 -5.8244 -5.8244 -5.7388 -5.7388 -4.9853 -4.9853 0.4486 0.4486 3.7619 3.7619 4.1730 4.1730 5.0579 5.0579 6.4273 6.4273 7.3001 7.3001 7.3856 7.3856 7.8873 7.8873 11.0047 11.0047 11.8072 11.8072 12.9076 12.9076 14.8356 14.8356 k = 0.1250 0.1250 0.3973 ( 2880 PWs) bands (ev): -9.6384 -9.6384 -9.3222 -9.3222 -8.4213 -8.4213 -8.4104 -8.4104 -8.3309 -8.3309 -7.5518 -7.5518 -5.9637 -5.9637 -5.8895 -5.8895 -5.8643 -5.8643 -5.8273 -5.8273 -5.7453 -5.7453 -4.9788 -4.9788 0.4298 0.4298 3.8579 3.8579 4.2086 4.2086 5.0105 5.0105 6.4772 6.4772 7.2808 7.2808 7.3710 7.3710 7.8893 7.8893 10.9991 10.9991 11.7852 11.7852 12.9149 12.9149 14.7533 14.7533 k = 0.1161 0.1161 0.3973 ( 2884 PWs) bands (ev): -9.6425 -9.6425 -9.3223 -9.3223 -8.4211 -8.4211 -8.4111 -8.4111 -8.3376 -8.3376 -7.5506 -7.5506 -5.9653 -5.9653 -5.8890 -5.8890 -5.8639 -5.8639 -5.8302 -5.8302 -5.7515 -5.7515 -4.9726 -4.9726 0.4116 0.4116 3.9512 3.9512 4.2430 4.2430 4.9673 4.9673 6.5257 6.5257 7.2601 7.2601 7.3549 7.3549 7.8908 7.8908 10.9855 10.9855 11.7801 11.7801 12.9220 12.9220 14.6610 14.6610 k = 0.1071 0.1071 0.3973 ( 2882 PWs) bands (ev): -9.6464 -9.6464 -9.3224 -9.3224 -8.4209 -8.4209 -8.4116 -8.4116 -8.3439 -8.3439 -7.5496 -7.5496 -5.9667 -5.9667 -5.8884 -5.8884 -5.8632 -5.8632 -5.8331 -5.8331 -5.7574 -5.7574 -4.9668 -4.9668 0.3943 0.3943 4.0413 4.0413 4.2759 4.2759 4.9284 4.9284 6.5725 6.5725 7.2380 7.2380 7.3377 7.3377 7.8917 7.8917 10.9636 10.9636 11.7924 11.7924 12.9288 12.9288 14.5607 14.5607 k = 0.0982 0.0982 0.3973 ( 2886 PWs) bands (ev): -9.6500 -9.6500 -9.3227 -9.3227 -8.4207 -8.4207 -8.4119 -8.4119 -8.3499 -8.3499 -7.5486 -7.5486 -5.9680 -5.9680 -5.8875 -5.8875 -5.8624 -5.8624 -5.8360 -5.8360 -5.7631 -5.7631 -4.9614 -4.9614 0.3780 0.3780 4.1276 4.1276 4.3065 4.3065 4.8942 4.8942 6.6175 6.6175 7.2145 7.2145 7.3200 7.3200 7.8923 7.8923 10.9344 10.9344 11.8214 11.8214 12.9350 12.9350 14.4541 14.4541 k = 0.0893 0.0893 0.3973 ( 2890 PWs) bands (ev): -9.6535 -9.6535 -9.3229 -9.3229 -8.4206 -8.4206 -8.4119 -8.4119 -8.3554 -8.3554 -7.5478 -7.5478 -5.9692 -5.9692 -5.8865 -5.8865 -5.8615 -5.8615 -5.8388 -5.8388 -5.7685 -5.7685 -4.9564 -4.9564 0.3628 0.3628 4.2095 4.2095 4.3343 4.3343 4.8649 4.8649 6.6605 6.6605 7.1901 7.1901 7.3021 7.3021 7.8925 7.8925 10.8998 10.8998 11.8651 11.8651 12.9404 12.9404 14.3431 14.3431 k = 0.0804 0.0804 0.3973 ( 2890 PWs) bands (ev): -9.6566 -9.6566 -9.3232 -9.3232 -8.4205 -8.4205 -8.4116 -8.4116 -8.3606 -8.3606 -7.5472 -7.5472 -5.9703 -5.9703 -5.8852 -5.8852 -5.8605 -5.8605 -5.8417 -5.8417 -5.7736 -5.7736 -4.9517 -4.9517 0.3488 0.3488 4.2859 4.2859 4.3591 4.3591 4.8408 4.8408 6.7012 6.7012 7.1651 7.1651 7.2841 7.2841 7.8924 7.8924 10.8623 10.8623 11.9209 11.9209 12.9448 12.9448 14.2294 14.2294 k = 0.0714 0.0714 0.3973 ( 2894 PWs) bands (ev): -9.6595 -9.6595 -9.3234 -9.3234 -8.4205 -8.4205 -8.4111 -8.4111 -8.3654 -8.3654 -7.5466 -7.5466 -5.9713 -5.9713 -5.8838 -5.8838 -5.8593 -5.8593 -5.8446 -5.8446 -5.7784 -5.7784 -4.9476 -4.9476 0.3360 0.3360 4.3528 4.3528 4.3841 4.3841 4.8220 4.8220 6.7393 6.7393 7.1403 7.1403 7.2662 7.2662 7.8921 7.8921 10.8239 10.8239 11.9865 11.9865 12.9480 12.9480 14.1148 14.1148 k = 0.0625 0.0625 0.3973 ( 2890 PWs) bands (ev): -9.6621 -9.6621 -9.3237 -9.3237 -8.4205 -8.4205 -8.4103 -8.4103 -8.3699 -8.3699 -7.5461 -7.5461 -5.9722 -5.9722 -5.8822 -5.8822 -5.8581 -5.8581 -5.8474 -5.8474 -5.7829 -5.7829 -4.9438 -4.9438 0.3246 0.3246 4.3871 4.3871 4.4315 4.4315 4.8083 4.8083 6.7745 6.7745 7.1166 7.1166 7.2485 7.2485 7.8916 7.8916 10.7865 10.7865 12.0596 12.0596 12.9496 12.9496 14.0009 14.0009 k = 0.0536 0.0536 0.3973 ( 2894 PWs) bands (ev): -9.6643 -9.6643 -9.3240 -9.3240 -8.4206 -8.4206 -8.4093 -8.4093 -8.3741 -8.3741 -7.5457 -7.5457 -5.9729 -5.9729 -5.8804 -5.8804 -5.8570 -5.8570 -5.8501 -5.8501 -5.7869 -5.7869 -4.9406 -4.9406 0.3145 0.3145 4.4009 4.4009 4.4883 4.4883 4.7994 4.7994 6.8062 6.8062 7.0951 7.0951 7.2310 7.2310 7.8911 7.8911 10.7517 10.7517 12.1379 12.1379 12.9491 12.9491 13.8899 13.8899 k = 0.0446 0.0446 0.3973 ( 2894 PWs) bands (ev): -9.6663 -9.6663 -9.3242 -9.3242 -8.4207 -8.4207 -8.4081 -8.4081 -8.3779 -8.3779 -7.5454 -7.5454 -5.9736 -5.9736 -5.8784 -5.8784 -5.8562 -5.8562 -5.8525 -5.8525 -5.7905 -5.7905 -4.9378 -4.9378 0.3059 0.3059 4.4093 4.4093 4.5394 4.5394 4.7943 4.7943 6.8338 6.8338 7.0769 7.0769 7.2138 7.2138 7.8905 7.8905 10.7206 10.7206 12.2190 12.2190 12.9459 12.9459 13.7845 13.7845 k = 0.0357 0.0357 0.3973 ( 2888 PWs) bands (ev): -9.6679 -9.6679 -9.3244 -9.3244 -8.4207 -8.4207 -8.4068 -8.4068 -8.3813 -8.3813 -7.5452 -7.5452 -5.9741 -5.9741 -5.8764 -5.8764 -5.8568 -5.8568 -5.8534 -5.8534 -5.7937 -5.7937 -4.9355 -4.9355 0.2988 0.2988 4.4143 4.4143 4.5826 4.5826 4.7922 4.7922 6.8564 6.8564 7.0633 7.0633 7.1973 7.1973 7.8899 7.8899 10.6940 10.6940 12.3000 12.3000 12.9393 12.9393 13.6878 13.6878 k = 0.0268 0.0268 0.3973 ( 2900 PWs) bands (ev): -9.6691 -9.6691 -9.3246 -9.3246 -8.4208 -8.4208 -8.4054 -8.4054 -8.3843 -8.3843 -7.5450 -7.5450 -5.9745 -5.9745 -5.8742 -5.8742 -5.8590 -5.8590 -5.8529 -5.8529 -5.7962 -5.7962 -4.9337 -4.9337 0.2933 0.2933 4.4171 4.4171 4.6170 4.6170 4.7920 4.7920 6.8734 6.8734 7.0551 7.0551 7.1821 7.1821 7.8894 7.8894 10.6726 10.6726 12.3768 12.3768 12.9289 12.9289 13.6042 13.6042 k = 0.0179 0.0179 0.3973 ( 2900 PWs) bands (ev): -9.6700 -9.6700 -9.3247 -9.3247 -8.4209 -8.4209 -8.4041 -8.4041 -8.3867 -8.3867 -7.5449 -7.5449 -5.9748 -5.9748 -5.8720 -5.8720 -5.8615 -5.8615 -5.8522 -5.8522 -5.7981 -5.7981 -4.9325 -4.9325 0.2893 0.2893 4.4185 4.4185 4.6421 4.6421 4.7926 4.7926 6.8844 6.8844 7.0518 7.0518 7.1691 7.1691 7.8891 7.8891 10.6570 10.6570 12.4436 12.4436 12.9154 12.9154 13.5387 13.5387 k = 0.0089 0.0089 0.3973 ( 2900 PWs) bands (ev): -9.6706 -9.6706 -9.3247 -9.3247 -8.4209 -8.4209 -8.4031 -8.4031 -8.3884 -8.3884 -7.5448 -7.5448 -5.9750 -5.9750 -5.8697 -5.8697 -5.8639 -5.8639 -5.8517 -5.8517 -5.7992 -5.7992 -4.9317 -4.9317 0.2869 0.2869 4.4190 4.4190 4.6573 4.6573 4.7933 4.7933 6.8903 6.8903 7.0517 7.0517 7.1601 7.1601 7.8889 7.8889 10.6476 10.6476 12.4913 12.4913 12.9024 12.9024 13.4968 13.4968 k = 0.0000 0.0000 0.3973 ( 2900 PWs) bands (ev): -9.6708 -9.6708 -9.3248 -9.3248 -8.4209 -8.4209 -8.4027 -8.4027 -8.3890 -8.3890 -7.5448 -7.5448 -5.9751 -5.9751 -5.8683 -5.8683 -5.8655 -5.8655 -5.8516 -5.8516 -5.7996 -5.7996 -4.9314 -4.9314 0.2861 0.2861 4.4192 4.4192 4.6624 4.6624 4.7936 4.7936 6.8921 6.8921 7.0522 7.0522 7.1567 7.1567 7.8888 7.8888 10.6444 10.6444 12.5091 12.5091 12.8967 12.8967 13.4823 13.4823 k = 0.0000 0.5000-0.0000 ( 2872 PWs) bands (ev): -9.4524 -9.4524 -9.4524 -9.4524 -8.4112 -8.4112 -8.4112 -8.4112 -7.8951 -7.8951 -7.8951 -7.8951 -5.9173 -5.9173 -5.9173 -5.9173 -5.8071 -5.8071 -5.8071 -5.8071 -5.4186 -5.4186 -5.4186 -5.4186 1.6659 1.6659 1.6659 1.6659 5.4559 5.4559 5.4559 5.4559 5.8093 5.8093 5.8093 5.8093 7.1899 7.1899 7.1899 7.1899 12.2151 12.2151 12.2151 12.2151 14.8882 14.8882 14.8882 14.8882 k = 0.0000 0.5000 0.0124 ( 2876 PWs) bands (ev): -9.4524 -9.4524 -9.4524 -9.4524 -8.4112 -8.4112 -8.4112 -8.4112 -7.8950 -7.8950 -7.8950 -7.8950 -5.9174 -5.9174 -5.9174 -5.9174 -5.8070 -5.8070 -5.8070 -5.8070 -5.4186 -5.4186 -5.4186 -5.4186 1.6656 1.6656 1.6656 1.6656 5.4547 5.4547 5.4547 5.4547 5.8090 5.8090 5.8090 5.8090 7.1920 7.1920 7.1920 7.1920 12.2143 12.2143 12.2143 12.2143 14.8881 14.8881 14.8881 14.8881 k = 0.0000 0.5000 0.0248 ( 2876 PWs) bands (ev): -9.4525 -9.4525 -9.4525 -9.4525 -8.4113 -8.4113 -8.4113 -8.4113 -7.8948 -7.8948 -7.8948 -7.8948 -5.9177 -5.9177 -5.9177 -5.9177 -5.8067 -5.8067 -5.8067 -5.8067 -5.4184 -5.4184 -5.4184 -5.4184 1.6649 1.6649 1.6649 1.6649 5.4510 5.4510 5.4510 5.4510 5.8080 5.8080 5.8080 5.8080 7.1982 7.1982 7.1982 7.1982 12.2119 12.2119 12.2119 12.2119 14.8878 14.8878 14.8878 14.8878 k = 0.0000 0.5000 0.0373 ( 2888 PWs) bands (ev): -9.4526 -9.4526 -9.4526 -9.4526 -8.4115 -8.4115 -8.4115 -8.4115 -7.8944 -7.8944 -7.8944 -7.8944 -5.9181 -5.9181 -5.9181 -5.9181 -5.8062 -5.8062 -5.8062 -5.8062 -5.4182 -5.4182 -5.4182 -5.4182 1.6638 1.6638 1.6638 1.6638 5.4450 5.4450 5.4450 5.4450 5.8065 5.8065 5.8065 5.8065 7.2084 7.2084 7.2084 7.2084 12.2079 12.2079 12.2079 12.2079 14.8873 14.8873 14.8873 14.8873 k = 0.0000 0.5000 0.0497 ( 2884 PWs) bands (ev): -9.4527 -9.4527 -9.4527 -9.4527 -8.4117 -8.4117 -8.4117 -8.4117 -7.8938 -7.8938 -7.8938 -7.8938 -5.9187 -5.9187 -5.9187 -5.9187 -5.8055 -5.8055 -5.8055 -5.8055 -5.4178 -5.4178 -5.4178 -5.4178 1.6621 1.6621 1.6621 1.6621 5.4367 5.4367 5.4367 5.4367 5.8046 5.8046 5.8046 5.8046 7.2224 7.2224 7.2224 7.2224 12.2024 12.2024 12.2024 12.2024 14.8866 14.8866 14.8866 14.8866 k = 0.0000 0.5000 0.0621 ( 2888 PWs) bands (ev): -9.4529 -9.4529 -9.4529 -9.4529 -8.4120 -8.4120 -8.4120 -8.4120 -7.8931 -7.8931 -7.8931 -7.8931 -5.9195 -5.9195 -5.9195 -5.9195 -5.8046 -5.8046 -5.8046 -5.8046 -5.4174 -5.4174 -5.4174 -5.4174 1.6600 1.6600 1.6600 1.6600 5.4261 5.4261 5.4261 5.4261 5.8024 5.8024 5.8024 5.8024 7.2400 7.2400 7.2400 7.2400 12.1954 12.1954 12.1954 12.1954 14.8857 14.8857 14.8857 14.8857 k = 0.0000 0.5000 0.0745 ( 2892 PWs) bands (ev): -9.4532 -9.4532 -9.4532 -9.4532 -8.4123 -8.4123 -8.4123 -8.4123 -7.8923 -7.8923 -7.8923 -7.8923 -5.9203 -5.9203 -5.9203 -5.9203 -5.8035 -5.8035 -5.8035 -5.8035 -5.4169 -5.4169 -5.4169 -5.4169 1.6575 1.6575 1.6575 1.6575 5.4135 5.4135 5.4135 5.4135 5.8001 5.8001 5.8001 5.8001 7.2607 7.2607 7.2607 7.2607 12.1871 12.1871 12.1871 12.1871 14.8848 14.8848 14.8848 14.8848 k = 0.0000 0.5000 0.0869 ( 2892 PWs) bands (ev): -9.4535 -9.4535 -9.4535 -9.4535 -8.4126 -8.4126 -8.4126 -8.4126 -7.8913 -7.8913 -7.8913 -7.8913 -5.9214 -5.9214 -5.9214 -5.9214 -5.8024 -5.8024 -5.8024 -5.8024 -5.4163 -5.4163 -5.4163 -5.4163 1.6546 1.6546 1.6546 1.6546 5.3990 5.3990 5.3990 5.3990 5.7977 5.7977 5.7977 5.7977 7.2842 7.2842 7.2842 7.2842 12.1774 12.1774 12.1774 12.1774 14.8837 14.8837 14.8837 14.8837 k = 0.0000 0.5000 0.0993 ( 2876 PWs) bands (ev): -9.4538 -9.4538 -9.4538 -9.4538 -8.4130 -8.4130 -8.4130 -8.4130 -7.8901 -7.8901 -7.8901 -7.8901 -5.9225 -5.9225 -5.9225 -5.9225 -5.8010 -5.8010 -5.8010 -5.8010 -5.4156 -5.4156 -5.4156 -5.4156 1.6513 1.6513 1.6513 1.6513 5.3828 5.3828 5.3828 5.3828 5.7955 5.7955 5.7955 5.7955 7.3101 7.3101 7.3101 7.3101 12.1666 12.1666 12.1666 12.1666 14.8825 14.8825 14.8825 14.8825 k = 0.0000 0.5000 0.1118 ( 2876 PWs) bands (ev): -9.4541 -9.4541 -9.4541 -9.4541 -8.4135 -8.4135 -8.4135 -8.4135 -7.8889 -7.8889 -7.8889 -7.8889 -5.9237 -5.9237 -5.9237 -5.9237 -5.7996 -5.7996 -5.7996 -5.7996 -5.4149 -5.4149 -5.4149 -5.4149 1.6477 1.6477 1.6477 1.6477 5.3651 5.3651 5.3651 5.3651 5.7935 5.7935 5.7935 5.7935 7.3380 7.3380 7.3380 7.3380 12.1547 12.1547 12.1547 12.1547 14.8812 14.8812 14.8812 14.8812 k = 0.0000 0.5000 0.1242 ( 2884 PWs) bands (ev): -9.4545 -9.4545 -9.4545 -9.4545 -8.4140 -8.4140 -8.4140 -8.4140 -7.8876 -7.8876 -7.8876 -7.8876 -5.9250 -5.9250 -5.9250 -5.9250 -5.7981 -5.7981 -5.7981 -5.7981 -5.4141 -5.4141 -5.4141 -5.4141 1.6437 1.6437 1.6437 1.6437 5.3463 5.3463 5.3463 5.3463 5.7917 5.7917 5.7917 5.7917 7.3675 7.3675 7.3675 7.3675 12.1419 12.1419 12.1419 12.1419 14.8798 14.8798 14.8798 14.8798 k = 0.0000 0.5000 0.1366 ( 2884 PWs) bands (ev): -9.4549 -9.4549 -9.4549 -9.4549 -8.4145 -8.4145 -8.4145 -8.4145 -7.8862 -7.8862 -7.8862 -7.8862 -5.9263 -5.9263 -5.9263 -5.9263 -5.7965 -5.7965 -5.7965 -5.7965 -5.4133 -5.4133 -5.4132 -5.4132 1.6395 1.6395 1.6395 1.6395 5.3265 5.3265 5.3265 5.3265 5.7902 5.7902 5.7902 5.7902 7.3983 7.3983 7.3983 7.3983 12.1282 12.1282 12.1282 12.1282 14.8783 14.8783 14.8783 14.8783 k = 0.0000 0.5000 0.1490 ( 2888 PWs) bands (ev): -9.4553 -9.4553 -9.4553 -9.4553 -8.4150 -8.4150 -8.4150 -8.4150 -7.8847 -7.8847 -7.8847 -7.8847 -5.9277 -5.9277 -5.9277 -5.9277 -5.7948 -5.7948 -5.7948 -5.7948 -5.4123 -5.4123 -5.4123 -5.4123 1.6351 1.6351 1.6351 1.6351 5.3061 5.3061 5.3061 5.3061 5.7890 5.7890 5.7890 5.7890 7.4299 7.4299 7.4299 7.4299 12.1139 12.1139 12.1139 12.1139 14.8766 14.8766 14.8766 14.8766 k = 0.0000 0.5000 0.1614 ( 2886 PWs) bands (ev): -9.4557 -9.4557 -9.4557 -9.4557 -8.4155 -8.4155 -8.4155 -8.4155 -7.8831 -7.8831 -7.8831 -7.8831 -5.9291 -5.9291 -5.9291 -5.9291 -5.7932 -5.7932 -5.7932 -5.7932 -5.4114 -5.4114 -5.4114 -5.4114 1.6304 1.6304 1.6304 1.6304 5.2853 5.2853 5.2853 5.2853 5.7882 5.7882 5.7882 5.7882 7.4620 7.4620 7.4620 7.4620 12.0991 12.0991 12.0991 12.0991 14.8748 14.8748 14.8748 14.8748 k = 0.0000 0.5000 0.1738 ( 2882 PWs) bands (ev): -9.4561 -9.4561 -9.4561 -9.4561 -8.4161 -8.4161 -8.4161 -8.4161 -7.8816 -7.8816 -7.8816 -7.8816 -5.9305 -5.9305 -5.9305 -5.9305 -5.7915 -5.7915 -5.7915 -5.7915 -5.4104 -5.4104 -5.4104 -5.4104 1.6256 1.6256 1.6256 1.6256 5.2643 5.2643 5.2643 5.2643 5.7875 5.7875 5.7875 5.7875 7.4943 7.4943 7.4943 7.4943 12.0839 12.0839 12.0839 12.0839 14.8728 14.8728 14.8728 14.8728 k = 0.0000 0.5000 0.1863 ( 2882 PWs) bands (ev): -9.4566 -9.4566 -9.4566 -9.4566 -8.4167 -8.4167 -8.4167 -8.4167 -7.8799 -7.8799 -7.8799 -7.8799 -5.9319 -5.9319 -5.9319 -5.9319 -5.7898 -5.7898 -5.7898 -5.7898 -5.4094 -5.4094 -5.4094 -5.4094 1.6207 1.6207 1.6207 1.6207 5.2434 5.2434 5.2434 5.2434 5.7872 5.7872 5.7872 5.7872 7.5265 7.5265 7.5265 7.5265 12.0686 12.0686 12.0686 12.0686 14.8705 14.8705 14.8705 14.8705 k = 0.0000 0.5000 0.1987 ( 2872 PWs) bands (ev): -9.4570 -9.4570 -9.4570 -9.4570 -8.4172 -8.4172 -8.4172 -8.4172 -7.8783 -7.8783 -7.8783 -7.8783 -5.9332 -5.9332 -5.9332 -5.9332 -5.7881 -5.7881 -5.7881 -5.7881 -5.4084 -5.4084 -5.4084 -5.4084 1.6157 1.6157 1.6157 1.6157 5.2228 5.2228 5.2228 5.2228 5.7871 5.7871 5.7871 5.7871 7.5582 7.5582 7.5582 7.5582 12.0531 12.0531 12.0531 12.0531 14.8681 14.8681 14.8681 14.8681 k = 0.0000 0.5000 0.2111 ( 2876 PWs) bands (ev): -9.4575 -9.4575 -9.4575 -9.4575 -8.4178 -8.4178 -8.4178 -8.4178 -7.8767 -7.8767 -7.8767 -7.8767 -5.9346 -5.9346 -5.9346 -5.9346 -5.7864 -5.7864 -5.7864 -5.7864 -5.4074 -5.4074 -5.4074 -5.4074 1.6107 1.6107 1.6107 1.6107 5.2027 5.2027 5.2027 5.2027 5.7871 5.7871 5.7871 5.7871 7.5893 7.5893 7.5893 7.5893 12.0378 12.0378 12.0378 12.0378 14.8653 14.8653 14.8653 14.8653 k = 0.0000 0.5000 0.2235 ( 2890 PWs) bands (ev): -9.4580 -9.4580 -9.4580 -9.4580 -8.4184 -8.4184 -8.4184 -8.4184 -7.8751 -7.8751 -7.8751 -7.8751 -5.9359 -5.9359 -5.9359 -5.9359 -5.7848 -5.7848 -5.7848 -5.7848 -5.4064 -5.4064 -5.4064 -5.4064 1.6058 1.6058 1.6058 1.6058 5.1831 5.1831 5.1831 5.1831 5.7874 5.7874 5.7874 5.7874 7.6194 7.6194 7.6194 7.6194 12.0228 12.0228 12.0228 12.0228 14.8624 14.8624 14.8624 14.8624 k = 0.0000 0.5000 0.2359 ( 2890 PWs) bands (ev): -9.4584 -9.4584 -9.4584 -9.4584 -8.4189 -8.4189 -8.4189 -8.4189 -7.8735 -7.8735 -7.8735 -7.8735 -5.9371 -5.9371 -5.9371 -5.9371 -5.7833 -5.7833 -5.7833 -5.7833 -5.4055 -5.4055 -5.4055 -5.4055 1.6009 1.6009 1.6009 1.6009 5.1644 5.1644 5.1644 5.1644 5.7877 5.7877 5.7877 5.7877 7.6483 7.6483 7.6483 7.6483 12.0081 12.0081 12.0081 12.0081 14.8592 14.8592 14.8592 14.8592 k = 0.0000 0.5000 0.2483 ( 2880 PWs) bands (ev): -9.4588 -9.4588 -9.4588 -9.4588 -8.4195 -8.4195 -8.4195 -8.4195 -7.8720 -7.8720 -7.8720 -7.8720 -5.9383 -5.9383 -5.9383 -5.9383 -5.7818 -5.7818 -5.7818 -5.7818 -5.4045 -5.4045 -5.4045 -5.4045 1.5962 1.5962 1.5962 1.5962 5.1467 5.1467 5.1467 5.1467 5.7882 5.7882 5.7882 5.7882 7.6759 7.6759 7.6759 7.6759 11.9939 11.9939 11.9939 11.9939 14.8559 14.8559 14.8559 14.8559 k = 0.0000 0.5000 0.2608 ( 2880 PWs) bands (ev): -9.4592 -9.4592 -9.4592 -9.4592 -8.4200 -8.4200 -8.4200 -8.4200 -7.8705 -7.8705 -7.8705 -7.8705 -5.9395 -5.9395 -5.9395 -5.9395 -5.7804 -5.7804 -5.7804 -5.7804 -5.4036 -5.4036 -5.4036 -5.4036 1.5916 1.5916 1.5916 1.5916 5.1300 5.1300 5.1300 5.1300 5.7888 5.7888 5.7888 5.7888 7.7019 7.7019 7.7019 7.7019 11.9804 11.9804 11.9804 11.9804 14.8524 14.8524 14.8524 14.8524 k = 0.0000 0.5000 0.2732 ( 2880 PWs) bands (ev): -9.4596 -9.4596 -9.4596 -9.4596 -8.4204 -8.4204 -8.4204 -8.4204 -7.8692 -7.8692 -7.8692 -7.8692 -5.9405 -5.9405 -5.9405 -5.9405 -5.7791 -5.7791 -5.7791 -5.7791 -5.4027 -5.4027 -5.4027 -5.4027 1.5873 1.5873 1.5873 1.5873 5.1144 5.1144 5.1144 5.1144 5.7893 5.7893 5.7893 5.7893 7.7262 7.7262 7.7262 7.7262 11.9677 11.9677 11.9677 11.9677 14.8489 14.8489 14.8489 14.8489 k = 0.0000 0.5000 0.2856 ( 2880 PWs) bands (ev): -9.4600 -9.4600 -9.4600 -9.4600 -8.4209 -8.4209 -8.4209 -8.4209 -7.8679 -7.8679 -7.8679 -7.8679 -5.9415 -5.9415 -5.9415 -5.9415 -5.7779 -5.7779 -5.7779 -5.7779 -5.4019 -5.4019 -5.4019 -5.4019 1.5832 1.5832 1.5832 1.5832 5.1001 5.1001 5.1001 5.1001 5.7899 5.7899 5.7899 5.7899 7.7486 7.7486 7.7486 7.7486 11.9559 11.9559 11.9559 11.9559 14.8454 14.8454 14.8454 14.8454 k = 0.0000 0.5000 0.2980 ( 2880 PWs) bands (ev): -9.4603 -9.4603 -9.4603 -9.4603 -8.4213 -8.4213 -8.4213 -8.4213 -7.8667 -7.8667 -7.8667 -7.8667 -5.9424 -5.9424 -5.9424 -5.9424 -5.7768 -5.7768 -5.7768 -5.7768 -5.4011 -5.4011 -5.4011 -5.4011 1.5795 1.5795 1.5795 1.5795 5.0871 5.0871 5.0871 5.0871 5.7905 5.7905 5.7905 5.7905 7.7690 7.7690 7.7690 7.7690 11.9450 11.9450 11.9450 11.9450 14.8419 14.8419 14.8419 14.8419 k = 0.0000 0.5000 0.3104 ( 2886 PWs) bands (ev): -9.4606 -9.4606 -9.4606 -9.4606 -8.4217 -8.4217 -8.4217 -8.4217 -7.8656 -7.8656 -7.8656 -7.8656 -5.9432 -5.9432 -5.9432 -5.9432 -5.7758 -5.7758 -5.7758 -5.7758 -5.4005 -5.4005 -5.4005 -5.4005 1.5761 1.5761 1.5761 1.5761 5.0755 5.0755 5.0755 5.0755 5.7911 5.7911 5.7911 5.7911 7.7873 7.7873 7.7873 7.7873 11.9352 11.9352 11.9352 11.9352 14.8387 14.8387 14.8387 14.8387 k = 0.0000 0.5000 0.3228 ( 2888 PWs) bands (ev): -9.4609 -9.4609 -9.4609 -9.4609 -8.4220 -8.4220 -8.4220 -8.4220 -7.8647 -7.8647 -7.8647 -7.8647 -5.9439 -5.9439 -5.9439 -5.9439 -5.7749 -5.7749 -5.7749 -5.7749 -5.3999 -5.3999 -5.3999 -5.3999 1.5731 1.5731 1.5731 1.5731 5.0653 5.0653 5.0653 5.0653 5.7917 5.7917 5.7917 5.7917 7.8033 7.8033 7.8033 7.8033 11.9265 11.9265 11.9265 11.9265 14.8356 14.8356 14.8356 14.8356 k = 0.0000 0.5000 0.3353 ( 2884 PWs) bands (ev): -9.4611 -9.4611 -9.4611 -9.4611 -8.4223 -8.4223 -8.4223 -8.4223 -7.8638 -7.8638 -7.8638 -7.8638 -5.9445 -5.9445 -5.9445 -5.9445 -5.7741 -5.7741 -5.7741 -5.7741 -5.3993 -5.3993 -5.3993 -5.3993 1.5704 1.5704 1.5704 1.5704 5.0567 5.0567 5.0567 5.0567 5.7922 5.7922 5.7922 5.7922 7.8170 7.8170 7.8170 7.8170 11.9191 11.9191 11.9191 11.9191 14.8330 14.8330 14.8330 14.8330 k = 0.0000 0.5000 0.3477 ( 2880 PWs) bands (ev): -9.4613 -9.4613 -9.4613 -9.4613 -8.4225 -8.4225 -8.4225 -8.4225 -7.8631 -7.8631 -7.8631 -7.8631 -5.9450 -5.9450 -5.9450 -5.9450 -5.7735 -5.7735 -5.7735 -5.7735 -5.3989 -5.3989 -5.3989 -5.3989 1.5683 1.5683 1.5683 1.5683 5.0495 5.0495 5.0495 5.0495 5.7926 5.7926 5.7926 5.7926 7.8283 7.8283 7.8283 7.8283 11.9129 11.9129 11.9129 11.9129 14.8307 14.8307 14.8307 14.8307 k = 0.0000 0.5000 0.3601 ( 2884 PWs) bands (ev): -9.4615 -9.4615 -9.4615 -9.4615 -8.4227 -8.4227 -8.4227 -8.4227 -7.8626 -7.8626 -7.8626 -7.8626 -5.9453 -5.9453 -5.9453 -5.9453 -5.7730 -5.7730 -5.7730 -5.7730 -5.3986 -5.3986 -5.3986 -5.3986 1.5666 1.5666 1.5666 1.5666 5.0439 5.0439 5.0439 5.0439 5.7929 5.7929 5.7929 5.7929 7.8372 7.8372 7.8372 7.8372 11.9081 11.9081 11.9081 11.9081 14.8288 14.8288 14.8288 14.8288 k = 0.0000 0.5000 0.3725 ( 2884 PWs) bands (ev): -9.4616 -9.4616 -9.4616 -9.4616 -8.4228 -8.4228 -8.4228 -8.4228 -7.8622 -7.8622 -7.8622 -7.8622 -5.9456 -5.9456 -5.9456 -5.9456 -5.7727 -5.7727 -5.7727 -5.7727 -5.3983 -5.3983 -5.3983 -5.3983 1.5653 1.5653 1.5653 1.5653 5.0399 5.0399 5.0399 5.0399 5.7932 5.7932 5.7932 5.7932 7.8436 7.8436 7.8436 7.8436 11.9046 11.9046 11.9046 11.9046 14.8274 14.8274 14.8274 14.8274 k = 0.0000 0.5000 0.3849 ( 2880 PWs) bands (ev): -9.4616 -9.4616 -9.4616 -9.4616 -8.4229 -8.4229 -8.4229 -8.4229 -7.8620 -7.8620 -7.8620 -7.8620 -5.9458 -5.9458 -5.9458 -5.9458 -5.7724 -5.7724 -5.7724 -5.7724 -5.3982 -5.3982 -5.3982 -5.3982 1.5646 1.5646 1.5646 1.5646 5.0375 5.0375 5.0375 5.0375 5.7933 5.7933 5.7933 5.7933 7.8474 7.8474 7.8474 7.8474 11.9025 11.9025 11.9025 11.9025 14.8266 14.8266 14.8266 14.8266 k = 0.0000 0.5000 0.3973 ( 2896 PWs) bands (ev): -9.4617 -9.4617 -9.4617 -9.4617 -8.4229 -8.4229 -8.4229 -8.4229 -7.8619 -7.8619 -7.8619 -7.8619 -5.9458 -5.9458 -5.9458 -5.9458 -5.7724 -5.7724 -5.7724 -5.7724 -5.3981 -5.3981 -5.3981 -5.3981 1.5643 1.5643 1.5643 1.5643 5.0367 5.0367 5.0367 5.0367 5.7933 5.7933 5.7933 5.7933 7.8487 7.8487 7.8487 7.8487 11.9018 11.9018 11.9018 11.9018 14.8263 14.8263 14.8263 14.8263 k = 0.5000 0.5000-0.0000 ( 2904 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3642 -8.3642 -8.3642 -8.3642 -7.7950 -7.7950 -7.7950 -7.7950 -5.8589 -5.8589 -5.8589 -5.8589 -5.7393 -5.7393 -5.7393 -5.7393 -5.3854 -5.3854 -5.3854 -5.3854 0.5953 0.5953 0.5953 0.5953 5.2902 5.2902 5.2902 5.2902 7.2091 7.2091 7.2091 7.2091 7.7337 7.7337 7.7337 7.7337 10.0749 10.0749 10.0749 10.0749 14.2129 14.2129 14.2129 14.2129 k = 0.5000 0.5000 0.0124 ( 2912 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3642 -8.3642 -8.3642 -8.3642 -7.7951 -7.7951 -7.7951 -7.7951 -5.8589 -5.8589 -5.8589 -5.8589 -5.7394 -5.7394 -5.7394 -5.7394 -5.3852 -5.3852 -5.3852 -5.3852 0.5955 0.5955 0.5955 0.5955 5.2889 5.2889 5.2889 5.2889 7.2077 7.2077 7.2077 7.2077 7.7337 7.7337 7.7337 7.7337 10.0783 10.0783 10.0783 10.0783 14.2142 14.2142 14.2142 14.2142 k = 0.5000 0.5000 0.0248 ( 2912 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3642 -8.3642 -8.3642 -8.3642 -7.7951 -7.7951 -7.7951 -7.7951 -5.8588 -5.8588 -5.8588 -5.8588 -5.7399 -5.7399 -5.7399 -5.7399 -5.3844 -5.3844 -5.3844 -5.3844 0.5960 0.5960 0.5960 0.5960 5.2852 5.2852 5.2852 5.2852 7.2034 7.2034 7.2034 7.2034 7.7336 7.7336 7.7336 7.7336 10.0887 10.0887 10.0887 10.0887 14.2180 14.2180 14.2180 14.2180 k = 0.5000 0.5000 0.0373 ( 2920 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3643 -8.3643 -8.3643 -8.3643 -7.7952 -7.7952 -7.7952 -7.7952 -5.8587 -5.8587 -5.8587 -5.8587 -5.7406 -5.7406 -5.7406 -5.7406 -5.3832 -5.3832 -5.3832 -5.3832 0.5969 0.5969 0.5969 0.5969 5.2790 5.2790 5.2790 5.2790 7.1963 7.1963 7.1963 7.1963 7.7336 7.7336 7.7336 7.7336 10.1058 10.1058 10.1058 10.1058 14.2241 14.2241 14.2241 14.2241 k = 0.5000 0.5000 0.0497 ( 2924 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3644 -8.3644 -8.3644 -8.3644 -7.7953 -7.7953 -7.7953 -7.7953 -5.8585 -5.8585 -5.8585 -5.8585 -5.7416 -5.7416 -5.7416 -5.7416 -5.3814 -5.3814 -5.3814 -5.3814 0.5982 0.5982 0.5982 0.5982 5.2705 5.2705 5.2705 5.2705 7.1864 7.1864 7.1864 7.1864 7.7336 7.7336 7.7336 7.7336 10.1296 10.1296 10.1296 10.1296 14.2326 14.2326 14.2326 14.2326 k = 0.5000 0.5000 0.0621 ( 2924 PWs) bands (ev): -9.4435 -9.4435 -9.4435 -9.4435 -8.3645 -8.3645 -8.3645 -8.3645 -7.7954 -7.7954 -7.7954 -7.7954 -5.8583 -5.8583 -5.8583 -5.8583 -5.7429 -5.7429 -5.7429 -5.7429 -5.3793 -5.3793 -5.3793 -5.3793 0.5998 0.5998 0.5998 0.5998 5.2597 5.2597 5.2597 5.2597 7.1740 7.1740 7.1740 7.1740 7.7335 7.7335 7.7335 7.7335 10.1601 10.1601 10.1601 10.1601 14.2431 14.2431 14.2431 14.2431 k = 0.5000 0.5000 0.0745 ( 2924 PWs) bands (ev): -9.4434 -9.4434 -9.4434 -9.4434 -8.3647 -8.3647 -8.3647 -8.3647 -7.7955 -7.7955 -7.7955 -7.7955 -5.8581 -5.8581 -5.8581 -5.8581 -5.7444 -5.7444 -5.7444 -5.7444 -5.3767 -5.3767 -5.3767 -5.3767 0.6017 0.6017 0.6017 0.6017 5.2469 5.2469 5.2469 5.2469 7.1590 7.1590 7.1590 7.1590 7.7335 7.7335 7.7335 7.7335 10.1970 10.1970 10.1970 10.1970 14.2555 14.2555 14.2555 14.2555 k = 0.5000 0.5000 0.0869 ( 2908 PWs) bands (ev): -9.4434 -9.4434 -9.4434 -9.4434 -8.3648 -8.3648 -8.3648 -8.3648 -7.7957 -7.7957 -7.7957 -7.7957 -5.8578 -5.8578 -5.8578 -5.8578 -5.7461 -5.7461 -5.7461 -5.7461 -5.3737 -5.3737 -5.3737 -5.3737 0.6039 0.6039 0.6039 0.6039 5.2321 5.2321 5.2321 5.2321 7.1418 7.1418 7.1418 7.1418 7.7335 7.7335 7.7335 7.7335 10.2401 10.2401 10.2401 10.2401 14.2694 14.2694 14.2694 14.2694 k = 0.5000 0.5000 0.0993 ( 2900 PWs) bands (ev): -9.4434 -9.4434 -9.4434 -9.4434 -8.3650 -8.3650 -8.3650 -8.3650 -7.7959 -7.7959 -7.7959 -7.7959 -5.8574 -5.8574 -5.8574 -5.8574 -5.7481 -5.7481 -5.7481 -5.7481 -5.3703 -5.3703 -5.3703 -5.3703 0.6064 0.6064 0.6064 0.6064 5.2157 5.2157 5.2157 5.2157 7.1225 7.1225 7.1225 7.1225 7.7334 7.7334 7.7334 7.7334 10.2893 10.2893 10.2893 10.2893 14.2844 14.2844 14.2844 14.2844 k = 0.5000 0.5000 0.1118 ( 2900 PWs) bands (ev): -9.4434 -9.4434 -9.4434 -9.4434 -8.3652 -8.3652 -8.3652 -8.3652 -7.7961 -7.7961 -7.7961 -7.7961 -5.8571 -5.8571 -5.8571 -5.8571 -5.7502 -5.7502 -5.7502 -5.7502 -5.3667 -5.3667 -5.3667 -5.3667 0.6092 0.6092 0.6092 0.6092 5.1978 5.1978 5.1978 5.1978 7.1013 7.1013 7.1013 7.1013 7.7333 7.7333 7.7333 7.7333 10.3444 10.3444 10.3444 10.3444 14.3003 14.3003 14.3003 14.3003 k = 0.5000 0.5000 0.1242 ( 2900 PWs) bands (ev): -9.4434 -9.4434 -9.4434 -9.4434 -8.3655 -8.3655 -8.3655 -8.3655 -7.7963 -7.7963 -7.7963 -7.7963 -5.8566 -5.8566 -5.8566 -5.8566 -5.7525 -5.7525 -5.7525 -5.7525 -5.3627 -5.3627 -5.3627 -5.3627 0.6122 0.6122 0.6122 0.6122 5.1787 5.1787 5.1787 5.1787 7.0784 7.0784 7.0784 7.0784 7.7332 7.7332 7.7332 7.7332 10.4050 10.4050 10.4050 10.4050 14.3165 14.3165 14.3165 14.3165 k = 0.5000 0.5000 0.1366 ( 2900 PWs) bands (ev): -9.4433 -9.4433 -9.4433 -9.4433 -8.3657 -8.3657 -8.3657 -8.3657 -7.7965 -7.7965 -7.7965 -7.7965 -5.8561 -5.8561 -5.8561 -5.8561 -5.7549 -5.7549 -5.7549 -5.7549 -5.3586 -5.3586 -5.3586 -5.3586 0.6154 0.6154 0.6154 0.6154 5.1585 5.1585 5.1585 5.1585 7.0541 7.0541 7.0541 7.0541 7.7332 7.7332 7.7332 7.7332 10.4709 10.4709 10.4709 10.4709 14.3328 14.3328 14.3328 14.3328 k = 0.5000 0.5000 0.1490 ( 2900 PWs) bands (ev): -9.4433 -9.4433 -9.4433 -9.4433 -8.3660 -8.3660 -8.3660 -8.3660 -7.7968 -7.7968 -7.7968 -7.7968 -5.8556 -5.8556 -5.8556 -5.8556 -5.7574 -5.7574 -5.7574 -5.7574 -5.3543 -5.3543 -5.3543 -5.3543 0.6188 0.6188 0.6188 0.6188 5.1375 5.1375 5.1375 5.1375 7.0287 7.0287 7.0287 7.0287 7.7331 7.7331 7.7331 7.7331 10.5419 10.5419 10.5419 10.5419 14.3485 14.3485 14.3485 14.3485 k = 0.5000 0.5000 0.1614 ( 2892 PWs) bands (ev): -9.4433 -9.4433 -9.4433 -9.4433 -8.3662 -8.3662 -8.3662 -8.3662 -7.7970 -7.7970 -7.7970 -7.7970 -5.8550 -5.8550 -5.8550 -5.8550 -5.7599 -5.7599 -5.7599 -5.7599 -5.3498 -5.3498 -5.3498 -5.3498 0.6224 0.6224 0.6224 0.6224 5.1160 5.1160 5.1160 5.1160 7.0024 7.0024 7.0024 7.0024 7.7330 7.7330 7.7330 7.7330 10.6175 10.6175 10.6175 10.6175 14.3632 14.3632 14.3632 14.3632 k = 0.5000 0.5000 0.1738 ( 2876 PWs) bands (ev): -9.4433 -9.4433 -9.4433 -9.4433 -8.3665 -8.3665 -8.3665 -8.3665 -7.7973 -7.7973 -7.7973 -7.7973 -5.8544 -5.8544 -5.8544 -5.8544 -5.7626 -5.7626 -5.7626 -5.7626 -5.3452 -5.3452 -5.3452 -5.3452 0.6261 0.6261 0.6261 0.6261 5.0941 5.0941 5.0941 5.0941 6.9754 6.9754 6.9754 6.9754 7.7329 7.7329 7.7329 7.7329 10.6976 10.6976 10.6976 10.6976 14.3763 14.3763 14.3763 14.3763 k = 0.5000 0.5000 0.1863 ( 2884 PWs) bands (ev): -9.4432 -9.4432 -9.4432 -9.4432 -8.3668 -8.3668 -8.3668 -8.3668 -7.7975 -7.7975 -7.7975 -7.7975 -5.8537 -5.8537 -5.8537 -5.8537 -5.7652 -5.7652 -5.7652 -5.7652 -5.3407 -5.3407 -5.3407 -5.3407 0.6299 0.6299 0.6299 0.6299 5.0721 5.0721 5.0721 5.0721 6.9482 6.9482 6.9482 6.9482 7.7328 7.7328 7.7328 7.7328 10.7818 10.7818 10.7818 10.7818 14.3869 14.3869 14.3869 14.3869 k = 0.5000 0.5000 0.1987 ( 2892 PWs) bands (ev): -9.4432 -9.4432 -9.4432 -9.4432 -8.3671 -8.3671 -8.3671 -8.3671 -7.7978 -7.7978 -7.7978 -7.7978 -5.8530 -5.8530 -5.8530 -5.8530 -5.7679 -5.7679 -5.7679 -5.7679 -5.3361 -5.3361 -5.3361 -5.3361 0.6337 0.6337 0.6337 0.6337 5.0502 5.0502 5.0502 5.0502 6.9208 6.9208 6.9208 6.9208 7.7327 7.7327 7.7327 7.7327 10.8698 10.8698 10.8698 10.8698 14.3941 14.3941 14.3941 14.3941 k = 0.5000 0.5000 0.2111 ( 2888 PWs) bands (ev): -9.4432 -9.4432 -9.4432 -9.4432 -8.3674 -8.3674 -8.3674 -8.3674 -7.7981 -7.7981 -7.7981 -7.7981 -5.8523 -5.8523 -5.8523 -5.8523 -5.7706 -5.7706 -5.7706 -5.7706 -5.3316 -5.3316 -5.3316 -5.3316 0.6376 0.6376 0.6376 0.6376 5.0286 5.0286 5.0286 5.0286 6.8937 6.8937 6.8937 6.8937 7.7326 7.7326 7.7326 7.7326 10.9612 10.9612 10.9612 10.9612 14.3967 14.3967 14.3967 14.3967 k = 0.5000 0.5000 0.2235 ( 2888 PWs) bands (ev): -9.4432 -9.4432 -9.4432 -9.4432 -8.3677 -8.3677 -8.3677 -8.3677 -7.7983 -7.7983 -7.7983 -7.7983 -5.8515 -5.8515 -5.8515 -5.8515 -5.7732 -5.7732 -5.7732 -5.7732 -5.3271 -5.3271 -5.3271 -5.3271 0.6414 0.6414 0.6414 0.6414 5.0076 5.0076 5.0076 5.0076 6.8670 6.8670 6.8670 6.8670 7.7325 7.7325 7.7325 7.7325 11.0556 11.0556 11.0556 11.0556 14.3929 14.3929 14.3929 14.3929 k = 0.5000 0.5000 0.2359 ( 2876 PWs) bands (ev): -9.4431 -9.4431 -9.4431 -9.4431 -8.3679 -8.3679 -8.3679 -8.3679 -7.7986 -7.7986 -7.7986 -7.7986 -5.8507 -5.8507 -5.8507 -5.8507 -5.7758 -5.7758 -5.7758 -5.7758 -5.3228 -5.3228 -5.3228 -5.3228 0.6452 0.6452 0.6452 0.6452 4.9872 4.9872 4.9872 4.9872 6.8410 6.8410 6.8410 6.8410 7.7324 7.7324 7.7324 7.7324 11.1526 11.1526 11.1526 11.1526 14.3805 14.3805 14.3805 14.3805 k = 0.5000 0.5000 0.2483 ( 2876 PWs) bands (ev): -9.4431 -9.4431 -9.4431 -9.4431 -8.3682 -8.3682 -8.3682 -8.3682 -7.7988 -7.7988 -7.7988 -7.7988 -5.8499 -5.8499 -5.8499 -5.8499 -5.7784 -5.7784 -5.7784 -5.7784 -5.3186 -5.3186 -5.3186 -5.3186 0.6488 0.6488 0.6488 0.6488 4.9676 4.9676 4.9676 4.9676 6.8159 6.8159 6.8159 6.8159 7.7323 7.7323 7.7323 7.7323 11.2518 11.2518 11.2518 11.2518 14.3568 14.3568 14.3568 14.3568 k = 0.5000 0.5000 0.2608 ( 2876 PWs) bands (ev): -9.4431 -9.4431 -9.4431 -9.4431 -8.3685 -8.3685 -8.3685 -8.3685 -7.7990 -7.7990 -7.7990 -7.7990 -5.8490 -5.8490 -5.8490 -5.8490 -5.7808 -5.7808 -5.7808 -5.7808 -5.3147 -5.3147 -5.3147 -5.3147 0.6524 0.6524 0.6524 0.6524 4.9490 4.9490 4.9490 4.9490 6.7920 6.7920 6.7920 6.7920 7.7322 7.7322 7.7322 7.7322 11.3526 11.3526 11.3526 11.3526 14.3189 14.3189 14.3189 14.3189 k = 0.5000 0.5000 0.2732 ( 2876 PWs) bands (ev): -9.4431 -9.4431 -9.4431 -9.4431 -8.3687 -8.3687 -8.3687 -8.3687 -7.7993 -7.7993 -7.7993 -7.7993 -5.8482 -5.8482 -5.8482 -5.8482 -5.7831 -5.7831 -5.7831 -5.7831 -5.3109 -5.3109 -5.3109 -5.3109 0.6558 0.6558 0.6558 0.6558 4.9316 4.9316 4.9316 4.9316 6.7694 6.7694 6.7694 6.7694 7.7321 7.7321 7.7321 7.7321 11.4545 11.4545 11.4545 11.4545 14.2654 14.2654 14.2654 14.2654 k = 0.5000 0.5000 0.2856 ( 2900 PWs) bands (ev): -9.4430 -9.4430 -9.4430 -9.4430 -8.3690 -8.3690 -8.3690 -8.3690 -7.7995 -7.7995 -7.7995 -7.7995 -5.8473 -5.8473 -5.8473 -5.8473 -5.7854 -5.7854 -5.7854 -5.7854 -5.3075 -5.3075 -5.3075 -5.3075 0.6589 0.6589 0.6589 0.6589 4.9155 4.9155 4.9155 4.9155 6.7484 6.7484 6.7484 6.7484 7.7320 7.7320 7.7320 7.7320 11.5566 11.5566 11.5566 11.5566 14.1971 14.1971 14.1971 14.1971 k = 0.5000 0.5000 0.2980 ( 2900 PWs) bands (ev): -9.4430 -9.4430 -9.4430 -9.4430 -8.3692 -8.3692 -8.3692 -8.3692 -7.7997 -7.7997 -7.7997 -7.7997 -5.8465 -5.8465 -5.8465 -5.8465 -5.7875 -5.7875 -5.7875 -5.7875 -5.3043 -5.3043 -5.3043 -5.3043 0.6619 0.6619 0.6619 0.6619 4.9007 4.9007 4.9007 4.9007 6.7291 6.7291 6.7291 6.7291 7.7319 7.7319 7.7319 7.7319 11.6581 11.6581 11.6581 11.6581 14.1171 14.1171 14.1171 14.1171 k = 0.5000 0.5000 0.3104 ( 2884 PWs) bands (ev): -9.4430 -9.4430 -9.4430 -9.4430 -8.3694 -8.3694 -8.3694 -8.3694 -7.7998 -7.7998 -7.7998 -7.7998 -5.8456 -5.8456 -5.8456 -5.8456 -5.7894 -5.7894 -5.7894 -5.7894 -5.3014 -5.3014 -5.3014 -5.3014 0.6646 0.6646 0.6646 0.6646 4.8875 4.8875 4.8875 4.8875 6.7117 6.7117 6.7117 6.7117 7.7318 7.7318 7.7318 7.7318 11.7579 11.7579 11.7579 11.7579 14.0298 14.0298 14.0298 14.0298 k = 0.5000 0.5000 0.3228 ( 2884 PWs) bands (ev): -9.4430 -9.4430 -9.4430 -9.4430 -8.3696 -8.3696 -8.3696 -8.3696 -7.8000 -7.8000 -7.8000 -7.8000 -5.8449 -5.8449 -5.8449 -5.8449 -5.7911 -5.7911 -5.7911 -5.7911 -5.2989 -5.2989 -5.2989 -5.2989 0.6669 0.6669 0.6669 0.6669 4.8758 4.8758 4.8758 4.8758 6.6964 6.6964 6.6964 6.6964 7.7318 7.7318 7.7318 7.7318 11.8543 11.8543 11.8543 11.8543 13.9397 13.9397 13.9397 13.9397 k = 0.5000 0.5000 0.3353 ( 2884 PWs) bands (ev): -9.4430 -9.4430 -9.4430 -9.4430 -8.3697 -8.3697 -8.3697 -8.3697 -7.8001 -7.8001 -7.8001 -7.8001 -5.8442 -5.8442 -5.8442 -5.8442 -5.7926 -5.7926 -5.7926 -5.7926 -5.2967 -5.2967 -5.2967 -5.2967 0.6690 0.6690 0.6690 0.6690 4.8658 4.8658 4.8658 4.8658 6.6831 6.6831 6.6831 6.6831 7.7317 7.7317 7.7317 7.7317 11.9454 11.9454 11.9454 11.9454 13.8511 13.8511 13.8511 13.8511 k = 0.5000 0.5000 0.3477 ( 2884 PWs) bands (ev): -9.4430 -9.4430 -9.4430 -9.4430 -8.3698 -8.3698 -8.3698 -8.3698 -7.8002 -7.8002 -7.8002 -7.8002 -5.8436 -5.8436 -5.8436 -5.8436 -5.7939 -5.7939 -5.7939 -5.7939 -5.2949 -5.2949 -5.2949 -5.2949 0.6707 0.6707 0.6707 0.6707 4.8575 4.8575 4.8575 4.8575 6.6722 6.6722 6.6722 6.6722 7.7317 7.7317 7.7317 7.7317 12.0286 12.0286 12.0286 12.0286 13.7683 13.7683 13.7683 13.7683 k = 0.5000 0.5000 0.3601 ( 2884 PWs) bands (ev): -9.4429 -9.4429 -9.4429 -9.4429 -8.3699 -8.3699 -8.3699 -8.3699 -7.8003 -7.8003 -7.8003 -7.8003 -5.8431 -5.8431 -5.8431 -5.8431 -5.7950 -5.7950 -5.7950 -5.7950 -5.2935 -5.2935 -5.2935 -5.2935 0.6721 0.6721 0.6721 0.6721 4.8510 4.8510 4.8510 4.8510 6.6635 6.6635 6.6635 6.6635 7.7317 7.7317 7.7317 7.7317 12.1003 12.1003 12.1003 12.1003 13.6960 13.6960 13.6960 13.6960 k = 0.5000 0.5000 0.3725 ( 2880 PWs) bands (ev): -9.4429 -9.4429 -9.4429 -9.4429 -8.3700 -8.3700 -8.3700 -8.3700 -7.8004 -7.8004 -7.8004 -7.8004 -5.8427 -5.8427 -5.8427 -5.8427 -5.7957 -5.7957 -5.7957 -5.7957 -5.2925 -5.2925 -5.2925 -5.2925 0.6730 0.6730 0.6730 0.6730 4.8463 4.8463 4.8463 4.8463 6.6573 6.6573 6.6573 6.6573 7.7316 7.7316 7.7316 7.7316 12.1564 12.1564 12.1564 12.1564 13.6391 13.6391 13.6391 13.6391 k = 0.5000 0.5000 0.3849 ( 2880 PWs) bands (ev): -9.4429 -9.4429 -9.4429 -9.4429 -8.3701 -8.3701 -8.3701 -8.3701 -7.8004 -7.8004 -7.8004 -7.8004 -5.8425 -5.8425 -5.8425 -5.8425 -5.7962 -5.7962 -5.7962 -5.7962 -5.2919 -5.2919 -5.2919 -5.2919 0.6736 0.6736 0.6736 0.6736 4.8435 4.8435 4.8435 4.8435 6.6536 6.6536 6.6536 6.6536 7.7316 7.7316 7.7316 7.7316 12.1925 12.1925 12.1925 12.1925 13.6023 13.6023 13.6023 13.6023 k = 0.5000 0.5000 0.3973 ( 2880 PWs) bands (ev): -9.4429 -9.4429 -9.4429 -9.4429 -8.3701 -8.3701 -8.3701 -8.3701 -7.8004 -7.8004 -7.8004 -7.8004 -5.8424 -5.8424 -5.8424 -5.8424 -5.7964 -5.7964 -5.7964 -5.7964 -5.2916 -5.2916 -5.2916 -5.2916 0.6738 0.6738 0.6738 0.6738 4.8426 4.8426 4.8426 4.8426 6.6524 6.6524 6.6524 6.6524 7.7316 7.7316 7.7316 7.7316 12.2050 12.2050 12.2050 12.2050 13.5895 13.5895 13.5895 13.5895 Writing output data file PbO.save init_run : 0.35s CPU 0.49s WALL ( 1 calls) electrons : 106.08s CPU 108.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 106.07s CPU 108.24s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 377 calls) cegterg : 97.04s CPU 98.65s WALL ( 377 calls) Called by sum_band: Called by *egterg: h_psi : 52.04s CPU 53.58s WALL ( 7210 calls) s_psi : 3.76s CPU 3.76s WALL ( 7210 calls) g_psi : 0.14s CPU 0.14s WALL ( 6456 calls) cdiaghg : 38.81s CPU 38.95s WALL ( 6833 calls) cegterg:over : 3.46s CPU 3.68s WALL ( 6456 calls) cegterg:upda : 2.42s CPU 2.47s WALL ( 6456 calls) cegterg:last : 1.81s CPU 1.75s WALL ( 1131 calls) cdiaghg:chol : 2.09s CPU 2.03s WALL ( 6833 calls) cdiaghg:inve : 1.34s CPU 1.34s WALL ( 6833 calls) cdiaghg:para : 2.18s CPU 2.23s WALL ( 13666 calls) Called by h_psi: h_psi:vloc : 46.55s CPU 47.82s WALL ( 7210 calls) h_psi:vnl : 5.43s CPU 5.64s WALL ( 7210 calls) add_vuspsi : 2.80s CPU 2.88s WALL ( 7210 calls) General routines calbec : 2.60s CPU 2.74s WALL ( 7210 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.87s CPU 44.89s WALL ( 696988 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.19s WALL ( 754 calls) Parallel routines fft_scatter : 17.19s CPU 17.52s WALL ( 697011 calls) PWSCF : 1m59.92s CPU 2m14.36s WALL This run was terminated on: 21: 5: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=