Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:37:55 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: ./CaCoSi.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 40 11 2028 2028 309 Max 41 41 12 2036 2036 318 Sum 1441 1441 421 73181 73181 11285 bravais-lattice index = 14 lattice parameter (alat) = 7.5153 a.u. unit-cell volume = 756.6078 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.515251 celldm(2)= 1.000000 celldm(3)= 1.782544 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 1.782544 ) 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 0.560996 ) PseudoPot. # 1 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Co 17.00 58.93320 Co( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028571 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028571 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028571 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0028571 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028571 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028571 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028571 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028571 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028571 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028571 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028571 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028571 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028571 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028571 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028571 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028571 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0028571 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028571 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028571 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028571 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028571 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028571 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028571 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028571 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028571 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028571 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028571 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0028571 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028571 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028571 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028571 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0028571 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028571 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028571 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028571 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028571 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028571 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028571 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028571 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028571 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0028571 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028571 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028571 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0028571 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028571 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0028571 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028571 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0028571 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028571 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028571 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028571 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028571 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028571 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028571 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028571 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028571 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028571 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028571 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028571 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0028571 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0028571 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028571 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028571 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028571 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028571 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028571 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028571 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028571 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0028571 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028571 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0028571 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0028571 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028571 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028571 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028571 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028571 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0028571 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028571 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0028571 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028571 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0028571 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028571 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0028571 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0028571 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0028571 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028571 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028571 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028571 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028571 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028571 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0028571 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028571 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0028571 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028571 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028571 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028571 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0028571 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028571 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0028571 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028571 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028571 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028571 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0028571 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028571 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028571 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028571 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0028571 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028571 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0028571 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028571 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028571 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028571 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0028571 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028571 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0028571 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028571 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028571 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028571 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028571 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 141) = ( 0.0000000 0.0000000 0.0121956), wk = 0.0028571 k( 142) = ( 0.0000000 0.0000000 0.0243911), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0365867), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0487823), wk = 0.0028571 k( 145) = ( 0.0000000 0.0000000 0.0609778), wk = 0.0028571 k( 146) = ( 0.0000000 0.0000000 0.0731734), wk = 0.0028571 k( 147) = ( 0.0000000 0.0000000 0.0853689), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.0975645), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.1097601), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.1219556), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.1341512), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.1463468), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.1585423), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.1707379), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.1829335), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.1951290), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.2073246), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.2195201), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.2317157), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.2439113), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.2561068), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.2683024), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.2804980), wk = 0.0028571 k( 164) = ( 0.0000000 0.0000000 0.2804980), wk = 0.0028571 k( 165) = ( 0.0000000 0.0125000 0.2804980), wk = 0.0028571 k( 166) = ( 0.0000000 0.0250000 0.2804980), wk = 0.0028571 k( 167) = ( 0.0000000 0.0375000 0.2804980), wk = 0.0028571 k( 168) = ( 0.0000000 0.0500000 0.2804980), wk = 0.0028571 k( 169) = ( 0.0000000 0.0625000 0.2804980), wk = 0.0028571 k( 170) = ( 0.0000000 0.0750000 0.2804980), wk = 0.0028571 k( 171) = ( 0.0000000 0.0875000 0.2804980), wk = 0.0028571 k( 172) = ( 0.0000000 0.1000000 0.2804980), wk = 0.0028571 k( 173) = ( 0.0000000 0.1125000 0.2804980), wk = 0.0028571 k( 174) = ( 0.0000000 0.1250000 0.2804980), wk = 0.0028571 k( 175) = ( 0.0000000 0.1375000 0.2804980), wk = 0.0028571 k( 176) = ( 0.0000000 0.1500000 0.2804980), wk = 0.0028571 k( 177) = ( 0.0000000 0.1625000 0.2804980), wk = 0.0028571 k( 178) = ( 0.0000000 0.1750000 0.2804980), wk = 0.0028571 k( 179) = ( 0.0000000 0.1875000 0.2804980), wk = 0.0028571 k( 180) = ( 0.0000000 0.2000000 0.2804980), wk = 0.0028571 k( 181) = ( 0.0000000 0.2125000 0.2804980), wk = 0.0028571 k( 182) = ( 0.0000000 0.2250000 0.2804980), wk = 0.0028571 k( 183) = ( 0.0000000 0.2375000 0.2804980), wk = 0.0028571 k( 184) = ( 0.0000000 0.2500000 0.2804980), wk = 0.0028571 k( 185) = ( 0.0000000 0.2625000 0.2804980), wk = 0.0028571 k( 186) = ( 0.0000000 0.2750000 0.2804980), wk = 0.0028571 k( 187) = ( 0.0000000 0.2875000 0.2804980), wk = 0.0028571 k( 188) = ( 0.0000000 0.3000000 0.2804980), wk = 0.0028571 k( 189) = ( 0.0000000 0.3125000 0.2804980), wk = 0.0028571 k( 190) = ( 0.0000000 0.3250000 0.2804980), wk = 0.0028571 k( 191) = ( 0.0000000 0.3375000 0.2804980), wk = 0.0028571 k( 192) = ( 0.0000000 0.3500000 0.2804980), wk = 0.0028571 k( 193) = ( 0.0000000 0.3625000 0.2804980), wk = 0.0028571 k( 194) = ( 0.0000000 0.3750000 0.2804980), wk = 0.0028571 k( 195) = ( 0.0000000 0.3875000 0.2804980), wk = 0.0028571 k( 196) = ( 0.0000000 0.4000000 0.2804980), wk = 0.0028571 k( 197) = ( 0.0000000 0.4125000 0.2804980), wk = 0.0028571 k( 198) = ( 0.0000000 0.4250000 0.2804980), wk = 0.0028571 k( 199) = ( 0.0000000 0.4375000 0.2804980), wk = 0.0028571 k( 200) = ( 0.0000000 0.4500000 0.2804980), wk = 0.0028571 k( 201) = ( 0.0000000 0.4625000 0.2804980), wk = 0.0028571 k( 202) = ( 0.0000000 0.4750000 0.2804980), wk = 0.0028571 k( 203) = ( 0.0000000 0.4875000 0.2804980), wk = 0.0028571 k( 204) = ( 0.0000000 0.5000000 0.2804980), wk = 0.0028571 k( 205) = ( 0.0000000 0.5000000 0.2804980), wk = 0.0028571 k( 206) = ( 0.0125000 0.5000000 0.2804980), wk = 0.0028571 k( 207) = ( 0.0250000 0.5000000 0.2804980), wk = 0.0028571 k( 208) = ( 0.0375000 0.5000000 0.2804980), wk = 0.0028571 k( 209) = ( 0.0500000 0.5000000 0.2804980), wk = 0.0028571 k( 210) = ( 0.0625000 0.5000000 0.2804980), wk = 0.0028571 k( 211) = ( 0.0750000 0.5000000 0.2804980), wk = 0.0028571 k( 212) = ( 0.0875000 0.5000000 0.2804980), wk = 0.0028571 k( 213) = ( 0.1000000 0.5000000 0.2804980), wk = 0.0028571 k( 214) = ( 0.1125000 0.5000000 0.2804980), wk = 0.0028571 k( 215) = ( 0.1250000 0.5000000 0.2804980), wk = 0.0028571 k( 216) = ( 0.1375000 0.5000000 0.2804980), wk = 0.0028571 k( 217) = ( 0.1500000 0.5000000 0.2804980), wk = 0.0028571 k( 218) = ( 0.1625000 0.5000000 0.2804980), wk = 0.0028571 k( 219) = ( 0.1750000 0.5000000 0.2804980), wk = 0.0028571 k( 220) = ( 0.1875000 0.5000000 0.2804980), wk = 0.0028571 k( 221) = ( 0.2000000 0.5000000 0.2804980), wk = 0.0028571 k( 222) = ( 0.2125000 0.5000000 0.2804980), wk = 0.0028571 k( 223) = ( 0.2250000 0.5000000 0.2804980), wk = 0.0028571 k( 224) = ( 0.2375000 0.5000000 0.2804980), wk = 0.0028571 k( 225) = ( 0.2500000 0.5000000 0.2804980), wk = 0.0028571 k( 226) = ( 0.2625000 0.5000000 0.2804980), wk = 0.0028571 k( 227) = ( 0.2750000 0.5000000 0.2804980), wk = 0.0028571 k( 228) = ( 0.2875000 0.5000000 0.2804980), wk = 0.0028571 k( 229) = ( 0.3000000 0.5000000 0.2804980), wk = 0.0028571 k( 230) = ( 0.3125000 0.5000000 0.2804980), wk = 0.0028571 k( 231) = ( 0.3250000 0.5000000 0.2804980), wk = 0.0028571 k( 232) = ( 0.3375000 0.5000000 0.2804980), wk = 0.0028571 k( 233) = ( 0.3500000 0.5000000 0.2804980), wk = 0.0028571 k( 234) = ( 0.3625000 0.5000000 0.2804980), wk = 0.0028571 k( 235) = ( 0.3750000 0.5000000 0.2804980), wk = 0.0028571 k( 236) = ( 0.3875000 0.5000000 0.2804980), wk = 0.0028571 k( 237) = ( 0.4000000 0.5000000 0.2804980), wk = 0.0028571 k( 238) = ( 0.4125000 0.5000000 0.2804980), wk = 0.0028571 k( 239) = ( 0.4250000 0.5000000 0.2804980), wk = 0.0028571 k( 240) = ( 0.4375000 0.5000000 0.2804980), wk = 0.0028571 k( 241) = ( 0.4500000 0.5000000 0.2804980), wk = 0.0028571 k( 242) = ( 0.4625000 0.5000000 0.2804980), wk = 0.0028571 k( 243) = ( 0.4750000 0.5000000 0.2804980), wk = 0.0028571 k( 244) = ( 0.4875000 0.5000000 0.2804980), wk = 0.0028571 k( 245) = ( 0.5000000 0.5000000 0.2804980), wk = 0.0028571 k( 246) = ( 0.5000000 0.5000000 0.2804980), wk = 0.0028571 k( 247) = ( 0.4910714 0.4910714 0.2804980), wk = 0.0028571 k( 248) = ( 0.4821429 0.4821429 0.2804980), wk = 0.0028571 k( 249) = ( 0.4732143 0.4732143 0.2804980), wk = 0.0028571 k( 250) = ( 0.4642857 0.4642857 0.2804980), wk = 0.0028571 k( 251) = ( 0.4553571 0.4553571 0.2804980), wk = 0.0028571 k( 252) = ( 0.4464286 0.4464286 0.2804980), wk = 0.0028571 k( 253) = ( 0.4375000 0.4375000 0.2804980), wk = 0.0028571 k( 254) = ( 0.4285714 0.4285714 0.2804980), wk = 0.0028571 k( 255) = ( 0.4196429 0.4196429 0.2804980), wk = 0.0028571 k( 256) = ( 0.4107143 0.4107143 0.2804980), wk = 0.0028571 k( 257) = ( 0.4017857 0.4017857 0.2804980), wk = 0.0028571 k( 258) = ( 0.3928571 0.3928571 0.2804980), wk = 0.0028571 k( 259) = ( 0.3839286 0.3839286 0.2804980), wk = 0.0028571 k( 260) = ( 0.3750000 0.3750000 0.2804980), wk = 0.0028571 k( 261) = ( 0.3660714 0.3660714 0.2804980), wk = 0.0028571 k( 262) = ( 0.3571429 0.3571429 0.2804980), wk = 0.0028571 k( 263) = ( 0.3482143 0.3482143 0.2804980), wk = 0.0028571 k( 264) = ( 0.3392857 0.3392857 0.2804980), wk = 0.0028571 k( 265) = ( 0.3303571 0.3303571 0.2804980), wk = 0.0028571 k( 266) = ( 0.3214286 0.3214286 0.2804980), wk = 0.0028571 k( 267) = ( 0.3125000 0.3125000 0.2804980), wk = 0.0028571 k( 268) = ( 0.3035714 0.3035714 0.2804980), wk = 0.0028571 k( 269) = ( 0.2946429 0.2946429 0.2804980), wk = 0.0028571 k( 270) = ( 0.2857143 0.2857143 0.2804980), wk = 0.0028571 k( 271) = ( 0.2767857 0.2767857 0.2804980), wk = 0.0028571 k( 272) = ( 0.2678571 0.2678571 0.2804980), wk = 0.0028571 k( 273) = ( 0.2589286 0.2589286 0.2804980), wk = 0.0028571 k( 274) = ( 0.2500000 0.2500000 0.2804980), wk = 0.0028571 k( 275) = ( 0.2410714 0.2410714 0.2804980), wk = 0.0028571 k( 276) = ( 0.2321429 0.2321429 0.2804980), wk = 0.0028571 k( 277) = ( 0.2232143 0.2232143 0.2804980), wk = 0.0028571 k( 278) = ( 0.2142857 0.2142857 0.2804980), wk = 0.0028571 k( 279) = ( 0.2053571 0.2053571 0.2804980), wk = 0.0028571 k( 280) = ( 0.1964286 0.1964286 0.2804980), wk = 0.0028571 k( 281) = ( 0.1875000 0.1875000 0.2804980), wk = 0.0028571 k( 282) = ( 0.1785714 0.1785714 0.2804980), wk = 0.0028571 k( 283) = ( 0.1696429 0.1696429 0.2804980), wk = 0.0028571 k( 284) = ( 0.1607143 0.1607143 0.2804980), wk = 0.0028571 k( 285) = ( 0.1517857 0.1517857 0.2804980), wk = 0.0028571 k( 286) = ( 0.1428571 0.1428571 0.2804980), wk = 0.0028571 k( 287) = ( 0.1339286 0.1339286 0.2804980), wk = 0.0028571 k( 288) = ( 0.1250000 0.1250000 0.2804980), wk = 0.0028571 k( 289) = ( 0.1160714 0.1160714 0.2804980), wk = 0.0028571 k( 290) = ( 0.1071429 0.1071429 0.2804980), wk = 0.0028571 k( 291) = ( 0.0982143 0.0982143 0.2804980), wk = 0.0028571 k( 292) = ( 0.0892857 0.0892857 0.2804980), wk = 0.0028571 k( 293) = ( 0.0803571 0.0803571 0.2804980), wk = 0.0028571 k( 294) = ( 0.0714286 0.0714286 0.2804980), wk = 0.0028571 k( 295) = ( 0.0625000 0.0625000 0.2804980), wk = 0.0028571 k( 296) = ( 0.0535714 0.0535714 0.2804980), wk = 0.0028571 k( 297) = ( 0.0446429 0.0446429 0.2804980), wk = 0.0028571 k( 298) = ( 0.0357143 0.0357143 0.2804980), wk = 0.0028571 k( 299) = ( 0.0267857 0.0267857 0.2804980), wk = 0.0028571 k( 300) = ( 0.0178571 0.0178571 0.2804980), wk = 0.0028571 k( 301) = ( 0.0089286 0.0089286 0.2804980), wk = 0.0028571 k( 302) = ( 0.0000000 0.0000000 0.2804980), wk = 0.0028571 k( 303) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 304) = ( 0.0000000 0.5000000 0.0121956), wk = 0.0028571 k( 305) = ( 0.0000000 0.5000000 0.0243911), wk = 0.0028571 k( 306) = ( 0.0000000 0.5000000 0.0365867), wk = 0.0028571 k( 307) = ( 0.0000000 0.5000000 0.0487823), wk = 0.0028571 k( 308) = ( 0.0000000 0.5000000 0.0609778), wk = 0.0028571 k( 309) = ( 0.0000000 0.5000000 0.0731734), wk = 0.0028571 k( 310) = ( 0.0000000 0.5000000 0.0853689), wk = 0.0028571 k( 311) = ( 0.0000000 0.5000000 0.0975645), wk = 0.0028571 k( 312) = ( 0.0000000 0.5000000 0.1097601), wk = 0.0028571 k( 313) = ( 0.0000000 0.5000000 0.1219556), wk = 0.0028571 k( 314) = ( 0.0000000 0.5000000 0.1341512), wk = 0.0028571 k( 315) = ( 0.0000000 0.5000000 0.1463468), wk = 0.0028571 k( 316) = ( 0.0000000 0.5000000 0.1585423), wk = 0.0028571 k( 317) = ( 0.0000000 0.5000000 0.1707379), wk = 0.0028571 k( 318) = ( 0.0000000 0.5000000 0.1829335), wk = 0.0028571 k( 319) = ( 0.0000000 0.5000000 0.1951290), wk = 0.0028571 k( 320) = ( 0.0000000 0.5000000 0.2073246), wk = 0.0028571 k( 321) = ( 0.0000000 0.5000000 0.2195201), wk = 0.0028571 k( 322) = ( 0.0000000 0.5000000 0.2317157), wk = 0.0028571 k( 323) = ( 0.0000000 0.5000000 0.2439113), wk = 0.0028571 k( 324) = ( 0.0000000 0.5000000 0.2561068), wk = 0.0028571 k( 325) = ( 0.0000000 0.5000000 0.2683024), wk = 0.0028571 k( 326) = ( 0.0000000 0.5000000 0.2804980), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 0.0121956), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 0.0243911), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 0.0365867), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 0.0487823), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 0.0609778), wk = 0.0028571 k( 333) = ( 0.5000000 0.5000000 0.0731734), wk = 0.0028571 k( 334) = ( 0.5000000 0.5000000 0.0853689), wk = 0.0028571 k( 335) = ( 0.5000000 0.5000000 0.0975645), wk = 0.0028571 k( 336) = ( 0.5000000 0.5000000 0.1097601), wk = 0.0028571 k( 337) = ( 0.5000000 0.5000000 0.1219556), wk = 0.0028571 k( 338) = ( 0.5000000 0.5000000 0.1341512), wk = 0.0028571 k( 339) = ( 0.5000000 0.5000000 0.1463468), wk = 0.0028571 k( 340) = ( 0.5000000 0.5000000 0.1585423), wk = 0.0028571 k( 341) = ( 0.5000000 0.5000000 0.1707379), wk = 0.0028571 k( 342) = ( 0.5000000 0.5000000 0.1829335), wk = 0.0028571 k( 343) = ( 0.5000000 0.5000000 0.1951290), wk = 0.0028571 k( 344) = ( 0.5000000 0.5000000 0.2073246), wk = 0.0028571 k( 345) = ( 0.5000000 0.5000000 0.2195201), wk = 0.0028571 k( 346) = ( 0.5000000 0.5000000 0.2317157), wk = 0.0028571 k( 347) = ( 0.5000000 0.5000000 0.2439113), wk = 0.0028571 k( 348) = ( 0.5000000 0.5000000 0.2561068), wk = 0.0028571 k( 349) = ( 0.5000000 0.5000000 0.2683024), wk = 0.0028571 k( 350) = ( 0.5000000 0.5000000 0.2804980), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0028571 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028571 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028571 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028571 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0028571 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0028571 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028571 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028571 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028571 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028571 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028571 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028571 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028571 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028571 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0028571 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028571 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028571 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0028571 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028571 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0028571 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028571 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028571 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028571 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028571 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028571 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028571 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028571 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028571 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0028571 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028571 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028571 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028571 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0028571 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028571 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0028571 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028571 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028571 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028571 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0028571 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028571 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028571 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0028571 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028571 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028571 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0028571 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028571 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0028571 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028571 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0028571 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0028571 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028571 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028571 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028571 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028571 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028571 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028571 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0028571 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028571 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028571 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028571 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0028571 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0028571 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0028571 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028571 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0028571 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028571 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028571 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028571 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028571 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0028571 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028571 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0028571 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0028571 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0028571 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028571 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028571 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028571 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0028571 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028571 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0028571 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028571 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0028571 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028571 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0028571 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0028571 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0028571 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028571 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028571 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028571 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028571 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0028571 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0028571 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028571 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0028571 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028571 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028571 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028571 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0028571 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028571 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0028571 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028571 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028571 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028571 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0028571 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0028571 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0028571 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028571 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0028571 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028571 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0028571 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028571 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0028571 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0028571 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0028571 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028571 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0028571 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028571 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028571 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028571 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028571 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 141) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0028571 k( 142) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0028571 k( 145) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0028571 k( 146) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0028571 k( 147) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 165) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0028571 k( 166) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0028571 k( 167) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0028571 k( 168) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0028571 k( 169) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028571 k( 170) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0028571 k( 171) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0028571 k( 172) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0028571 k( 173) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0028571 k( 174) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028571 k( 175) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0028571 k( 176) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0028571 k( 177) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0028571 k( 178) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0028571 k( 179) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028571 k( 180) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0028571 k( 181) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0028571 k( 182) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0028571 k( 183) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0028571 k( 184) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028571 k( 185) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0028571 k( 186) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0028571 k( 187) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0028571 k( 188) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0028571 k( 189) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028571 k( 190) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0028571 k( 191) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0028571 k( 192) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0028571 k( 193) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0028571 k( 194) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028571 k( 195) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0028571 k( 196) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0028571 k( 197) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0028571 k( 198) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0028571 k( 199) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028571 k( 200) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0028571 k( 201) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0028571 k( 202) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0028571 k( 203) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0028571 k( 204) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 206) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0028571 k( 209) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0028571 k( 210) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0028571 k( 211) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0028571 k( 212) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0028571 k( 213) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028571 k( 214) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0028571 k( 215) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028571 k( 216) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0028571 k( 217) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0028571 k( 218) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0028571 k( 219) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0028571 k( 220) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0028571 k( 221) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028571 k( 222) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0028571 k( 223) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0028571 k( 224) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0028571 k( 225) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028571 k( 226) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0028571 k( 227) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0028571 k( 228) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0028571 k( 229) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028571 k( 230) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0028571 k( 231) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0028571 k( 232) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0028571 k( 233) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0028571 k( 234) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0028571 k( 235) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028571 k( 236) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0028571 k( 237) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028571 k( 238) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0028571 k( 239) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0028571 k( 240) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0028571 k( 241) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0028571 k( 242) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0028571 k( 243) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0028571 k( 244) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0028571 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 247) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0028571 k( 248) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0028571 k( 249) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0028571 k( 250) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0028571 k( 251) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0028571 k( 252) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0028571 k( 253) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0028571 k( 254) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0028571 k( 255) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0028571 k( 256) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0028571 k( 257) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0028571 k( 258) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0028571 k( 259) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0028571 k( 260) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0028571 k( 261) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0028571 k( 262) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0028571 k( 263) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0028571 k( 264) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0028571 k( 265) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0028571 k( 266) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028571 k( 267) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0028571 k( 268) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028571 k( 269) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0028571 k( 270) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028571 k( 271) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0028571 k( 272) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028571 k( 273) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0028571 k( 274) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028571 k( 275) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0028571 k( 276) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028571 k( 277) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0028571 k( 278) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028571 k( 279) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0028571 k( 280) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028571 k( 281) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0028571 k( 282) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028571 k( 283) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0028571 k( 284) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028571 k( 285) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0028571 k( 286) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028571 k( 287) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0028571 k( 288) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028571 k( 289) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0028571 k( 290) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028571 k( 291) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0028571 k( 292) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028571 k( 293) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0028571 k( 294) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028571 k( 295) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0028571 k( 296) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028571 k( 297) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0028571 k( 298) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028571 k( 299) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0028571 k( 300) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028571 k( 301) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0028571 k( 302) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 303) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 304) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0028571 k( 305) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0028571 k( 306) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0028571 k( 307) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0028571 k( 308) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0028571 k( 309) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0028571 k( 310) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0028571 k( 311) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0028571 k( 312) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0028571 k( 313) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0028571 k( 314) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0028571 k( 315) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0028571 k( 316) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0028571 k( 317) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0028571 k( 318) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0028571 k( 319) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0028571 k( 320) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0028571 k( 321) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0028571 k( 322) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0028571 k( 323) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0028571 k( 324) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0028571 k( 325) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0028571 k( 326) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0028571 k( 333) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028571 k( 334) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028571 k( 335) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028571 k( 336) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028571 k( 337) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028571 k( 338) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028571 k( 339) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028571 k( 340) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028571 k( 341) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028571 k( 342) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028571 k( 343) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028571 k( 344) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028571 k( 345) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0028571 k( 346) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028571 k( 347) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028571 k( 348) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028571 k( 349) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028571 k( 350) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 Dense grid: 73181 G-vectors FFT dimensions: ( 45, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.61 Mb ( 542, 74) NL pseudopotentials 0.84 Mb ( 271, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2034) G-vector shells 0.01 Mb ( 980) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.45 Mb ( 542, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.46 Mb ( 204, 2, 74) The potential is recalculated from file : ./CaCoSi.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 11.0 secs Computing kpt #: 5 total cpu time spent up to now is 13.1 secs Computing kpt #: 6 total cpu time spent up to now is 15.3 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.7 secs Computing kpt #: 8 total cpu time spent up to now is 22.0 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.2 secs Computing kpt #: 10 total cpu time spent up to now is 29.8 secs Computing kpt #: 11 total cpu time spent up to now is 31.8 secs Computing kpt #: 12 total cpu time spent up to now is 33.8 secs Computing kpt #: 13 total cpu time spent up to now is 35.8 secs Computing kpt #: 14 total cpu time spent up to now is 37.8 secs Computing kpt #: 15 total cpu time spent up to now is 39.6 secs Computing kpt #: 16 total cpu time spent up to now is 41.6 secs Computing kpt #: 17 total cpu time spent up to now is 43.5 secs Computing kpt #: 18 total cpu time spent up to now is 45.3 secs Computing kpt #: 19 total cpu time spent up to now is 47.1 secs Computing kpt #: 20 total cpu time spent up to now is 48.9 secs Computing kpt #: 21 total cpu time spent up to now is 50.7 secs Computing kpt #: 22 total cpu time spent up to now is 52.5 secs Computing kpt #: 23 total cpu time spent up to now is 54.3 secs Computing kpt #: 24 total cpu time spent up to now is 56.0 secs Computing kpt #: 25 total cpu time spent up to now is 57.8 secs Computing kpt #: 26 total cpu time spent up to now is 59.6 secs Computing kpt #: 27 total cpu time spent up to now is 61.4 secs Computing kpt #: 28 total cpu time spent up to now is 63.3 secs Computing kpt #: 29 total cpu time spent up to now is 65.0 secs Computing kpt #: 30 total cpu time spent up to now is 66.8 secs Computing kpt #: 31 total cpu time spent up to now is 68.6 secs Computing kpt #: 32 total cpu time spent up to now is 70.4 secs Computing kpt #: 33 total cpu time spent up to now is 72.1 secs Computing kpt #: 34 total cpu time spent up to now is 73.7 secs Computing kpt #: 35 total cpu time spent up to now is 75.4 secs Computing kpt #: 36 total cpu time spent up to now is 77.1 secs Computing kpt #: 37 total cpu time spent up to now is 78.8 secs Computing kpt #: 38 total cpu time spent up to now is 80.6 secs Computing kpt #: 39 total cpu time spent up to now is 82.5 secs Computing kpt #: 40 total cpu time spent up to now is 84.5 secs Computing kpt #: 41 total cpu time spent up to now is 86.2 secs Computing kpt #: 42 total cpu time spent up to now is 87.9 secs Computing kpt #: 43 total cpu time spent up to now is 90.0 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.3 secs Computing kpt #: 45 total cpu time spent up to now is 95.3 secs Computing kpt #: 46 total cpu time spent up to now is 97.7 secs Computing kpt #: 47 total cpu time spent up to now is 99.7 secs Computing kpt #: 48 total cpu time spent up to now is 101.6 secs Computing kpt #: 49 total cpu time spent up to now is 104.1 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.4 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.8 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.1 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.4 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.7 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.0 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.3 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.7 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.8 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.2 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.4 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.7 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.0 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.3 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.5 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.8 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.0 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.2 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.5 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.7 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.9 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.1 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.5 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.6 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.9 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.0 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.3 secs Computing kpt #: 79 total cpu time spent up to now is 200.9 secs Computing kpt #: 80 total cpu time spent up to now is 202.4 secs Computing kpt #: 81 total cpu time spent up to now is 203.9 secs Computing kpt #: 82 total cpu time spent up to now is 205.4 secs Computing kpt #: 83 total cpu time spent up to now is 206.9 secs Computing kpt #: 84 total cpu time spent up to now is 208.4 secs Computing kpt #: 85 total cpu time spent up to now is 210.2 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.5 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.7 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.0 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.3 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.5 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.7 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.9 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.3 secs Computing kpt #: 95 total cpu time spent up to now is 242.1 secs Computing kpt #: 96 total cpu time spent up to now is 245.0 secs Computing kpt #: 97 total cpu time spent up to now is 247.8 secs Computing kpt #: 98 total cpu time spent up to now is 250.5 secs Computing kpt #: 99 total cpu time spent up to now is 253.1 secs Computing kpt #: 100 total cpu time spent up to now is 255.6 secs Computing kpt #: 101 total cpu time spent up to now is 257.8 secs Computing kpt #: 102 total cpu time spent up to now is 259.8 secs Computing kpt #: 103 total cpu time spent up to now is 262.1 secs Computing kpt #: 104 total cpu time spent up to now is 264.0 secs Computing kpt #: 105 total cpu time spent up to now is 265.8 secs Computing kpt #: 106 total cpu time spent up to now is 267.8 secs Computing kpt #: 107 total cpu time spent up to now is 269.7 secs Computing kpt #: 108 total cpu time spent up to now is 271.5 secs Computing kpt #: 109 total cpu time spent up to now is 273.3 secs Computing kpt #: 110 total cpu time spent up to now is 275.2 secs Computing kpt #: 111 total cpu time spent up to now is 277.1 secs Computing kpt #: 112 total cpu time spent up to now is 278.9 secs Computing kpt #: 113 total cpu time spent up to now is 280.6 secs Computing kpt #: 114 total cpu time spent up to now is 282.4 secs Computing kpt #: 115 total cpu time spent up to now is 284.2 secs Computing kpt #: 116 total cpu time spent up to now is 285.8 secs Computing kpt #: 117 total cpu time spent up to now is 287.5 secs Computing kpt #: 118 total cpu time spent up to now is 289.2 secs Computing kpt #: 119 total cpu time spent up to now is 290.8 secs Computing kpt #: 120 total cpu time spent up to now is 292.6 secs Computing kpt #: 121 total cpu time spent up to now is 294.3 secs Computing kpt #: 122 total cpu time spent up to now is 296.1 secs Computing kpt #: 123 total cpu time spent up to now is 297.6 secs Computing kpt #: 124 total cpu time spent up to now is 299.2 secs Computing kpt #: 125 total cpu time spent up to now is 300.8 secs Computing kpt #: 126 total cpu time spent up to now is 302.6 secs Computing kpt #: 127 total cpu time spent up to now is 304.5 secs Computing kpt #: 128 total cpu time spent up to now is 306.4 secs Computing kpt #: 129 total cpu time spent up to now is 308.3 secs Computing kpt #: 130 total cpu time spent up to now is 310.3 secs Computing kpt #: 131 total cpu time spent up to now is 312.6 secs Computing kpt #: 132 total cpu time spent up to now is 314.7 secs Computing kpt #: 133 total cpu time spent up to now is 317.2 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.6 secs Computing kpt #: 135 total cpu time spent up to now is 322.5 secs Computing kpt #: 136 total cpu time spent up to now is 324.6 secs Computing kpt #: 137 total cpu time spent up to now is 326.5 secs Computing kpt #: 138 total cpu time spent up to now is 328.3 secs Computing kpt #: 139 total cpu time spent up to now is 329.6 secs Computing kpt #: 140 total cpu time spent up to now is 331.2 secs Computing kpt #: 141 total cpu time spent up to now is 333.0 secs Computing kpt #: 142 total cpu time spent up to now is 334.8 secs Computing kpt #: 143 total cpu time spent up to now is 336.5 secs Computing kpt #: 144 total cpu time spent up to now is 338.4 secs Computing kpt #: 145 total cpu time spent up to now is 340.2 secs Computing kpt #: 146 total cpu time spent up to now is 342.1 secs Computing kpt #: 147 total cpu time spent up to now is 344.0 secs Computing kpt #: 148 total cpu time spent up to now is 345.9 secs Computing kpt #: 149 total cpu time spent up to now is 347.7 secs Computing kpt #: 150 total cpu time spent up to now is 349.5 secs Computing kpt #: 151 total cpu time spent up to now is 351.3 secs Computing kpt #: 152 total cpu time spent up to now is 353.0 secs Computing kpt #: 153 total cpu time spent up to now is 354.8 secs Computing kpt #: 154 total cpu time spent up to now is 356.8 secs Computing kpt #: 155 total cpu time spent up to now is 358.7 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.1 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.5 secs Computing kpt #: 158 total cpu time spent up to now is 368.8 secs Computing kpt #: 159 total cpu time spent up to now is 371.4 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.7 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.1 secs Computing kpt #: 162 total cpu time spent up to now is 380.9 secs Computing kpt #: 163 total cpu time spent up to now is 383.6 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 165 total cpu time spent up to now is 389.8 secs Computing kpt #: 166 total cpu time spent up to now is 393.0 secs Computing kpt #: 167 total cpu time spent up to now is 396.3 secs Computing kpt #: 168 total cpu time spent up to now is 399.1 secs Computing kpt #: 169 total cpu time spent up to now is 401.4 secs Computing kpt #: 170 total cpu time spent up to now is 403.8 secs Computing kpt #: 171 total cpu time spent up to now is 405.7 secs Computing kpt #: 172 total cpu time spent up to now is 407.6 secs Computing kpt #: 173 total cpu time spent up to now is 409.6 secs Computing kpt #: 174 total cpu time spent up to now is 411.5 secs Computing kpt #: 175 total cpu time spent up to now is 413.4 secs Computing kpt #: 176 total cpu time spent up to now is 415.1 secs Computing kpt #: 177 total cpu time spent up to now is 416.8 secs Computing kpt #: 178 total cpu time spent up to now is 418.6 secs Computing kpt #: 179 total cpu time spent up to now is 420.2 secs Computing kpt #: 180 total cpu time spent up to now is 421.9 secs Computing kpt #: 181 total cpu time spent up to now is 423.6 secs Computing kpt #: 182 total cpu time spent up to now is 425.0 secs Computing kpt #: 183 total cpu time spent up to now is 426.4 secs Computing kpt #: 184 total cpu time spent up to now is 427.9 secs Computing kpt #: 185 total cpu time spent up to now is 429.5 secs Computing kpt #: 186 total cpu time spent up to now is 431.4 secs Computing kpt #: 187 total cpu time spent up to now is 433.6 secs Computing kpt #: 188 total cpu time spent up to now is 435.6 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.9 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.5 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.7 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.0 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 455.3 secs Computing kpt #: 195 total cpu time spent up to now is 458.1 secs Computing kpt #: 196 total cpu time spent up to now is 460.9 secs Computing kpt #: 197 total cpu time spent up to now is 463.7 secs Computing kpt #: 198 total cpu time spent up to now is 466.6 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.8 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.0 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 476.3 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 479.6 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 482.9 secs Computing kpt #: 204 total cpu time spent up to now is 485.2 secs Computing kpt #: 205 total cpu time spent up to now is 488.0 secs Computing kpt #: 206 total cpu time spent up to now is 490.6 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 493.9 secs Computing kpt #: 208 total cpu time spent up to now is 497.0 secs Computing kpt #: 209 total cpu time spent up to now is 499.0 secs Computing kpt #: 210 total cpu time spent up to now is 501.2 secs Computing kpt #: 211 total cpu time spent up to now is 503.4 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.6 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 509.9 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.2 secs Computing kpt #: 215 total cpu time spent up to now is 514.9 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.0 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.2 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.4 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.7 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 530.8 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.9 secs Computing kpt #: 222 total cpu time spent up to now is 536.5 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.6 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 542.7 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.8 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.1 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.4 secs Computing kpt #: 229 total cpu time spent up to now is 557.1 secs Computing kpt #: 230 total cpu time spent up to now is 558.8 secs Computing kpt #: 231 total cpu time spent up to now is 560.6 secs Computing kpt #: 232 total cpu time spent up to now is 562.3 secs Computing kpt #: 233 total cpu time spent up to now is 564.0 secs Computing kpt #: 234 total cpu time spent up to now is 565.8 secs Computing kpt #: 235 total cpu time spent up to now is 567.5 secs Computing kpt #: 236 total cpu time spent up to now is 569.2 secs Computing kpt #: 237 total cpu time spent up to now is 571.0 secs Computing kpt #: 238 total cpu time spent up to now is 572.9 secs Computing kpt #: 239 total cpu time spent up to now is 575.0 secs Computing kpt #: 240 total cpu time spent up to now is 577.3 secs Computing kpt #: 241 total cpu time spent up to now is 579.7 secs Computing kpt #: 242 total cpu time spent up to now is 581.9 secs Computing kpt #: 243 total cpu time spent up to now is 584.5 secs Computing kpt #: 244 total cpu time spent up to now is 586.8 secs Computing kpt #: 245 total cpu time spent up to now is 589.3 secs Computing kpt #: 246 total cpu time spent up to now is 591.7 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 594.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.1 secs Computing kpt #: 249 total cpu time spent up to now is 600.8 secs Computing kpt #: 250 total cpu time spent up to now is 603.1 secs Computing kpt #: 251 total cpu time spent up to now is 605.2 secs Computing kpt #: 252 total cpu time spent up to now is 607.2 secs Computing kpt #: 253 total cpu time spent up to now is 609.0 secs Computing kpt #: 254 total cpu time spent up to now is 610.7 secs Computing kpt #: 255 total cpu time spent up to now is 612.5 secs Computing kpt #: 256 total cpu time spent up to now is 614.2 secs Computing kpt #: 257 total cpu time spent up to now is 615.9 secs Computing kpt #: 258 total cpu time spent up to now is 617.6 secs Computing kpt #: 259 total cpu time spent up to now is 619.3 secs Computing kpt #: 260 total cpu time spent up to now is 621.1 secs Computing kpt #: 261 total cpu time spent up to now is 622.8 secs Computing kpt #: 262 total cpu time spent up to now is 624.5 secs Computing kpt #: 263 total cpu time spent up to now is 626.2 secs Computing kpt #: 264 total cpu time spent up to now is 628.0 secs Computing kpt #: 265 total cpu time spent up to now is 629.7 secs Computing kpt #: 266 total cpu time spent up to now is 631.5 secs Computing kpt #: 267 total cpu time spent up to now is 633.4 secs Computing kpt #: 268 total cpu time spent up to now is 635.6 secs Computing kpt #: 269 total cpu time spent up to now is 637.9 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 641.1 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.4 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.7 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.0 secs Computing kpt #: 274 total cpu time spent up to now is 653.7 secs Computing kpt #: 275 total cpu time spent up to now is 656.8 secs Computing kpt #: 276 total cpu time spent up to now is 659.1 secs Computing kpt #: 277 total cpu time spent up to now is 661.1 secs Computing kpt #: 278 total cpu time spent up to now is 663.5 secs Computing kpt #: 279 total cpu time spent up to now is 665.4 secs Computing kpt #: 280 total cpu time spent up to now is 667.6 secs Computing kpt #: 281 total cpu time spent up to now is 669.5 secs Computing kpt #: 282 total cpu time spent up to now is 671.1 secs Computing kpt #: 283 total cpu time spent up to now is 672.7 secs Computing kpt #: 284 total cpu time spent up to now is 674.3 secs Computing kpt #: 285 total cpu time spent up to now is 675.9 secs Computing kpt #: 286 total cpu time spent up to now is 677.5 secs Computing kpt #: 287 total cpu time spent up to now is 679.2 secs Computing kpt #: 288 total cpu time spent up to now is 680.9 secs Computing kpt #: 289 total cpu time spent up to now is 682.6 secs Computing kpt #: 290 total cpu time spent up to now is 684.5 secs Computing kpt #: 291 total cpu time spent up to now is 686.4 secs Computing kpt #: 292 total cpu time spent up to now is 688.4 secs Computing kpt #: 293 total cpu time spent up to now is 690.3 secs Computing kpt #: 294 total cpu time spent up to now is 692.3 secs Computing kpt #: 295 total cpu time spent up to now is 694.3 secs Computing kpt #: 296 total cpu time spent up to now is 696.2 secs Computing kpt #: 297 total cpu time spent up to now is 698.5 secs Computing kpt #: 298 total cpu time spent up to now is 700.9 secs Computing kpt #: 299 total cpu time spent up to now is 704.0 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 707.3 secs Computing kpt #: 301 total cpu time spent up to now is 710.7 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 714.1 secs Computing kpt #: 303 total cpu time spent up to now is 715.7 secs Computing kpt #: 304 total cpu time spent up to now is 717.4 secs Computing kpt #: 305 total cpu time spent up to now is 719.1 secs Computing kpt #: 306 total cpu time spent up to now is 720.7 secs Computing kpt #: 307 total cpu time spent up to now is 722.3 secs Computing kpt #: 308 total cpu time spent up to now is 724.1 secs Computing kpt #: 309 total cpu time spent up to now is 726.1 secs Computing kpt #: 310 total cpu time spent up to now is 727.9 secs Computing kpt #: 311 total cpu time spent up to now is 729.7 secs Computing kpt #: 312 total cpu time spent up to now is 731.3 secs Computing kpt #: 313 total cpu time spent up to now is 733.1 secs Computing kpt #: 314 total cpu time spent up to now is 735.0 secs Computing kpt #: 315 total cpu time spent up to now is 736.8 secs Computing kpt #: 316 total cpu time spent up to now is 738.6 secs Computing kpt #: 317 total cpu time spent up to now is 740.3 secs Computing kpt #: 318 total cpu time spent up to now is 742.1 secs Computing kpt #: 319 total cpu time spent up to now is 744.0 secs Computing kpt #: 320 total cpu time spent up to now is 746.2 secs Computing kpt #: 321 total cpu time spent up to now is 748.4 secs Computing kpt #: 322 total cpu time spent up to now is 750.5 secs Computing kpt #: 323 total cpu time spent up to now is 752.7 secs Computing kpt #: 324 total cpu time spent up to now is 755.0 secs Computing kpt #: 325 total cpu time spent up to now is 757.4 secs Computing kpt #: 326 total cpu time spent up to now is 759.7 secs Computing kpt #: 327 total cpu time spent up to now is 761.2 secs Computing kpt #: 328 total cpu time spent up to now is 762.7 secs Computing kpt #: 329 total cpu time spent up to now is 764.2 secs Computing kpt #: 330 total cpu time spent up to now is 765.7 secs Computing kpt #: 331 total cpu time spent up to now is 767.2 secs Computing kpt #: 332 total cpu time spent up to now is 768.7 secs Computing kpt #: 333 total cpu time spent up to now is 770.2 secs Computing kpt #: 334 total cpu time spent up to now is 771.7 secs Computing kpt #: 335 total cpu time spent up to now is 773.3 secs Computing kpt #: 336 total cpu time spent up to now is 775.0 secs Computing kpt #: 337 total cpu time spent up to now is 776.7 secs Computing kpt #: 338 total cpu time spent up to now is 778.4 secs Computing kpt #: 339 total cpu time spent up to now is 780.1 secs Computing kpt #: 340 total cpu time spent up to now is 781.8 secs Computing kpt #: 341 total cpu time spent up to now is 783.5 secs Computing kpt #: 342 total cpu time spent up to now is 785.4 secs Computing kpt #: 343 total cpu time spent up to now is 787.4 secs Computing kpt #: 344 total cpu time spent up to now is 789.5 secs Computing kpt #: 345 total cpu time spent up to now is 791.6 secs Computing kpt #: 346 total cpu time spent up to now is 794.2 secs Computing kpt #: 347 total cpu time spent up to now is 796.7 secs Computing kpt #: 348 total cpu time spent up to now is 799.4 secs Computing kpt #: 349 total cpu time spent up to now is 801.9 secs Computing kpt #: 350 total cpu time spent up to now is 804.4 secs ethr = 1.61E-08, avg # of iterations = 68.8 total cpu time spent up to now is 804.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9123 PWs) bands (ev): -81.6920 -81.6920 -81.6817 -81.6817 -47.3900 -47.3900 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5672 -45.5672 -45.5605 -45.5605 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8612 -11.8612 -11.5670 -11.5670 -11.5345 -11.5345 -11.4852 -11.4852 -11.4831 -11.4831 0.3525 0.3525 2.5005 2.5005 5.7252 5.7252 6.4585 6.4585 7.1353 7.1353 7.1698 7.1698 7.3853 7.3853 8.2372 8.2372 8.2600 8.2600 8.5247 8.5247 8.9733 8.9733 9.3294 9.3294 9.7446 9.7446 9.7654 9.7654 9.8940 9.8940 11.1219 11.1219 11.4202 11.4202 11.7423 11.7423 12.4441 12.4441 13.2960 13.2960 13.3029 13.3029 k = 0.0000 0.0125-0.0000 ( 9131 PWs) bands (ev): -81.6921 -81.6921 -81.6819 -81.6819 -47.3900 -47.3900 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5673 -45.5673 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8612 -11.8612 -11.5670 -11.5670 -11.5345 -11.5345 -11.4852 -11.4852 -11.4831 -11.4831 0.3538 0.3538 2.5009 2.5009 5.7265 5.7265 6.4592 6.4592 7.1344 7.1344 7.1689 7.1689 7.3863 7.3863 8.2330 8.2330 8.2560 8.2560 8.5288 8.5288 8.9733 8.9733 9.3286 9.3286 9.7360 9.7360 9.7574 9.7574 9.9075 9.9075 11.1224 11.1224 11.4219 11.4219 11.7384 11.7384 12.4417 12.4417 13.2892 13.2892 13.3039 13.3039 k = 0.0000 0.0250-0.0000 ( 9127 PWs) bands (ev): -81.6922 -81.6922 -81.6817 -81.6817 -47.3899 -47.3899 -47.3603 -47.3603 -45.7277 -45.7277 -45.6761 -45.6761 -45.5672 -45.5672 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8614 -11.8614 -11.5670 -11.5670 -11.5347 -11.5347 -11.4853 -11.4853 -11.4833 -11.4833 0.3578 0.3578 2.5024 2.5024 5.7307 5.7307 6.4615 6.4615 7.1326 7.1326 7.1670 7.1670 7.3895 7.3895 8.2182 8.2182 8.2479 8.2479 8.5399 8.5399 8.9737 8.9737 9.3262 9.3262 9.7108 9.7108 9.7427 9.7427 9.9404 9.9404 11.1241 11.1241 11.4269 11.4269 11.7267 11.7267 12.4352 12.4352 13.2638 13.2638 13.3147 13.3147 k = 0.0000 0.0375-0.0000 ( 9119 PWs) bands (ev): -81.6921 -81.6921 -81.6816 -81.6816 -47.3898 -47.3898 -47.3603 -47.3603 -45.7276 -45.7276 -45.6761 -45.6761 -45.5672 -45.5672 -45.5606 -45.5606 -30.6106 -30.6106 -30.5931 -30.5931 -11.9264 -11.9264 -11.8617 -11.8617 -11.5669 -11.5669 -11.5351 -11.5351 -11.4854 -11.4854 -11.4836 -11.4836 0.3646 0.3646 2.5047 2.5047 5.7378 5.7378 6.4651 6.4651 7.1297 7.1297 7.1643 7.1643 7.3951 7.3951 8.1915 8.1915 8.2397 8.2397 8.5552 8.5552 8.9747 8.9747 9.3225 9.3225 9.6773 9.6773 9.7240 9.7240 9.9802 9.9802 11.1267 11.1267 11.4348 11.4348 11.7068 11.7068 12.4261 12.4261 13.2248 13.2248 13.3327 13.3327 k = 0.0000 0.0500-0.0000 ( 9125 PWs) bands (ev): -81.6922 -81.6922 -81.6816 -81.6816 -47.3898 -47.3898 -47.3604 -47.3604 -45.7275 -45.7275 -45.6763 -45.6763 -45.5672 -45.5672 -45.5607 -45.5607 -30.6105 -30.6105 -30.5931 -30.5931 -11.9265 -11.9265 -11.8622 -11.8622 -11.5669 -11.5669 -11.5355 -11.5355 -11.4857 -11.4857 -11.4839 -11.4839 0.3739 0.3739 2.5080 2.5080 5.7477 5.7477 6.4701 6.4701 7.1252 7.1252 7.1605 7.1605 7.4023 7.4023 8.1554 8.1554 8.2305 8.2305 8.5729 8.5729 8.9758 8.9758 9.3161 9.3161 9.6408 9.6408 9.6995 9.6995 10.0238 10.0238 11.1299 11.1299 11.4454 11.4454 11.6783 11.6783 12.4164 12.4164 13.1760 13.1760 13.3557 13.3557 k = 0.0000 0.0625-0.0000 ( 9129 PWs) bands (ev): -81.6921 -81.6921 -81.6817 -81.6817 -47.3897 -47.3897 -47.3605 -47.3605 -45.7273 -45.7273 -45.6765 -45.6765 -45.5672 -45.5672 -45.5607 -45.5607 -30.6104 -30.6104 -30.5931 -30.5931 -11.9266 -11.9266 -11.8628 -11.8628 -11.5668 -11.5668 -11.5361 -11.5361 -11.4862 -11.4862 -11.4840 -11.4840 0.3860 0.3860 2.5121 2.5121 5.7605 5.7605 6.4764 6.4764 7.1190 7.1190 7.1558 7.1558 7.4111 7.4111 8.1128 8.1128 8.2197 8.2197 8.5915 8.5915 8.9774 8.9774 9.3092 9.3092 9.6035 9.6035 9.6704 9.6704 10.0696 10.0696 11.1333 11.1333 11.4584 11.4584 11.6409 11.6409 12.4083 12.4083 13.1207 13.1207 13.3824 13.3824 k = 0.0000 0.0750-0.0000 ( 9109 PWs) bands (ev): -81.6918 -81.6918 -81.6816 -81.6816 -47.3895 -47.3895 -47.3606 -47.3606 -45.7271 -45.7271 -45.6767 -45.6767 -45.5671 -45.5671 -45.5607 -45.5607 -30.6102 -30.6102 -30.5931 -30.5931 -11.9266 -11.9266 -11.8635 -11.8635 -11.5667 -11.5667 -11.5367 -11.5367 -11.4870 -11.4870 -11.4840 -11.4840 0.4007 0.4007 2.5170 2.5170 5.7761 5.7761 6.4841 6.4841 7.1112 7.1112 7.1514 7.1514 7.4223 7.4223 8.0654 8.0654 8.2072 8.2072 8.6104 8.6104 8.9794 8.9794 9.3008 9.3008 9.5668 9.5668 9.6380 9.6380 10.1179 10.1179 11.1364 11.1364 11.4737 11.4737 11.5947 11.5947 12.4034 12.4034 13.0617 13.0617 13.3642 13.3643 k = 0.0000 0.0875-0.0000 ( 9117 PWs) bands (ev): -81.6919 -81.6919 -81.6817 -81.6817 -47.3894 -47.3894 -47.3608 -47.3608 -45.7268 -45.7268 -45.6770 -45.6770 -45.5671 -45.5671 -45.5607 -45.5607 -30.6101 -30.6101 -30.5931 -30.5931 -11.9267 -11.9267 -11.8643 -11.8643 -11.5666 -11.5666 -11.5375 -11.5375 -11.4881 -11.4881 -11.4840 -11.4840 0.4181 0.4181 2.5226 2.5226 5.7944 5.7944 6.4928 6.4928 7.1014 7.1014 7.1469 7.1469 7.4340 7.4340 8.0132 8.0132 8.1925 8.1925 8.6277 8.6277 8.9814 8.9814 9.2903 9.2903 9.5296 9.5296 9.6014 9.6014 10.1665 10.1665 11.1383 11.1383 11.4903 11.4903 11.5406 11.5406 12.4029 12.4029 13.0001 13.0001 13.3224 13.3224 k = 0.0000 0.1000-0.0000 ( 9127 PWs) bands (ev): -81.6919 -81.6919 -81.6820 -81.6820 -47.3893 -47.3893 -47.3609 -47.3609 -45.7266 -45.7266 -45.6773 -45.6773 -45.5672 -45.5672 -45.5607 -45.5607 -30.6099 -30.6099 -30.5931 -30.5931 -11.9268 -11.9268 -11.8653 -11.8653 -11.5665 -11.5665 -11.5383 -11.5383 -11.4893 -11.4893 -11.4839 -11.4839 0.4380 0.4380 2.5289 2.5289 5.8154 5.8154 6.5022 6.5022 7.0894 7.0894 7.1427 7.1427 7.4474 7.4474 7.9575 7.9575 8.1763 8.1763 8.6438 8.6438 8.9836 8.9836 9.2780 9.2780 9.4930 9.4930 9.5627 9.5627 10.2158 10.2158 11.1384 11.1384 11.4752 11.4752 11.5123 11.5123 12.4072 12.4072 12.9371 12.9371 13.2792 13.2792 k = 0.0000 0.1125-0.0000 ( 9115 PWs) bands (ev): -81.6918 -81.6918 -81.6817 -81.6817 -47.3890 -47.3890 -47.3611 -47.3611 -45.7261 -45.7261 -45.6776 -45.6776 -45.5671 -45.5671 -45.5608 -45.5608 -30.6096 -30.6096 -30.5931 -30.5931 -11.9270 -11.9270 -11.8663 -11.8663 -11.5665 -11.5665 -11.5391 -11.5391 -11.4906 -11.4906 -11.4838 -11.4838 0.4605 0.4605 2.5358 2.5358 5.8392 5.8392 6.5130 6.5130 7.0760 7.0760 7.1392 7.1392 7.4623 7.4623 7.8988 7.8988 8.1582 8.1582 8.6592 8.6592 8.9862 8.9862 9.2645 9.2645 9.4571 9.4571 9.5227 9.5227 10.2665 10.2665 11.1357 11.1357 11.4075 11.4075 11.5329 11.5329 12.4167 12.4167 12.8735 12.8735 13.2355 13.2355 k = 0.0000 0.1250-0.0000 ( 9127 PWs) bands (ev): -81.6917 -81.6917 -81.6821 -81.6821 -47.3888 -47.3888 -47.3613 -47.3613 -45.7259 -45.7259 -45.6780 -45.6780 -45.5671 -45.5671 -45.5608 -45.5608 -30.6094 -30.6094 -30.5932 -30.5932 -11.9271 -11.9271 -11.8675 -11.8675 -11.5664 -11.5664 -11.5399 -11.5399 -11.4921 -11.4921 -11.4837 -11.4837 0.4856 0.4856 2.5431 2.5431 5.8656 5.8656 6.5236 6.5236 7.0597 7.0597 7.1360 7.1360 7.4783 7.4783 7.8378 7.8378 8.1385 8.1385 8.6727 8.6727 8.9890 8.9890 9.2495 9.2495 9.4212 9.4212 9.4821 9.4821 10.3170 10.3170 11.1293 11.1293 11.3329 11.3329 11.5568 11.5568 12.4308 12.4308 12.8097 12.8097 13.1920 13.1920 k = 0.0000 0.1375-0.0000 ( 9123 PWs) bands (ev): -81.6916 -81.6916 -81.6821 -81.6821 -47.3886 -47.3886 -47.3616 -47.3616 -45.7254 -45.7254 -45.6784 -45.6784 -45.5671 -45.5671 -45.5609 -45.5609 -30.6091 -30.6091 -30.5932 -30.5932 -11.9273 -11.9273 -11.8688 -11.8688 -11.5665 -11.5665 -11.5407 -11.5407 -11.4937 -11.4937 -11.4836 -11.4836 0.5132 0.5132 2.5507 2.5507 5.8947 5.8947 6.5348 6.5348 7.0422 7.0422 7.1334 7.1334 7.4953 7.4953 7.7753 7.7753 8.1173 8.1173 8.6847 8.6847 8.9919 8.9919 9.2336 9.2336 9.3860 9.3860 9.4417 9.4417 10.3682 10.3682 11.1183 11.1183 11.2542 11.2542 11.5834 11.5834 12.4494 12.4494 12.7460 12.7460 13.1494 13.1494 k = 0.0000 0.1500-0.0000 ( 9133 PWs) bands (ev): -81.6916 -81.6916 -81.6824 -81.6824 -47.3884 -47.3884 -47.3618 -47.3618 -45.7250 -45.7250 -45.6789 -45.6789 -45.5670 -45.5670 -45.5610 -45.5610 -30.6089 -30.6089 -30.5932 -30.5932 -11.9274 -11.9274 -11.8702 -11.8702 -11.5666 -11.5666 -11.5416 -11.5416 -11.4953 -11.4953 -11.4836 -11.4836 0.5433 0.5433 2.5586 2.5586 5.9263 5.9263 6.5457 6.5457 7.0229 7.0229 7.1313 7.1313 7.5128 7.5128 7.7121 7.7121 8.0947 8.0947 8.6952 8.6952 8.9945 8.9945 9.2151 9.2151 9.3506 9.3506 9.4020 9.4020 10.4191 10.4191 11.1021 11.1021 11.1722 11.1722 11.6131 11.6131 12.4719 12.4719 12.6829 12.6829 13.1080 13.1080 k = 0.0000 0.1625-0.0000 ( 9145 PWs) bands (ev): -81.6915 -81.6915 -81.6827 -81.6827 -47.3882 -47.3882 -47.3621 -47.3621 -45.7246 -45.7246 -45.6794 -45.6794 -45.5670 -45.5670 -45.5610 -45.5610 -30.6086 -30.6086 -30.5932 -30.5932 -11.9276 -11.9276 -11.8717 -11.8717 -11.5667 -11.5667 -11.5423 -11.5423 -11.4971 -11.4971 -11.4835 -11.4835 0.5758 0.5758 2.5664 2.5664 5.9604 5.9604 6.5557 6.5557 7.0017 7.0017 7.1298 7.1298 7.5305 7.5305 7.6498 7.6498 8.0708 8.0708 8.7039 8.7039 8.9972 8.9972 9.1956 9.1956 9.3155 9.3155 9.3633 9.3633 10.4700 10.4700 11.0794 11.0794 11.0884 11.0884 11.6460 11.6460 12.4979 12.4979 12.6206 12.6206 13.0685 13.0685 k = 0.0000 0.1750-0.0000 ( 9147 PWs) bands (ev): -81.6914 -81.6914 -81.6829 -81.6829 -47.3879 -47.3879 -47.3624 -47.3624 -45.7241 -45.7241 -45.6799 -45.6799 -45.5670 -45.5670 -45.5611 -45.5611 -30.6082 -30.6082 -30.5932 -30.5932 -11.9278 -11.9278 -11.8733 -11.8733 -11.5670 -11.5670 -11.5430 -11.5430 -11.4988 -11.4988 -11.4835 -11.4835 0.6107 0.6107 2.5742 2.5742 5.9969 5.9969 6.5646 6.5646 6.9792 6.9792 7.1289 7.1289 7.5440 7.5440 7.5939 7.5939 8.0460 8.0460 8.7115 8.7115 8.9996 8.9996 9.1747 9.1747 9.2811 9.2811 9.3265 9.3265 10.5212 10.5212 11.0016 11.0016 11.0525 11.0525 11.6822 11.6822 12.5268 12.5268 12.5593 12.5593 13.0310 13.0310 k = 0.0000 0.1875-0.0000 ( 9149 PWs) bands (ev): -81.6913 -81.6913 -81.6830 -81.6830 -47.3876 -47.3876 -47.3628 -47.3628 -45.7236 -45.7236 -45.6805 -45.6805 -45.5669 -45.5669 -45.5612 -45.5612 -30.6079 -30.6079 -30.5933 -30.5933 -11.9280 -11.9280 -11.8750 -11.8750 -11.5673 -11.5673 -11.5437 -11.5437 -11.5006 -11.5006 -11.4836 -11.4836 0.6479 0.6479 2.5816 2.5816 6.0358 6.0358 6.5715 6.5715 6.9553 6.9553 7.1287 7.1287 7.5158 7.5158 7.5828 7.5828 8.0202 8.0202 8.7175 8.7175 9.0012 9.0012 9.1527 9.1527 9.2468 9.2468 9.2915 9.2915 10.5723 10.5723 10.9152 10.9152 11.0185 11.0185 11.7216 11.7216 12.4987 12.4987 12.5586 12.5586 12.9961 12.9961 k = 0.0000 0.2000-0.0000 ( 9143 PWs) bands (ev): -81.6910 -81.6910 -81.6832 -81.6832 -47.3873 -47.3873 -47.3630 -47.3630 -45.7230 -45.7230 -45.6810 -45.6810 -45.5669 -45.5669 -45.5612 -45.5612 -30.6075 -30.6075 -30.5933 -30.5933 -11.9282 -11.9282 -11.8768 -11.8768 -11.5678 -11.5678 -11.5443 -11.5443 -11.5023 -11.5023 -11.4837 -11.4837 0.6875 0.6875 2.5885 2.5885 6.0771 6.0771 6.5754 6.5754 6.9299 6.9299 7.1292 7.1292 7.4627 7.4627 7.6014 7.6014 7.9938 7.9938 8.7221 8.7221 9.0022 9.0022 9.1304 9.1304 9.2133 9.2133 9.2588 9.2588 10.6230 10.6230 10.8288 10.8288 10.9788 10.9788 11.7642 11.7642 12.4397 12.4397 12.5921 12.5921 12.9640 12.9640 k = 0.0000 0.2125-0.0000 ( 9135 PWs) bands (ev): -81.6909 -81.6909 -81.6831 -81.6831 -47.3869 -47.3869 -47.3634 -47.3634 -45.7224 -45.7224 -45.6817 -45.6817 -45.5668 -45.5668 -45.5613 -45.5613 -30.6072 -30.6072 -30.5933 -30.5933 -11.9284 -11.9284 -11.8786 -11.8786 -11.5683 -11.5683 -11.5449 -11.5449 -11.5040 -11.5040 -11.4838 -11.4838 0.7292 0.7292 2.5947 2.5947 6.1205 6.1205 6.5757 6.5757 6.9036 6.9036 7.1302 7.1302 7.4118 7.4118 7.6232 7.6232 7.9668 7.9668 8.7252 8.7252 9.0013 9.0013 9.1076 9.1076 9.1802 9.1802 9.2279 9.2279 10.6724 10.6724 10.7440 10.7440 10.9334 10.9334 11.8099 11.8099 12.3820 12.3820 12.6273 12.6273 12.9350 12.9350 k = 0.0000 0.2250-0.0000 ( 9141 PWs) bands (ev): -81.6909 -81.6909 -81.6832 -81.6832 -47.3865 -47.3865 -47.3638 -47.3638 -45.7218 -45.7218 -45.6824 -45.6824 -45.5667 -45.5667 -45.5614 -45.5614 -30.6068 -30.6068 -30.5934 -30.5934 -11.9286 -11.9286 -11.8805 -11.8805 -11.5689 -11.5689 -11.5454 -11.5454 -11.5056 -11.5056 -11.4840 -11.4840 0.7731 0.7731 2.6000 2.6000 6.1659 6.1659 6.5707 6.5707 6.8760 6.8760 7.1317 7.1317 7.3668 7.3668 7.6462 7.6462 7.9392 7.9392 8.7264 8.7264 8.9975 8.9975 9.0852 9.0852 9.1472 9.1472 9.1990 9.1990 10.6553 10.6553 10.7252 10.7252 10.8830 10.8830 11.8585 11.8585 12.3257 12.3257 12.6634 12.6634 12.9094 12.9094 k = 0.0000 0.2375-0.0000 ( 9145 PWs) bands (ev): -81.6905 -81.6905 -81.6836 -81.6836 -47.3862 -47.3862 -47.3641 -47.3641 -45.7212 -45.7212 -45.6830 -45.6830 -45.5666 -45.5666 -45.5615 -45.5615 -30.6064 -30.6064 -30.5934 -30.5934 -11.9288 -11.9288 -11.8825 -11.8825 -11.5695 -11.5695 -11.5460 -11.5460 -11.5071 -11.5071 -11.4842 -11.4842 0.8192 0.8192 2.6040 2.6040 6.2134 6.2134 6.5597 6.5597 6.8467 6.8467 7.1338 7.1338 7.3296 7.3296 7.6702 7.6702 7.9114 7.9114 8.7266 8.7266 8.9889 8.9889 9.0652 9.0652 9.1154 9.1154 9.1733 9.1733 10.5722 10.5722 10.7720 10.7720 10.8284 10.8284 11.9098 11.9098 12.2706 12.2706 12.7000 12.7000 12.8874 12.8874 k = 0.0000 0.2500-0.0000 ( 9157 PWs) bands (ev): -81.6906 -81.6906 -81.6838 -81.6838 -47.3858 -47.3858 -47.3646 -47.3646 -45.7205 -45.7205 -45.6838 -45.6838 -45.5666 -45.5666 -45.5616 -45.5616 -30.6060 -30.6060 -30.5935 -30.5935 -11.9290 -11.9290 -11.8846 -11.8846 -11.5702 -11.5702 -11.5466 -11.5466 -11.5085 -11.5085 -11.4845 -11.4845 0.8672 0.8672 2.6066 2.6066 6.2625 6.2625 6.5423 6.5423 6.8165 6.8165 7.1367 7.1367 7.3011 7.3011 7.6946 7.6946 7.8832 7.8832 8.7248 8.7248 8.9737 8.9737 9.0468 9.0468 9.0853 9.0853 9.1504 9.1504 10.4900 10.4900 10.7677 10.7677 10.8209 10.8209 11.9636 11.9636 12.2174 12.2174 12.7366 12.7366 12.8693 12.8693 k = 0.0000 0.2625-0.0000 ( 9159 PWs) bands (ev): -81.6906 -81.6906 -81.6839 -81.6839 -47.3854 -47.3854 -47.3651 -47.3651 -45.7198 -45.7198 -45.6846 -45.6846 -45.5665 -45.5665 -45.5617 -45.5617 -30.6055 -30.6055 -30.5936 -30.5936 -11.9291 -11.9291 -11.8867 -11.8867 -11.5709 -11.5709 -11.5472 -11.5472 -11.5097 -11.5097 -11.4849 -11.4849 0.9171 0.9171 2.6075 2.6075 6.3131 6.3131 6.5187 6.5187 6.7861 6.7861 7.1403 7.1403 7.2817 7.2817 7.7199 7.7199 7.8556 7.8556 8.7214 8.7214 8.9530 8.9530 9.0262 9.0262 9.0599 9.0599 9.1315 9.1315 10.4101 10.4101 10.7059 10.7059 10.8667 10.8667 12.0194 12.0194 12.1659 12.1659 12.7727 12.7727 12.8553 12.8553 k = 0.0000 0.2750-0.0000 ( 9155 PWs) bands (ev): -81.6902 -81.6902 -81.6841 -81.6841 -47.3850 -47.3850 -47.3655 -47.3655 -45.7190 -45.7190 -45.6853 -45.6853 -45.5664 -45.5664 -45.5618 -45.5618 -30.6051 -30.6051 -30.5937 -30.5937 -11.9293 -11.9293 -11.8888 -11.8888 -11.5716 -11.5716 -11.5480 -11.5480 -11.5106 -11.5106 -11.4853 -11.4853 0.9689 0.9689 2.6064 2.6064 6.3648 6.3648 6.4893 6.4893 6.7548 6.7548 7.1446 7.1446 7.2711 7.2711 7.7442 7.7442 7.8294 7.8294 8.7169 8.7169 8.9286 8.9286 9.0005 9.0005 9.0411 9.0411 9.1186 9.1186 10.3320 10.3320 10.6409 10.6409 10.9119 10.9119 12.0753 12.0753 12.1180 12.1180 12.8076 12.8076 12.8457 12.8457 k = 0.0000 0.2875-0.0000 ( 9147 PWs) bands (ev): -81.6901 -81.6901 -81.6841 -81.6841 -47.3845 -47.3845 -47.3659 -47.3659 -45.7182 -45.7182 -45.6861 -45.6861 -45.5663 -45.5663 -45.5619 -45.5619 -30.6047 -30.6047 -30.5938 -30.5938 -11.9294 -11.9294 -11.8909 -11.8909 -11.5722 -11.5722 -11.5488 -11.5488 -11.5114 -11.5114 -11.4857 -11.4857 1.0225 1.0225 2.6031 2.6031 6.4170 6.4170 6.4554 6.4554 6.7241 6.7241 7.1498 7.1498 7.2684 7.2684 7.7630 7.7630 7.8094 7.8094 8.7107 8.7107 8.9016 8.9016 8.9703 8.9703 9.0251 9.0251 9.1103 9.1103 10.2570 10.2570 10.5740 10.5740 10.9558 10.9558 12.0643 12.0643 12.1406 12.1406 12.8373 12.8373 12.8443 12.8443 k = 0.0000 0.3000-0.0000 ( 9149 PWs) bands (ev): -81.6900 -81.6900 -81.6842 -81.6842 -47.3840 -47.3840 -47.3664 -47.3664 -45.7174 -45.7174 -45.6870 -45.6870 -45.5662 -45.5662 -45.5620 -45.5620 -30.6042 -30.6042 -30.5939 -30.5939 -11.9295 -11.9295 -11.8931 -11.8931 -11.5729 -11.5729 -11.5498 -11.5498 -11.5120 -11.5120 -11.4862 -11.4862 1.0777 1.0777 2.5973 2.5973 6.4181 6.4181 6.4682 6.4682 6.6952 6.6952 7.1559 7.1559 7.2721 7.2721 7.7569 7.7569 7.8149 7.8149 8.7025 8.7025 8.8727 8.8727 8.9380 8.9380 9.0098 9.0098 9.1059 9.1059 10.1849 10.1849 10.5058 10.5058 10.9978 10.9978 12.0184 12.0184 12.2013 12.2013 12.8390 12.8390 12.8736 12.8736 k = 0.0000 0.3125-0.0000 ( 9150 PWs) bands (ev): -81.6898 -81.6898 -81.6845 -81.6845 -47.3836 -47.3836 -47.3669 -47.3669 -45.7166 -45.7166 -45.6878 -45.6878 -45.5661 -45.5661 -45.5621 -45.5621 -30.6038 -30.6038 -30.5940 -30.5940 -11.9296 -11.9296 -11.8953 -11.8953 -11.5735 -11.5735 -11.5509 -11.5509 -11.5123 -11.5123 -11.4868 -11.4868 1.1344 1.1344 2.5887 2.5887 6.3795 6.3795 6.5138 6.5138 6.6722 6.6722 7.1629 7.1629 7.2811 7.2811 7.7333 7.7333 7.8390 7.8390 8.6922 8.6922 8.8432 8.8432 8.9048 8.9048 8.9951 8.9951 9.1046 9.1046 10.1158 10.1158 10.4369 10.4369 11.0378 11.0378 11.9734 11.9734 12.2640 12.2640 12.8432 12.8432 12.9028 12.9028 k = 0.0000 0.3250-0.0000 ( 9144 PWs) bands (ev): -81.6896 -81.6896 -81.6845 -81.6845 -47.3830 -47.3830 -47.3674 -47.3674 -45.7157 -45.7157 -45.6887 -45.6887 -45.5659 -45.5659 -45.5623 -45.5623 -30.6034 -30.6034 -30.5942 -30.5942 -11.9297 -11.9297 -11.8974 -11.8974 -11.5740 -11.5740 -11.5521 -11.5521 -11.5123 -11.5123 -11.4874 -11.4874 1.1925 1.1925 2.5770 2.5770 6.3408 6.3408 6.5412 6.5412 6.6681 6.6681 7.1709 7.1709 7.2940 7.2940 7.7069 7.7069 7.8670 7.8670 8.6799 8.6799 8.8133 8.8133 8.8715 8.8715 8.9817 8.9817 9.1047 9.1047 10.0505 10.0505 10.3681 10.3681 11.0766 11.0766 11.9300 11.9300 12.3278 12.3278 12.8521 12.8521 12.9296 12.9296 k = 0.0000 0.3375-0.0000 ( 9140 PWs) bands (ev): -81.6895 -81.6895 -81.6845 -81.6845 -47.3825 -47.3825 -47.3679 -47.3679 -45.7148 -45.7148 -45.6895 -45.6895 -45.5658 -45.5658 -45.5624 -45.5624 -30.6029 -30.6029 -30.5943 -30.5943 -11.9296 -11.9296 -11.8996 -11.8996 -11.5745 -11.5745 -11.5534 -11.5534 -11.5122 -11.5122 -11.4880 -11.4880 1.2519 1.2519 2.5623 2.5623 6.3034 6.3034 6.5370 6.5370 6.6961 6.6961 7.1797 7.1797 7.3097 7.3097 7.6798 7.6798 7.8964 7.8964 8.6658 8.6658 8.7831 8.7831 8.8379 8.8379 8.9702 8.9702 9.1052 9.1052 9.9889 9.9889 10.2998 10.2998 11.1134 11.1134 11.8881 11.8881 12.3922 12.3922 12.8658 12.8658 12.9537 12.9537 k = 0.0000 0.3500-0.0000 ( 9146 PWs) bands (ev): -81.6894 -81.6894 -81.6848 -81.6848 -47.3820 -47.3820 -47.3684 -47.3684 -45.7140 -45.7140 -45.6905 -45.6905 -45.5657 -45.5657 -45.5625 -45.5625 -30.6025 -30.6025 -30.5945 -30.5945 -11.9296 -11.9296 -11.9017 -11.9017 -11.5749 -11.5749 -11.5547 -11.5547 -11.5119 -11.5119 -11.4888 -11.4888 1.3124 1.3124 2.5441 2.5441 6.2680 6.2680 6.5131 6.5131 6.7440 6.7440 7.1891 7.1891 7.3271 7.3271 7.6529 7.6529 7.9265 7.9265 8.6491 8.6491 8.7528 8.7528 8.8040 8.8040 8.9608 8.9608 9.1060 9.1060 9.9309 9.9309 10.2328 10.2328 11.1482 11.1482 11.8478 11.8478 12.4568 12.4568 12.8842 12.8842 12.9750 12.9750 k = 0.0000 0.3625-0.0000 ( 9144 PWs) bands (ev): -81.6890 -81.6890 -81.6851 -81.6851 -47.3815 -47.3815 -47.3689 -47.3689 -45.7131 -45.7131 -45.6914 -45.6914 -45.5656 -45.5656 -45.5626 -45.5626 -30.6020 -30.6020 -30.5946 -30.5946 -11.9294 -11.9294 -11.9038 -11.9038 -11.5751 -11.5751 -11.5562 -11.5562 -11.5114 -11.5114 -11.4895 -11.4895 1.3739 1.3739 2.5223 2.5223 6.2358 6.2358 6.4824 6.4824 6.7991 6.7991 7.1995 7.1995 7.3450 7.3450 7.6264 7.6264 7.9577 7.9577 8.6303 8.6303 8.7230 8.7230 8.7706 8.7706 8.9539 8.9539 9.1069 9.1069 9.8776 9.8776 10.1675 10.1675 11.1812 11.1812 11.8090 11.8090 12.5211 12.5211 12.9073 12.9073 12.9936 12.9936 k = 0.0000 0.3750-0.0000 ( 9152 PWs) bands (ev): -81.6890 -81.6890 -81.6853 -81.6853 -47.3810 -47.3810 -47.3695 -47.3695 -45.7122 -45.7122 -45.6924 -45.6924 -45.5655 -45.5655 -45.5628 -45.5628 -30.6016 -30.6016 -30.5948 -30.5948 -11.9293 -11.9293 -11.9059 -11.9059 -11.5753 -11.5753 -11.5577 -11.5577 -11.5108 -11.5108 -11.4903 -11.4903 1.4362 1.4362 2.4970 2.4970 6.2071 6.2071 6.4494 6.4494 6.8567 6.8567 7.2103 7.2103 7.3631 7.3631 7.6003 7.6003 7.9888 7.9888 8.6096 8.6096 8.6934 8.6934 8.7373 8.7373 8.9493 8.9493 9.1067 9.1067 9.8291 9.8291 10.1046 10.1046 11.2125 11.2125 11.7717 11.7717 12.5844 12.5844 12.9350 12.9350 13.0094 13.0094 k = 0.0000 0.3875-0.0000 ( 9156 PWs) bands (ev): -81.6889 -81.6889 -81.6855 -81.6855 -47.3805 -47.3805 -47.3701 -47.3701 -45.7113 -45.7113 -45.6933 -45.6933 -45.5654 -45.5654 -45.5629 -45.5629 -30.6011 -30.6011 -30.5950 -30.5950 -11.9290 -11.9290 -11.9079 -11.9079 -11.5754 -11.5754 -11.5592 -11.5592 -11.5101 -11.5101 -11.4912 -11.4912 1.4991 1.4991 2.4680 2.4680 6.1826 6.1826 6.4156 6.4156 6.9151 6.9151 7.2221 7.2221 7.3800 7.3800 7.5746 7.5746 8.0206 8.0206 8.5869 8.5869 8.6648 8.6648 8.7049 8.7049 8.9473 8.9473 9.1058 9.1058 9.7856 9.7856 10.0444 10.0444 11.2421 11.2421 11.7360 11.7360 12.6462 12.6462 12.9670 12.9670 13.0226 13.0226 k = 0.0000 0.4000-0.0000 ( 9158 PWs) bands (ev): -81.6887 -81.6887 -81.6857 -81.6857 -47.3799 -47.3799 -47.3706 -47.3706 -45.7103 -45.7103 -45.6943 -45.6943 -45.5653 -45.5653 -45.5630 -45.5630 -30.6007 -30.6007 -30.5953 -30.5953 -11.9286 -11.9286 -11.9099 -11.9099 -11.5754 -11.5754 -11.5607 -11.5607 -11.5092 -11.5092 -11.4921 -11.4921 1.5625 1.5625 2.4353 2.4353 6.1625 6.1625 6.3820 6.3820 6.9735 6.9735 7.2346 7.2346 7.3949 7.3949 7.5496 7.5496 8.0530 8.0530 8.5627 8.5627 8.6370 8.6370 8.6736 8.6736 8.9477 8.9477 9.1037 9.1037 9.7480 9.7480 9.9874 9.9874 11.2705 11.2705 11.7018 11.7018 12.7057 12.7057 13.0032 13.0032 13.0336 13.0336 k = 0.0000 0.4125-0.0000 ( 9150 PWs) bands (ev): -81.6885 -81.6885 -81.6858 -81.6858 -47.3793 -47.3793 -47.3712 -47.3712 -45.7093 -45.7093 -45.6953 -45.6953 -45.5651 -45.5651 -45.5632 -45.5632 -30.6003 -30.6003 -30.5955 -30.5955 -11.9282 -11.9282 -11.9117 -11.9117 -11.5752 -11.5752 -11.5622 -11.5622 -11.5083 -11.5083 -11.4931 -11.4931 1.6260 1.6260 2.3991 2.3991 6.1471 6.1471 6.3489 6.3489 7.0310 7.0310 7.2482 7.2482 7.4074 7.4074 7.5255 7.5255 8.0861 8.0861 8.5374 8.5374 8.6109 8.6109 8.6437 8.6437 8.9508 8.9508 9.0994 9.0994 9.7167 9.7167 9.9342 9.9342 11.2977 11.2977 11.6691 11.6691 12.7623 12.7623 13.0401 13.0401 13.0453 13.0453 k = 0.0000 0.4250-0.0000 ( 9146 PWs) bands (ev): -81.6882 -81.6882 -81.6859 -81.6859 -47.3787 -47.3787 -47.3717 -47.3717 -45.7083 -45.7083 -45.6963 -45.6963 -45.5650 -45.5650 -45.5633 -45.5633 -30.5999 -30.5999 -30.5957 -30.5957 -11.9277 -11.9277 -11.9135 -11.9135 -11.5750 -11.5750 -11.5637 -11.5637 -11.5073 -11.5073 -11.4941 -11.4941 1.6897 1.6897 2.3593 2.3593 6.1364 6.1364 6.3169 6.3169 7.0869 7.0869 7.2623 7.2623 7.4156 7.4156 7.5023 7.5023 8.1193 8.1193 8.5105 8.5105 8.5866 8.5866 8.6161 8.6161 8.9563 8.9563 9.0936 9.0936 9.6919 9.6919 9.8848 9.8848 11.3240 11.3240 11.6377 11.6377 12.8150 12.8150 13.0474 13.0474 13.0879 13.0879 k = 0.0000 0.4375-0.0000 ( 9158 PWs) bands (ev): -81.6881 -81.6881 -81.6863 -81.6863 -47.3782 -47.3782 -47.3723 -47.3723 -45.7074 -45.7074 -45.6973 -45.6973 -45.5649 -45.5649 -45.5634 -45.5634 -30.5995 -30.5995 -30.5960 -30.5960 -11.9271 -11.9271 -11.9153 -11.9153 -11.5746 -11.5746 -11.5651 -11.5651 -11.5062 -11.5062 -11.4951 -11.4951 1.7531 1.7531 2.3162 2.3162 6.1303 6.1303 6.2863 6.2863 7.1403 7.1403 7.2771 7.2771 7.4186 7.4186 7.4800 7.4800 8.1527 8.1527 8.4818 8.4818 8.5646 8.5646 8.5908 8.5908 8.9631 8.9631 9.0855 9.0855 9.6740 9.6740 9.8393 9.8393 11.3492 11.3492 11.6076 11.6076 12.8629 12.8629 13.0507 13.0507 13.1352 13.1352 k = 0.0000 0.4500-0.0000 ( 9150 PWs) bands (ev): -81.6878 -81.6878 -81.6865 -81.6865 -47.3776 -47.3776 -47.3729 -47.3729 -45.7064 -45.7064 -45.6983 -45.6983 -45.5647 -45.5647 -45.5635 -45.5635 -30.5990 -30.5990 -30.5963 -30.5963 -11.9264 -11.9264 -11.9169 -11.9169 -11.5741 -11.5741 -11.5664 -11.5664 -11.5051 -11.5051 -11.4961 -11.4961 1.8160 1.8160 2.2699 2.2699 6.1290 6.1290 6.2574 6.2574 7.1907 7.1907 7.2930 7.2930 7.4162 7.4162 7.4593 7.4593 8.1868 8.1868 8.4522 8.4522 8.5465 8.5465 8.5694 8.5694 8.9724 8.9724 9.0759 9.0759 9.6629 9.6629 9.7985 9.7985 11.3741 11.3741 11.5787 11.5787 12.9056 12.9056 13.0512 13.0512 13.1857 13.1857 k = 0.0000 0.4625-0.0000 ( 9150 PWs) bands (ev): -81.6875 -81.6875 -81.6867 -81.6867 -47.3771 -47.3771 -47.3734 -47.3734 -45.7054 -45.7054 -45.6992 -45.6992 -45.5646 -45.5646 -45.5637 -45.5637 -30.5987 -30.5987 -30.5966 -30.5966 -11.9255 -11.9255 -11.9184 -11.9184 -11.5735 -11.5735 -11.5677 -11.5677 -11.5040 -11.5040 -11.4972 -11.4972 1.8783 1.8783 2.2206 2.2206 6.1321 6.1321 6.2305 6.2305 7.2372 7.2372 7.3093 7.3093 7.4077 7.4077 7.4400 7.4400 8.2208 8.2208 8.4213 8.4213 8.5325 8.5325 8.5511 8.5511 8.9834 8.9834 9.0642 9.0642 9.6585 9.6585 9.7625 9.7625 11.3986 11.3986 11.5509 11.5509 12.9426 12.9426 13.0486 13.0486 13.2391 13.2391 k = 0.0000 0.4750-0.0000 ( 9160 PWs) bands (ev): -81.6875 -81.6875 -81.6870 -81.6870 -47.3765 -47.3765 -47.3741 -47.3741 -45.7044 -45.7044 -45.7003 -45.7003 -45.5645 -45.5645 -45.5639 -45.5639 -30.5983 -30.5983 -30.5969 -30.5969 -11.9246 -11.9246 -11.9199 -11.9199 -11.5728 -11.5728 -11.5689 -11.5689 -11.5029 -11.5029 -11.4983 -11.4983 1.9395 1.9395 2.1687 2.1687 6.1394 6.1394 6.2061 6.2061 7.2782 7.2782 7.3258 7.3258 7.3945 7.3945 7.4210 7.4210 8.2548 8.2548 8.3888 8.3888 8.5232 8.5232 8.5364 8.5364 8.9953 8.9953 9.0510 9.0510 9.6609 9.6609 9.7311 9.7311 11.4229 11.4229 11.5240 11.5240 12.9735 12.9735 13.0424 13.0424 13.2948 13.2948 k = 0.0000 0.4875-0.0000 ( 9168 PWs) bands (ev): -81.6876 -81.6876 -81.6871 -81.6871 -47.3759 -47.3759 -47.3748 -47.3748 -45.7034 -45.7034 -45.7014 -45.7014 -45.5643 -45.5643 -45.5641 -45.5641 -30.5979 -30.5979 -30.5972 -30.5972 -11.9236 -11.9236 -11.9212 -11.9212 -11.5720 -11.5720 -11.5700 -11.5700 -11.5017 -11.5017 -11.4995 -11.4995 1.9994 1.9994 2.1143 2.1143 6.1508 6.1508 6.1845 6.1845 7.3124 7.3124 7.3395 7.3395 7.3818 7.3818 7.4015 7.4015 8.2887 8.2887 8.3558 8.3558 8.5190 8.5190 8.5250 8.5250 9.0086 9.0086 9.0368 9.0368 9.6698 9.6698 9.7050 9.7050 11.4475 11.4475 11.4979 11.4979 12.9985 12.9985 13.0325 13.0325 13.3530 13.3530 k = 0.0000 0.5000-0.0000 ( 9178 PWs) bands (ev): -81.6875 -81.6875 -81.6875 -81.6875 -47.3754 -47.3754 -47.3754 -47.3754 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5006 -11.5006 -11.5006 -11.5006 2.0577 2.0577 2.0578 2.0578 6.1659 6.1659 6.1659 6.1659 7.3360 7.3360 7.3361 7.3361 7.3840 7.3840 7.3840 7.3840 8.3222 8.3222 8.3222 8.3222 8.5195 8.5195 8.5195 8.5195 9.0224 9.0224 9.0224 9.0224 9.6844 9.6844 9.6844 9.6844 11.4723 11.4723 11.4723 11.4723 13.0180 13.0180 13.0180 13.0180 13.4131 13.4131 k = 0.0000 0.5000-0.0000 ( 9178 PWs) bands (ev): -81.6875 -81.6875 -81.6875 -81.6875 -47.3754 -47.3754 -47.3754 -47.3754 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5006 -11.5006 -11.5006 -11.5006 2.0577 2.0577 2.0578 2.0578 6.1659 6.1659 6.1659 6.1659 7.3360 7.3360 7.3361 7.3361 7.3840 7.3840 7.3840 7.3840 8.3222 8.3222 8.3222 8.3222 8.5195 8.5195 8.5195 8.5195 9.0224 9.0224 9.0224 9.0224 9.6844 9.6844 9.6844 9.6844 11.4723 11.4723 11.4723 11.4723 13.0180 13.0180 13.0180 13.0180 13.4131 13.4131 k = 0.0125 0.5000-0.0000 ( 9170 PWs) bands (ev): -81.6874 -81.6874 -81.6874 -81.6874 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9224 -11.9224 -11.5719 -11.5719 -11.5703 -11.5703 -11.5014 -11.5014 -11.4999 -11.4999 2.0585 2.0585 2.0587 2.0587 6.1649 6.1649 6.1654 6.1654 7.3332 7.3332 7.3404 7.3404 7.3816 7.3816 7.3883 7.3883 8.3162 8.3162 8.3219 8.3219 8.5203 8.5203 8.5260 8.5260 9.0215 9.0215 9.0225 9.0225 9.6834 9.6834 9.6856 9.6856 11.4659 11.4659 11.4708 11.4708 13.0176 13.0176 13.0188 13.0188 13.3960 13.3960 k = 0.0250 0.5000-0.0000 ( 9158 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5975 -30.5975 -30.5975 -30.5975 -11.9226 -11.9226 -11.9224 -11.9224 -11.5727 -11.5727 -11.5695 -11.5695 -11.5024 -11.5024 -11.4993 -11.4993 2.0608 2.0608 2.0613 2.0613 6.1626 6.1626 6.1634 6.1634 7.3315 7.3315 7.3462 7.3462 7.3809 7.3809 7.3944 7.3944 8.3047 8.3047 8.3150 8.3150 8.5279 8.5279 8.5383 8.5383 9.0197 9.0197 9.0218 9.0218 9.6828 9.6828 9.6872 9.6872 11.4513 11.4513 11.4610 11.4610 13.0169 13.0169 13.0193 13.0193 13.3560 13.3561 k = 0.0375 0.5000-0.0000 ( 9166 PWs) bands (ev): -81.6873 -81.6873 -81.6873 -81.6873 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5641 -45.5641 -45.5641 -45.5641 -30.5975 -30.5975 -30.5975 -30.5975 -11.9227 -11.9227 -11.9225 -11.9225 -11.5735 -11.5735 -11.5687 -11.5687 -11.5035 -11.5035 -11.4988 -11.4988 2.0649 2.0649 2.0655 2.0655 6.1587 6.1587 6.1599 6.1599 7.3314 7.3314 7.3523 7.3523 7.3823 7.3823 7.4014 7.4014 8.2888 8.2888 8.3023 8.3023 8.5408 8.5408 8.5542 8.5542 9.0167 9.0167 9.0198 9.0198 9.6822 9.6822 9.6887 9.6887 11.4289 11.4289 11.4434 11.4434 13.0121 13.0121 13.0160 13.0160 13.3040 13.3040 k = 0.0500 0.5000-0.0000 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5641 -45.5641 -45.5641 -45.5641 -30.5975 -30.5975 -30.5975 -30.5975 -11.9228 -11.9228 -11.9225 -11.9225 -11.5744 -11.5744 -11.5680 -11.5680 -11.5047 -11.5047 -11.4985 -11.4985 2.0705 2.0705 2.0714 2.0714 6.1533 6.1533 6.1549 6.1549 7.3331 7.3331 7.3593 7.3593 7.3864 7.3864 7.4101 7.4101 8.2709 8.2709 8.2864 8.2864 8.5581 8.5581 8.5735 8.5735 9.0130 9.0130 9.0172 9.0172 9.6820 9.6820 9.6907 9.6907 11.3998 11.3998 11.4187 11.4187 12.9966 12.9966 13.0024 13.0024 13.2545 13.2546 k = 0.0625 0.5000-0.0000 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5641 -45.5641 -45.5641 -45.5641 -30.5974 -30.5974 -30.5974 -30.5974 -11.9230 -11.9230 -11.9226 -11.9226 -11.5752 -11.5752 -11.5672 -11.5672 -11.5060 -11.5060 -11.4983 -11.4983 2.0778 2.0778 2.0789 2.0789 6.1463 6.1463 6.1483 6.1483 7.3361 7.3361 7.3664 7.3664 7.3930 7.3930 7.4200 7.4200 8.2515 8.2515 8.2681 8.2681 8.5774 8.5774 8.5937 8.5937 9.0081 9.0081 9.0136 9.0136 9.6818 9.6818 9.6927 9.6927 11.3646 11.3646 11.3875 11.3875 12.9603 12.9603 12.9687 12.9687 13.2214 13.2214 k = 0.0750 0.5000-0.0000 ( 9156 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3753 -47.3753 -47.3753 -47.3753 -45.7025 -45.7025 -45.7024 -45.7024 -45.5641 -45.5641 -45.5640 -45.5640 -30.5973 -30.5973 -30.5973 -30.5973 -11.9232 -11.9232 -11.9227 -11.9227 -11.5761 -11.5761 -11.5665 -11.5665 -11.5075 -11.5075 -11.4982 -11.4982 2.0867 2.0867 2.0879 2.0879 6.1378 6.1378 6.1402 6.1402 7.3407 7.3407 7.3736 7.3736 7.4022 7.4022 7.4311 7.4311 8.2313 8.2313 8.2484 8.2484 8.5979 8.5979 8.6144 8.6144 9.0022 9.0022 9.0092 9.0092 9.6819 9.6819 9.6948 9.6948 11.3240 11.3240 11.3508 11.3508 12.9000 12.9000 12.9109 12.9109 13.2105 13.2105 k = 0.0875 0.5000-0.0000 ( 9162 PWs) bands (ev): -81.6873 -81.6873 -81.6873 -81.6873 -47.3753 -47.3753 -47.3753 -47.3753 -45.7025 -45.7025 -45.7025 -45.7025 -45.5640 -45.5640 -45.5640 -45.5640 -30.5973 -30.5973 -30.5973 -30.5973 -11.9234 -11.9234 -11.9229 -11.9229 -11.5770 -11.5770 -11.5658 -11.5658 -11.5090 -11.5090 -11.4983 -11.4983 2.0971 2.0971 2.0986 2.0986 6.1276 6.1276 6.1303 6.1303 7.3470 7.3470 7.3815 7.3815 7.4139 7.4139 7.4435 7.4435 8.2108 8.2108 8.2279 8.2279 8.6191 8.6191 8.6353 8.6353 8.9954 8.9954 9.0040 9.0040 9.6821 9.6821 9.6970 9.6970 11.2792 11.2792 11.3095 11.3095 12.8223 12.8223 12.8350 12.8350 13.2168 13.2168 k = 0.1000 0.5000-0.0000 ( 9142 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3753 -47.3753 -47.3753 -47.3753 -45.7025 -45.7025 -45.7024 -45.7024 -45.5640 -45.5640 -45.5639 -45.5639 -30.5972 -30.5972 -30.5972 -30.5972 -11.9236 -11.9236 -11.9231 -11.9231 -11.5778 -11.5778 -11.5652 -11.5652 -11.5106 -11.5106 -11.4984 -11.4984 2.1091 2.1091 2.1108 2.1108 6.1158 6.1158 6.1189 6.1189 7.3554 7.3554 7.3907 7.3907 7.4279 7.4279 7.4574 7.4574 8.1909 8.1909 8.2078 8.2078 8.6414 8.6414 8.6566 8.6566 8.9879 8.9879 8.9984 8.9984 9.6828 9.6828 9.6996 9.6996 11.2316 11.2316 11.2651 11.2651 12.7349 12.7349 12.7487 12.7487 13.2335 13.2351 k = 0.1125 0.5000-0.0000 ( 9132 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3752 -47.3752 -47.3752 -47.3752 -45.7025 -45.7025 -45.7025 -45.7025 -45.5639 -45.5639 -45.5639 -45.5639 -30.5971 -30.5971 -30.5971 -30.5971 -11.9239 -11.9239 -11.9233 -11.9233 -11.5787 -11.5787 -11.5646 -11.5646 -11.5123 -11.5123 -11.4986 -11.4986 2.1226 2.1226 2.1245 2.1245 6.1024 6.1024 6.1058 6.1058 7.3653 7.3653 7.4009 7.4009 7.4435 7.4435 7.4725 7.4725 8.1714 8.1714 8.1878 8.1878 8.6627 8.6627 8.6764 8.6764 8.9797 8.9797 8.9925 8.9925 9.6835 9.6835 9.7022 9.7022 11.1814 11.1814 11.2177 11.2177 12.6425 12.6425 12.6568 12.6568 13.2563 13.2567 k = 0.1250 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3753 -47.3753 -47.3753 -47.3753 -45.7026 -45.7026 -45.7025 -45.7025 -45.5638 -45.5638 -45.5638 -45.5638 -30.5969 -30.5969 -30.5969 -30.5969 -11.9242 -11.9242 -11.9235 -11.9235 -11.5795 -11.5795 -11.5640 -11.5640 -11.5140 -11.5140 -11.4990 -11.4990 2.1376 2.1376 2.1396 2.1396 6.0871 6.0871 6.0908 6.0908 7.3768 7.3768 7.4124 7.4124 7.4605 7.4605 7.4884 7.4884 8.1520 8.1520 8.1677 8.1677 8.6831 8.6831 8.6946 8.6946 8.9708 8.9708 8.9864 8.9864 9.6842 9.6842 9.7048 9.7048 11.1293 11.1293 11.1683 11.1683 12.5471 12.5471 12.5618 12.5618 13.2830 13.2895 k = 0.1375 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3753 -47.3753 -47.3753 -47.3753 -45.7026 -45.7026 -45.7026 -45.7026 -45.5638 -45.5638 -45.5637 -45.5637 -30.5968 -30.5968 -30.5968 -30.5968 -11.9245 -11.9245 -11.9238 -11.9238 -11.5804 -11.5804 -11.5635 -11.5635 -11.5158 -11.5158 -11.4994 -11.4994 2.1539 2.1539 2.1561 2.1561 6.0701 6.0701 6.0741 6.0741 7.3899 7.3899 7.4253 7.4253 7.4790 7.4790 7.5055 7.5055 8.1335 8.1335 8.1482 8.1482 8.7023 8.7023 8.7109 8.7109 8.9617 8.9617 8.9807 8.9807 9.6850 9.6850 9.7073 9.7073 11.0765 11.0765 11.1179 11.1179 12.4508 12.4508 12.4657 12.4657 13.3123 13.3139 k = 0.1500 0.5000-0.0000 ( 9140 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3753 -47.3753 -47.3753 -47.3753 -45.7027 -45.7027 -45.7027 -45.7027 -45.5637 -45.5637 -45.5637 -45.5637 -30.5967 -30.5967 -30.5967 -30.5967 -11.9249 -11.9249 -11.9241 -11.9241 -11.5812 -11.5812 -11.5630 -11.5630 -11.5176 -11.5176 -11.4999 -11.4999 2.1716 2.1716 2.1740 2.1740 6.0514 6.0514 6.0557 6.0557 7.4046 7.4046 7.4398 7.4398 7.4987 7.4987 7.5237 7.5237 8.1158 8.1158 8.1293 8.1293 8.7198 8.7198 8.7248 8.7248 8.9526 8.9526 8.9757 8.9757 9.6857 9.6857 9.7097 9.7097 11.0235 11.0235 11.0669 11.0669 12.3542 12.3542 12.3691 12.3691 13.3437 13.3448 k = 0.1625 0.5000-0.0000 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3754 -47.3754 -47.3753 -47.3753 -45.7028 -45.7028 -45.7027 -45.7027 -45.5636 -45.5636 -45.5636 -45.5636 -30.5966 -30.5966 -30.5966 -30.5966 -11.9253 -11.9253 -11.9245 -11.9245 -11.5821 -11.5821 -11.5626 -11.5626 -11.5195 -11.5195 -11.5006 -11.5006 2.1907 2.1907 2.1932 2.1932 6.0310 6.0310 6.0356 6.0356 7.4207 7.4207 7.4554 7.4554 7.5200 7.5200 7.5430 7.5430 8.0992 8.0992 8.1114 8.1114 8.7349 8.7349 8.7355 8.7355 8.9439 8.9439 8.9718 8.9718 9.6861 9.6861 9.7117 9.7117 10.9711 10.9711 11.0164 11.0164 12.2582 12.2582 12.2731 12.2731 13.3766 13.3776 k = 0.1750 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3753 -47.3753 -47.3753 -47.3753 -45.7028 -45.7028 -45.7028 -45.7028 -45.5636 -45.5636 -45.5635 -45.5635 -30.5964 -30.5964 -30.5964 -30.5964 -11.9257 -11.9257 -11.9248 -11.9248 -11.5829 -11.5829 -11.5622 -11.5622 -11.5213 -11.5213 -11.5012 -11.5012 2.2109 2.2109 2.2136 2.2136 6.0089 6.0089 6.0137 6.0137 7.4385 7.4385 7.4727 7.4727 7.5423 7.5423 7.5633 7.5633 8.0839 8.0839 8.0944 8.0944 8.7431 8.7431 8.7475 8.7475 8.9370 8.9370 8.9703 8.9703 9.6866 9.6866 9.7136 9.7136 10.9198 10.9198 10.9666 10.9666 12.1633 12.1633 12.1782 12.1782 13.4109 13.4123 k = 0.1875 0.5000-0.0000 ( 9130 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3753 -47.3753 -47.3753 -47.3753 -45.7029 -45.7029 -45.7028 -45.7028 -45.5635 -45.5635 -45.5635 -45.5635 -30.5963 -30.5963 -30.5963 -30.5963 -11.9261 -11.9261 -11.9252 -11.9252 -11.5837 -11.5837 -11.5619 -11.5619 -11.5231 -11.5231 -11.5020 -11.5020 2.2323 2.2323 2.2351 2.2351 5.9852 5.9852 5.9902 5.9902 7.4577 7.4577 7.4913 7.4913 7.5658 7.5658 7.5845 7.5845 8.0694 8.0694 8.0781 8.0781 8.7463 8.7463 8.7560 8.7560 8.9321 8.9321 8.9710 8.9710 9.6867 9.6867 9.7151 9.7151 10.8701 10.8701 10.9181 10.9181 12.0700 12.0700 12.0848 12.0848 13.4459 13.4496 k = 0.2000 0.5000-0.0000 ( 9134 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3754 -47.3754 -47.3753 -47.3753 -45.7030 -45.7030 -45.7029 -45.7029 -45.5634 -45.5634 -45.5634 -45.5634 -30.5961 -30.5961 -30.5961 -30.5961 -11.9266 -11.9266 -11.9257 -11.9257 -11.5844 -11.5844 -11.5617 -11.5617 -11.5248 -11.5248 -11.5028 -11.5028 2.2548 2.2548 2.2577 2.2577 5.9600 5.9600 5.9651 5.9651 7.4779 7.4779 7.5109 7.5109 7.5903 7.5903 7.6063 7.6063 8.0565 8.0565 8.0630 8.0630 8.7455 8.7455 8.7598 8.7598 8.9295 8.9295 8.9735 8.9735 9.6857 9.6857 9.7154 9.7154 10.8222 10.8222 10.8713 10.8713 11.9785 11.9785 11.9932 11.9932 13.4815 13.4893 k = 0.2125 0.5000-0.0000 ( 9146 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3754 -47.3754 -47.3754 -47.3754 -45.7031 -45.7031 -45.7030 -45.7030 -45.5634 -45.5634 -45.5634 -45.5634 -30.5959 -30.5959 -30.5959 -30.5959 -11.9270 -11.9270 -11.9262 -11.9262 -11.5852 -11.5852 -11.5616 -11.5616 -11.5265 -11.5265 -11.5036 -11.5036 2.2783 2.2783 2.2813 2.2813 5.9333 5.9333 5.9386 5.9386 7.4991 7.4991 7.5314 7.5314 7.6155 7.6155 7.6287 7.6287 8.0447 8.0447 8.0487 8.0487 8.7406 8.7406 8.7587 8.7587 8.9301 8.9301 8.9780 8.9780 9.6838 9.6838 9.7147 9.7147 10.7764 10.7764 10.8262 10.8262 11.8892 11.8892 11.9038 11.9038 13.5189 13.5216 k = 0.2250 0.5000-0.0000 ( 9138 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3754 -47.3754 -47.3754 -47.3754 -45.7031 -45.7031 -45.7031 -45.7031 -45.5633 -45.5633 -45.5633 -45.5633 -30.5958 -30.5958 -30.5958 -30.5958 -11.9275 -11.9275 -11.9267 -11.9267 -11.5859 -11.5859 -11.5617 -11.5617 -11.5281 -11.5281 -11.5045 -11.5045 2.3026 2.3026 2.3057 2.3057 5.9054 5.9054 5.9107 5.9107 7.5216 7.5216 7.5531 7.5531 7.6417 7.6417 7.6516 7.6516 8.0350 8.0350 8.0361 8.0361 8.7330 8.7330 8.7535 8.7535 8.9340 8.9340 8.9847 8.9847 9.6813 9.6813 9.7132 9.7132 10.7334 10.7334 10.7836 10.7836 11.8028 11.8028 11.8172 11.8172 13.5544 13.5578 k = 0.2375 0.5000-0.0000 ( 9138 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3754 -47.3754 -47.3754 -47.3754 -45.7032 -45.7032 -45.7031 -45.7031 -45.5632 -45.5632 -45.5632 -45.5632 -30.5956 -30.5956 -30.5956 -30.5956 -11.9281 -11.9281 -11.9272 -11.9272 -11.5865 -11.5865 -11.5618 -11.5618 -11.5295 -11.5295 -11.5054 -11.5054 2.3277 2.3277 2.3309 2.3309 5.8762 5.8762 5.8816 5.8816 7.5445 7.5445 7.5753 7.5753 7.6684 7.6684 7.6747 7.6747 8.0247 8.0247 8.0270 8.0270 8.7227 8.7227 8.7446 8.7446 8.9401 8.9401 8.9924 8.9924 9.6773 9.6773 9.7102 9.7102 10.6930 10.6930 10.7433 10.7433 11.7194 11.7194 11.7336 11.7336 13.5911 13.5947 k = 0.2500 0.5000-0.0000 ( 9134 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3754 -47.3754 -47.3754 -47.3754 -45.7033 -45.7033 -45.7032 -45.7032 -45.5631 -45.5631 -45.5631 -45.5631 -30.5955 -30.5955 -30.5955 -30.5955 -11.9286 -11.9286 -11.9277 -11.9277 -11.5871 -11.5871 -11.5622 -11.5622 -11.5307 -11.5307 -11.5064 -11.5064 2.3535 2.3535 2.3568 2.3568 5.8460 5.8460 5.8514 5.8514 7.5678 7.5678 7.5979 7.5979 7.6957 7.6957 7.6978 7.6978 8.0149 8.0149 8.0209 8.0209 8.7107 8.7107 8.7332 8.7332 8.9477 8.9477 9.0008 9.0008 9.6719 9.6719 9.7055 9.7055 10.6555 10.6555 10.7057 10.7057 11.6397 11.6397 11.6536 11.6536 13.6263 13.6293 k = 0.2625 0.5000-0.0000 ( 9130 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3754 -47.3754 -47.3754 -47.3754 -45.7033 -45.7033 -45.7033 -45.7033 -45.5630 -45.5630 -45.5630 -45.5630 -30.5953 -30.5953 -30.5953 -30.5953 -11.9292 -11.9292 -11.9283 -11.9283 -11.5877 -11.5877 -11.5627 -11.5627 -11.5318 -11.5318 -11.5074 -11.5074 2.3798 2.3798 2.3831 2.3831 5.8150 5.8150 5.8205 5.8205 7.5915 7.5915 7.6207 7.6207 7.7206 7.7206 7.7230 7.7230 8.0070 8.0070 8.0174 8.0174 8.6978 8.6978 8.7202 8.7202 8.9556 8.9556 9.0089 9.0089 9.6644 9.6644 9.6987 9.6987 10.6209 10.6209 10.6705 10.6705 11.5639 11.5639 11.5775 11.5775 13.6617 13.6695 k = 0.2750 0.5000-0.0000 ( 9126 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3754 -47.3754 -47.3754 -47.3754 -45.7034 -45.7034 -45.7033 -45.7033 -45.5629 -45.5629 -45.5629 -45.5629 -30.5951 -30.5951 -30.5951 -30.5951 -11.9297 -11.9297 -11.9289 -11.9289 -11.5882 -11.5882 -11.5633 -11.5633 -11.5327 -11.5327 -11.5084 -11.5084 2.4065 2.4065 2.4098 2.4098 5.7834 5.7834 5.7888 5.7888 7.6150 7.6150 7.6434 7.6434 7.7427 7.7427 7.7502 7.7502 8.0010 8.0010 8.0162 8.0162 8.6842 8.6842 8.7063 8.7063 8.9636 8.9636 9.0169 9.0169 9.6550 9.6550 9.6898 9.6898 10.5893 10.5893 10.6381 10.6381 11.4925 11.4925 11.5058 11.5058 13.6958 13.7005 k = 0.2875 0.5000-0.0000 ( 9134 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3755 -47.3755 -47.3755 -47.3755 -45.7035 -45.7035 -45.7034 -45.7034 -45.5629 -45.5629 -45.5628 -45.5628 -30.5950 -30.5950 -30.5950 -30.5950 -11.9303 -11.9303 -11.9294 -11.9294 -11.5887 -11.5887 -11.5641 -11.5641 -11.5334 -11.5334 -11.5095 -11.5095 2.4334 2.4334 2.4368 2.4368 5.7512 5.7512 5.7565 5.7565 7.6382 7.6382 7.6658 7.6658 7.7636 7.7636 7.7765 7.7765 7.9971 7.9971 8.0176 8.0176 8.6702 8.6702 8.6917 8.6917 8.9715 8.9715 9.0245 9.0245 9.6434 9.6434 9.6785 9.6785 10.5599 10.5599 10.6075 10.6075 11.4259 11.4259 11.4386 11.4386 13.7288 13.7342 k = 0.3000 0.5000-0.0000 ( 9124 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3755 -47.3755 -47.3754 -47.3754 -45.7035 -45.7035 -45.7034 -45.7034 -45.5628 -45.5628 -45.5627 -45.5627 -30.5948 -30.5948 -30.5948 -30.5948 -11.9309 -11.9309 -11.9300 -11.9300 -11.5891 -11.5891 -11.5651 -11.5651 -11.5339 -11.5339 -11.5105 -11.5105 2.4604 2.4604 2.4638 2.4638 5.7189 5.7189 5.7241 5.7241 7.6609 7.6609 7.6877 7.6877 7.7830 7.7830 7.8013 7.8013 7.9968 7.9968 8.0226 8.0226 8.6572 8.6572 8.6779 8.6779 8.9791 8.9791 9.0316 9.0316 9.6294 9.6294 9.6648 9.6648 10.5334 10.5334 10.5793 10.5793 11.3646 11.3646 11.3767 11.3767 13.7577 13.7648 k = 0.3125 0.5000-0.0000 ( 9132 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3755 -47.3755 -47.3755 -47.3755 -45.7036 -45.7036 -45.7035 -45.7035 -45.5627 -45.5627 -45.5627 -45.5627 -30.5946 -30.5946 -30.5946 -30.5946 -11.9314 -11.9314 -11.9306 -11.9306 -11.5894 -11.5894 -11.5662 -11.5662 -11.5342 -11.5342 -11.5116 -11.5116 2.4873 2.4873 2.4907 2.4907 5.6864 5.6864 5.6916 5.6916 7.6824 7.6824 7.7085 7.7085 7.8007 7.8007 7.8238 7.8238 7.9998 7.9998 8.0305 8.0305 8.6448 8.6448 8.6646 8.6646 8.9857 8.9857 9.0376 9.0376 9.6127 9.6127 9.6482 9.6482 10.5086 10.5086 10.5526 10.5526 11.3087 11.3087 11.3201 11.3201 13.7846 13.7930 k = 0.3250 0.5000-0.0000 ( 9134 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3755 -47.3755 -47.3755 -47.3755 -45.7037 -45.7037 -45.7036 -45.7036 -45.5627 -45.5627 -45.5626 -45.5626 -30.5945 -30.5945 -30.5945 -30.5945 -11.9320 -11.9320 -11.9312 -11.9312 -11.5897 -11.5897 -11.5674 -11.5674 -11.5344 -11.5344 -11.5126 -11.5126 2.5140 2.5140 2.5172 2.5172 5.6543 5.6543 5.6593 5.6593 7.7028 7.7028 7.7282 7.7282 7.8164 7.8164 7.8430 7.8430 8.0072 8.0072 8.0416 8.0416 8.6337 8.6337 8.6524 8.6524 8.9919 8.9919 9.0431 9.0431 9.5936 9.5936 9.6291 9.6291 10.4861 10.4861 10.5278 10.5278 11.2588 11.2588 11.2693 11.2693 13.8084 13.8159 k = 0.3375 0.5000-0.0000 ( 9134 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3755 -47.3755 -47.3755 -47.3755 -45.7037 -45.7037 -45.7037 -45.7037 -45.5626 -45.5626 -45.5626 -45.5626 -30.5944 -30.5944 -30.5943 -30.5943 -11.9326 -11.9326 -11.9318 -11.9318 -11.5899 -11.5899 -11.5686 -11.5686 -11.5344 -11.5344 -11.5137 -11.5137 2.5401 2.5401 2.5434 2.5434 5.6227 5.6227 5.6276 5.6276 7.7216 7.7216 7.7463 7.7463 7.8303 7.8303 7.8584 7.8584 8.0194 8.0194 8.0555 8.0555 8.6243 8.6243 8.6418 8.6418 8.9978 8.9978 9.0481 9.0481 9.5719 9.5719 9.6073 9.6073 10.4656 10.4656 10.5046 10.5046 11.2149 11.2149 11.2245 11.2245 13.8281 13.8342 k = 0.3500 0.5000-0.0000 ( 9142 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3756 -47.3756 -47.3756 -47.3756 -45.7038 -45.7038 -45.7037 -45.7037 -45.5626 -45.5626 -45.5625 -45.5625 -30.5942 -30.5942 -30.5942 -30.5942 -11.9331 -11.9331 -11.9324 -11.9324 -11.5900 -11.5900 -11.5700 -11.5700 -11.5342 -11.5342 -11.5147 -11.5147 2.5656 2.5656 2.5688 2.5688 5.5918 5.5918 5.5965 5.5965 7.7388 7.7388 7.7630 7.7630 7.8424 7.8424 7.8699 7.8699 8.0358 8.0358 8.0715 8.0715 8.6168 8.6168 8.6327 8.6327 9.0031 9.0031 9.0524 9.0524 9.5476 9.5476 9.5829 9.5829 10.4461 10.4461 10.4823 10.4823 11.1769 11.1769 11.1855 11.1855 13.8426 13.8501 k = 0.3625 0.5000-0.0000 ( 9134 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3756 -47.3756 -47.3755 -47.3755 -45.7038 -45.7038 -45.7038 -45.7038 -45.5625 -45.5625 -45.5624 -45.5624 -30.5941 -30.5941 -30.5941 -30.5941 -11.9336 -11.9336 -11.9330 -11.9330 -11.5900 -11.5900 -11.5714 -11.5714 -11.5340 -11.5340 -11.5158 -11.5158 2.5903 2.5903 2.5933 2.5933 5.5621 5.5621 5.5665 5.5665 7.7541 7.7541 7.7779 7.7779 7.8536 7.8536 7.8787 7.8787 8.0559 8.0559 8.0894 8.0894 8.6117 8.6117 8.6260 8.6260 9.0086 9.0086 9.0566 9.0566 9.5211 9.5211 9.5561 9.5561 10.4282 10.4282 10.4614 10.4614 11.1449 11.1449 11.1524 11.1524 13.8544 13.8563 k = 0.3750 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3756 -47.3756 -47.3756 -47.3756 -45.7039 -45.7039 -45.7039 -45.7039 -45.5624 -45.5624 -45.5624 -45.5624 -30.5940 -30.5940 -30.5940 -30.5940 -11.9341 -11.9341 -11.9335 -11.9335 -11.5900 -11.5900 -11.5728 -11.5728 -11.5336 -11.5336 -11.5169 -11.5169 2.6138 2.6138 2.6167 2.6167 5.5336 5.5336 5.5377 5.5377 7.7672 7.7672 7.7905 7.7905 7.8635 7.8635 7.8851 7.8851 8.0778 8.0778 8.1080 8.1080 8.6089 8.6089 8.6213 8.6213 9.0141 9.0141 9.0607 9.0607 9.4922 9.4922 9.5269 9.5269 10.4115 10.4115 10.4415 10.4415 11.1184 11.1184 11.1248 11.1248 13.8600 13.8632 k = 0.3875 0.5000-0.0000 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3755 -47.3755 -45.7039 -45.7039 -45.7039 -45.7039 -45.5623 -45.5623 -45.5623 -45.5623 -30.5938 -30.5938 -30.5938 -30.5938 -11.9346 -11.9346 -11.9340 -11.9340 -11.5898 -11.5898 -11.5742 -11.5742 -11.5332 -11.5332 -11.5179 -11.5179 2.6361 2.6361 2.6387 2.6387 5.5069 5.5069 5.5107 5.5107 7.7789 7.7789 7.8015 7.8015 7.8724 7.8724 7.8902 7.8902 8.1004 8.1004 8.1267 8.1267 8.6084 8.6084 8.6187 8.6187 9.0201 9.0201 9.0653 9.0653 9.4616 9.4616 9.4960 9.4960 10.3964 10.3964 10.4232 10.4232 11.0971 11.0971 11.1025 11.1025 13.8612 13.8656 k = 0.4000 0.5000-0.0000 ( 9144 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3756 -47.3756 -47.3756 -47.3756 -45.7040 -45.7040 -45.7040 -45.7040 -45.5623 -45.5623 -45.5623 -45.5623 -30.5937 -30.5937 -30.5937 -30.5937 -11.9350 -11.9350 -11.9345 -11.9345 -11.5896 -11.5896 -11.5756 -11.5756 -11.5327 -11.5327 -11.5189 -11.5189 2.6567 2.6567 2.6592 2.6592 5.4819 5.4819 5.4854 5.4854 7.7886 7.7886 7.8103 7.8103 7.8801 7.8801 7.8937 7.8937 8.1227 8.1227 8.1447 8.1447 8.6098 8.6098 8.6179 8.6179 9.0264 9.0264 9.0699 9.0699 9.4290 9.4290 9.4630 9.4630 10.3821 10.3821 10.4056 10.4056 11.0803 11.0803 11.0847 11.0847 13.8590 13.8638 k = 0.4125 0.5000-0.0000 ( 9148 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3756 -47.3756 -45.7041 -45.7041 -45.7040 -45.7040 -45.5623 -45.5623 -45.5623 -45.5623 -30.5937 -30.5937 -30.5937 -30.5937 -11.9354 -11.9354 -11.9349 -11.9349 -11.5894 -11.5894 -11.5769 -11.5769 -11.5321 -11.5321 -11.5200 -11.5200 2.6756 2.6756 2.6778 2.6778 5.4591 5.4591 5.4622 5.4622 7.7969 7.7969 7.8173 7.8173 7.8867 7.8867 7.8968 7.8968 8.1441 8.1441 8.1619 8.1619 8.6134 8.6134 8.6194 8.6194 9.0341 9.0341 9.0758 9.0758 9.3953 9.3953 9.4289 9.4289 10.3695 10.3695 10.3899 10.3899 11.0676 11.0676 11.0710 11.0710 13.8557 13.8564 k = 0.4250 0.5000-0.0000 ( 9144 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3756 -47.3756 -45.7041 -45.7041 -45.7040 -45.7040 -45.5623 -45.5623 -45.5622 -45.5622 -30.5936 -30.5936 -30.5936 -30.5936 -11.9357 -11.9357 -11.9353 -11.9353 -11.5890 -11.5890 -11.5783 -11.5783 -11.5314 -11.5314 -11.5210 -11.5210 2.6926 2.6926 2.6945 2.6945 5.4389 5.4389 5.4416 5.4416 7.8042 7.8042 7.8228 7.8228 7.8923 7.8923 7.8993 7.8993 8.1636 8.1636 8.1775 8.1775 8.6185 8.6185 8.6224 8.6224 9.0435 9.0435 9.0833 9.0833 9.3610 9.3610 9.3942 9.3942 10.3591 10.3591 10.3763 10.3763 11.0582 11.0582 11.0608 11.0608 13.8473 13.8511 k = 0.4375 0.5000-0.0000 ( 9144 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3757 -47.3757 -45.7041 -45.7041 -45.7041 -45.7041 -45.5622 -45.5622 -45.5622 -45.5622 -30.5935 -30.5935 -30.5935 -30.5935 -11.9360 -11.9360 -11.9357 -11.9357 -11.5885 -11.5885 -11.5795 -11.5795 -11.5308 -11.5308 -11.5220 -11.5220 2.7073 2.7073 2.7090 2.7090 5.4213 5.4213 5.4236 5.4236 7.8104 7.8104 7.8269 7.8269 7.8966 7.8966 7.9012 7.9012 8.1810 8.1810 8.1914 8.1914 8.6244 8.6244 8.6265 8.6265 9.0548 9.0548 9.0927 9.0927 9.3267 9.3267 9.3593 9.3593 10.3500 10.3500 10.3642 10.3642 11.0514 11.0514 11.0533 11.0533 13.8401 13.8418 k = 0.4500 0.5000-0.0000 ( 9144 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3757 -47.3757 -45.7041 -45.7041 -45.7041 -45.7041 -45.5622 -45.5622 -45.5622 -45.5622 -30.5934 -30.5934 -30.5934 -30.5934 -11.9362 -11.9362 -11.9360 -11.9360 -11.5880 -11.5880 -11.5808 -11.5808 -11.5300 -11.5300 -11.5230 -11.5230 2.7197 2.7197 2.7210 2.7210 5.4067 5.4067 5.4086 5.4086 7.8159 7.8159 7.8297 7.8297 7.9000 7.9000 7.9027 7.9027 8.1955 8.1955 8.2029 8.2029 8.6304 8.6304 8.6312 8.6312 9.0680 9.0680 9.1038 9.1038 9.2930 9.2930 9.3248 9.3248 10.3430 10.3430 10.3542 10.3542 11.0467 11.0467 11.0481 11.0481 13.8323 13.8349 k = 0.4625 0.5000-0.0000 ( 9152 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7041 -45.7041 -45.5622 -45.5622 -45.5622 -45.5622 -30.5934 -30.5934 -30.5934 -30.5934 -11.9364 -11.9364 -11.9362 -11.9362 -11.5874 -11.5874 -11.5819 -11.5819 -11.5292 -11.5292 -11.5239 -11.5239 2.7295 2.7295 2.7306 2.7306 5.3950 5.3950 5.3965 5.3965 7.8207 7.8207 7.8315 7.8315 7.9022 7.9022 7.9036 7.9036 8.2072 8.2072 8.2122 8.2122 8.6358 8.6358 8.6358 8.6358 9.0836 9.0836 9.1169 9.1169 9.2612 9.2612 9.2917 9.2917 10.3369 10.3369 10.3452 10.3452 11.0435 11.0435 11.0445 11.0445 13.8256 13.8271 k = 0.4750 0.5000-0.0000 ( 9164 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3758 -47.3758 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5622 -45.5622 -45.5622 -45.5622 -30.5934 -30.5934 -30.5934 -30.5934 -11.9365 -11.9365 -11.9364 -11.9364 -11.5867 -11.5867 -11.5830 -11.5830 -11.5284 -11.5284 -11.5249 -11.5249 2.7367 2.7367 2.7374 2.7374 5.3867 5.3867 5.3877 5.3877 7.8244 7.8244 7.8318 7.8318 7.9037 7.9037 7.9042 7.9042 8.2154 8.2154 8.2184 8.2184 8.6397 8.6397 8.6401 8.6401 9.1010 9.1010 9.1303 9.1303 9.2330 9.2330 9.2605 9.2605 10.3334 10.3334 10.3389 10.3389 11.0415 11.0415 11.0421 11.0421 13.8201 13.8218 k = 0.4875 0.5000-0.0000 ( 9152 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5622 -45.5622 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9365 -11.9365 -11.5859 -11.5859 -11.5840 -11.5840 -11.5276 -11.5276 -11.5258 -11.5258 2.7411 2.7411 2.7415 2.7415 5.3819 5.3819 5.3824 5.3824 7.8276 7.8276 7.8314 7.8314 7.9045 7.9045 7.9047 7.9047 8.2210 8.2210 8.2224 8.2224 8.6425 8.6425 8.6428 8.6428 9.1202 9.1202 9.1404 9.1404 9.2145 9.2145 9.2338 9.2338 10.3325 10.3325 10.3353 10.3353 11.0406 11.0406 11.0409 11.0409 13.8170 13.8179 k = 0.5000 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3756 -47.3756 -45.7042 -45.7042 -45.7042 -45.7042 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9366 -11.9366 -11.5850 -11.5850 -11.5850 -11.5850 -11.5267 -11.5267 -11.5267 -11.5267 2.7427 2.7427 2.7427 2.7427 5.3805 5.3805 5.3805 5.3805 7.8300 7.8300 7.8300 7.8300 7.9049 7.9049 7.9049 7.9049 8.2237 8.2237 8.2238 8.2238 8.6436 8.6436 8.6436 8.6436 9.1367 9.1367 9.1367 9.1367 9.2154 9.2154 9.2154 9.2154 10.3337 10.3337 10.3338 10.3338 11.0405 11.0405 11.0405 11.0405 13.8163 13.8163 k = 0.5000 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3756 -47.3756 -45.7042 -45.7042 -45.7042 -45.7042 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9366 -11.9366 -11.5850 -11.5850 -11.5850 -11.5850 -11.5267 -11.5267 -11.5267 -11.5267 2.7427 2.7427 2.7427 2.7427 5.3805 5.3805 5.3805 5.3805 7.8300 7.8300 7.8300 7.8300 7.9049 7.9049 7.9049 7.9049 8.2237 8.2237 8.2238 8.2238 8.6436 8.6436 8.6436 8.6436 9.1367 9.1367 9.1367 9.1367 9.2154 9.2154 9.2154 9.2154 10.3337 10.3337 10.3338 10.3338 11.0405 11.0405 11.0405 11.0405 13.8163 13.8163 k = 0.4911 0.4911-0.0000 ( 9152 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5622 -45.5622 -45.5621 -45.5621 -30.5934 -30.5934 -30.5933 -30.5933 -11.9366 -11.9366 -11.9365 -11.9365 -11.5859 -11.5859 -11.5840 -11.5840 -11.5276 -11.5276 -11.5258 -11.5258 2.7397 2.7397 2.7429 2.7429 5.3819 5.3819 5.3826 5.3826 7.8276 7.8276 7.8314 7.8314 7.9044 7.9044 7.9049 7.9049 8.2194 8.2194 8.2239 8.2239 8.6402 8.6402 8.6451 8.6451 9.1178 9.1178 9.1433 9.1433 9.2125 9.2125 9.2353 9.2353 10.3324 10.3324 10.3356 10.3356 11.0406 11.0406 11.0410 11.0410 13.8173 13.8176 k = 0.4821 0.4821-0.0000 ( 9158 PWs) bands (ev): -81.6871 -81.6871 -81.6870 -81.6870 -47.3758 -47.3758 -47.3757 -47.3757 -45.7043 -45.7043 -45.7042 -45.7042 -45.5622 -45.5622 -45.5621 -45.5621 -30.5934 -30.5934 -30.5933 -30.5933 -11.9366 -11.9366 -11.9363 -11.9363 -11.5867 -11.5867 -11.5830 -11.5830 -11.5284 -11.5284 -11.5249 -11.5249 2.7305 2.7305 2.7433 2.7433 5.3862 5.3862 5.3885 5.3885 7.8243 7.8243 7.8319 7.8319 7.9032 7.9032 7.9048 7.9048 8.2087 8.2087 8.2253 8.2253 8.6302 8.6302 8.6495 8.6495 9.0911 9.0911 9.1449 9.1449 9.2236 9.2236 9.2665 9.2665 10.3320 10.3320 10.3407 10.3407 11.0412 11.0412 11.0426 11.0426 13.8216 13.8225 k = 0.4732 0.4732-0.0000 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6868 -81.6868 -47.3758 -47.3758 -47.3756 -47.3756 -45.7043 -45.7043 -45.7040 -45.7040 -45.5622 -45.5622 -45.5621 -45.5621 -30.5935 -30.5935 -30.5933 -30.5933 -11.9365 -11.9365 -11.9361 -11.9361 -11.5874 -11.5874 -11.5819 -11.5819 -11.5293 -11.5293 -11.5239 -11.5239 2.7155 2.7155 2.7441 2.7441 5.3936 5.3936 5.3989 5.3989 7.8201 7.8201 7.8316 7.8316 7.9011 7.9011 7.9047 7.9047 8.1914 8.1914 8.2283 8.2283 8.6149 8.6149 8.6564 8.6564 9.0621 9.0621 9.1443 9.1443 9.2442 9.2442 9.3032 9.3032 10.3326 10.3326 10.3507 10.3507 11.0426 11.0426 11.0455 11.0455 13.8282 13.8290 k = 0.4643 0.4643-0.0000 ( 9140 PWs) bands (ev): -81.6870 -81.6870 -81.6866 -81.6866 -47.3758 -47.3758 -47.3755 -47.3755 -45.7044 -45.7044 -45.7038 -45.7038 -45.5622 -45.5622 -45.5621 -45.5621 -30.5936 -30.5936 -30.5933 -30.5933 -11.9364 -11.9364 -11.9357 -11.9357 -11.5880 -11.5880 -11.5807 -11.5807 -11.5301 -11.5301 -11.5229 -11.5229 2.6946 2.6946 2.7451 2.7451 5.4039 5.4039 5.4129 5.4129 7.8153 7.8153 7.8304 7.8304 7.8982 7.8982 7.9046 7.9046 8.1682 8.1682 8.2318 8.2318 8.5957 8.5957 8.6653 8.6653 9.0329 9.0329 9.1437 9.1437 9.2722 9.2722 9.3424 9.3424 10.3330 10.3330 10.3629 10.3629 11.0455 11.0455 11.0493 11.0493 13.8368 13.8375 k = 0.4554 0.4554-0.0000 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6867 -81.6867 -47.3759 -47.3759 -47.3754 -47.3754 -45.7046 -45.7046 -45.7036 -45.7036 -45.5623 -45.5623 -45.5621 -45.5621 -30.5937 -30.5937 -30.5933 -30.5933 -11.9364 -11.9364 -11.9352 -11.9352 -11.5885 -11.5885 -11.5795 -11.5795 -11.5309 -11.5309 -11.5219 -11.5219 2.6683 2.6683 2.7463 2.7463 5.4172 5.4172 5.4304 5.4304 7.8092 7.8092 7.8281 7.8281 7.8935 7.8935 7.9041 7.9041 8.1399 8.1399 8.2357 8.2357 8.5738 8.5738 8.6757 8.6757 9.0047 9.0047 9.1427 9.1427 9.3054 9.3054 9.3834 9.3834 10.3334 10.3334 10.3771 10.3771 11.0503 11.0503 11.0541 11.0541 13.8453 13.8480 k = 0.4464 0.4464-0.0000 ( 9144 PWs) bands (ev): -81.6871 -81.6871 -81.6866 -81.6866 -47.3760 -47.3760 -47.3753 -47.3753 -45.7047 -45.7047 -45.7034 -45.7034 -45.5623 -45.5623 -45.5621 -45.5621 -30.5938 -30.5938 -30.5933 -30.5933 -11.9363 -11.9363 -11.9346 -11.9346 -11.5890 -11.5890 -11.5782 -11.5782 -11.5316 -11.5316 -11.5208 -11.5208 2.6367 2.6367 2.7478 2.7478 5.4334 5.4334 5.4515 5.4515 7.8023 7.8023 7.8248 7.8248 7.8871 7.8871 7.9033 7.9033 8.1067 8.1067 8.2408 8.2408 8.5509 8.5509 8.6872 8.6872 8.9778 8.9778 9.1413 9.1413 9.3436 9.3436 9.4256 9.4256 10.3344 10.3344 10.3938 10.3938 11.0583 11.0583 11.0603 11.0603 13.8482 13.8539 k = 0.4375 0.4375-0.0000 ( 9156 PWs) bands (ev): -81.6873 -81.6873 -81.6867 -81.6867 -47.3762 -47.3762 -47.3751 -47.3751 -45.7050 -45.7050 -45.7031 -45.7031 -45.5625 -45.5625 -45.5621 -45.5621 -30.5940 -30.5940 -30.5933 -30.5933 -11.9362 -11.9362 -11.9340 -11.9340 -11.5893 -11.5893 -11.5768 -11.5768 -11.5324 -11.5324 -11.5197 -11.5197 2.6003 2.6003 2.7494 2.7494 5.4524 5.4524 5.4757 5.4757 7.7941 7.7941 7.8204 7.8204 7.8785 7.8785 7.9016 7.9016 8.0698 8.0698 8.2467 8.2467 8.5280 8.5280 8.6992 8.6992 8.9522 8.9522 9.1398 9.1398 9.3855 9.3855 9.4685 9.4685 10.3347 10.3347 10.4113 10.4113 11.0667 11.0667 11.0712 11.0712 13.8530 13.8571 k = 0.4286 0.4286-0.0000 ( 9147 PWs) bands (ev): -81.6871 -81.6871 -81.6867 -81.6867 -47.3764 -47.3764 -47.3749 -47.3749 -45.7052 -45.7052 -45.7027 -45.7027 -45.5626 -45.5626 -45.5621 -45.5621 -30.5942 -30.5942 -30.5933 -30.5933 -11.9360 -11.9360 -11.9332 -11.9332 -11.5896 -11.5896 -11.5753 -11.5753 -11.5331 -11.5331 -11.5186 -11.5186 2.5594 2.5594 2.7511 2.7511 5.4743 5.4743 5.5030 5.5030 7.7852 7.7852 7.8152 7.8152 7.8684 7.8684 7.8990 7.8990 8.0303 8.0303 8.2537 8.2537 8.5071 8.5071 8.7119 8.7119 8.9292 8.9292 9.1382 9.1382 9.4307 9.4307 9.5125 9.5125 10.3353 10.3353 10.4288 10.4288 11.0748 11.0748 11.0889 11.0889 13.8583 13.8615 k = 0.4196 0.4196-0.0000 ( 9151 PWs) bands (ev): -81.6873 -81.6873 -81.6866 -81.6866 -47.3766 -47.3766 -47.3747 -47.3747 -45.7055 -45.7055 -45.7024 -45.7024 -45.5627 -45.5627 -45.5621 -45.5621 -30.5944 -30.5944 -30.5933 -30.5933 -11.9359 -11.9359 -11.9323 -11.9323 -11.5898 -11.5898 -11.5738 -11.5738 -11.5338 -11.5338 -11.5175 -11.5175 2.5145 2.5145 2.7529 2.7529 5.4991 5.4991 5.5328 5.5328 7.7745 7.7745 7.8087 7.8087 7.8557 7.8557 7.8941 7.8941 7.9893 7.9893 8.2615 8.2615 8.4883 8.4883 8.7247 8.7247 8.9084 8.9084 9.1363 9.1363 9.4783 9.4783 9.5575 9.5575 10.3361 10.3361 10.4445 10.4445 11.0839 11.0839 11.1129 11.1129 13.8559 13.8566 k = 0.4107 0.4107-0.0000 ( 9145 PWs) bands (ev): -81.6873 -81.6873 -81.6864 -81.6864 -47.3767 -47.3767 -47.3745 -47.3745 -45.7058 -45.7058 -45.7019 -45.7019 -45.5627 -45.5627 -45.5621 -45.5621 -30.5947 -30.5947 -30.5933 -30.5933 -11.9357 -11.9357 -11.9313 -11.9313 -11.5898 -11.5898 -11.5723 -11.5723 -11.5345 -11.5345 -11.5163 -11.5163 2.4658 2.4658 2.7548 2.7548 5.5267 5.5267 5.5650 5.5650 7.7621 7.7621 7.8008 7.8008 7.8415 7.8415 7.8828 7.8828 7.9513 7.9513 8.2706 8.2706 8.4730 8.4730 8.7377 8.7377 8.8904 8.8904 9.1338 9.1338 9.5285 9.5285 9.6035 9.6035 10.3373 10.3373 10.4585 10.4585 11.0940 11.0940 11.1440 11.1440 13.8458 13.8464 k = 0.4018 0.4018-0.0000 ( 9141 PWs) bands (ev): -81.6874 -81.6874 -81.6863 -81.6863 -47.3769 -47.3769 -47.3742 -47.3742 -45.7061 -45.7061 -45.7015 -45.7015 -45.5628 -45.5628 -45.5621 -45.5621 -30.5949 -30.5949 -30.5933 -30.5933 -11.9356 -11.9356 -11.9303 -11.9303 -11.5898 -11.5898 -11.5707 -11.5707 -11.5352 -11.5352 -11.5151 -11.5151 2.4138 2.4138 2.7566 2.7566 5.5569 5.5569 5.5991 5.5991 7.7469 7.7469 7.7909 7.7909 7.8263 7.8263 7.8575 7.8575 7.9252 7.9252 8.2806 8.2806 8.4617 8.4617 8.7510 8.7510 8.8748 8.8748 9.1316 9.1316 9.5807 9.5807 9.6502 9.6502 10.3374 10.3374 10.4701 10.4701 11.1051 11.1051 11.1826 11.1826 13.8275 13.8277 k = 0.3929 0.3929-0.0000 ( 9133 PWs) bands (ev): -81.6874 -81.6874 -81.6861 -81.6861 -47.3771 -47.3771 -47.3739 -47.3739 -45.7065 -45.7065 -45.7010 -45.7010 -45.5629 -45.5629 -45.5621 -45.5621 -30.5952 -30.5952 -30.5933 -30.5933 -11.9354 -11.9354 -11.9291 -11.9291 -11.5896 -11.5896 -11.5691 -11.5691 -11.5358 -11.5358 -11.5139 -11.5139 2.3589 2.3589 2.7583 2.7583 5.5901 5.5901 5.6351 5.6351 7.7278 7.7278 7.7782 7.7782 7.8055 7.8055 7.8234 7.8234 7.9122 7.9122 8.2911 8.2911 8.4546 8.4546 8.7643 8.7643 8.8622 8.8622 9.1295 9.1295 9.6346 9.6346 9.6975 9.6975 10.3383 10.3383 10.4799 10.4799 11.1172 11.1172 11.2288 11.2288 13.8021 13.8021 k = 0.3839 0.3839-0.0000 ( 9125 PWs) bands (ev): -81.6875 -81.6875 -81.6858 -81.6858 -47.3773 -47.3773 -47.3736 -47.3736 -45.7069 -45.7069 -45.7005 -45.7005 -45.5630 -45.5630 -45.5621 -45.5621 -30.5955 -30.5955 -30.5933 -30.5933 -11.9352 -11.9352 -11.9278 -11.9278 -11.5894 -11.5894 -11.5674 -11.5674 -11.5364 -11.5364 -11.5127 -11.5127 2.3014 2.3014 2.7598 2.7598 5.6260 5.6260 5.6729 5.6729 7.7035 7.7035 7.7540 7.7540 7.7696 7.7696 7.8081 7.8081 7.9046 7.9046 8.3023 8.3023 8.4519 8.4519 8.7770 8.7770 8.8526 8.8526 9.1270 9.1270 9.6901 9.6901 9.7456 9.7456 10.3395 10.3395 10.4881 10.4881 11.1303 11.1303 11.2823 11.2823 13.7705 13.7705 k = 0.3750 0.3750-0.0000 ( 9121 PWs) bands (ev): -81.6874 -81.6874 -81.6857 -81.6857 -47.3776 -47.3776 -47.3733 -47.3733 -45.7073 -45.7073 -45.6999 -45.6999 -45.5631 -45.5631 -45.5621 -45.5621 -30.5959 -30.5959 -30.5933 -30.5933 -11.9350 -11.9350 -11.9265 -11.9265 -11.5891 -11.5891 -11.5657 -11.5657 -11.5370 -11.5370 -11.5115 -11.5115 2.2418 2.2418 2.7611 2.7611 5.6645 5.6645 5.7119 5.7119 7.6736 7.6736 7.7025 7.7025 7.7513 7.7513 7.7996 7.7996 7.8983 7.8983 8.3143 8.3143 8.4536 8.4536 8.7889 8.7889 8.8463 8.8463 9.1245 9.1245 9.7465 9.7465 9.7940 9.7940 10.3405 10.3405 10.4952 10.4952 11.1444 11.1444 11.3426 11.3426 13.7339 13.7339 k = 0.3661 0.3661-0.0000 ( 9127 PWs) bands (ev): -81.6876 -81.6876 -81.6857 -81.6857 -47.3779 -47.3779 -47.3730 -47.3730 -45.7078 -45.7078 -45.6993 -45.6993 -45.5633 -45.5633 -45.5621 -45.5621 -30.5962 -30.5962 -30.5933 -30.5933 -11.9348 -11.9348 -11.9251 -11.9251 -11.5886 -11.5886 -11.5640 -11.5640 -11.5375 -11.5375 -11.5102 -11.5102 2.1802 2.1802 2.7621 2.7621 5.7057 5.7057 5.7521 5.7521 7.6371 7.6371 7.6470 7.6470 7.7348 7.7348 7.7935 7.7935 7.8919 7.8919 8.3273 8.3273 8.4596 8.4596 8.7991 8.7991 8.8435 8.8435 9.1218 9.1218 9.8039 9.8039 9.8429 9.8429 10.3412 10.3412 10.5015 10.5015 11.1593 11.1593 11.4086 11.4086 13.6936 13.6936 k = 0.3571 0.3571-0.0000 ( 9145 PWs) bands (ev): -81.6880 -81.6880 -81.6858 -81.6858 -47.3783 -47.3783 -47.3728 -47.3728 -45.7083 -45.7083 -45.6988 -45.6988 -45.5635 -45.5635 -45.5621 -45.5621 -30.5966 -30.5966 -30.5933 -30.5933 -11.9345 -11.9345 -11.9236 -11.9236 -11.5881 -11.5881 -11.5623 -11.5623 -11.5380 -11.5380 -11.5090 -11.5090 2.1171 2.1171 2.7627 2.7627 5.7495 5.7495 5.7932 5.7932 7.5830 7.5830 7.6027 7.6027 7.7179 7.7179 7.7888 7.7888 7.8848 7.8848 8.3408 8.3408 8.4686 8.4686 8.8063 8.8063 8.8458 8.8458 9.1191 9.1191 9.8614 9.8614 9.8927 9.8927 10.3418 10.3418 10.5079 10.5079 11.1751 11.1751 11.4796 11.4796 13.6504 13.6504 k = 0.3482 0.3482-0.0000 ( 9143 PWs) bands (ev): -81.6880 -81.6880 -81.6858 -81.6858 -47.3786 -47.3786 -47.3724 -47.3724 -45.7088 -45.7088 -45.6981 -45.6981 -45.5636 -45.5636 -45.5620 -45.5620 -30.5970 -30.5970 -30.5933 -30.5933 -11.9343 -11.9343 -11.9220 -11.9220 -11.5875 -11.5875 -11.5606 -11.5606 -11.5384 -11.5384 -11.5077 -11.5077 2.0528 2.0528 2.7630 2.7630 5.7957 5.7957 5.8352 5.8352 7.5221 7.5221 7.5610 7.5610 7.7007 7.7007 7.7855 7.7855 7.8776 7.8776 8.3552 8.3552 8.4823 8.4823 8.8113 8.8113 8.8536 8.8536 9.1168 9.1168 9.9183 9.9183 9.9447 9.9447 10.3425 10.3425 10.5155 10.5155 11.1919 11.1919 11.5553 11.5553 13.6059 13.6059 k = 0.3393 0.3393-0.0000 ( 9139 PWs) bands (ev): -81.6881 -81.6881 -81.6856 -81.6856 -47.3789 -47.3789 -47.3720 -47.3720 -45.7093 -45.7093 -45.6974 -45.6974 -45.5638 -45.5638 -45.5620 -45.5620 -30.5974 -30.5974 -30.5933 -30.5933 -11.9340 -11.9340 -11.9204 -11.9204 -11.5867 -11.5867 -11.5590 -11.5590 -11.5386 -11.5386 -11.5065 -11.5065 1.9874 1.9874 2.7627 2.7627 5.8445 5.8445 5.8780 5.8780 7.4594 7.4594 7.5176 7.5176 7.6832 7.6832 7.7835 7.7835 7.8697 7.8697 8.3704 8.3704 8.4992 8.4992 8.8153 8.8153 8.8642 8.8642 9.1139 9.1139 9.9736 9.9736 9.9999 9.9999 10.3439 10.3439 10.5248 10.5248 11.2095 11.2095 11.6346 11.6346 13.5605 13.5605 k = 0.3304 0.3304-0.0000 ( 9133 PWs) bands (ev): -81.6882 -81.6882 -81.6854 -81.6854 -47.3793 -47.3793 -47.3716 -47.3716 -45.7099 -45.7099 -45.6967 -45.6967 -45.5639 -45.5639 -45.5620 -45.5620 -30.5978 -30.5978 -30.5933 -30.5933 -11.9338 -11.9338 -11.9186 -11.9186 -11.5859 -11.5859 -11.5574 -11.5574 -11.5388 -11.5388 -11.5052 -11.5052 1.9214 1.9214 2.7619 2.7619 5.8956 5.8956 5.9213 5.9213 7.3955 7.3955 7.4727 7.4727 7.6649 7.6649 7.7826 7.7826 7.8613 7.8613 8.3867 8.3867 8.5190 8.5190 8.8200 8.8200 8.8765 8.8765 9.1113 9.1113 10.0265 10.0265 10.0579 10.0579 10.3452 10.3452 10.5360 10.5360 11.2279 11.2279 11.7164 11.7164 13.5150 13.5150 k = 0.3214 0.3214-0.0000 ( 9133 PWs) bands (ev): -81.6883 -81.6883 -81.6853 -81.6853 -47.3796 -47.3796 -47.3712 -47.3712 -45.7105 -45.7105 -45.6960 -45.6960 -45.5641 -45.5641 -45.5620 -45.5620 -30.5982 -30.5982 -30.5932 -30.5932 -11.9335 -11.9335 -11.9168 -11.9168 -11.5850 -11.5850 -11.5560 -11.5560 -11.5387 -11.5387 -11.5040 -11.5040 1.8549 1.8549 2.7606 2.7606 5.9486 5.9486 5.9652 5.9652 7.3309 7.3309 7.4269 7.4269 7.6461 7.6461 7.7827 7.7827 7.8520 7.8520 8.4031 8.4031 8.5418 8.5418 8.8257 8.8257 8.8892 8.8892 9.1093 9.1093 10.0781 10.0781 10.1179 10.1179 10.3467 10.3467 10.5494 10.5494 11.2470 11.2470 11.7995 11.7995 13.4701 13.4701 k = 0.3125 0.3125-0.0000 ( 9129 PWs) bands (ev): -81.6885 -81.6885 -81.6850 -81.6850 -47.3799 -47.3799 -47.3708 -47.3708 -45.7110 -45.7110 -45.6953 -45.6953 -45.5642 -45.5642 -45.5620 -45.5620 -30.5987 -30.5987 -30.5932 -30.5932 -11.9333 -11.9333 -11.9150 -11.9150 -11.5840 -11.5840 -11.5548 -11.5548 -11.5383 -11.5383 -11.5028 -11.5028 1.7881 1.7881 2.7586 2.7586 6.0014 6.0014 6.0117 6.0117 7.2658 7.2658 7.3806 7.3806 7.6268 7.6268 7.7839 7.7839 7.8429 7.8429 8.4204 8.4204 8.5671 8.5671 8.8325 8.8325 8.9018 8.9018 9.1072 9.1072 10.1292 10.1292 10.1789 10.1789 10.3489 10.3489 10.5659 10.5659 11.2667 11.2667 11.8837 11.8837 13.4260 13.4260 k = 0.3036 0.3036-0.0000 ( 9135 PWs) bands (ev): -81.6888 -81.6888 -81.6849 -81.6849 -47.3803 -47.3803 -47.3705 -47.3705 -45.7116 -45.7116 -45.6946 -45.6946 -45.5644 -45.5644 -45.5620 -45.5620 -30.5991 -30.5991 -30.5932 -30.5932 -11.9330 -11.9330 -11.9131 -11.9131 -11.5830 -11.5830 -11.5539 -11.5539 -11.5377 -11.5377 -11.5016 -11.5016 1.7213 1.7213 2.7560 2.7560 6.0484 6.0484 6.0662 6.0662 7.2005 7.2005 7.3339 7.3339 7.6069 7.6069 7.7847 7.7847 7.8343 7.8343 8.4381 8.4381 8.5945 8.5945 8.8403 8.8403 8.9141 8.9141 9.1051 9.1051 10.1797 10.1797 10.2390 10.2390 10.3521 10.3521 10.5858 10.5858 11.2871 11.2871 11.9678 11.9678 13.3831 13.3831 k = 0.2946 0.2946-0.0000 ( 9139 PWs) bands (ev): -81.6890 -81.6890 -81.6849 -81.6849 -47.3807 -47.3807 -47.3701 -47.3701 -45.7122 -45.7122 -45.6938 -45.6938 -45.5646 -45.5646 -45.5619 -45.5619 -30.5996 -30.5996 -30.5932 -30.5932 -11.9327 -11.9327 -11.9112 -11.9112 -11.5818 -11.5818 -11.5532 -11.5532 -11.5368 -11.5368 -11.5004 -11.5004 1.6548 1.6548 2.7527 2.7527 6.0922 6.0922 6.1257 6.1257 7.1354 7.1354 7.2871 7.2871 7.5867 7.5867 7.7840 7.7840 7.8275 7.8275 8.4560 8.4560 8.6245 8.6245 8.8502 8.8502 8.9262 8.9262 9.1038 9.1038 10.2304 10.2304 10.2945 10.2945 10.3596 10.3596 10.6094 10.6094 11.3079 11.3079 12.0509 12.0509 13.3420 13.3420 k = 0.2857 0.2857-0.0000 ( 9139 PWs) bands (ev): -81.6890 -81.6890 -81.6849 -81.6849 -47.3811 -47.3811 -47.3696 -47.3696 -45.7129 -45.7129 -45.6930 -45.6930 -45.5647 -45.5647 -45.5619 -45.5619 -30.6001 -30.6001 -30.5932 -30.5932 -11.9324 -11.9324 -11.9092 -11.9092 -11.5806 -11.5806 -11.5528 -11.5528 -11.5355 -11.5355 -11.4992 -11.4992 1.5885 1.5885 2.7486 2.7486 6.1350 6.1350 6.1878 6.1878 7.0707 7.0707 7.2407 7.2407 7.5664 7.5664 7.7802 7.7802 7.8249 7.8249 8.4744 8.4744 8.6565 8.6565 8.8619 8.8619 8.9378 8.9378 9.1030 9.1030 10.2811 10.2811 10.3294 10.3294 10.3872 10.3872 10.6370 10.6370 11.3293 11.3293 12.1322 12.1322 13.3027 13.3027 k = 0.2768 0.2768-0.0000 ( 9139 PWs) bands (ev): -81.6892 -81.6892 -81.6846 -81.6846 -47.3815 -47.3815 -47.3692 -47.3692 -45.7135 -45.7135 -45.6922 -45.6922 -45.5649 -45.5649 -45.5619 -45.5619 -30.6005 -30.6005 -30.5932 -30.5932 -11.9322 -11.9322 -11.9072 -11.9072 -11.5793 -11.5793 -11.5526 -11.5526 -11.5340 -11.5340 -11.4981 -11.4981 1.5228 1.5228 2.7439 2.7439 6.1769 6.1769 6.2522 6.2522 7.0068 7.0068 7.1949 7.1949 7.5458 7.5458 7.7723 7.7723 7.8272 7.8272 8.4932 8.4932 8.6898 8.6898 8.8740 8.8740 8.9489 8.9489 9.1026 9.1026 10.3311 10.3311 10.3407 10.3407 10.4396 10.4396 10.6689 10.6689 11.3509 11.3509 12.2107 12.2107 13.2654 13.2654 k = 0.2679 0.2679-0.0000 ( 9139 PWs) bands (ev): -81.6893 -81.6893 -81.6846 -81.6846 -47.3819 -47.3819 -47.3687 -47.3687 -45.7142 -45.7142 -45.6914 -45.6914 -45.5651 -45.5651 -45.5619 -45.5619 -30.6010 -30.6010 -30.5932 -30.5932 -11.9319 -11.9319 -11.9051 -11.9051 -11.5780 -11.5780 -11.5525 -11.5525 -11.5322 -11.5322 -11.4970 -11.4970 1.4579 1.4579 2.7384 2.7384 6.2175 6.2175 6.3184 6.3184 6.9445 6.9445 7.1499 7.1499 7.5251 7.5251 7.7613 7.7613 7.8333 7.8333 8.5122 8.5122 8.7254 8.7254 8.8871 8.8871 8.9598 8.9598 9.1024 9.1024 10.3423 10.3423 10.3836 10.3836 10.4978 10.4978 10.7051 10.7051 11.3728 11.3728 12.2859 12.2859 13.2304 13.2304 k = 0.2589 0.2589-0.0000 ( 9139 PWs) bands (ev): -81.6894 -81.6894 -81.6845 -81.6845 -47.3824 -47.3824 -47.3683 -47.3683 -45.7149 -45.7149 -45.6906 -45.6906 -45.5652 -45.5652 -45.5618 -45.5618 -30.6015 -30.6015 -30.5932 -30.5932 -11.9316 -11.9316 -11.9030 -11.9030 -11.5767 -11.5767 -11.5526 -11.5526 -11.5303 -11.5303 -11.4960 -11.4960 1.3937 1.3937 2.7322 2.7322 6.2565 6.2565 6.3864 6.3864 6.8841 6.8841 7.1058 7.1058 7.5045 7.5045 7.7486 7.7486 7.8421 7.8421 8.5312 8.5312 8.7620 8.7620 8.9007 8.9007 8.9704 8.9704 9.1026 9.1026 10.3435 10.3435 10.4347 10.4347 10.5568 10.5568 10.7458 10.7458 11.3947 11.3947 12.3568 12.3568 13.1978 13.1978 k = 0.2500 0.2500-0.0000 ( 9135 PWs) bands (ev): -81.6895 -81.6895 -81.6843 -81.6843 -47.3827 -47.3827 -47.3678 -47.3678 -45.7155 -45.7155 -45.6898 -45.6898 -45.5654 -45.5654 -45.5618 -45.5618 -30.6020 -30.6020 -30.5932 -30.5932 -11.9313 -11.9313 -11.9009 -11.9009 -11.5753 -11.5753 -11.5528 -11.5528 -11.5283 -11.5283 -11.4949 -11.4949 1.3306 1.3306 2.7253 2.7253 6.2929 6.2929 6.4562 6.4562 6.8265 6.8265 7.0628 7.0628 7.4840 7.4840 7.7345 7.7345 7.8528 7.8528 8.5508 8.5508 8.7999 8.7999 8.9147 8.9147 8.9812 8.9812 9.1034 9.1034 10.3439 10.3439 10.4863 10.4863 10.6149 10.6149 10.7909 10.7909 11.4166 11.4166 12.4225 12.4225 13.1676 13.1676 k = 0.2411 0.2411-0.0000 ( 9131 PWs) bands (ev): -81.6895 -81.6895 -81.6842 -81.6842 -47.3831 -47.3831 -47.3674 -47.3674 -45.7162 -45.7162 -45.6890 -45.6890 -45.5655 -45.5655 -45.5617 -45.5617 -30.6025 -30.6025 -30.5932 -30.5932 -11.9310 -11.9310 -11.8988 -11.8988 -11.5739 -11.5739 -11.5529 -11.5529 -11.5261 -11.5261 -11.4940 -11.4940 1.2686 1.2686 2.7178 2.7178 6.3256 6.3256 6.5274 6.5274 6.7734 6.7734 7.0208 7.0208 7.4637 7.4637 7.7202 7.7202 7.8649 7.8649 8.5697 8.5697 8.8382 8.8382 8.9287 8.9287 8.9931 8.9931 9.1049 9.1049 10.3435 10.3435 10.5380 10.5380 10.6717 10.6717 10.8408 10.8408 11.4383 11.4383 12.4826 12.4826 13.1400 13.1400 k = 0.2321 0.2321-0.0000 ( 9123 PWs) bands (ev): -81.6896 -81.6896 -81.6839 -81.6839 -47.3835 -47.3835 -47.3669 -47.3669 -45.7168 -45.7168 -45.6882 -45.6882 -45.5656 -45.5656 -45.5617 -45.5617 -30.6030 -30.6030 -30.5932 -30.5932 -11.9307 -11.9307 -11.8967 -11.8967 -11.5725 -11.5725 -11.5531 -11.5531 -11.5239 -11.5239 -11.4931 -11.4931 1.2079 1.2079 2.7096 2.7096 6.3521 6.3521 6.5999 6.5999 6.7271 6.7271 6.9803 6.9803 7.4439 7.4439 7.7053 7.7053 7.8785 7.8785 8.5883 8.5883 8.8766 8.8766 8.9424 8.9424 9.0064 9.0064 9.1072 9.1072 10.3427 10.3427 10.5903 10.5903 10.7267 10.7267 10.8949 10.8949 11.4595 11.4595 12.5370 12.5370 13.1151 13.1151 k = 0.2232 0.2232-0.0000 ( 9127 PWs) bands (ev): -81.6898 -81.6898 -81.6838 -81.6838 -47.3839 -47.3839 -47.3665 -47.3665 -45.7175 -45.7175 -45.6874 -45.6874 -45.5657 -45.5657 -45.5616 -45.5616 -30.6035 -30.6035 -30.5932 -30.5932 -11.9305 -11.9305 -11.8946 -11.8946 -11.5712 -11.5712 -11.5533 -11.5533 -11.5216 -11.5216 -11.4922 -11.4922 1.1486 1.1486 2.7008 2.7008 6.3688 6.3688 6.6706 6.6706 6.6941 6.6941 6.9410 6.9410 7.4241 7.4241 7.6894 7.6894 7.8932 7.8932 8.6062 8.6062 8.9134 8.9134 8.9554 8.9554 9.0221 9.0221 9.1104 9.1104 10.3411 10.3411 10.6425 10.6425 10.7795 10.7795 10.9531 10.9531 11.4800 11.4800 12.5850 12.5850 13.0929 13.0929 k = 0.2143 0.2143-0.0000 ( 9131 PWs) bands (ev): -81.6901 -81.6901 -81.6836 -81.6836 -47.3843 -47.3843 -47.3661 -47.3661 -45.7182 -45.7182 -45.6867 -45.6867 -45.5659 -45.5659 -45.5616 -45.5616 -30.6039 -30.6039 -30.5932 -30.5932 -11.9302 -11.9302 -11.8924 -11.8924 -11.5699 -11.5699 -11.5533 -11.5533 -11.5193 -11.5193 -11.4914 -11.4914 1.0907 1.0907 2.6915 2.6915 6.3714 6.3714 6.6678 6.6678 6.7505 6.7505 6.9034 6.9034 7.4048 7.4048 7.6736 7.6736 7.9087 7.9087 8.6237 8.6237 8.9443 8.9443 8.9701 8.9701 9.0413 9.0413 9.1146 9.1146 10.3392 10.3392 10.6950 10.6950 10.8298 10.8298 11.0156 11.0156 11.4998 11.4998 12.6270 12.6270 13.0735 13.0735 k = 0.2054 0.2054-0.0000 ( 9117 PWs) bands (ev): -81.6900 -81.6900 -81.6834 -81.6834 -47.3847 -47.3847 -47.3656 -47.3656 -45.7188 -45.7188 -45.6858 -45.6858 -45.5660 -45.5660 -45.5615 -45.5615 -30.6044 -30.6044 -30.5932 -30.5932 -11.9299 -11.9299 -11.8903 -11.8903 -11.5688 -11.5688 -11.5533 -11.5533 -11.5170 -11.5170 -11.4906 -11.4906 1.0345 1.0345 2.6817 2.6817 6.3575 6.3575 6.6642 6.6642 6.8253 6.8253 6.8679 6.8679 7.3861 7.3861 7.6582 7.6582 7.9257 7.9257 8.6395 8.6395 8.9629 8.9629 8.9937 8.9937 9.0664 9.0664 9.1212 9.1212 10.3363 10.3363 10.7480 10.7480 10.8772 10.8772 11.0821 11.0821 11.5183 11.5183 12.6636 12.6636 13.0572 13.0572 k = 0.1964 0.1964-0.0000 ( 9125 PWs) bands (ev): -81.6902 -81.6902 -81.6834 -81.6834 -47.3851 -47.3851 -47.3652 -47.3652 -45.7195 -45.7195 -45.6851 -45.6851 -45.5661 -45.5661 -45.5615 -45.5615 -30.6049 -30.6049 -30.5932 -30.5932 -11.9297 -11.9297 -11.8883 -11.8883 -11.5677 -11.5677 -11.5531 -11.5531 -11.5147 -11.5147 -11.4899 -11.4899 0.9800 0.9800 2.6715 2.6715 6.3295 6.3295 6.6748 6.6748 6.8312 6.8312 6.9041 6.9041 7.3675 7.3675 7.6420 7.6420 7.9430 7.9430 8.6539 8.6539 8.9725 8.9725 9.0187 9.0187 9.0954 9.0954 9.1312 9.1312 10.3325 10.3325 10.8008 10.8008 10.9214 10.9214 11.1522 11.1522 11.5354 11.5354 12.6947 12.6947 13.0438 13.0438 k = 0.1875 0.1875-0.0000 ( 9133 PWs) bands (ev): -81.6903 -81.6903 -81.6835 -81.6835 -47.3855 -47.3855 -47.3648 -47.3648 -45.7202 -45.7202 -45.6844 -45.6844 -45.5663 -45.5663 -45.5614 -45.5614 -30.6053 -30.6053 -30.5932 -30.5932 -11.9294 -11.9294 -11.8862 -11.8862 -11.5668 -11.5668 -11.5527 -11.5527 -11.5124 -11.5124 -11.4892 -11.4892 0.9273 0.9273 2.6610 2.6610 6.2926 6.2926 6.6950 6.6950 6.7983 6.7983 6.9812 6.9812 7.3497 7.3497 7.6261 7.6261 7.9610 7.9610 8.6665 8.6665 8.9793 8.9793 9.0411 9.0411 9.1222 9.1222 9.1508 9.1508 10.3277 10.3277 10.8540 10.8540 10.9619 10.9619 11.2256 11.2256 11.5507 11.5507 12.7214 12.7214 13.0335 13.0335 k = 0.1786 0.1786-0.0000 ( 9133 PWs) bands (ev): -81.6904 -81.6904 -81.6834 -81.6834 -47.3859 -47.3859 -47.3644 -47.3644 -45.7208 -45.7208 -45.6837 -45.6837 -45.5664 -45.5664 -45.5613 -45.5613 -30.6058 -30.6058 -30.5932 -30.5932 -11.9291 -11.9291 -11.8842 -11.8842 -11.5661 -11.5661 -11.5522 -11.5522 -11.5101 -11.5101 -11.4886 -11.4886 0.8765 0.8765 2.6502 2.6502 6.2511 6.2511 6.7198 6.7198 6.7678 6.7678 7.0590 7.0590 7.3324 7.3324 7.6099 7.6099 7.9795 7.9795 8.6781 8.6781 8.9848 8.9848 9.0613 9.0613 9.1404 9.1404 9.1850 9.1850 10.3222 10.3222 10.9074 10.9074 10.9988 10.9988 11.3022 11.3022 11.5642 11.5642 12.7441 12.7441 13.0266 13.0266 k = 0.1696 0.1696-0.0000 ( 9133 PWs) bands (ev): -81.6906 -81.6906 -81.6832 -81.6832 -47.3863 -47.3863 -47.3641 -47.3641 -45.7214 -45.7214 -45.6830 -45.6830 -45.5665 -45.5665 -45.5613 -45.5613 -30.6062 -30.6062 -30.5931 -30.5931 -11.9289 -11.9289 -11.8822 -11.8822 -11.5656 -11.5656 -11.5514 -11.5514 -11.5079 -11.5079 -11.4880 -11.4880 0.8276 0.8276 2.6392 2.6392 6.2076 6.2076 6.7301 6.7301 6.7564 6.7564 7.1372 7.1372 7.3159 7.3159 7.5941 7.5941 7.9984 7.9984 8.6870 8.6870 8.9888 8.9888 9.0801 9.0801 9.1559 9.1559 9.2255 9.2255 10.3163 10.3163 10.9610 10.9610 11.0318 11.0318 11.3815 11.3815 11.5753 11.5753 12.7635 12.7635 13.0232 13.0232 k = 0.1607 0.1607-0.0000 ( 9137 PWs) bands (ev): -81.6908 -81.6908 -81.6831 -81.6831 -47.3866 -47.3866 -47.3637 -47.3637 -45.7220 -45.7220 -45.6824 -45.6824 -45.5666 -45.5666 -45.5612 -45.5612 -30.6066 -30.6066 -30.5931 -30.5931 -11.9286 -11.9286 -11.8803 -11.8803 -11.5653 -11.5653 -11.5505 -11.5505 -11.5057 -11.5057 -11.4875 -11.4875 0.7808 0.7808 2.6281 2.6281 6.1637 6.1637 6.7051 6.7051 6.7832 6.7832 7.2153 7.2153 7.3001 7.3001 7.5787 7.5787 8.0174 8.0174 8.6937 8.6937 8.9918 8.9918 9.0985 9.0985 9.1725 9.1725 9.2675 9.2675 10.3089 10.3089 11.0145 11.0145 11.0606 11.0606 11.4630 11.4630 11.5840 11.5840 12.7804 12.7804 13.0234 13.0234 k = 0.1518 0.1518-0.0000 ( 9137 PWs) bands (ev): -81.6910 -81.6910 -81.6830 -81.6830 -47.3870 -47.3870 -47.3634 -47.3634 -45.7226 -45.7226 -45.6817 -45.6817 -45.5666 -45.5666 -45.5612 -45.5612 -30.6070 -30.6070 -30.5931 -30.5931 -11.9284 -11.9284 -11.8785 -11.8785 -11.5651 -11.5651 -11.5495 -11.5495 -11.5036 -11.5036 -11.4871 -11.4871 0.7362 0.7362 2.6170 2.6170 6.1205 6.1205 6.6785 6.6785 6.8136 6.8136 7.2828 7.2828 7.2953 7.2953 7.5641 7.5641 8.0366 8.0366 8.6980 8.6980 8.9938 8.9938 9.1171 9.1171 9.1906 9.1906 9.3103 9.3103 10.3003 10.3003 11.0677 11.0677 11.0858 11.0858 11.5456 11.5456 11.5905 11.5905 12.7957 12.7957 13.0275 13.0275 k = 0.1429 0.1429-0.0000 ( 9145 PWs) bands (ev): -81.6911 -81.6911 -81.6831 -81.6831 -47.3874 -47.3874 -47.3630 -47.3630 -45.7232 -45.7232 -45.6811 -45.6811 -45.5668 -45.5668 -45.5611 -45.5611 -30.6074 -30.6074 -30.5931 -30.5931 -11.9282 -11.9282 -11.8767 -11.8767 -11.5651 -11.5651 -11.5483 -11.5483 -11.5015 -11.5015 -11.4867 -11.4867 0.6937 0.6937 2.6060 2.6060 6.0785 6.0785 6.6533 6.6533 6.8443 6.8443 7.2691 7.2691 7.3707 7.3707 7.5495 7.5495 8.0560 8.0560 8.6999 8.6999 8.9948 8.9948 9.1364 9.1364 9.2107 9.2107 9.3529 9.3529 10.2896 10.2896 11.1042 11.1042 11.1231 11.1231 11.5896 11.5896 11.6337 11.6337 12.8098 12.8098 13.0358 13.0358 k = 0.1339 0.1339-0.0000 ( 9147 PWs) bands (ev): -81.6912 -81.6912 -81.6830 -81.6830 -47.3877 -47.3877 -47.3627 -47.3627 -45.7237 -45.7237 -45.6805 -45.6805 -45.5669 -45.5669 -45.5611 -45.5611 -30.6078 -30.6078 -30.5931 -30.5931 -11.9280 -11.9280 -11.8749 -11.8749 -11.5651 -11.5651 -11.5470 -11.5470 -11.4995 -11.4995 -11.4863 -11.4863 0.6535 0.6535 2.5952 2.5952 6.0380 6.0380 6.6296 6.6296 6.8745 6.8745 7.2554 7.2554 7.4459 7.4459 7.5362 7.5362 8.0750 8.0750 8.6996 8.6996 8.9949 8.9949 9.1563 9.1563 9.2326 9.2326 9.3947 9.3947 10.2780 10.2780 11.1213 11.1213 11.1761 11.1761 11.5899 11.5899 11.7180 11.7180 12.8235 12.8235 13.0482 13.0482 k = 0.1250 0.1250-0.0000 ( 9139 PWs) bands (ev): -81.6912 -81.6912 -81.6828 -81.6828 -47.3879 -47.3879 -47.3624 -47.3624 -45.7242 -45.7242 -45.6799 -45.6799 -45.5669 -45.5669 -45.5610 -45.5610 -30.6082 -30.6082 -30.5931 -30.5931 -11.9278 -11.9278 -11.8733 -11.8733 -11.5652 -11.5652 -11.5458 -11.5458 -11.4976 -11.4976 -11.4860 -11.4860 0.6156 0.6156 2.5845 2.5845 5.9995 5.9995 6.6074 6.6074 6.9040 6.9040 7.2425 7.2425 7.5054 7.5054 7.5384 7.5384 8.0939 8.0939 8.6975 8.6975 8.9944 8.9944 9.1766 9.1766 9.2569 9.2569 9.4358 9.4358 10.2651 10.2651 11.1339 11.1339 11.2293 11.2293 11.5862 11.5862 11.8029 11.8029 12.8377 12.8377 13.0649 13.0649 k = 0.1161 0.1161-0.0000 ( 9149 PWs) bands (ev): -81.6914 -81.6914 -81.6829 -81.6829 -47.3883 -47.3883 -47.3621 -47.3621 -45.7247 -45.7247 -45.6794 -45.6794 -45.5670 -45.5670 -45.5610 -45.5610 -30.6085 -30.6085 -30.5931 -30.5931 -11.9276 -11.9276 -11.8717 -11.8717 -11.5654 -11.5654 -11.5445 -11.5445 -11.4957 -11.4957 -11.4858 -11.4858 0.5800 0.5800 2.5742 2.5742 5.9631 5.9631 6.5866 6.5866 6.9320 6.9320 7.2304 7.2304 7.5017 7.5017 7.6019 7.6019 8.1122 8.1122 8.6930 8.6930 8.9931 8.9931 9.1960 9.1960 9.2833 9.2833 9.4752 9.4752 10.2503 10.2503 11.1429 11.1429 11.2822 11.2822 11.5791 11.5791 11.8865 11.8865 12.8530 12.8530 13.0860 13.0860 k = 0.1071 0.1071-0.0000 ( 9151 PWs) bands (ev): -81.6917 -81.6917 -81.6827 -81.6827 -47.3885 -47.3885 -47.3619 -47.3619 -45.7251 -45.7251 -45.6790 -45.6790 -45.5671 -45.5671 -45.5609 -45.5609 -30.6088 -30.6088 -30.5931 -30.5931 -11.9274 -11.9274 -11.8702 -11.8702 -11.5656 -11.5656 -11.5432 -11.5432 -11.4940 -11.4940 -11.4856 -11.4856 0.5469 0.5469 2.5644 2.5644 5.9289 5.9289 6.5675 6.5675 6.9593 6.9593 7.2193 7.2193 7.4889 7.4889 7.6735 7.6735 8.1298 8.1298 8.6865 8.6865 8.9913 8.9913 9.2149 9.2149 9.3122 9.3122 9.5127 9.5127 10.2335 10.2335 11.1485 11.1485 11.3345 11.3345 11.5691 11.5691 11.9682 11.9682 12.8704 12.8704 13.1114 13.1114 k = 0.0982 0.0982-0.0000 ( 9147 PWs) bands (ev): -81.6917 -81.6917 -81.6826 -81.6826 -47.3887 -47.3887 -47.3616 -47.3616 -45.7256 -45.7256 -45.6785 -45.6785 -45.5671 -45.5671 -45.5609 -45.5609 -30.6091 -30.6091 -30.5931 -30.5931 -11.9273 -11.9273 -11.8688 -11.8688 -11.5657 -11.5657 -11.5420 -11.5420 -11.4924 -11.4924 -11.4854 -11.4854 0.5163 0.5163 2.5550 2.5550 5.8971 5.8971 6.5499 6.5499 6.9855 6.9855 7.2091 7.2091 7.4765 7.4765 7.7439 7.7439 8.1469 8.1469 8.6777 8.6777 8.9895 8.9895 9.2327 9.2327 9.3438 9.3438 9.5487 9.5487 10.2143 10.2143 11.1514 11.1514 11.3859 11.3859 11.5564 11.5564 12.0465 12.0465 12.8912 12.8912 13.1410 13.1410 k = 0.0893 0.0893-0.0000 ( 9143 PWs) bands (ev): -81.6919 -81.6919 -81.6822 -81.6822 -47.3889 -47.3889 -47.3614 -47.3614 -45.7259 -45.7259 -45.6781 -45.6781 -45.5671 -45.5671 -45.5609 -45.5609 -30.6094 -30.6094 -30.5931 -30.5931 -11.9271 -11.9271 -11.8676 -11.8676 -11.5659 -11.5659 -11.5408 -11.5408 -11.4909 -11.4909 -11.4852 -11.4852 0.4882 0.4882 2.5461 2.5461 5.8678 5.8678 6.5343 6.5343 7.0103 7.0103 7.1999 7.1999 7.4637 7.4637 7.8120 7.8120 8.1628 8.1628 8.6675 8.6675 8.9874 8.9874 9.2488 9.2488 9.3782 9.3782 9.5820 9.5820 10.1931 10.1931 11.1519 11.1519 11.4359 11.4359 11.5418 11.5418 12.1201 12.1201 12.9161 12.9161 13.1745 13.1745 k = 0.0804 0.0804-0.0000 ( 9137 PWs) bands (ev): -81.6919 -81.6919 -81.6821 -81.6821 -47.3891 -47.3891 -47.3612 -47.3612 -45.7263 -45.7263 -45.6777 -45.6777 -45.5671 -45.5671 -45.5608 -45.5608 -30.6096 -30.6096 -30.5931 -30.5931 -11.9270 -11.9270 -11.8664 -11.8664 -11.5661 -11.5661 -11.5397 -11.5397 -11.4895 -11.4895 -11.4851 -11.4851 0.4626 0.4626 2.5379 2.5379 5.8411 5.8411 6.5199 6.5199 7.0335 7.0335 7.1914 7.1914 7.4517 7.4517 7.8777 7.8777 8.1780 8.1780 8.6557 8.6557 8.9852 8.9852 9.2639 9.2639 9.4151 9.4151 9.6133 9.6133 10.1685 10.1685 11.1504 11.1504 11.4837 11.4837 11.5266 11.5266 12.1874 12.1874 12.9460 12.9460 13.2115 13.2115 k = 0.0714 0.0714-0.0000 ( 9137 PWs) bands (ev): -81.6921 -81.6921 -81.6820 -81.6820 -47.3893 -47.3893 -47.3610 -47.3610 -45.7266 -45.7266 -45.6774 -45.6774 -45.5671 -45.5671 -45.5608 -45.5608 -30.6098 -30.6098 -30.5931 -30.5931 -11.9268 -11.9268 -11.8653 -11.8653 -11.5663 -11.5663 -11.5387 -11.5387 -11.4883 -11.4883 -11.4850 -11.4850 0.4397 0.4397 2.5304 2.5304 5.8170 5.8170 6.5069 6.5069 7.0550 7.0550 7.1844 7.1844 7.4397 7.4397 7.9403 7.9403 8.1920 8.1920 8.6416 8.6416 8.9829 8.9829 9.2771 9.2771 9.4538 9.4538 9.6420 9.6420 10.1421 10.1421 11.1475 11.1475 11.5063 11.5063 11.5334 11.5334 12.2472 12.2472 12.9816 12.9816 13.2516 13.2516 k = 0.0625 0.0625-0.0000 ( 9133 PWs) bands (ev): -81.6920 -81.6920 -81.6820 -81.6820 -47.3894 -47.3894 -47.3608 -47.3608 -45.7269 -45.7269 -45.6770 -45.6770 -45.5672 -45.5672 -45.5607 -45.5607 -30.6100 -30.6100 -30.5931 -30.5931 -11.9267 -11.9267 -11.8644 -11.8644 -11.5665 -11.5665 -11.5377 -11.5377 -11.4872 -11.4872 -11.4849 -11.4849 0.4194 0.4194 2.5236 2.5236 5.7956 5.7956 6.4956 6.4956 7.0746 7.0746 7.1779 7.1779 7.4290 7.4290 7.9995 7.9995 8.2048 8.2048 8.6259 8.6259 8.9809 8.9809 9.2894 9.2894 9.4945 9.4945 9.6678 9.6678 10.1129 10.1129 11.1436 11.1436 11.4906 11.4906 11.5756 11.5756 12.2986 12.2986 13.0232 13.0232 13.2938 13.2938 k = 0.0536 0.0536-0.0000 ( 9135 PWs) bands (ev): -81.6921 -81.6921 -81.6819 -81.6819 -47.3896 -47.3896 -47.3606 -47.3606 -45.7271 -45.7271 -45.6768 -45.6768 -45.5672 -45.5672 -45.5607 -45.5607 -30.6102 -30.6102 -30.5931 -30.5931 -11.9266 -11.9266 -11.8635 -11.8635 -11.5666 -11.5666 -11.5369 -11.5369 -11.4864 -11.4864 -11.4848 -11.4848 0.4017 0.4017 2.5176 2.5176 5.7770 5.7770 6.4858 6.4858 7.0919 7.0919 7.1727 7.1727 7.4190 7.4190 8.0547 8.0547 8.2159 8.2159 8.6090 8.6090 8.9791 8.9791 9.2998 9.2998 9.5365 9.5365 9.6901 9.6901 10.0812 10.0812 11.1392 11.1392 11.4742 11.4742 11.6156 11.6156 12.3413 12.3413 13.0699 13.0699 13.3371 13.3371 k = 0.0446 0.0446-0.0000 ( 9129 PWs) bands (ev): -81.6921 -81.6921 -81.6817 -81.6817 -47.3897 -47.3897 -47.3605 -47.3605 -45.7273 -45.7273 -45.6765 -45.6765 -45.5672 -45.5672 -45.5607 -45.5607 -30.6104 -30.6104 -30.5931 -30.5931 -11.9266 -11.9266 -11.8628 -11.8628 -11.5667 -11.5667 -11.5362 -11.5362 -11.4858 -11.4858 -11.4845 -11.4845 0.3867 0.3867 2.5124 2.5124 5.7612 5.7612 6.4775 6.4775 7.1068 7.1068 7.1691 7.1691 7.4097 7.4097 8.1053 8.1053 8.2258 8.2258 8.5915 8.5915 8.9774 8.9774 9.3087 9.3087 9.5798 9.5798 9.7096 9.7096 10.0476 10.0476 11.1348 11.1348 11.4594 11.4594 11.6516 11.6516 12.3755 12.3755 13.1202 13.1202 13.3802 13.3807 k = 0.0357 0.0357-0.0000 ( 9131 PWs) bands (ev): -81.6921 -81.6921 -81.6818 -81.6818 -47.3898 -47.3898 -47.3604 -47.3604 -45.7275 -45.7275 -45.6763 -45.6763 -45.5672 -45.5672 -45.5607 -45.5607 -30.6105 -30.6105 -30.5931 -30.5931 -11.9265 -11.9265 -11.8622 -11.8622 -11.5668 -11.5668 -11.5356 -11.5356 -11.4855 -11.4855 -11.4841 -11.4841 0.3744 0.3744 2.5082 2.5082 5.7482 5.7482 6.4707 6.4707 7.1186 7.1186 7.1668 7.1668 7.4014 7.4014 8.1504 8.1504 8.2342 8.2342 8.5731 8.5731 8.9759 8.9759 9.3168 9.3168 9.6231 9.6231 9.7258 9.7258 10.0112 10.0112 11.1306 11.1306 11.4460 11.4460 11.6827 11.6827 12.4018 12.4018 13.1713 13.1713 13.3719 13.3719 k = 0.0268 0.0268-0.0000 ( 9127 PWs) bands (ev): -81.6920 -81.6920 -81.6819 -81.6819 -47.3899 -47.3899 -47.3603 -47.3603 -45.7277 -45.7277 -45.6761 -45.6761 -45.5673 -45.5673 -45.5606 -45.5606 -30.6106 -30.6106 -30.5931 -30.5931 -11.9264 -11.9264 -11.8618 -11.8618 -11.5669 -11.5669 -11.5351 -11.5351 -11.4853 -11.4853 -11.4837 -11.4837 0.3648 0.3648 2.5048 2.5048 5.7381 5.7381 6.4653 6.4653 7.1269 7.1269 7.1664 7.1664 7.3951 7.3951 8.1887 8.1887 8.2417 8.2417 8.5553 8.5553 8.9749 8.9749 9.3224 9.3224 9.6660 9.6660 9.7391 9.7391 9.9743 9.9743 11.1270 11.1270 11.4350 11.4350 11.7080 11.7080 12.4210 12.4210 13.2197 13.2197 13.3410 13.3410 k = 0.0179 0.0179-0.0000 ( 9127 PWs) bands (ev): -81.6921 -81.6921 -81.6818 -81.6818 -47.3900 -47.3900 -47.3602 -47.3602 -45.7278 -45.7278 -45.6761 -45.6761 -45.5672 -45.5672 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8614 -11.8614 -11.5670 -11.5670 -11.5348 -11.5348 -11.4853 -11.4853 -11.4833 -11.4833 0.3580 0.3580 2.5024 2.5024 5.7309 5.7309 6.4616 6.4616 7.1321 7.1321 7.1676 7.1676 7.3896 7.3896 8.2172 8.2172 8.2486 8.2486 8.5399 8.5399 8.9738 8.9738 9.3262 9.3262 9.7055 9.7055 9.7491 9.7491 9.9385 9.9385 11.1242 11.1242 11.4270 11.4270 11.7268 11.7268 12.4341 12.4341 13.2608 13.2608 13.3183 13.3183 k = 0.0089 0.0089-0.0000 ( 9131 PWs) bands (ev): -81.6921 -81.6921 -81.6819 -81.6819 -47.3900 -47.3900 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5673 -45.5673 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8612 -11.8612 -11.5670 -11.5670 -11.5345 -11.5345 -11.4852 -11.4852 -11.4831 -11.4831 0.3539 0.3539 2.5009 2.5009 5.7265 5.7265 6.4592 6.4592 7.1344 7.1344 7.1689 7.1689 7.3864 7.3864 8.2329 8.2329 8.2560 8.2560 8.5288 8.5288 8.9733 8.9733 9.3286 9.3286 9.7350 9.7350 9.7582 9.7582 9.9076 9.9076 11.1225 11.1225 11.4219 11.4219 11.7384 11.7384 12.4416 12.4416 13.2884 13.2884 13.3046 13.3046 k = 0.0000 0.0000 0.0000 ( 9123 PWs) bands (ev): -81.6920 -81.6920 -81.6817 -81.6817 -47.3900 -47.3900 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5672 -45.5672 -45.5605 -45.5605 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8612 -11.8612 -11.5670 -11.5670 -11.5345 -11.5345 -11.4852 -11.4852 -11.4831 -11.4831 0.3525 0.3525 2.5005 2.5005 5.7252 5.7252 6.4585 6.4585 7.1353 7.1353 7.1698 7.1698 7.3853 7.3853 8.2372 8.2372 8.2600 8.2600 8.5247 8.5247 8.9733 8.9733 9.3294 9.3294 9.7446 9.7446 9.7654 9.7654 9.8940 9.8940 11.1219 11.1219 11.4202 11.4202 11.7423 11.7423 12.4441 12.4441 13.2960 13.2960 13.3029 13.3029 k = 0.0000 0.0000 0.0000 ( 9123 PWs) bands (ev): -81.6920 -81.6920 -81.6817 -81.6817 -47.3900 -47.3900 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5672 -45.5672 -45.5605 -45.5605 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8612 -11.8612 -11.5670 -11.5670 -11.5345 -11.5345 -11.4852 -11.4852 -11.4831 -11.4831 0.3525 0.3525 2.5005 2.5005 5.7252 5.7252 6.4585 6.4585 7.1353 7.1353 7.1698 7.1698 7.3853 7.3853 8.2372 8.2372 8.2600 8.2600 8.5247 8.5247 8.9733 8.9733 9.3294 9.3294 9.7446 9.7446 9.7654 9.7654 9.8940 9.8940 11.1219 11.1219 11.4202 11.4202 11.7423 11.7423 12.4441 12.4441 13.2960 13.2960 13.3029 13.3029 k = 0.0000 0.0000 0.0122 ( 9143 PWs) bands (ev): -81.6922 -81.6922 -81.6820 -81.6820 -47.3901 -47.3901 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5673 -45.5673 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9264 -11.9264 -11.8612 -11.8612 -11.5670 -11.5670 -11.5345 -11.5345 -11.4853 -11.4853 -11.4831 -11.4831 0.3530 0.3530 2.4995 2.4995 5.7256 5.7256 6.4579 6.4579 7.1351 7.1351 7.1696 7.1696 7.3852 7.3852 8.2368 8.2368 8.2596 8.2596 8.5244 8.5244 8.9746 8.9746 9.3293 9.3293 9.7441 9.7441 9.7649 9.7649 9.8931 9.8931 11.1132 11.1132 11.4124 11.4124 11.7489 11.7489 12.4547 12.4547 13.2955 13.2955 13.3021 13.3021 k = 0.0000 0.0000 0.0244 ( 9143 PWs) bands (ev): -81.6922 -81.6922 -81.6820 -81.6820 -47.3901 -47.3901 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5673 -45.5673 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9263 -11.9263 -11.8612 -11.8612 -11.5669 -11.5669 -11.5345 -11.5345 -11.4853 -11.4853 -11.4831 -11.4831 0.3545 0.3545 2.4965 2.4965 5.7275 5.7275 6.4563 6.4563 7.1352 7.1352 7.1697 7.1697 7.3852 7.3852 8.2367 8.2367 8.2595 8.2595 8.5256 8.5256 8.9797 8.9797 9.3293 9.3293 9.7437 9.7437 9.7645 9.7645 9.8935 9.8935 11.0880 11.0880 11.3921 11.3921 11.7672 11.7672 12.4857 12.4857 13.2948 13.2948 13.3006 13.3006 k = 0.0000 0.0000 0.0366 ( 9151 PWs) bands (ev): -81.6922 -81.6922 -81.6823 -81.6823 -47.3901 -47.3901 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5674 -45.5674 -45.5606 -45.5606 -30.6107 -30.6107 -30.5931 -30.5931 -11.9263 -11.9263 -11.8613 -11.8613 -11.5668 -11.5668 -11.5345 -11.5345 -11.4855 -11.4855 -11.4831 -11.4831 0.3570 0.3570 2.4917 2.4917 5.7306 5.7306 6.4537 6.4537 7.1353 7.1353 7.1698 7.1698 7.3853 7.3853 8.2364 8.2364 8.2591 8.2591 8.5268 8.5268 8.9881 8.9881 9.3293 9.3293 9.7430 9.7430 9.7639 9.7639 9.8934 9.8934 11.0487 11.0487 11.3619 11.3619 11.7935 11.7935 12.5346 12.5346 13.2932 13.2932 13.2977 13.2977 k = 0.0000 0.0000 0.0488 ( 9142 PWs) bands (ev): -81.6920 -81.6920 -81.6823 -81.6823 -47.3901 -47.3901 -47.3601 -47.3601 -45.7279 -45.7279 -45.6760 -45.6760 -45.5674 -45.5674 -45.5605 -45.5605 -30.6107 -30.6107 -30.5931 -30.5931 -11.9262 -11.9262 -11.8614 -11.8614 -11.5667 -11.5667 -11.5345 -11.5345 -11.4857 -11.4857 -11.4831 -11.4831 0.3604 0.3604 2.4850 2.4850 5.7351 5.7351 6.4501 6.4501 7.1357 7.1357 7.1702 7.1702 7.3855 7.3855 8.2365 8.2365 8.2590 8.2590 8.5295 8.5295 9.0001 9.0001 9.3293 9.3293 9.7426 9.7426 9.7636 9.7636 9.8934 9.8934 10.9980 10.9980 11.3264 11.3264 11.8245 11.8245 12.5985 12.5985 13.2911 13.2911 13.2938 13.2938 k = 0.0000 0.0000 0.0610 ( 9146 PWs) bands (ev): -81.6921 -81.6921 -81.6823 -81.6823 -47.3901 -47.3901 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5674 -45.5674 -45.5606 -45.5606 -30.6107 -30.6107 -30.5932 -30.5932 -11.9260 -11.9260 -11.8615 -11.8615 -11.5665 -11.5665 -11.5345 -11.5345 -11.4859 -11.4859 -11.4831 -11.4831 0.3647 0.3647 2.4767 2.4767 5.7405 5.7405 6.4453 6.4453 7.1363 7.1363 7.1708 7.1708 7.3856 7.3856 8.2360 8.2360 8.2584 8.2584 8.5330 8.5330 9.0146 9.0146 9.3292 9.3292 9.7414 9.7414 9.7626 9.7626 9.8934 9.8934 10.9390 10.9390 11.2874 11.2874 11.8580 11.8580 12.6738 12.6738 13.2878 13.2878 13.2884 13.2884 k = 0.0000 0.0000 0.0732 ( 9146 PWs) bands (ev): -81.6921 -81.6921 -81.6823 -81.6823 -47.3901 -47.3901 -47.3602 -47.3602 -45.7279 -45.7279 -45.6760 -45.6760 -45.5674 -45.5674 -45.5606 -45.5606 -30.6107 -30.6107 -30.5932 -30.5932 -11.9259 -11.9259 -11.8616 -11.8616 -11.5662 -11.5662 -11.5345 -11.5345 -11.4862 -11.4862 -11.4831 -11.4831 0.3699 0.3699 2.4668 2.4668 5.7474 5.7474 6.4394 6.4394 7.1369 7.1369 7.1714 7.1714 7.3856 7.3856 8.2355 8.2355 8.2578 8.2578 8.5372 8.5372 9.0327 9.0327 9.3292 9.3292 9.7401 9.7401 9.7614 9.7614 9.8934 9.8934 10.8742 10.8742 11.2465 11.2465 11.8923 11.8923 12.7578 12.7578 13.2817 13.2817 13.2834 13.2834 k = 0.0000 0.0000 0.0854 ( 9150 PWs) bands (ev): -81.6918 -81.6918 -81.6826 -81.6826 -47.3902 -47.3902 -47.3601 -47.3601 -45.7279 -45.7279 -45.6759 -45.6759 -45.5676 -45.5676 -45.5605 -45.5605 -30.6106 -30.6106 -30.5932 -30.5932 -11.9258 -11.9258 -11.8618 -11.8618 -11.5660 -11.5660 -11.5345 -11.5345 -11.4865 -11.4865 -11.4831 -11.4831 0.3758 0.3758 2.4554 2.4554 5.7555 5.7555 6.4323 6.4323 7.1368 7.1368 7.1713 7.1713 7.3858 7.3858 8.2353 8.2353 8.2574 8.2574 8.5414 8.5414 9.0540 9.0540 9.3296 9.3296 9.7391 9.7391 9.7605 9.7605 9.8949 9.8949 10.8055 10.8055 11.2042 11.2042 11.9261 11.9261 12.8480 12.8480 13.2730 13.2730 13.2770 13.2770 k = 0.0000 0.0000 0.0976 ( 9134 PWs) bands (ev): -81.6916 -81.6916 -81.6824 -81.6824 -47.3902 -47.3902 -47.3600 -47.3600 -45.7278 -45.7278 -45.6759 -45.6759 -45.5676 -45.5676 -45.5605 -45.5605 -30.6106 -30.6106 -30.5932 -30.5932 -11.9256 -11.9256 -11.8619 -11.8619 -11.5657 -11.5657 -11.5345 -11.5345 -11.4869 -11.4869 -11.4830 -11.4830 0.3824 0.3824 2.4430 2.4430 5.7649 5.7649 6.4244 6.4244 7.1376 7.1376 7.1721 7.1721 7.3859 7.3859 8.2350 8.2350 8.2568 8.2568 8.5471 8.5471 9.0782 9.0782 9.3303 9.3303 9.7378 9.7378 9.7594 9.7594 9.8954 9.8954 10.7348 10.7348 11.1625 11.1625 11.9596 11.9596 12.9421 12.9421 13.2639 13.2639 13.2700 13.2700 k = 0.0000 0.0000 0.1098 ( 9130 PWs) bands (ev): -81.6915 -81.6915 -81.6824 -81.6824 -47.3902 -47.3902 -47.3600 -47.3600 -45.7278 -45.7278 -45.6758 -45.6758 -45.5676 -45.5676 -45.5605 -45.5605 -30.6106 -30.6106 -30.5932 -30.5932 -11.9254 -11.9254 -11.8621 -11.8621 -11.5654 -11.5654 -11.5345 -11.5345 -11.4872 -11.4872 -11.4830 -11.4830 0.3896 0.3896 2.4295 2.4295 5.7754 5.7754 6.4150 6.4150 7.1384 7.1384 7.1729 7.1729 7.3865 7.3865 8.2343 8.2343 8.2559 8.2559 8.5528 8.5528 9.1056 9.1056 9.3299 9.3299 9.7361 9.7361 9.7579 9.7579 9.8953 9.8953 10.6630 10.6630 11.1212 11.1212 11.9918 11.9918 13.0383 13.0383 13.2537 13.2537 13.2617 13.2617 k = 0.0000 0.0000 0.1220 ( 9134 PWs) bands (ev): -81.6916 -81.6916 -81.6824 -81.6824 -47.3902 -47.3902 -47.3600 -47.3600 -45.7278 -45.7278 -45.6759 -45.6759 -45.5676 -45.5676 -45.5605 -45.5605 -30.6106 -30.6106 -30.5932 -30.5932 -11.9252 -11.9252 -11.8623 -11.8623 -11.5650 -11.5650 -11.5345 -11.5345 -11.4877 -11.4877 -11.4830 -11.4830 0.3971 0.3971 2.4153 2.4153 5.7870 5.7870 6.4044 6.4044 7.1393 7.1393 7.1738 7.1738 7.3865 7.3865 8.2334 8.2334 8.2548 8.2548 8.5589 8.5589 9.1352 9.1352 9.3296 9.3296 9.7341 9.7341 9.7560 9.7560 9.8953 9.8953 10.5909 10.5909 11.0808 11.0808 12.0225 12.0225 13.1344 13.1344 13.2433 13.2433 13.2524 13.2524 k = 0.0000 0.0000 0.1342 ( 9150 PWs) bands (ev): -81.6920 -81.6920 -81.6823 -81.6823 -47.3902 -47.3902 -47.3602 -47.3602 -45.7278 -45.7278 -45.6760 -45.6760 -45.5676 -45.5676 -45.5605 -45.5605 -30.6106 -30.6106 -30.5933 -30.5933 -11.9250 -11.9250 -11.8625 -11.8625 -11.5647 -11.5647 -11.5345 -11.5345 -11.4881 -11.4881 -11.4830 -11.4830 0.4050 0.4050 2.4006 2.4006 5.7998 5.7998 6.3927 6.3927 7.1402 7.1402 7.1747 7.1747 7.3861 7.3861 8.2322 8.2322 8.2535 8.2535 8.5653 8.5653 9.1675 9.1675 9.3274 9.3274 9.7317 9.7317 9.7538 9.7538 9.8952 9.8952 10.5192 10.5192 11.0419 11.0419 12.0514 12.0514 13.2177 13.2177 13.2423 13.2423 13.2442 13.2442 k = 0.0000 0.0000 0.1463 ( 9150 PWs) bands (ev): -81.6920 -81.6920 -81.6823 -81.6823 -47.3901 -47.3901 -47.3602 -47.3602 -45.7278 -45.7278 -45.6760 -45.6760 -45.5676 -45.5676 -45.5605 -45.5605 -30.6106 -30.6106 -30.5933 -30.5933 -11.9248 -11.9248 -11.8627 -11.8627 -11.5643 -11.5643 -11.5345 -11.5345 -11.4885 -11.4885 -11.4830 -11.4830 0.4131 0.4131 2.3857 2.3857 5.8134 5.8134 6.3800 6.3800 7.1412 7.1412 7.1757 7.1757 7.3861 7.3861 8.2315 8.2315 8.2525 8.2525 8.5718 8.5718 9.2021 9.2021 9.3272 9.3272 9.7299 9.7299 9.7521 9.7521 9.8952 9.8952 10.4486 10.4486 11.0047 11.0047 12.0784 12.0784 13.2164 13.2164 13.2318 13.2318 13.3270 13.3270 k = 0.0000 0.0000 0.1585 ( 9146 PWs) bands (ev): -81.6921 -81.6921 -81.6821 -81.6821 -47.3901 -47.3901 -47.3602 -47.3602 -45.7278 -45.7278 -45.6760 -45.6760 -45.5675 -45.5675 -45.5606 -45.5606 -30.6105 -30.6105 -30.5933 -30.5933 -11.9246 -11.9246 -11.8629 -11.8629 -11.5639 -11.5639 -11.5345 -11.5345 -11.4889 -11.4889 -11.4830 -11.4830 0.4211 0.4211 2.3709 2.3709 5.8277 5.8277 6.3661 6.3661 7.1425 7.1425 7.1770 7.1770 7.3862 7.3862 8.2306 8.2306 8.2515 8.2515 8.5786 8.5786 9.2383 9.2383 9.3270 9.3270 9.7281 9.7281 9.7504 9.7504 9.8953 9.8953 10.3791 10.3791 10.9696 10.9696 12.1035 12.1035 13.2056 13.2056 13.2214 13.2214 13.4161 13.4161 k = 0.0000 0.0000 0.1707 ( 9146 PWs) bands (ev): -81.6921 -81.6921 -81.6821 -81.6821 -47.3901 -47.3901 -47.3602 -47.3602 -45.7278 -45.7278 -45.6760 -45.6760 -45.5675 -45.5675 -45.5606 -45.5606 -30.6105 -30.6105 -30.5933 -30.5933 -11.9244 -11.9244 -11.8631 -11.8631 -11.5636 -11.5636 -11.5345 -11.5345 -11.4894 -11.4894 -11.4830 -11.4830 0.4291 0.4291 2.3564 2.3564 5.8428 5.8428 6.3517 6.3517 7.1434 7.1434 7.1779 7.1779 7.3862 7.3862 8.2299 8.2299 8.2505 8.2505 8.5851 8.5851 9.2769 9.2769 9.3268 9.3268 9.7265 9.7265 9.7488 9.7488 9.8951 9.8951 10.3113 10.3113 10.9369 10.9369 12.1263 12.1263 13.1943 13.1943 13.2108 13.2108 13.5007 13.5007 k = 0.0000 0.0000 0.1829 ( 9130 PWs) bands (ev): -81.6917 -81.6917 -81.6821 -81.6821 -47.3901 -47.3901 -47.3601 -47.3601 -45.7278 -45.7278 -45.6759 -45.6759 -45.5675 -45.5675 -45.5604 -45.5604 -30.6105 -30.6105 -30.5933 -30.5933 -11.9242 -11.9242 -11.8633 -11.8633 -11.5632 -11.5632 -11.5345 -11.5345 -11.4898 -11.4898 -11.4830 -11.4830 0.4368 0.4368 2.3425 2.3425 5.8584 5.8584 6.3368 6.3368 7.1441 7.1441 7.1786 7.1786 7.3865 7.3865 8.2298 8.2298 8.2502 8.2502 8.5915 8.5915 9.3176 9.3176 9.3270 9.3270 9.7259 9.7259 9.7481 9.7481 9.8949 9.8949 10.2454 10.2454 10.9068 10.9068 12.1468 12.1468 13.1834 13.1834 13.2006 13.2006 13.5792 13.5792 k = 0.0000 0.0000 0.1951 ( 9142 PWs) bands (ev): -81.6916 -81.6916 -81.6825 -81.6825 -47.3902 -47.3902 -47.3600 -47.3600 -45.7279 -45.7279 -45.6759 -45.6759 -45.5675 -45.5675 -45.5604 -45.5604 -30.6105 -30.6105 -30.5934 -30.5934 -11.9240 -11.9240 -11.8634 -11.8634 -11.5629 -11.5629 -11.5345 -11.5345 -11.4901 -11.4901 -11.4830 -11.4830 0.4441 0.4441 2.3295 2.3295 5.8739 5.8739 6.3215 6.3215 7.1443 7.1443 7.1788 7.1788 7.3870 7.3870 8.2292 8.2292 8.2494 8.2494 8.5972 8.5972 9.3266 9.3266 9.3592 9.3592 9.7248 9.7248 9.7469 9.7469 9.8933 9.8933 10.1814 10.1814 10.8796 10.8796 12.1650 12.1650 13.1731 13.1731 13.1908 13.1908 13.6372 13.6377 k = 0.0000 0.0000 0.2073 ( 9150 PWs) bands (ev): -81.6916 -81.6916 -81.6827 -81.6827 -47.3902 -47.3902 -47.3600 -47.3600 -45.7279 -45.7279 -45.6759 -45.6759 -45.5676 -45.5676 -45.5604 -45.5604 -30.6105 -30.6105 -30.5934 -30.5934 -11.9238 -11.9238 -11.8636 -11.8636 -11.5626 -11.5626 -11.5345 -11.5345 -11.4905 -11.4905 -11.4830 -11.4830 0.4507 0.4507 2.3176 2.3176 5.8894 5.8894 6.3063 6.3063 7.1449 7.1449 7.1794 7.1794 7.3870 7.3870 8.2285 8.2285 8.2486 8.2486 8.6015 8.6015 9.3264 9.3264 9.4017 9.4017 9.7239 9.7239 9.7456 9.7456 9.8926 9.8926 10.1199 10.1199 10.8555 10.8555 12.1798 12.1798 13.1640 13.1640 13.1822 13.1822 13.6488 13.6489 k = 0.0000 0.0000 0.2195 ( 9146 PWs) bands (ev): -81.6915 -81.6915 -81.6827 -81.6827 -47.3902 -47.3902 -47.3600 -47.3600 -45.7279 -45.7279 -45.6759 -45.6759 -45.5676 -45.5676 -45.5604 -45.5604 -30.6105 -30.6105 -30.5934 -30.5934 -11.9237 -11.9237 -11.8637 -11.8637 -11.5624 -11.5624 -11.5345 -11.5345 -11.4908 -11.4908 -11.4830 -11.4830 0.4567 0.4567 2.3071 2.3071 5.9042 5.9042 6.2918 6.2918 7.1456 7.1456 7.1801 7.1801 7.3869 7.3869 8.2281 8.2281 8.2481 8.2481 8.6062 8.6062 9.3264 9.3264 9.4450 9.4450 9.7236 9.7236 9.7447 9.7447 9.8916 9.8916 10.0614 10.0614 10.8347 10.8347 12.1931 12.1931 13.1560 13.1560 13.1746 13.1746 13.6593 13.6594 k = 0.0000 0.0000 0.2317 ( 9142 PWs) bands (ev): -81.6913 -81.6913 -81.6829 -81.6829 -47.3903 -47.3903 -47.3599 -47.3599 -45.7279 -45.7279 -45.6759 -45.6759 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9236 -11.9236 -11.8638 -11.8638 -11.5621 -11.5621 -11.5345 -11.5345 -11.4911 -11.4911 -11.4830 -11.4830 0.4617 0.4617 2.2982 2.2982 5.9178 5.9178 6.2786 6.2786 7.1459 7.1459 7.1804 7.1804 7.3871 7.3871 8.2280 8.2280 8.2478 8.2478 8.6095 8.6095 9.3265 9.3265 9.4880 9.4880 9.7243 9.7243 9.7443 9.7443 9.8894 9.8894 10.0070 10.0070 10.8175 10.8175 12.2034 12.2034 13.1493 13.1493 13.1681 13.1681 13.6681 13.6681 k = 0.0000 0.0000 0.2439 ( 9138 PWs) bands (ev): -81.6913 -81.6913 -81.6828 -81.6828 -47.3903 -47.3903 -47.3599 -47.3599 -45.7279 -45.7279 -45.6759 -45.6759 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9235 -11.9235 -11.8639 -11.8639 -11.5619 -11.5619 -11.5345 -11.5345 -11.4913 -11.4913 -11.4830 -11.4830 0.4658 0.4658 2.2911 2.2911 5.9295 5.9295 6.2670 6.2670 7.1466 7.1466 7.1811 7.1811 7.3871 7.3871 8.2276 8.2276 8.2473 8.2473 8.6128 8.6128 9.3264 9.3264 9.5286 9.5286 9.7256 9.7256 9.7436 9.7436 9.8842 9.8842 9.9597 9.9597 10.8040 10.8040 12.2120 12.2120 13.1440 13.1440 13.1631 13.1631 13.6756 13.6765 k = 0.0000 0.0000 0.2561 ( 9130 PWs) bands (ev): -81.6913 -81.6913 -81.6825 -81.6825 -47.3902 -47.3902 -47.3599 -47.3599 -45.7278 -45.7278 -45.6759 -45.6759 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9234 -11.9234 -11.8640 -11.8640 -11.5618 -11.5618 -11.5345 -11.5345 -11.4914 -11.4914 -11.4830 -11.4830 0.4688 0.4688 2.2859 2.2859 5.9388 5.9388 6.2580 6.2580 7.1471 7.1471 7.1817 7.1817 7.3871 7.3871 8.2273 8.2273 8.2470 8.2470 8.6154 8.6154 9.3263 9.3263 9.5644 9.5644 9.7286 9.7286 9.7430 9.7430 9.8709 9.8709 9.9275 9.9275 10.7942 10.7942 12.2181 12.2181 13.1403 13.1403 13.1595 13.1595 13.6811 13.6815 k = 0.0000 0.0000 0.2683 ( 9130 PWs) bands (ev): -81.6911 -81.6911 -81.6827 -81.6827 -47.3902 -47.3902 -47.3599 -47.3599 -45.7279 -45.7279 -45.6758 -45.6758 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9234 -11.9234 -11.8641 -11.8641 -11.5617 -11.5617 -11.5345 -11.5345 -11.4915 -11.4915 -11.4830 -11.4830 0.4706 0.4706 2.2827 2.2827 5.9442 5.9442 6.2521 6.2521 7.1471 7.1471 7.1816 7.1816 7.3875 7.3875 8.2274 8.2274 8.2470 8.2470 8.6171 8.6171 9.3266 9.3266 9.5904 9.5904 9.7336 9.7336 9.7430 9.7430 9.8485 9.8485 9.9144 9.9144 10.7883 10.7883 12.2221 12.2221 13.1378 13.1378 13.1571 13.1571 13.6842 13.6842 k = 0.0000 0.0000 0.2805 ( 9134 PWs) bands (ev): -81.6912 -81.6912 -81.6827 -81.6827 -47.3902 -47.3902 -47.3599 -47.3599 -45.7279 -45.7279 -45.6758 -45.6758 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9233 -11.9233 -11.8641 -11.8641 -11.5617 -11.5617 -11.5345 -11.5345 -11.4916 -11.4916 -11.4830 -11.4830 0.4712 0.4712 2.2817 2.2817 5.9463 5.9463 6.2500 6.2500 7.1471 7.1471 7.1816 7.1816 7.3875 7.3875 8.2272 8.2272 8.2469 8.2469 8.6176 8.6176 9.3266 9.3266 9.5999 9.5999 9.7364 9.7364 9.7428 9.7428 9.8371 9.8371 9.9115 9.9115 10.7864 10.7864 12.2233 12.2233 13.1371 13.1371 13.1564 13.1564 13.6853 13.6853 k = 0.0000 0.0000 0.2805 ( 9134 PWs) bands (ev): -81.6912 -81.6912 -81.6827 -81.6827 -47.3902 -47.3902 -47.3599 -47.3599 -45.7279 -45.7279 -45.6758 -45.6758 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9233 -11.9233 -11.8641 -11.8641 -11.5617 -11.5617 -11.5345 -11.5345 -11.4916 -11.4916 -11.4830 -11.4830 0.4712 0.4712 2.2817 2.2817 5.9463 5.9463 6.2500 6.2500 7.1471 7.1471 7.1816 7.1816 7.3875 7.3875 8.2272 8.2272 8.2469 8.2469 8.6176 8.6176 9.3266 9.3266 9.5999 9.5999 9.7364 9.7364 9.7428 9.7428 9.8371 9.8371 9.9115 9.9115 10.7864 10.7864 12.2233 12.2233 13.1371 13.1371 13.1564 13.1564 13.6853 13.6855 k = 0.0000 0.0125 0.2805 ( 9130 PWs) bands (ev): -81.6911 -81.6911 -81.6827 -81.6827 -47.3902 -47.3902 -47.3599 -47.3599 -45.7279 -45.7279 -45.6759 -45.6759 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9234 -11.9234 -11.8641 -11.8641 -11.5617 -11.5617 -11.5346 -11.5346 -11.4916 -11.4916 -11.4831 -11.4831 0.4725 0.4725 2.2824 2.2824 5.9469 5.9469 6.2512 6.2512 7.1466 7.1466 7.1810 7.1810 7.3886 7.3886 8.2237 8.2237 8.2435 8.2435 8.6199 8.6199 9.3257 9.3257 9.5993 9.5993 9.7290 9.7290 9.7374 9.7374 9.8418 9.8418 9.9200 9.9200 10.7847 10.7847 12.2272 12.2272 13.1330 13.1330 13.1528 13.1528 13.6829 13.6829 k = 0.0000 0.0250 0.2805 ( 9134 PWs) bands (ev): -81.6911 -81.6911 -81.6828 -81.6828 -47.3902 -47.3902 -47.3600 -47.3600 -45.7278 -45.7278 -45.6759 -45.6759 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9234 -11.9234 -11.8643 -11.8643 -11.5617 -11.5617 -11.5348 -11.5348 -11.4915 -11.4915 -11.4833 -11.4833 0.4763 0.4763 2.2846 2.2846 5.9486 5.9486 6.2542 6.2542 7.1454 7.1454 7.1797 7.1797 7.3916 7.3916 8.2105 8.2105 8.2361 8.2361 8.6259 8.6259 9.3232 9.3232 9.5962 9.5962 9.7062 9.7062 9.7277 9.7277 9.8514 9.8514 9.9434 9.9434 10.7795 10.7795 12.2387 12.2387 13.1181 13.1181 13.1458 13.1458 13.6731 13.6731 k = 0.0000 0.0375 0.2805 ( 9150 PWs) bands (ev): -81.6912 -81.6912 -81.6831 -81.6831 -47.3902 -47.3902 -47.3601 -47.3601 -45.7278 -45.7278 -45.6761 -45.6761 -45.5677 -45.5677 -45.5603 -45.5603 -30.6103 -30.6103 -30.5934 -30.5934 -11.9235 -11.9235 -11.8646 -11.8646 -11.5617 -11.5617 -11.5352 -11.5352 -11.4915 -11.4915 -11.4836 -11.4836 0.4827 0.4827 2.2883 2.2883 5.9511 5.9511 6.2592 6.2592 7.1431 7.1431 7.1773 7.1773 7.3968 7.3968 8.1859 8.1859 8.2277 8.2277 8.6346 8.6346 9.3190 9.3190 9.5900 9.5900 9.6775 9.6775 9.7139 9.7139 9.8625 9.8625 9.9750 9.9750 10.7709 10.7709 12.2577 12.2577 13.0901 13.0901 13.1385 13.1385 13.6546 13.6546 k = 0.0000 0.0500 0.2805 ( 9146 PWs) bands (ev): -81.6911 -81.6911 -81.6831 -81.6831 -47.3902 -47.3902 -47.3601 -47.3601 -45.7277 -45.7277 -45.6762 -45.6762 -45.5677 -45.5677 -45.5603 -45.5603 -30.6102 -30.6102 -30.5934 -30.5934 -11.9235 -11.9235 -11.8651 -11.8651 -11.5616 -11.5616 -11.5357 -11.5357 -11.4915 -11.4915 -11.4840 -11.4840 0.4917 0.4917 2.2934 2.2934 5.9547 5.9547 6.2663 6.2663 7.1400 7.1400 7.1741 7.1741 7.4041 7.4041 8.1518 8.1518 8.2185 8.2185 8.6456 8.6456 9.3139 9.3139 9.5790 9.5790 9.6504 9.6504 9.6964 9.6964 9.8756 9.8756 10.0140 10.0140 10.7590 10.7590 12.2837 12.2837 13.0517 13.0517 13.1310 13.1310 13.6288 13.6288 k = 0.0000 0.0625 0.2805 ( 9146 PWs) bands (ev): -81.6911 -81.6911 -81.6831 -81.6831 -47.3900 -47.3900 -47.3602 -47.3602 -45.7275 -45.7275 -45.6764 -45.6764 -45.5677 -45.5677 -45.5604 -45.5604 -30.6101 -30.6101 -30.5934 -30.5934 -11.9237 -11.9237 -11.8656 -11.8656 -11.5616 -11.5616 -11.5364 -11.5364 -11.4915 -11.4915 -11.4845 -11.4845 0.5032 0.5032 2.2998 2.2998 5.9594 5.9594 6.2752 6.2752 7.1360 7.1360 7.1702 7.1702 7.4128 7.4128 8.1103 8.1103 8.2076 8.2076 8.6572 8.6572 9.3068 9.3068 9.5605 9.5605 9.6271 9.6271 9.6765 9.6765 9.8909 9.8909 10.0563 10.0563 10.7438 10.7438 12.3155 12.3155 13.0050 13.0050 13.1233 13.1233 13.5967 13.5967 k = 0.0000 0.0750 0.2805 ( 9136 PWs) bands (ev): -81.6910 -81.6910 -81.6830 -81.6830 -47.3899 -47.3899 -47.3603 -47.3603 -45.7272 -45.7272 -45.6766 -45.6766 -45.5676 -45.5676 -45.5604 -45.5604 -30.6099 -30.6099 -30.5934 -30.5934 -11.9238 -11.9238 -11.8663 -11.8663 -11.5616 -11.5616 -11.5371 -11.5371 -11.4917 -11.4917 -11.4850 -11.4850 0.5173 0.5173 2.3076 2.3076 5.9649 5.9649 6.2860 6.2860 7.1314 7.1314 7.1663 7.1663 7.4241 7.4241 8.0629 8.0629 8.1949 8.1949 8.6688 8.6688 9.2978 9.2978 9.5350 9.5350 9.6058 9.6058 9.6570 9.6570 9.9086 9.9086 10.1003 10.1003 10.7255 10.7255 12.3529 12.3529 12.9525 12.9525 13.1160 13.1160 13.5588 13.5588 k = 0.0000 0.0875 0.2805 ( 9130 PWs) bands (ev): -81.6911 -81.6911 -81.6828 -81.6828 -47.3896 -47.3896 -47.3605 -47.3605 -45.7269 -45.7269 -45.6769 -45.6769 -45.5676 -45.5676 -45.5604 -45.5604 -30.6098 -30.6098 -30.5934 -30.5934 -11.9239 -11.9239 -11.8671 -11.8671 -11.5616 -11.5616 -11.5379 -11.5379 -11.4920 -11.4920 -11.4854 -11.4854 0.5338 0.5338 2.3167 2.3167 5.9710 5.9710 6.2985 6.2985 7.1258 7.1258 7.1621 7.1621 7.4359 7.4359 8.0109 8.0109 8.1800 8.1800 8.6799 8.6799 9.2869 9.2869 9.5051 9.5051 9.5818 9.5818 9.6407 9.6407 9.9287 9.9287 10.1461 10.1461 10.7043 10.7043 12.3947 12.3947 12.8953 12.8953 13.1099 13.1099 13.5159 13.5159 k = 0.0000 0.1000 0.2805 ( 9126 PWs) bands (ev): -81.6910 -81.6910 -81.6827 -81.6827 -47.3894 -47.3894 -47.3607 -47.3607 -45.7266 -45.7266 -45.6772 -45.6772 -45.5675 -45.5675 -45.5605 -45.5605 -30.6096 -30.6096 -30.5934 -30.5934 -11.9241 -11.9241 -11.8680 -11.8680 -11.5616 -11.5616 -11.5388 -11.5388 -11.4924 -11.4924 -11.4858 -11.4858 0.5529 0.5529 2.3269 2.3269 5.9776 5.9776 6.3126 6.3126 7.1189 7.1189 7.1579 7.1579 7.4497 7.4497 7.9551 7.9551 8.1634 8.1634 8.6899 8.6899 9.2751 9.2751 9.4731 9.4731 9.5530 9.5530 9.6284 9.6284 9.9509 9.9509 10.1922 10.1922 10.6804 10.6804 12.4399 12.4399 12.8348 12.8348 13.1056 13.1056 13.4686 13.4686 k = 0.0000 0.1125 0.2805 ( 9130 PWs) bands (ev): -81.6910 -81.6910 -81.6828 -81.6828 -47.3893 -47.3893 -47.3609 -47.3609 -45.7262 -45.7262 -45.6775 -45.6775 -45.5675 -45.5675 -45.5606 -45.5606 -30.6094 -30.6094 -30.5934 -30.5934 -11.9243 -11.9243 -11.8691 -11.8691 -11.5617 -11.5617 -11.5397 -11.5397 -11.4932 -11.4932 -11.4861 -11.4861 0.5744 0.5744 2.3382 2.3382 5.9843 5.9843 6.3283 6.3283 7.1110 7.1110 7.1540 7.1540 7.4643 7.4643 7.8965 7.8965 8.1451 8.1451 8.6985 8.6985 9.2611 9.2611 9.4399 9.4399 9.5204 9.5204 9.6181 9.6181 9.9753 9.9753 10.2382 10.2382 10.6543 10.6543 12.4875 12.4875 12.7723 12.7723 13.1039 13.1039 13.4176 13.4176 k = 0.0000 0.1250 0.2805 ( 9138 PWs) bands (ev): -81.6912 -81.6912 -81.6829 -81.6829 -47.3890 -47.3890 -47.3612 -47.3612 -45.7259 -45.7259 -45.6779 -45.6779 -45.5674 -45.5674 -45.5607 -45.5607 -30.6091 -30.6091 -30.5934 -30.5934 -11.9245 -11.9245 -11.8702 -11.8702 -11.5619 -11.5619 -11.5406 -11.5406 -11.4941 -11.4941 -11.4862 -11.4862 0.5983 0.5983 2.3504 2.3504 5.9911 5.9911 6.3453 6.3453 7.1020 7.1020 7.1505 7.1505 7.4803 7.4803 7.8360 7.8360 8.1250 8.1250 8.7056 8.7056 9.2453 9.2453 9.4061 9.4061 9.4850 9.4850 9.6084 9.6084 10.0015 10.0015 10.2844 10.2844 10.6264 10.6264 12.5365 12.5365 12.7087 12.7087 13.1053 13.1053 13.3635 13.3635 k = 0.0000 0.1375 0.2805 ( 9134 PWs) bands (ev): -81.6912 -81.6912 -81.6827 -81.6827 -47.3888 -47.3888 -47.3615 -47.3615 -45.7254 -45.7254 -45.6784 -45.6784 -45.5673 -45.5673 -45.5608 -45.5608 -30.6089 -30.6089 -30.5934 -30.5934 -11.9248 -11.9248 -11.8715 -11.8715 -11.5621 -11.5621 -11.5415 -11.5415 -11.4952 -11.4952 -11.4863 -11.4863 0.6247 0.6247 2.3635 2.3635 5.9977 5.9977 6.3635 6.3635 7.0922 7.0922 7.1479 7.1479 7.4975 7.4975 7.7746 7.7746 8.1036 8.1036 8.7119 8.7119 9.2280 9.2280 9.3726 9.3726 9.4487 9.4487 9.5981 9.5981 10.0296 10.0296 10.3308 10.3308 10.5973 10.5973 12.5846 12.5846 12.6465 12.6465 13.1101 13.1101 13.3074 13.3074 k = 0.0000 0.1500 0.2805 ( 9142 PWs) bands (ev): -81.6912 -81.6912 -81.6829 -81.6829 -47.3885 -47.3885 -47.3617 -47.3617 -45.7250 -45.7250 -45.6789 -45.6789 -45.5673 -45.5673 -45.5608 -45.5608 -30.6086 -30.6086 -30.5934 -30.5934 -11.9251 -11.9251 -11.8728 -11.8728 -11.5624 -11.5624 -11.5424 -11.5424 -11.4965 -11.4965 -11.4862 -11.4862 0.6534 0.6534 2.3773 2.3773 6.0036 6.0036 6.3825 6.3825 7.0814 7.0814 7.1456 7.1456 7.5153 7.5153 7.7133 7.7133 8.0809 8.0809 8.7164 8.7164 9.2089 9.2089 9.3388 9.3388 9.4118 9.4118 9.5865 9.5865 10.0593 10.0593 10.3766 10.3766 10.5677 10.5677 12.5746 12.5746 12.6415 12.6415 13.1176 13.1176 13.2505 13.2505 k = 0.0000 0.1625 0.2805 ( 9150 PWs) bands (ev): -81.6913 -81.6913 -81.6831 -81.6831 -47.3883 -47.3883 -47.3621 -47.3621 -45.7246 -45.7246 -45.6794 -45.6794 -45.5672 -45.5672 -45.5609 -45.5609 -30.6083 -30.6083 -30.5935 -30.5935 -11.9253 -11.9253 -11.8743 -11.8743 -11.5628 -11.5628 -11.5432 -11.5432 -11.4979 -11.4979 -11.4862 -11.4862 0.6845 0.6845 2.3916 2.3916 6.0084 6.0084 6.4020 6.4020 7.0703 7.0703 7.1438 7.1438 7.5332 7.5332 7.6535 7.6535 8.0567 8.0567 8.7198 8.7198 9.1887 9.1887 9.3046 9.3046 9.3749 9.3749 9.5731 9.5731 10.0905 10.0905 10.4217 10.4217 10.5385 10.5385 12.5120 12.5120 12.6878 12.6878 13.1226 13.1226 13.1990 13.1990 k = 0.0000 0.1750 0.2805 ( 9156 PWs) bands (ev): -81.6914 -81.6914 -81.6830 -81.6830 -47.3880 -47.3880 -47.3624 -47.3624 -45.7241 -45.7241 -45.6800 -45.6800 -45.5671 -45.5671 -45.5611 -45.5611 -30.6080 -30.6080 -30.5935 -30.5935 -11.9256 -11.9256 -11.8758 -11.8758 -11.5633 -11.5633 -11.5440 -11.5440 -11.4993 -11.4993 -11.4861 -11.4861 0.7179 0.7179 2.4063 2.4063 6.0122 6.0122 6.4216 6.4216 7.0590 7.0590 7.1427 7.1427 7.5470 7.5470 7.6005 7.6005 8.0317 8.0317 8.7220 8.7220 9.1667 9.1667 9.2709 9.2709 9.3378 9.3378 9.5575 9.5575 10.1231 10.1231 10.4658 10.4658 10.5112 10.5112 12.4484 12.4484 12.7328 12.7328 13.0989 13.0989 13.1795 13.1795 k = 0.0000 0.1875 0.2805 ( 9168 PWs) bands (ev): -81.6914 -81.6914 -81.6833 -81.6833 -47.3877 -47.3877 -47.3628 -47.3628 -45.7236 -45.7236 -45.6806 -45.6806 -45.5671 -45.5671 -45.5612 -45.5612 -30.6077 -30.6077 -30.5935 -30.5935 -11.9259 -11.9259 -11.8775 -11.8775 -11.5639 -11.5639 -11.5447 -11.5447 -11.5007 -11.5007 -11.4861 -11.4861 0.7536 0.7536 2.4211 2.4211 6.0138 6.0138 6.4408 6.4408 7.0476 7.0476 7.1422 7.1422 7.5247 7.5247 7.5871 7.5871 8.0058 8.0058 8.7230 8.7230 9.1433 9.1433 9.2371 9.2371 9.3017 9.3017 9.5391 9.5391 10.1569 10.1569 10.4790 10.4790 10.5154 10.5154 12.3852 12.3852 12.7734 12.7734 13.0437 13.0437 13.1947 13.1947 k = 0.0000 0.2000 0.2805 ( 9164 PWs) bands (ev): -81.6913 -81.6913 -81.6833 -81.6833 -47.3873 -47.3873 -47.3631 -47.3631 -45.7230 -45.7230 -45.6812 -45.6812 -45.5670 -45.5670 -45.5612 -45.5612 -30.6073 -30.6073 -30.5935 -30.5935 -11.9263 -11.9263 -11.8792 -11.8792 -11.5647 -11.5647 -11.5453 -11.5453 -11.5022 -11.5022 -11.4861 -11.4861 0.7914 0.7914 2.4359 2.4359 6.0134 6.0134 6.4589 6.4589 7.0373 7.0373 7.1423 7.1423 7.4761 7.4761 7.6047 7.6047 7.9794 7.9794 8.7235 8.7235 9.1190 9.1190 9.2039 9.2039 9.2664 9.2664 9.5181 9.5181 10.1919 10.1919 10.4563 10.4563 10.5577 10.5577 12.3231 12.3231 12.8068 12.8068 12.9809 12.9809 13.2218 13.2218 k = 0.0000 0.2125 0.2805 ( 9168 PWs) bands (ev): -81.6912 -81.6912 -81.6835 -81.6835 -47.3870 -47.3870 -47.3635 -47.3635 -45.7224 -45.7224 -45.6818 -45.6818 -45.5669 -45.5669 -45.5613 -45.5613 -30.6069 -30.6069 -30.5936 -30.5936 -11.9266 -11.9266 -11.8810 -11.8810 -11.5655 -11.5655 -11.5460 -11.5460 -11.5035 -11.5035 -11.4861 -11.4861 0.8314 0.8314 2.4503 2.4503 6.0101 6.0101 6.4751 6.4751 7.0284 7.0284 7.1431 7.1431 7.4284 7.4284 7.6264 7.6264 7.9524 7.9524 8.7225 8.7225 9.0937 9.0937 9.1706 9.1706 9.2317 9.2317 9.4942 9.4942 10.2278 10.2278 10.4350 10.4350 10.6005 10.6005 12.2621 12.2621 12.8297 12.8297 12.9156 12.9156 13.2552 13.2552 k = 0.0000 0.2250 0.2805 ( 9172 PWs) bands (ev): -81.6909 -81.6909 -81.6839 -81.6839 -47.3867 -47.3867 -47.3638 -47.3638 -45.7219 -45.7219 -45.6824 -45.6824 -45.5669 -45.5669 -45.5614 -45.5614 -30.6066 -30.6066 -30.5936 -30.5936 -11.9269 -11.9269 -11.8829 -11.8829 -11.5663 -11.5663 -11.5466 -11.5466 -11.5048 -11.5048 -11.4861 -11.4861 0.8735 0.8735 2.4642 2.4642 6.0037 6.0037 6.4884 6.4884 7.0217 7.0217 7.1446 7.1446 7.3853 7.3853 7.6499 7.6499 7.9251 7.9251 8.7207 8.7207 9.0675 9.0675 9.1372 9.1372 9.1978 9.1978 9.4672 9.4672 10.2645 10.2645 10.4171 10.4171 10.6423 10.6423 12.2024 12.2024 12.8376 12.8376 12.8494 12.8494 13.2939 13.2939 k = 0.0000 0.2375 0.2805 ( 9162 PWs) bands (ev): -81.6907 -81.6907 -81.6839 -81.6839 -47.3863 -47.3863 -47.3642 -47.3642 -45.7212 -45.7212 -45.6831 -45.6831 -45.5668 -45.5668 -45.5615 -45.5615 -30.6062 -30.6062 -30.5937 -30.5937 -11.9272 -11.9272 -11.8848 -11.8848 -11.5673 -11.5673 -11.5472 -11.5472 -11.5060 -11.5060 -11.4862 -11.4862 0.9177 0.9177 2.4773 2.4773 5.9944 5.9944 6.4979 6.4979 7.0187 7.0187 7.1467 7.1467 7.3480 7.3480 7.6741 7.6741 7.8976 7.8976 8.7186 8.7186 9.0399 9.0399 9.1042 9.1042 9.1649 9.1649 9.4374 9.4374 10.3021 10.3021 10.4033 10.4033 10.6836 10.6836 12.1442 12.1442 12.7821 12.7821 12.8277 12.8277 13.3375 13.3375 k = 0.0000 0.2500 0.2805 ( 9160 PWs) bands (ev): -81.6907 -81.6907 -81.6839 -81.6839 -47.3858 -47.3858 -47.3646 -47.3646 -45.7204 -45.7204 -45.6838 -45.6838 -45.5667 -45.5667 -45.5616 -45.5616 -30.6058 -30.6058 -30.5937 -30.5937 -11.9275 -11.9275 -11.8868 -11.8868 -11.5682 -11.5682 -11.5479 -11.5479 -11.5070 -11.5070 -11.4863 -11.4863 0.9637 0.9637 2.4892 2.4892 5.9816 5.9816 6.5025 6.5025 7.0195 7.0195 7.1496 7.1496 7.3173 7.3173 7.6991 7.6991 7.8701 7.8701 8.7153 8.7153 9.0117 9.0117 9.0711 9.0711 9.1324 9.1324 9.4048 9.4048 10.3395 10.3395 10.3940 10.3940 10.7235 10.7235 12.0876 12.0876 12.7150 12.7150 12.7966 12.7966 13.3854 13.3854 k = 0.0000 0.2625 0.2805 ( 9154 PWs) bands (ev): -81.6904 -81.6904 -81.6840 -81.6840 -47.3854 -47.3854 -47.3650 -47.3650 -45.7197 -45.7197 -45.6845 -45.6845 -45.5666 -45.5666 -45.5617 -45.5617 -30.6053 -30.6053 -30.5938 -30.5938 -11.9279 -11.9279 -11.8888 -11.8888 -11.5692 -11.5692 -11.5487 -11.5487 -11.5079 -11.5079 -11.4865 -11.4865 1.0117 1.0117 2.4996 2.4996 5.9655 5.9655 6.5015 6.5015 7.0254 7.0254 7.1531 7.1531 7.2935 7.2935 7.7244 7.7244 7.8429 7.8429 8.7112 8.7112 8.9827 8.9827 9.0379 9.0379 9.1007 9.1007 9.3702 9.3702 10.3715 10.3715 10.3951 10.3951 10.7617 10.7617 12.0325 12.0325 12.6478 12.6478 12.7452 12.7452 13.4374 13.4374 k = 0.0000 0.2750 0.2805 ( 9142 PWs) bands (ev): -81.6902 -81.6902 -81.6838 -81.6838 -47.3849 -47.3849 -47.3655 -47.3655 -45.7189 -45.7189 -45.6853 -45.6853 -45.5664 -45.5664 -45.5618 -45.5618 -30.6049 -30.6049 -30.5939 -30.5939 -11.9281 -11.9281 -11.8908 -11.8908 -11.5701 -11.5701 -11.5496 -11.5496 -11.5086 -11.5086 -11.4867 -11.4867 1.0614 1.0614 2.5084 2.5084 5.9467 5.9467 6.4946 6.4946 7.0365 7.0365 7.1571 7.1571 7.2763 7.2763 7.7482 7.7482 7.8180 7.8180 8.7069 8.7069 8.9532 8.9532 9.0052 9.0052 9.0698 9.0698 9.3335 9.3335 10.3798 10.3798 10.4248 10.4248 10.7993 10.7993 11.9791 11.9791 12.5809 12.5809 12.6768 12.6768 13.4931 13.4931 k = 0.0000 0.2875 0.2805 ( 9148 PWs) bands (ev): -81.6902 -81.6902 -81.6840 -81.6840 -47.3844 -47.3844 -47.3660 -47.3660 -45.7181 -45.7181 -45.6862 -45.6862 -45.5663 -45.5663 -45.5619 -45.5619 -30.6045 -30.6045 -30.5940 -30.5940 -11.9284 -11.9284 -11.8929 -11.8929 -11.5710 -11.5710 -11.5505 -11.5505 -11.5091 -11.5091 -11.4870 -11.4870 1.1128 1.1128 2.5150 2.5150 5.9256 5.9256 6.4816 6.4816 7.0525 7.0525 7.1615 7.1615 7.2656 7.2656 7.7616 7.7616 7.8036 7.8036 8.7014 8.7014 8.9232 8.9232 8.9719 8.9719 9.0392 9.0392 9.2955 9.2955 10.3830 10.3830 10.4637 10.4637 10.8345 10.8345 11.9272 11.9272 12.5143 12.5143 12.5959 12.5959 13.5521 13.5521 k = 0.0000 0.3000 0.2805 ( 9156 PWs) bands (ev): -81.6901 -81.6901 -81.6843 -81.6843 -47.3840 -47.3840 -47.3664 -47.3664 -45.7174 -45.7174 -45.6870 -45.6870 -45.5663 -45.5663 -45.5620 -45.5620 -30.6041 -30.6041 -30.5941 -30.5941 -11.9287 -11.9287 -11.8950 -11.8950 -11.5718 -11.5718 -11.5516 -11.5516 -11.5095 -11.5095 -11.4873 -11.4873 1.1657 1.1657 2.5192 2.5192 5.9028 5.9028 6.4625 6.4625 7.0727 7.0727 7.1670 7.1670 7.2610 7.2610 7.7475 7.7475 7.8179 7.8179 8.6956 8.6956 8.8930 8.8930 8.9388 8.9388 9.0097 9.0097 9.2561 9.2561 10.3887 10.3887 10.5039 10.5039 10.8686 10.8686 11.8771 11.8771 12.4478 12.4478 12.5070 12.5070 13.6136 13.6136 k = 0.0000 0.3125 0.2805 ( 9158 PWs) bands (ev): -81.6898 -81.6898 -81.6846 -81.6846 -47.3836 -47.3836 -47.3669 -47.3669 -45.7166 -45.7166 -45.6878 -45.6878 -45.5662 -45.5662 -45.5621 -45.5621 -30.6036 -30.6036 -30.5942 -30.5942 -11.9289 -11.9289 -11.8971 -11.8971 -11.5726 -11.5726 -11.5528 -11.5528 -11.5096 -11.5096 -11.4877 -11.4877 1.2202 1.2202 2.5206 2.5206 5.8794 5.8794 6.4384 6.4384 7.0970 7.0970 7.1734 7.1734 7.2619 7.2619 7.7229 7.7229 7.8440 7.8440 8.6889 8.6889 8.8630 8.8630 8.9060 8.9060 8.9809 8.9809 9.2165 9.2165 10.3980 10.3980 10.5446 10.5446 10.9012 10.9012 11.8287 11.8287 12.3820 12.3820 12.4136 12.4136 13.6775 13.6779 k = 0.0000 0.3250 0.2805 ( 9166 PWs) bands (ev): -81.6898 -81.6898 -81.6849 -81.6849 -47.3831 -47.3831 -47.3674 -47.3674 -45.7158 -45.7158 -45.6887 -45.6887 -45.5661 -45.5661 -45.5623 -45.5623 -30.6032 -30.6032 -30.5943 -30.5943 -11.9290 -11.9290 -11.8992 -11.8992 -11.5733 -11.5733 -11.5540 -11.5540 -11.5096 -11.5096 -11.4881 -11.4881 1.2760 1.2760 2.5190 2.5190 5.8561 5.8561 6.4098 6.4098 7.1242 7.1242 7.1809 7.1809 7.2678 7.2678 7.6963 7.6963 7.8725 7.8725 8.6814 8.6814 8.8329 8.8329 8.8732 8.8732 8.9530 8.9530 9.1770 9.1770 10.4105 10.4105 10.5854 10.5854 10.9321 10.9321 11.7821 11.7821 12.3166 12.3166 12.3187 12.3187 13.7357 13.7374 k = 0.0000 0.3375 0.2805 ( 9172 PWs) bands (ev): -81.6896 -81.6896 -81.6852 -81.6852 -47.3827 -47.3827 -47.3679 -47.3679 -45.7149 -45.7149 -45.6896 -45.6896 -45.5660 -45.5660 -45.5624 -45.5624 -30.6028 -30.6028 -30.5945 -30.5945 -11.9291 -11.9291 -11.9013 -11.9013 -11.5739 -11.5739 -11.5553 -11.5553 -11.5093 -11.5093 -11.4886 -11.4886 1.3330 1.3330 2.5140 2.5140 5.8338 5.8338 6.3774 6.3774 7.1532 7.1532 7.1898 7.1898 7.2778 7.2778 7.6698 7.6698 7.9021 7.9021 8.6731 8.6731 8.8030 8.8030 8.8411 8.8411 8.9263 8.9263 9.1376 9.1376 10.4263 10.4263 10.6262 10.6262 10.9622 10.9622 11.7372 11.7372 12.2230 12.2230 12.2527 12.2527 13.7581 13.8108 k = 0.0000 0.3500 0.2805 ( 9172 PWs) bands (ev): -81.6896 -81.6896 -81.6852 -81.6852 -47.3821 -47.3821 -47.3685 -47.3685 -45.7140 -45.7140 -45.6905 -45.6905 -45.5659 -45.5659 -45.5626 -45.5626 -30.6023 -30.6023 -30.5946 -30.5946 -11.9292 -11.9292 -11.9034 -11.9034 -11.5744 -11.5744 -11.5567 -11.5567 -11.5090 -11.5090 -11.4891 -11.4891 1.3911 1.3911 2.5054 2.5054 5.8136 5.8136 6.3420 6.3420 7.1812 7.1812 7.2020 7.2020 7.2913 7.2913 7.6437 7.6437 7.9328 7.9328 8.6641 8.6641 8.7736 8.7736 8.8100 8.8100 8.9010 8.9010 9.0989 9.0989 10.4449 10.4449 10.6667 10.6667 10.9911 10.9911 11.6941 11.6941 12.1291 12.1291 12.1894 12.1894 13.7908 13.7910 k = 0.0000 0.3625 0.2805 ( 9176 PWs) bands (ev): -81.6894 -81.6894 -81.6855 -81.6855 -47.3816 -47.3816 -47.3690 -47.3690 -45.7131 -45.7131 -45.6914 -45.6914 -45.5657 -45.5657 -45.5627 -45.5627 -30.6019 -30.6019 -30.5948 -30.5948 -11.9292 -11.9292 -11.9054 -11.9054 -11.5749 -11.5749 -11.5582 -11.5582 -11.5085 -11.5085 -11.4897 -11.4897 1.4502 1.4502 2.4929 2.4929 5.7959 5.7959 6.3042 6.3042 7.2011 7.2011 7.2243 7.2243 7.3074 7.3074 7.6177 7.6177 7.9642 7.9642 8.6533 8.6533 8.7445 8.7445 8.7796 8.7796 8.8772 8.8772 9.0614 9.0614 10.4667 10.4667 10.7064 10.7064 11.0187 11.0187 11.6527 11.6527 12.0380 12.0380 12.1271 12.1271 13.8290 13.8290 k = 0.0000 0.3750 0.2805 ( 9170 PWs) bands (ev): -81.6891 -81.6891 -81.6856 -81.6856 -47.3811 -47.3811 -47.3695 -47.3695 -45.7122 -45.7122 -45.6924 -45.6924 -45.5656 -45.5656 -45.5628 -45.5628 -30.6015 -30.6015 -30.5950 -30.5950 -11.9291 -11.9291 -11.9074 -11.9074 -11.5752 -11.5752 -11.5596 -11.5596 -11.5079 -11.5079 -11.4903 -11.4903 1.5099 1.5099 2.4765 2.4765 5.7816 5.7816 6.2647 6.2647 7.2141 7.2141 7.2545 7.2545 7.3257 7.3257 7.5924 7.5924 7.9962 7.9962 8.6400 8.6400 8.7172 8.7172 8.7509 8.7509 8.8555 8.8555 9.0258 9.0258 10.4914 10.4914 10.7451 10.7451 11.0454 11.0454 11.6130 11.6130 11.9506 11.9506 12.0661 12.0661 13.8702 13.8702 k = 0.0000 0.3875 0.2805 ( 9178 PWs) bands (ev): -81.6891 -81.6891 -81.6858 -81.6858 -47.3805 -47.3805 -47.3701 -47.3701 -45.7113 -45.7113 -45.6933 -45.6933 -45.5655 -45.5655 -45.5630 -45.5630 -30.6010 -30.6010 -30.5951 -30.5951 -11.9289 -11.9289 -11.9094 -11.9094 -11.5754 -11.5754 -11.5611 -11.5611 -11.5072 -11.5072 -11.4910 -11.4910 1.5703 1.5703 2.4560 2.4560 5.7710 5.7710 6.2237 6.2237 7.2260 7.2260 7.2857 7.2857 7.3451 7.3451 7.5678 7.5678 8.0284 8.0284 8.6227 8.6227 8.6922 8.6922 8.7235 8.7235 8.8358 8.8358 8.9914 8.9914 10.5186 10.5186 10.7819 10.7819 11.0713 11.0713 11.5748 11.5748 11.8682 11.8682 12.0062 12.0062 13.9138 13.9138 k = 0.0000 0.4000 0.2805 ( 9170 PWs) bands (ev): -81.6887 -81.6887 -81.6860 -81.6860 -47.3800 -47.3800 -47.3706 -47.3706 -45.7104 -45.7104 -45.6943 -45.6943 -45.5653 -45.5653 -45.5631 -45.5631 -30.6006 -30.6006 -30.5954 -30.5954 -11.9287 -11.9287 -11.9112 -11.9112 -11.5755 -11.5755 -11.5625 -11.5625 -11.5064 -11.5064 -11.4917 -11.4917 1.6310 1.6310 2.4313 2.4313 5.7647 5.7647 6.1819 6.1819 7.2385 7.2385 7.3161 7.3161 7.3648 7.3648 7.5440 7.5440 8.0617 8.0617 8.6006 8.6006 8.6714 8.6714 8.6988 8.6988 8.8194 8.8194 8.9596 8.9596 10.5484 10.5484 10.8160 10.8160 11.0966 11.0966 11.5383 11.5383 11.7918 11.7918 11.9480 11.9480 13.9593 13.9593 k = 0.0000 0.4125 0.2805 ( 9172 PWs) bands (ev): -81.6885 -81.6885 -81.6862 -81.6862 -47.3794 -47.3794 -47.3712 -47.3712 -45.7094 -45.7094 -45.6953 -45.6953 -45.5652 -45.5652 -45.5632 -45.5632 -30.6002 -30.6002 -30.5956 -30.5956 -11.9284 -11.9284 -11.9130 -11.9130 -11.5754 -11.5754 -11.5639 -11.5639 -11.5056 -11.5056 -11.4925 -11.4925 1.6918 1.6918 2.4025 2.4025 5.7629 5.7629 6.1399 6.1399 7.2514 7.2514 7.3448 7.3448 7.3844 7.3844 7.5214 7.5214 8.0949 8.0949 8.5736 8.5736 8.6539 8.6539 8.6756 8.6756 8.8055 8.8055 8.9299 8.9299 10.5805 10.5805 10.8464 10.8464 11.1216 11.1216 11.5033 11.5033 11.7229 11.7229 11.8913 11.8913 14.0061 14.0061 k = 0.0000 0.4250 0.2805 ( 9166 PWs) bands (ev): -81.6882 -81.6882 -81.6864 -81.6864 -47.3789 -47.3789 -47.3717 -47.3717 -45.7084 -45.7084 -45.6962 -45.6962 -45.5651 -45.5651 -45.5633 -45.5633 -30.5998 -30.5998 -30.5958 -30.5958 -11.9279 -11.9279 -11.9148 -11.9148 -11.5753 -11.5753 -11.5653 -11.5653 -11.5047 -11.5047 -11.4933 -11.4933 1.7526 1.7526 2.3697 2.3697 5.7657 5.7657 6.0980 6.0980 7.2651 7.2651 7.3704 7.3704 7.4030 7.4030 7.5004 7.5004 8.1288 8.1288 8.5433 8.5433 8.6391 8.6391 8.6556 8.6556 8.7948 8.7948 8.9029 8.9029 10.6147 10.6147 10.8714 10.8714 11.1461 11.1461 11.4698 11.4698 11.6632 11.6632 11.8367 11.8367 14.0533 14.0533 k = 0.0000 0.4375 0.2805 ( 9166 PWs) bands (ev): -81.6881 -81.6881 -81.6865 -81.6865 -47.3783 -47.3783 -47.3723 -47.3723 -45.7074 -45.7074 -45.6972 -45.6972 -45.5649 -45.5649 -45.5635 -45.5635 -30.5994 -30.5994 -30.5961 -30.5961 -11.9274 -11.9274 -11.9164 -11.9164 -11.5750 -11.5750 -11.5666 -11.5666 -11.5038 -11.5038 -11.4942 -11.4942 1.8130 1.8130 2.3330 2.3330 5.7731 5.7731 6.0567 6.0567 7.2792 7.2792 7.3914 7.3914 7.4200 7.4200 7.4820 7.4820 8.1628 8.1628 8.5109 8.5109 8.6262 8.6262 8.6376 8.6376 8.7872 8.7872 8.8783 8.8783 10.6506 10.6506 10.8892 10.8892 11.1705 11.1705 11.4376 11.4376 11.6148 11.6148 11.7843 11.7843 14.0997 14.0997 k = 0.0000 0.4500 0.2805 ( 9160 PWs) bands (ev): -81.6880 -81.6880 -81.6864 -81.6864 -47.3776 -47.3776 -47.3729 -47.3729 -45.7064 -45.7064 -45.6982 -45.6982 -45.5647 -45.5647 -45.5636 -45.5636 -30.5990 -30.5990 -30.5963 -30.5963 -11.9268 -11.9268 -11.9180 -11.9180 -11.5747 -11.5747 -11.5679 -11.5679 -11.5028 -11.5028 -11.4951 -11.4951 1.8728 1.8728 2.2927 2.2927 5.7852 5.7852 6.0165 6.0165 7.2944 7.2944 7.4043 7.4043 7.4349 7.4349 7.4693 7.4693 8.1977 8.1977 8.4773 8.4773 8.6152 8.6152 8.6220 8.6220 8.7829 8.7829 8.8566 8.8566 10.6880 10.6880 10.8981 10.8981 11.1948 11.1948 11.4070 11.4070 11.5796 11.5796 11.7347 11.7347 14.1441 14.1441 k = 0.0000 0.4625 0.2805 ( 9164 PWs) bands (ev): -81.6878 -81.6878 -81.6867 -81.6867 -47.3771 -47.3771 -47.3735 -47.3735 -45.7054 -45.7054 -45.6992 -45.6992 -45.5646 -45.5646 -45.5638 -45.5638 -30.5986 -30.5986 -30.5966 -30.5966 -11.9261 -11.9261 -11.9195 -11.9195 -11.5742 -11.5742 -11.5690 -11.5690 -11.5018 -11.5018 -11.4960 -11.4960 1.9317 1.9317 2.2489 2.2489 5.8017 5.8017 5.9778 5.9778 7.3099 7.3099 7.4036 7.4036 7.4479 7.4479 7.4657 7.4657 8.2323 8.2323 8.4426 8.4426 8.6058 8.6058 8.6100 8.6100 8.7816 8.7816 8.8375 8.8375 10.7261 10.7261 10.8966 10.8966 11.2191 11.2191 11.3774 11.3774 11.5588 11.5588 11.6885 11.6885 14.1849 14.1850 k = 0.0000 0.4750 0.2805 ( 9158 PWs) bands (ev): -81.6877 -81.6877 -81.6866 -81.6866 -47.3764 -47.3764 -47.3741 -47.3741 -45.7043 -45.7043 -45.7003 -45.7003 -45.5644 -45.5644 -45.5639 -45.5639 -30.5983 -30.5983 -30.5969 -30.5969 -11.9252 -11.9252 -11.9208 -11.9208 -11.5736 -11.5736 -11.5701 -11.5701 -11.5008 -11.5008 -11.4969 -11.4969 1.9895 1.9895 2.2021 2.2021 5.8224 5.8224 5.9412 5.9412 7.3260 7.3260 7.3924 7.3924 7.4587 7.4587 7.4683 7.4683 8.2670 8.2670 8.4081 8.4081 8.5995 8.5995 8.6011 8.6011 8.7839 8.7839 8.8214 8.8214 10.7639 10.7639 10.8846 10.8846 11.2441 11.2441 11.3489 11.3489 11.5531 11.5531 11.6466 11.6466 14.2207 14.2234 k = 0.0000 0.4875 0.2805 ( 9152 PWs) bands (ev): -81.6874 -81.6874 -81.6868 -81.6868 -47.3758 -47.3758 -47.3747 -47.3747 -45.7033 -45.7033 -45.7013 -45.7013 -45.5643 -45.5643 -45.5640 -45.5640 -30.5979 -30.5979 -30.5972 -30.5972 -11.9243 -11.9243 -11.9221 -11.9221 -11.5729 -11.5729 -11.5711 -11.5711 -11.4998 -11.4998 -11.4979 -11.4979 2.0457 2.0457 2.1524 2.1524 5.8471 5.8471 5.9069 5.9069 7.3428 7.3428 7.3768 7.3768 7.4664 7.4664 7.4708 7.4708 8.3023 8.3023 8.3731 8.3731 8.5951 8.5951 8.5959 8.5959 8.7889 8.7889 8.8081 8.8081 10.8007 10.8007 10.8632 10.8632 11.2693 11.2693 11.3216 11.3216 11.5612 11.5612 11.6102 11.6102 14.2497 14.2539 k = 0.0000 0.5000 0.2805 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5721 -11.5721 -11.5721 -11.5721 -11.4989 -11.4989 -11.4989 -11.4989 2.1001 2.1001 2.1001 2.1001 5.8754 5.8754 5.8754 5.8754 7.3599 7.3599 7.3599 7.3599 7.4705 7.4705 7.4705 7.4705 8.3377 8.3377 8.3377 8.3377 8.5935 8.5935 8.5936 8.5936 8.7971 8.7971 8.7971 8.7971 10.8345 10.8345 10.8345 10.8345 11.2951 11.2951 11.2951 11.2951 11.5811 11.5811 11.5811 11.5811 14.2703 14.2703 k = 0.0000 0.5000 0.2805 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5721 -11.5721 -11.5721 -11.5721 -11.4989 -11.4989 -11.4989 -11.4989 2.1001 2.1001 2.1001 2.1001 5.8754 5.8754 5.8754 5.8754 7.3599 7.3599 7.3599 7.3599 7.4705 7.4705 7.4705 7.4705 8.3377 8.3377 8.3377 8.3377 8.5935 8.5935 8.5936 8.5936 8.7971 8.7971 8.7971 8.7971 10.8345 10.8345 10.8345 10.8345 11.2951 11.2951 11.2951 11.2951 11.5811 11.5811 11.5811 11.5811 14.2703 14.2703 k = 0.0125 0.5000 0.2805 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9233 -11.9233 -11.9232 -11.9232 -11.5729 -11.5729 -11.5713 -11.5713 -11.4997 -11.4997 -11.4982 -11.4982 2.1008 2.1008 2.1011 2.1011 5.8751 5.8751 5.8754 5.8754 7.3577 7.3577 7.3621 7.3621 7.4681 7.4681 7.4745 7.4745 8.3353 8.3353 8.3371 8.3371 8.5947 8.5947 8.5961 8.5961 8.7969 8.7969 8.7984 8.7984 10.8274 10.8274 10.8339 10.8339 11.2905 11.2905 11.2966 11.2966 11.5809 11.5809 11.5829 11.5829 14.2649 14.2662 k = 0.0250 0.5000 0.2805 ( 9156 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3753 -47.3753 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5975 -30.5975 -30.5975 -30.5975 -11.9234 -11.9234 -11.9232 -11.9232 -11.5737 -11.5737 -11.5705 -11.5705 -11.5006 -11.5006 -11.4976 -11.4976 2.1031 2.1031 2.1036 2.1036 5.8744 5.8744 5.8750 5.8750 7.3552 7.3552 7.3635 7.3635 7.4671 7.4671 7.4795 7.4795 8.3291 8.3291 8.3328 8.3328 8.5986 8.5986 8.6014 8.6014 8.7968 8.7968 8.8000 8.8000 10.8125 10.8125 10.8250 10.8250 11.2829 11.2829 11.2947 11.2947 11.5820 11.5820 11.5861 11.5861 14.2511 14.2527 k = 0.0375 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5975 -30.5975 -30.5975 -30.5975 -11.9235 -11.9235 -11.9232 -11.9232 -11.5745 -11.5745 -11.5698 -11.5698 -11.5017 -11.5017 -11.4972 -11.4972 2.1071 2.1071 2.1078 2.1078 5.8734 5.8734 5.8742 5.8742 7.3531 7.3531 7.3648 7.3648 7.4677 7.4677 7.4856 7.4856 8.3209 8.3209 8.3263 8.3263 8.6059 8.6059 8.6100 8.6100 8.7976 8.7976 8.8025 8.8025 10.7906 10.7906 10.8084 10.8084 11.2731 11.2731 11.2897 11.2897 11.5840 11.5840 11.5902 11.5902 14.2274 14.2292 k = 0.0500 0.5000 0.2805 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5975 -30.5975 -30.5975 -30.5975 -11.9236 -11.9236 -11.9233 -11.9233 -11.5753 -11.5753 -11.5690 -11.5690 -11.5029 -11.5029 -11.4969 -11.4969 2.1127 2.1127 2.1137 2.1137 5.8719 5.8719 5.8731 5.8731 7.3512 7.3512 7.3658 7.3658 7.4701 7.4701 7.4930 7.4930 8.3104 8.3104 8.3173 8.3173 8.6152 8.6152 8.6206 8.6206 8.7988 8.7988 8.8054 8.8054 10.7626 10.7626 10.7848 10.7848 11.2610 11.2610 11.2814 11.2814 11.5863 11.5863 11.5946 11.5946 14.1964 14.1979 k = 0.0625 0.5000 0.2805 ( 9156 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5641 -45.5641 -45.5641 -45.5641 -30.5974 -30.5974 -30.5974 -30.5974 -11.9237 -11.9237 -11.9234 -11.9234 -11.5761 -11.5761 -11.5683 -11.5683 -11.5042 -11.5042 -11.4967 -11.4967 2.1199 2.1199 2.1211 2.1211 5.8699 5.8699 5.8714 5.8714 7.3493 7.3493 7.3662 7.3662 7.4738 7.4738 7.5010 7.5010 8.2979 8.2979 8.3063 8.3063 8.6256 8.6256 8.6324 8.6324 8.8003 8.8003 8.8090 8.8090 10.7287 10.7287 10.7545 10.7545 11.2466 11.2466 11.2699 11.2699 11.5879 11.5879 11.5983 11.5983 14.1599 14.1600 k = 0.0750 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3753 -47.3753 -47.3752 -47.3752 -45.7024 -45.7024 -45.7024 -45.7024 -45.5641 -45.5641 -45.5640 -45.5640 -30.5973 -30.5973 -30.5973 -30.5973 -11.9239 -11.9239 -11.9235 -11.9235 -11.5770 -11.5770 -11.5677 -11.5677 -11.5057 -11.5057 -11.4967 -11.4967 2.1287 2.1287 2.1301 2.1301 5.8674 5.8674 5.8692 5.8692 7.3484 7.3484 7.3668 7.3668 7.4792 7.4792 7.5101 7.5101 8.2849 8.2849 8.2947 8.2947 8.6373 8.6373 8.6455 8.6455 8.8026 8.8026 8.8135 8.8135 10.6904 10.6904 10.7188 10.7188 11.2308 11.2308 11.2561 11.2561 11.5884 11.5884 11.6007 11.6007 14.1194 14.1211 k = 0.0875 0.5000 0.2805 ( 9176 PWs) bands (ev): -81.6874 -81.6874 -81.6874 -81.6874 -47.3754 -47.3754 -47.3754 -47.3754 -45.7025 -45.7025 -45.7025 -45.7025 -45.5641 -45.5641 -45.5641 -45.5641 -30.5973 -30.5973 -30.5973 -30.5973 -11.9241 -11.9241 -11.9236 -11.9236 -11.5778 -11.5778 -11.5670 -11.5670 -11.5072 -11.5072 -11.4967 -11.4967 2.1389 2.1389 2.1406 2.1406 5.8642 5.8642 5.8662 5.8662 7.3475 7.3475 7.3669 7.3669 7.4854 7.4854 7.5195 7.5195 8.2702 8.2702 8.2813 8.2813 8.6490 8.6490 8.6588 8.6588 8.8046 8.8046 8.8181 8.8181 10.6477 10.6477 10.6780 10.6780 11.2126 11.2126 11.2392 11.2392 11.5868 11.5868 11.6008 11.6008 14.0795 14.0801 k = 0.1000 0.5000 0.2805 ( 9176 PWs) bands (ev): -81.6874 -81.6874 -81.6874 -81.6874 -47.3754 -47.3754 -47.3754 -47.3754 -45.7026 -45.7026 -45.7025 -45.7025 -45.5640 -45.5640 -45.5640 -45.5640 -30.5972 -30.5972 -30.5972 -30.5972 -11.9243 -11.9243 -11.9237 -11.9237 -11.5787 -11.5787 -11.5664 -11.5664 -11.5088 -11.5088 -11.4969 -11.4969 2.1508 2.1508 2.1526 2.1526 5.8602 5.8602 5.8626 5.8626 7.3477 7.3477 7.3676 7.3676 7.4934 7.4934 7.5302 7.5302 8.2557 8.2557 8.2682 8.2682 8.6608 8.6608 8.6726 8.6726 8.8076 8.8076 8.8238 8.8238 10.6023 10.6023 10.6338 10.6338 11.1930 11.1930 11.2204 11.2204 11.5832 11.5832 11.5987 11.5987 14.0416 14.0435 k = 0.1125 0.5000 0.2805 ( 9168 PWs) bands (ev): -81.6873 -81.6873 -81.6873 -81.6873 -47.3754 -47.3754 -47.3753 -47.3753 -45.7026 -45.7026 -45.7025 -45.7025 -45.5640 -45.5640 -45.5640 -45.5640 -30.5971 -30.5971 -30.5971 -30.5971 -11.9245 -11.9245 -11.9239 -11.9239 -11.5795 -11.5795 -11.5658 -11.5658 -11.5105 -11.5105 -11.4972 -11.4972 2.1641 2.1641 2.1662 2.1662 5.8555 5.8555 5.8582 5.8582 7.3489 7.3489 7.3688 7.3688 7.5027 7.5027 7.5417 7.5417 8.2416 8.2416 8.2554 8.2554 8.6721 8.6721 8.6861 8.6861 8.8111 8.8111 8.8305 8.8305 10.5545 10.5545 10.5869 10.5869 11.1716 11.1716 11.1994 11.1994 11.5770 11.5770 11.5936 11.5936 14.0075 14.0093 k = 0.1250 0.5000 0.2805 ( 9156 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3753 -47.3753 -47.3753 -47.3753 -45.7026 -45.7026 -45.7026 -45.7026 -45.5639 -45.5639 -45.5639 -45.5639 -30.5969 -30.5969 -30.5969 -30.5969 -11.9248 -11.9248 -11.9241 -11.9241 -11.5804 -11.5804 -11.5652 -11.5652 -11.5123 -11.5123 -11.4976 -11.4976 2.1789 2.1789 2.1811 2.1811 5.8497 5.8497 5.8528 5.8528 7.3512 7.3512 7.3708 7.3708 7.5128 7.5128 7.5537 7.5537 8.2276 8.2276 8.2428 8.2428 8.6828 8.6828 8.6991 8.6991 8.8153 8.8153 8.8381 8.8381 10.5049 10.5049 10.5377 10.5377 11.1485 11.1485 11.1765 11.1765 11.5682 11.5682 11.5856 11.5856 13.9773 13.9816 k = 0.1375 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3753 -47.3753 -47.3753 -47.3753 -45.7026 -45.7026 -45.7026 -45.7026 -45.5638 -45.5638 -45.5638 -45.5638 -30.5968 -30.5968 -30.5968 -30.5968 -11.9251 -11.9251 -11.9244 -11.9244 -11.5812 -11.5812 -11.5647 -11.5647 -11.5141 -11.5141 -11.4981 -11.4981 2.1950 2.1950 2.1975 2.1975 5.8429 5.8429 5.8464 5.8464 7.3546 7.3546 7.3735 7.3735 7.5239 7.5239 7.5665 7.5665 8.2138 8.2138 8.2304 8.2304 8.6918 8.6918 8.7106 8.7106 8.8201 8.8201 8.8466 8.8466 10.4541 10.4541 10.4872 10.4872 11.1235 11.1235 11.1515 11.1515 11.5565 11.5565 11.5745 11.5745 13.9530 13.9564 k = 0.1500 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3753 -47.3753 -47.3753 -47.3753 -45.7027 -45.7027 -45.7027 -45.7027 -45.5638 -45.5638 -45.5637 -45.5637 -30.5967 -30.5967 -30.5967 -30.5967 -11.9254 -11.9254 -11.9246 -11.9246 -11.5820 -11.5820 -11.5642 -11.5642 -11.5160 -11.5160 -11.4987 -11.4987 2.2125 2.2125 2.2151 2.2151 5.8349 5.8349 5.8387 5.8387 7.3589 7.3589 7.3770 7.3770 7.5355 7.5355 7.5795 7.5795 8.2006 8.2006 8.2186 8.2186 8.6994 8.6994 8.7205 8.7205 8.8258 8.8258 8.8557 8.8557 10.4024 10.4024 10.4356 10.4356 11.0964 11.0964 11.1243 11.1243 11.5420 11.5420 11.5602 11.5602 13.9346 13.9373 k = 0.1625 0.5000 0.2805 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3753 -47.3753 -47.3753 -47.3753 -45.7028 -45.7028 -45.7027 -45.7027 -45.5637 -45.5637 -45.5636 -45.5636 -30.5966 -30.5966 -30.5966 -30.5966 -11.9257 -11.9257 -11.9249 -11.9249 -11.5828 -11.5828 -11.5638 -11.5638 -11.5178 -11.5178 -11.4994 -11.4994 2.2313 2.2313 2.2341 2.2341 5.8256 5.8256 5.8298 5.8298 7.3646 7.3646 7.3816 7.3816 7.5480 7.5480 7.5932 7.5932 8.1879 8.1879 8.2074 8.2074 8.7053 8.7053 8.7284 8.7284 8.8326 8.8326 8.8658 8.8658 10.3505 10.3505 10.3837 10.3837 11.0674 11.0674 11.0951 11.0951 11.5251 11.5251 11.5432 11.5432 13.9226 13.9240 k = 0.1750 0.5000 0.2805 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3754 -47.3754 -47.3753 -47.3753 -45.7028 -45.7028 -45.7028 -45.7028 -45.5636 -45.5636 -45.5636 -45.5636 -30.5964 -30.5964 -30.5964 -30.5964 -11.9261 -11.9261 -11.9253 -11.9253 -11.5836 -11.5836 -11.5634 -11.5634 -11.5197 -11.5197 -11.5001 -11.5001 2.2512 2.2512 2.2542 2.2542 5.8149 5.8149 5.8195 5.8195 7.3718 7.3718 7.3875 7.3875 7.5609 7.5609 7.6071 7.6071 8.1760 8.1760 8.1970 8.1970 8.7089 8.7089 8.7335 8.7335 8.8408 8.8408 8.8766 8.8766 10.2985 10.2985 10.3317 10.3317 11.0369 11.0369 11.0644 11.0644 11.5061 11.5061 11.5239 11.5239 13.9156 13.9182 k = 0.1875 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3754 -47.3754 -47.3754 -47.3754 -45.7029 -45.7029 -45.7029 -45.7029 -45.5635 -45.5635 -45.5635 -45.5635 -30.5963 -30.5963 -30.5963 -30.5963 -11.9265 -11.9265 -11.9256 -11.9256 -11.5844 -11.5844 -11.5631 -11.5631 -11.5216 -11.5216 -11.5009 -11.5009 2.2723 2.2723 2.2754 2.2754 5.8029 5.8029 5.8077 5.8077 7.3804 7.3804 7.3946 7.3946 7.5740 7.5740 7.6210 7.6210 8.1650 8.1650 8.1874 8.1874 8.7109 8.7109 8.7362 8.7362 8.8503 8.8503 8.8881 8.8881 10.2467 10.2467 10.2799 10.2799 11.0045 11.0045 11.0318 11.0318 11.4852 11.4852 11.5026 11.5026 13.9146 13.9177 k = 0.2000 0.5000 0.2805 ( 9140 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3754 -47.3754 -47.3754 -47.3754 -45.7030 -45.7030 -45.7029 -45.7029 -45.5634 -45.5634 -45.5634 -45.5634 -30.5961 -30.5961 -30.5961 -30.5961 -11.9269 -11.9269 -11.9260 -11.9260 -11.5851 -11.5851 -11.5629 -11.5629 -11.5234 -11.5234 -11.5018 -11.5018 2.2944 2.2944 2.2977 2.2977 5.7894 5.7894 5.7946 5.7946 7.3907 7.3907 7.4034 7.4034 7.5877 7.5877 7.6353 7.6353 8.1551 8.1551 8.1790 8.1790 8.7112 8.7112 8.7366 8.7366 8.8609 8.8609 8.9002 8.9002 10.1955 10.1955 10.2289 10.2289 10.9709 10.9709 10.9981 10.9981 11.4632 11.4632 11.4800 11.4800 13.9196 13.9224 k = 0.2125 0.5000 0.2805 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3754 -47.3754 -47.3754 -47.3754 -45.7030 -45.7030 -45.7030 -45.7030 -45.5634 -45.5634 -45.5633 -45.5633 -30.5959 -30.5959 -30.5959 -30.5959 -11.9274 -11.9274 -11.9265 -11.9265 -11.5858 -11.5858 -11.5627 -11.5627 -11.5252 -11.5252 -11.5028 -11.5028 2.3175 2.3175 2.3209 2.3209 5.7744 5.7744 5.7799 5.7799 7.4023 7.4023 7.4133 7.4133 7.6017 7.6017 7.6497 7.6497 8.1462 8.1462 8.1717 8.1717 8.7097 8.7097 8.7348 8.7348 8.8724 8.8724 8.9128 8.9128 10.1453 10.1453 10.1788 10.1788 10.9353 10.9353 10.9623 10.9623 11.4403 11.4403 11.4563 11.4563 13.9307 13.9338 k = 0.2250 0.5000 0.2805 ( 9128 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3754 -47.3754 -47.3754 -47.3754 -45.7031 -45.7031 -45.7030 -45.7030 -45.5633 -45.5633 -45.5632 -45.5632 -30.5958 -30.5958 -30.5958 -30.5958 -11.9278 -11.9278 -11.9269 -11.9269 -11.5865 -11.5865 -11.5627 -11.5627 -11.5269 -11.5269 -11.5037 -11.5037 2.3414 2.3414 2.3449 2.3449 5.7579 5.7579 5.7637 5.7637 7.4155 7.4155 7.4247 7.4247 7.6161 7.6161 7.6642 7.6642 8.1387 8.1387 8.1656 8.1656 8.7064 8.7064 8.7308 8.7308 8.8844 8.8844 8.9255 8.9255 10.0957 10.0957 10.1295 10.1295 10.8989 10.8989 10.9256 10.9256 11.4170 11.4170 11.4322 11.4322 13.9475 13.9498 k = 0.2375 0.5000 0.2805 ( 9124 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3754 -47.3754 -47.3754 -47.3754 -45.7031 -45.7031 -45.7031 -45.7031 -45.5632 -45.5632 -45.5631 -45.5631 -30.5956 -30.5956 -30.5956 -30.5956 -11.9283 -11.9283 -11.9274 -11.9274 -11.5871 -11.5871 -11.5627 -11.5627 -11.5284 -11.5284 -11.5048 -11.5048 2.3661 2.3661 2.3697 2.3697 5.7401 5.7401 5.7461 5.7461 7.4301 7.4301 7.4375 7.4375 7.6304 7.6304 7.6785 7.6785 8.1324 8.1324 8.1606 8.1606 8.7016 8.7016 8.7250 8.7250 8.8965 8.8965 8.9381 8.9381 10.0469 10.0469 10.0811 10.0811 10.8613 10.8613 10.8877 10.8877 11.3938 11.3938 11.4081 11.4081 13.9694 13.9722 k = 0.2500 0.5000 0.2805 ( 9120 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3754 -47.3754 -47.3754 -47.3754 -45.7032 -45.7032 -45.7032 -45.7032 -45.5631 -45.5631 -45.5631 -45.5631 -30.5955 -30.5955 -30.5954 -30.5954 -11.9288 -11.9288 -11.9279 -11.9279 -11.5877 -11.5877 -11.5629 -11.5629 -11.5299 -11.5299 -11.5058 -11.5058 2.3914 2.3914 2.3951 2.3951 5.7209 5.7209 5.7271 5.7271 7.4462 7.4462 7.4516 7.4516 7.6446 7.6446 7.6924 7.6924 8.1274 8.1274 8.1569 8.1569 8.6954 8.6954 8.7177 8.7177 8.9087 8.9087 8.9508 8.9508 9.9990 9.9990 10.0337 10.0337 10.8231 10.8231 10.8492 10.8492 11.3710 11.3710 11.3844 11.3844 13.9968 13.9987 k = 0.2625 0.5000 0.2805 ( 9132 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3755 -47.3755 -47.3754 -47.3754 -45.7033 -45.7033 -45.7033 -45.7033 -45.5630 -45.5630 -45.5630 -45.5630 -30.5953 -30.5953 -30.5953 -30.5953 -11.9293 -11.9293 -11.9284 -11.9284 -11.5882 -11.5882 -11.5633 -11.5633 -11.5312 -11.5312 -11.5069 -11.5069 2.4171 2.4171 2.4209 2.4209 5.7004 5.7004 5.7067 5.7067 7.4635 7.4635 7.4669 7.4669 7.6584 7.6584 7.7055 7.7055 8.1236 8.1236 8.1542 8.1542 8.6878 8.6878 8.7088 8.7088 8.9206 8.9206 8.9629 8.9629 9.9515 9.9515 9.9868 9.9868 10.7842 10.7842 10.8099 10.8099 11.3490 11.3490 11.3615 11.3615 14.0291 14.0300 k = 0.2750 0.5000 0.2805 ( 9124 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3754 -47.3754 -47.3754 -47.3754 -45.7034 -45.7034 -45.7033 -45.7033 -45.5630 -45.5630 -45.5629 -45.5629 -30.5951 -30.5951 -30.5951 -30.5951 -11.9298 -11.9298 -11.9289 -11.9289 -11.5887 -11.5887 -11.5638 -11.5638 -11.5323 -11.5323 -11.5080 -11.5080 2.4433 2.4433 2.4471 2.4471 5.6790 5.6790 5.6854 5.6854 7.4820 7.4820 7.4834 7.4834 7.6723 7.6723 7.7184 7.7184 8.1217 8.1217 8.1532 8.1532 8.6798 8.6798 8.6994 8.6994 8.9324 8.9324 8.9748 8.9748 9.9048 9.9048 9.9406 9.9406 10.7459 10.7459 10.7710 10.7710 11.3281 11.3281 11.3397 11.3397 14.0654 14.0672 k = 0.2875 0.5000 0.2805 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3755 -47.3755 -47.3755 -47.3755 -45.7035 -45.7035 -45.7034 -45.7034 -45.5629 -45.5629 -45.5629 -45.5629 -30.5950 -30.5950 -30.5950 -30.5950 -11.9303 -11.9303 -11.9295 -11.9295 -11.5891 -11.5891 -11.5644 -11.5644 -11.5332 -11.5332 -11.5091 -11.5091 2.4697 2.4697 2.4735 2.4735 5.6566 5.6566 5.6631 5.6631 7.5007 7.5007 7.5014 7.5014 7.6857 7.6857 7.7306 7.7306 8.1209 8.1209 8.1532 8.1532 8.6709 8.6709 8.6891 8.6891 8.9432 8.9432 8.9857 8.9857 9.8582 9.8582 9.8947 9.8947 10.7074 10.7074 10.7319 10.7319 11.3084 11.3084 11.3191 11.3191 14.1068 14.1072 k = 0.3000 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3756 -47.3756 -47.3755 -47.3755 -45.7036 -45.7036 -45.7035 -45.7035 -45.5629 -45.5629 -45.5628 -45.5628 -30.5948 -30.5948 -30.5948 -30.5948 -11.9309 -11.9309 -11.9300 -11.9300 -11.5894 -11.5894 -11.5652 -11.5652 -11.5339 -11.5339 -11.5103 -11.5103 2.4961 2.4961 2.4999 2.4999 5.6334 5.6334 5.6399 5.6399 7.5188 7.5188 7.5215 7.5215 7.6986 7.6986 7.7417 7.7417 8.1216 8.1216 8.1545 8.1545 8.6617 8.6617 8.6784 8.6784 8.9539 8.9539 8.9964 8.9964 9.8119 9.8119 9.8490 9.8490 10.6700 10.6700 10.6937 10.6937 11.2901 11.2901 11.3000 11.3000 14.1517 14.1540 k = 0.3125 0.5000 0.2805 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3756 -47.3756 -47.3755 -47.3755 -45.7036 -45.7036 -45.7036 -45.7036 -45.5628 -45.5628 -45.5628 -45.5628 -30.5946 -30.5946 -30.5946 -30.5946 -11.9314 -11.9314 -11.9306 -11.9306 -11.5897 -11.5897 -11.5662 -11.5662 -11.5344 -11.5344 -11.5114 -11.5114 2.5224 2.5224 2.5262 2.5262 5.6099 5.6099 5.6163 5.6163 7.5375 7.5375 7.5422 7.5422 7.7113 7.7113 7.7524 7.7524 8.1243 8.1243 8.1575 8.1575 8.6528 8.6528 8.6679 8.6679 8.9643 8.9643 9.0066 9.0066 9.7660 9.7660 9.8037 9.8037 10.6341 10.6341 10.6569 10.6569 11.2734 11.2734 11.2825 11.2825 14.2011 14.2025 k = 0.3250 0.5000 0.2805 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3756 -47.3756 -47.3756 -47.3756 -45.7037 -45.7037 -45.7037 -45.7037 -45.5627 -45.5627 -45.5627 -45.5627 -30.5945 -30.5945 -30.5945 -30.5945 -11.9319 -11.9319 -11.9312 -11.9312 -11.5899 -11.5899 -11.5672 -11.5672 -11.5347 -11.5347 -11.5126 -11.5126 2.5484 2.5484 2.5521 2.5521 5.5860 5.5860 5.5922 5.5922 7.5564 7.5564 7.5631 7.5631 7.7231 7.7231 7.7618 7.7618 8.1286 8.1286 8.1616 8.1616 8.6439 8.6439 8.6575 8.6575 8.9740 8.9740 9.0160 9.0160 9.7199 9.7199 9.7581 9.7581 10.5995 10.5995 10.6213 10.6213 11.2582 11.2582 11.2665 11.2665 14.2546 14.2557 k = 0.3375 0.5000 0.2805 ( 9160 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3757 -47.3757 -47.3756 -47.3756 -45.7038 -45.7038 -45.7038 -45.7038 -45.5627 -45.5627 -45.5626 -45.5626 -30.5944 -30.5944 -30.5944 -30.5944 -11.9324 -11.9324 -11.9317 -11.9317 -11.5901 -11.5901 -11.5684 -11.5684 -11.5349 -11.5349 -11.5137 -11.5137 2.5739 2.5739 2.5776 2.5776 5.5620 5.5620 5.5681 5.5681 7.5753 7.5753 7.5840 7.5840 7.7344 7.7344 7.7704 7.7704 8.1339 8.1339 8.1666 8.1666 8.6357 8.6357 8.6476 8.6476 8.9834 8.9834 9.0251 9.0251 9.6739 9.6739 9.7126 9.7126 10.5670 10.5670 10.5876 10.5876 11.2446 11.2446 11.2522 11.2522 14.3106 14.3112 k = 0.3500 0.5000 0.2805 ( 9156 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3757 -47.3757 -47.3756 -47.3756 -45.7039 -45.7039 -45.7038 -45.7038 -45.5626 -45.5626 -45.5626 -45.5626 -30.5942 -30.5942 -30.5942 -30.5942 -11.9329 -11.9329 -11.9323 -11.9323 -11.5901 -11.5901 -11.5696 -11.5696 -11.5349 -11.5349 -11.5149 -11.5149 2.5988 2.5988 2.6023 2.6023 5.5383 5.5383 5.5442 5.5442 7.5940 7.5940 7.6044 7.6044 7.7452 7.7452 7.7781 7.7781 8.1410 8.1410 8.1730 8.1730 8.6284 8.6284 8.6387 8.6387 8.9927 8.9927 9.0339 9.0339 9.6281 9.6281 9.6671 9.6671 10.5371 10.5371 10.5564 10.5564 11.2325 11.2325 11.2394 11.2394 14.3702 14.3704 k = 0.3625 0.5000 0.2805 ( 9160 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3757 -47.3757 -47.3757 -47.3757 -45.7039 -45.7039 -45.7039 -45.7039 -45.5625 -45.5625 -45.5625 -45.5625 -30.5941 -30.5941 -30.5941 -30.5941 -11.9334 -11.9334 -11.9328 -11.9328 -11.5901 -11.5901 -11.5709 -11.5709 -11.5348 -11.5348 -11.5161 -11.5161 2.6228 2.6228 2.6262 2.6262 5.5151 5.5151 5.5208 5.5208 7.6122 7.6122 7.6242 7.6242 7.7554 7.7554 7.7851 7.7851 8.1490 8.1490 8.1799 8.1799 8.6221 8.6221 8.6306 8.6306 9.0015 9.0015 9.0422 9.0422 9.5823 9.5823 9.6215 9.6215 10.5093 10.5093 10.5272 10.5272 11.2218 11.2218 11.2281 11.2281 14.4327 14.4331 k = 0.3750 0.5000 0.2805 ( 9148 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3756 -47.3756 -45.7039 -45.7039 -45.7039 -45.7039 -45.5625 -45.5625 -45.5624 -45.5624 -30.5940 -30.5940 -30.5940 -30.5940 -11.9339 -11.9339 -11.9333 -11.9333 -11.5900 -11.5900 -11.5722 -11.5722 -11.5345 -11.5345 -11.5172 -11.5172 2.6457 2.6457 2.6489 2.6489 5.4928 5.4928 5.4981 5.4981 7.6297 7.6297 7.6429 7.6429 7.7651 7.7651 7.7915 7.7915 8.1584 8.1584 8.1878 8.1878 8.6170 8.6170 8.6239 8.6239 9.0106 9.0106 9.0506 9.0506 9.5369 9.5369 9.5763 9.5763 10.4846 10.4846 10.5010 10.5010 11.2126 11.2126 11.2182 11.2182 14.4975 14.4979 k = 0.3875 0.5000 0.2805 ( 9140 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3756 -47.3756 -47.3756 -47.3756 -45.7040 -45.7040 -45.7039 -45.7039 -45.5624 -45.5624 -45.5624 -45.5624 -30.5938 -30.5938 -30.5938 -30.5938 -11.9343 -11.9343 -11.9338 -11.9338 -11.5898 -11.5898 -11.5736 -11.5736 -11.5342 -11.5342 -11.5184 -11.5184 2.6673 2.6673 2.6702 2.6702 5.4714 5.4714 5.4764 5.4764 7.6462 7.6462 7.6602 7.6602 7.7742 7.7742 7.7972 7.7972 8.1685 8.1685 8.1960 8.1960 8.6133 8.6133 8.6184 8.6184 9.0198 9.0198 9.0591 9.0591 9.4921 9.4921 9.5315 9.5315 10.4620 10.4620 10.4769 10.4769 11.2047 11.2047 11.2097 11.2097 14.5644 14.5644 k = 0.4000 0.5000 0.2805 ( 9140 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3756 -47.3756 -45.7040 -45.7040 -45.7040 -45.7040 -45.5624 -45.5624 -45.5623 -45.5623 -30.5937 -30.5937 -30.5937 -30.5937 -11.9347 -11.9347 -11.9342 -11.9342 -11.5895 -11.5895 -11.5749 -11.5749 -11.5337 -11.5337 -11.5195 -11.5195 2.6873 2.6873 2.6901 2.6901 5.4515 5.4515 5.4560 5.4560 7.6615 7.6615 7.6760 7.6760 7.7824 7.7824 7.8021 7.8021 8.1785 8.1785 8.2039 8.2039 8.6110 8.6110 8.6145 8.6145 9.0289 9.0289 9.0673 9.0673 9.4478 9.4478 9.4871 9.4871 10.4422 10.4422 10.4555 10.4555 11.1980 11.1980 11.2024 11.2024 14.6323 14.6323 k = 0.4125 0.5000 0.2805 ( 9132 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3756 -47.3756 -47.3756 -47.3756 -45.7040 -45.7040 -45.7040 -45.7040 -45.5623 -45.5623 -45.5622 -45.5622 -30.5937 -30.5937 -30.5936 -30.5936 -11.9351 -11.9351 -11.9346 -11.9346 -11.5892 -11.5892 -11.5763 -11.5763 -11.5332 -11.5332 -11.5206 -11.5206 2.7057 2.7057 2.7082 2.7082 5.4332 5.4332 5.4372 5.4372 7.6755 7.6755 7.6899 7.6899 7.7897 7.7897 7.8061 7.8061 8.1890 8.1890 8.2118 8.2118 8.6103 8.6103 8.6123 8.6123 9.0387 9.0387 9.0762 9.0762 9.4047 9.4047 9.4436 9.4436 10.4251 10.4251 10.4368 10.4368 11.1924 11.1924 11.1962 11.1962 14.7000 14.7005 k = 0.4250 0.5000 0.2805 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5622 -45.5622 -45.5622 -45.5622 -30.5936 -30.5936 -30.5936 -30.5936 -11.9354 -11.9354 -11.9350 -11.9350 -11.5887 -11.5887 -11.5776 -11.5776 -11.5326 -11.5326 -11.5217 -11.5217 2.7221 2.7221 2.7243 2.7243 5.4166 5.4166 5.4202 5.4202 7.6880 7.6880 7.7018 7.7018 7.7961 7.7961 7.8094 7.8094 8.1993 8.1993 8.2192 8.2192 8.6105 8.6105 8.6112 8.6112 9.0491 9.0491 9.0857 9.0857 9.3630 9.3630 9.4015 9.4015 10.4100 10.4100 10.4200 10.4200 11.1879 11.1879 11.1911 11.1911 14.7669 14.7675 k = 0.4375 0.5000 0.2805 ( 9140 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3757 -47.3757 -45.7041 -45.7041 -45.7041 -45.7041 -45.5622 -45.5622 -45.5622 -45.5622 -30.5935 -30.5935 -30.5935 -30.5935 -11.9357 -11.9357 -11.9353 -11.9353 -11.5882 -11.5882 -11.5789 -11.5789 -11.5319 -11.5319 -11.5228 -11.5228 2.7364 2.7364 2.7382 2.7382 5.4023 5.4023 5.4053 5.4053 7.6989 7.6989 7.7116 7.7116 7.8016 7.8016 7.8122 7.8122 8.2088 8.2088 8.2257 8.2257 8.6113 8.6113 8.6115 8.6115 9.0603 9.0603 9.0959 9.0959 9.3232 9.3232 9.3610 9.3610 10.3979 10.3979 10.4062 10.4062 11.1842 11.1842 11.1869 11.1869 14.8303 14.8310 k = 0.4500 0.5000 0.2805 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7041 -45.7041 -45.5622 -45.5622 -45.5621 -45.5621 -30.5934 -30.5934 -30.5934 -30.5934 -11.9359 -11.9359 -11.9356 -11.9356 -11.5876 -11.5876 -11.5801 -11.5801 -11.5312 -11.5312 -11.5238 -11.5238 2.7484 2.7484 2.7499 2.7499 5.3904 5.3904 5.3928 5.3928 7.7083 7.7083 7.7193 7.7193 7.8062 7.8062 7.8142 7.8142 8.2175 8.2175 8.2311 8.2311 8.6123 8.6123 8.6132 8.6132 9.0731 9.0731 9.1076 9.1076 9.2862 9.2862 9.3229 9.3229 10.3889 10.3889 10.3955 10.3955 11.1814 11.1814 11.1836 11.1836 14.8869 14.8887 k = 0.4625 0.5000 0.2805 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5934 -30.5934 -30.5934 -30.5934 -11.9360 -11.9360 -11.9359 -11.9359 -11.5869 -11.5869 -11.5813 -11.5813 -11.5304 -11.5304 -11.5248 -11.5248 2.7579 2.7579 2.7591 2.7591 5.3811 5.3811 5.3830 5.3830 7.7163 7.7163 7.7250 7.7250 7.8101 7.8101 7.8158 7.8158 8.2248 8.2248 8.2350 8.2350 8.6142 8.6142 8.6154 8.6154 9.0873 9.0873 9.1202 9.1202 9.2527 9.2527 9.2876 9.2876 10.3822 10.3822 10.3872 10.3872 11.1794 11.1794 11.1810 11.1810 14.9347 14.9368 k = 0.4750 0.5000 0.2805 ( 9132 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3757 -47.3757 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5934 -30.5934 -30.5934 -30.5934 -11.9362 -11.9362 -11.9360 -11.9360 -11.5862 -11.5862 -11.5824 -11.5824 -11.5296 -11.5296 -11.5259 -11.5259 2.7649 2.7649 2.7657 2.7657 5.3744 5.3744 5.3756 5.3756 7.7224 7.7224 7.7284 7.7284 7.8131 7.8131 7.8167 7.8167 8.2308 8.2308 8.2376 8.2376 8.6160 8.6160 8.6171 8.6171 9.1028 9.1028 9.1324 9.1324 9.2246 9.2246 9.2557 9.2557 10.3771 10.3771 10.3805 10.3805 11.1781 11.1781 11.1791 11.1791 14.9712 14.9718 k = 0.4875 0.5000 0.2805 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9361 -11.9361 -11.5854 -11.5854 -11.5835 -11.5835 -11.5287 -11.5287 -11.5268 -11.5268 2.7692 2.7692 2.7696 2.7696 5.3704 5.3704 5.3710 5.3710 7.7267 7.7267 7.7298 7.7298 7.8150 7.8150 7.8168 7.8168 8.2352 8.2352 8.2386 8.2386 8.6174 8.6174 8.6180 8.6180 9.1195 9.1195 9.1401 9.1401 9.2073 9.2073 9.2287 9.2287 10.3745 10.3745 10.3762 10.3762 11.1774 11.1774 11.1779 11.1779 14.9924 14.9933 k = 0.5000 0.5000 0.2805 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5844 -11.5844 -11.5844 -11.5844 -11.5278 -11.5278 -11.5278 -11.5278 2.7708 2.7708 2.7708 2.7708 5.3695 5.3695 5.3695 5.3695 7.7292 7.7292 7.7293 7.7293 7.8163 7.8163 7.8163 7.8163 8.2375 8.2375 8.2376 8.2376 8.6181 8.6181 8.6181 8.6181 9.1346 9.1346 9.1346 9.1346 9.2099 9.2099 9.2099 9.2099 10.3755 10.3755 10.3755 10.3755 11.1773 11.1773 11.1773 11.1773 15.0001 15.0001 k = 0.5000 0.5000 0.2805 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5844 -11.5844 -11.5844 -11.5844 -11.5278 -11.5278 -11.5278 -11.5278 2.7708 2.7708 2.7708 2.7708 5.3695 5.3695 5.3695 5.3695 7.7292 7.7292 7.7293 7.7293 7.8163 7.8163 7.8163 7.8163 8.2375 8.2375 8.2376 8.2376 8.6181 8.6181 8.6181 8.6181 9.1346 9.1346 9.1346 9.1346 9.2099 9.2099 9.2099 9.2099 10.3755 10.3755 10.3755 10.3755 11.1773 11.1773 11.1773 11.1773 15.0001 15.0001 k = 0.4911 0.4911 0.2805 ( 9130 PWs) bands (ev): -81.6869 -81.6869 -81.6866 -81.6866 -47.3757 -47.3757 -47.3756 -47.3756 -45.7042 -45.7042 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5934 -30.5934 -30.5933 -30.5933 -11.9362 -11.9362 -11.9361 -11.9361 -11.5854 -11.5854 -11.5834 -11.5834 -11.5287 -11.5287 -11.5268 -11.5268 2.7679 2.7679 2.7708 2.7708 5.3705 5.3705 5.3712 5.3712 7.7262 7.7262 7.7304 7.7304 7.8151 7.8151 7.8169 7.8169 8.2343 8.2343 8.2391 8.2391 8.6154 8.6154 8.6201 8.6201 9.1176 9.1176 9.1424 9.1424 9.2063 9.2063 9.2295 9.2295 10.3752 10.3752 10.3770 10.3770 11.1768 11.1768 11.1785 11.1785 14.9854 14.9862 k = 0.4821 0.4821 0.2805 ( 9122 PWs) bands (ev): -81.6869 -81.6869 -81.6864 -81.6864 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5934 -30.5934 -30.5933 -30.5933 -11.9362 -11.9362 -11.9360 -11.9360 -11.5862 -11.5862 -11.5824 -11.5824 -11.5296 -11.5296 -11.5258 -11.5258 2.7595 2.7595 2.7708 2.7708 5.3745 5.3745 5.3759 5.3759 7.7187 7.7187 7.7317 7.7317 7.8132 7.8132 7.8168 7.8168 8.2277 8.2277 8.2410 8.2410 8.6071 8.6071 8.6258 8.6258 9.0940 9.0940 9.1449 9.1449 9.2194 9.2194 9.2587 9.2587 10.3757 10.3757 10.3836 10.3836 11.1753 11.1753 11.1819 11.1819 14.9430 14.9431 k = 0.4732 0.4732 0.2805 ( 9118 PWs) bands (ev): -81.6869 -81.6869 -81.6863 -81.6863 -47.3756 -47.3756 -47.3756 -47.3756 -45.7042 -45.7042 -45.7040 -45.7040 -45.5621 -45.5621 -45.5621 -45.5621 -30.5935 -30.5935 -30.5933 -30.5933 -11.9361 -11.9361 -11.9357 -11.9357 -11.5870 -11.5870 -11.5812 -11.5812 -11.5304 -11.5304 -11.5248 -11.5248 2.7456 2.7456 2.7708 2.7708 5.3815 5.3815 5.3835 5.3835 7.7068 7.7068 7.7336 7.7336 7.8106 7.8106 7.8160 7.8160 8.2166 8.2166 8.2435 8.2435 8.5959 8.5959 8.6350 8.6350 9.0670 9.0670 9.1452 9.1452 9.2444 9.2444 9.2918 9.2918 10.3758 10.3758 10.3942 10.3942 11.1730 11.1730 11.1876 11.1876 14.8782 14.8782 k = 0.4643 0.4643 0.2805 ( 9130 PWs) bands (ev): -81.6870 -81.6870 -81.6864 -81.6864 -47.3757 -47.3757 -47.3755 -47.3755 -45.7043 -45.7043 -45.7039 -45.7039 -45.5622 -45.5622 -45.5621 -45.5621 -30.5936 -30.5936 -30.5933 -30.5933 -11.9361 -11.9361 -11.9354 -11.9354 -11.5877 -11.5877 -11.5800 -11.5800 -11.5312 -11.5312 -11.5237 -11.5237 2.7263 2.7263 2.7708 2.7708 5.3912 5.3912 5.3939 5.3939 7.6897 7.6897 7.7358 7.7358 7.8072 7.8072 7.8143 7.8143 8.2020 8.2020 8.2468 8.2468 8.5824 8.5824 8.6468 8.6468 9.0391 9.0391 9.1445 9.1445 9.2779 9.2779 9.3269 9.3269 10.3750 10.3750 10.4099 10.4099 11.1699 11.1699 11.1956 11.1956 14.7979 14.7979 k = 0.4554 0.4554 0.2805 ( 9124 PWs) bands (ev): -81.6869 -81.6869 -81.6864 -81.6864 -47.3758 -47.3758 -47.3754 -47.3754 -45.7045 -45.7045 -45.7036 -45.7036 -45.5623 -45.5623 -45.5621 -45.5621 -30.5937 -30.5937 -30.5933 -30.5933 -11.9360 -11.9360 -11.9349 -11.9349 -11.5882 -11.5882 -11.5788 -11.5788 -11.5320 -11.5320 -11.5227 -11.5227 2.7019 2.7019 2.7708 2.7708 5.4040 5.4040 5.4074 5.4074 7.6676 7.6676 7.7383 7.7383 7.8032 7.8032 7.8120 7.8120 8.1848 8.1848 8.2510 8.2510 8.5689 8.5689 8.6614 8.6614 9.0119 9.0119 9.1438 9.1438 9.3177 9.3177 9.3638 9.3638 10.3748 10.3748 10.4313 10.4313 11.1663 11.1663 11.2059 11.2059 14.7088 14.7088 k = 0.4464 0.4464 0.2805 ( 9132 PWs) bands (ev): -81.6870 -81.6870 -81.6865 -81.6865 -47.3760 -47.3760 -47.3753 -47.3753 -45.7047 -45.7047 -45.7034 -45.7034 -45.5624 -45.5624 -45.5621 -45.5621 -30.5938 -30.5938 -30.5933 -30.5933 -11.9359 -11.9359 -11.9344 -11.9344 -11.5888 -11.5888 -11.5775 -11.5775 -11.5327 -11.5327 -11.5215 -11.5215 2.6725 2.6725 2.7708 2.7708 5.4195 5.4195 5.4236 5.4236 7.6403 7.6403 7.7404 7.7404 7.7988 7.7988 7.8090 7.8090 8.1645 8.1645 8.2563 8.2563 8.5563 8.5563 8.6778 8.6778 8.9855 8.9855 9.1425 9.1425 9.3614 9.3614 9.4023 9.4023 10.3746 10.3746 10.4559 10.4559 11.1624 11.1624 11.2185 11.2185 14.6159 14.6159 k = 0.4375 0.4375 0.2805 ( 9116 PWs) bands (ev): -81.6869 -81.6869 -81.6862 -81.6862 -47.3761 -47.3761 -47.3750 -47.3750 -45.7049 -45.7049 -45.7031 -45.7031 -45.5624 -45.5624 -45.5620 -45.5620 -30.5940 -30.5940 -30.5933 -30.5933 -11.9358 -11.9358 -11.9337 -11.9337 -11.5892 -11.5892 -11.5761 -11.5761 -11.5334 -11.5334 -11.5204 -11.5204 2.6385 2.6385 2.7706 2.7706 5.4379 5.4379 5.4428 5.4428 7.6081 7.6081 7.7422 7.7422 7.7942 7.7942 7.8058 7.8058 8.1423 8.1423 8.2633 8.2633 8.5465 8.5465 8.6961 8.6961 8.9613 8.9613 9.1413 9.1413 9.4068 9.4068 9.4440 9.4440 10.3751 10.3751 10.4858 10.4858 11.1585 11.1585 11.2336 11.2336 14.5227 14.5227 k = 0.4286 0.4286 0.2805 ( 9110 PWs) bands (ev): -81.6869 -81.6869 -81.6861 -81.6861 -47.3762 -47.3762 -47.3748 -47.3748 -45.7051 -45.7051 -45.7027 -45.7027 -45.5624 -45.5624 -45.5620 -45.5620 -30.5942 -30.5942 -30.5933 -30.5933 -11.9357 -11.9357 -11.9330 -11.9330 -11.5895 -11.5895 -11.5747 -11.5747 -11.5341 -11.5341 -11.5192 -11.5192 2.6001 2.6001 2.7703 2.7703 5.4586 5.4586 5.4647 5.4647 7.5710 7.5710 7.7428 7.7428 7.7894 7.7894 7.8022 7.8022 8.1188 8.1188 8.2709 8.2709 8.5391 8.5391 8.7157 8.7157 8.9390 8.9390 9.1400 9.1400 9.4511 9.4511 9.4900 9.4900 10.3753 10.3753 10.5177 10.5177 11.1549 11.1549 11.2510 11.2510 14.4317 14.4317 k = 0.4196 0.4196 0.2805 ( 9114 PWs) bands (ev): -81.6871 -81.6871 -81.6860 -81.6860 -47.3764 -47.3764 -47.3747 -47.3747 -45.7054 -45.7054 -45.7024 -45.7024 -45.5625 -45.5625 -45.5621 -45.5621 -30.5944 -30.5944 -30.5933 -30.5933 -11.9355 -11.9355 -11.9322 -11.9322 -11.5897 -11.5897 -11.5732 -11.5732 -11.5347 -11.5347 -11.5180 -11.5180 2.5578 2.5578 2.7698 2.7698 5.4820 5.4820 5.4895 5.4895 7.5294 7.5294 7.7421 7.7421 7.7836 7.7836 7.7980 7.7980 8.0939 8.0939 8.2793 8.2793 8.5346 8.5346 8.7364 8.7364 8.9180 8.9180 9.1380 9.1380 9.4924 9.4924 9.5407 9.5407 10.3755 10.3755 10.5546 10.5546 11.1519 11.1519 11.2709 11.2709 14.3445 14.3445 k = 0.4107 0.4107 0.2805 ( 9122 PWs) bands (ev): -81.6872 -81.6872 -81.6861 -81.6861 -47.3766 -47.3766 -47.3745 -47.3745 -45.7057 -45.7057 -45.7020 -45.7020 -45.5627 -45.5627 -45.5621 -45.5621 -30.5946 -30.5946 -30.5933 -30.5933 -11.9354 -11.9354 -11.9312 -11.9312 -11.5898 -11.5898 -11.5717 -11.5717 -11.5353 -11.5353 -11.5168 -11.5168 2.5117 2.5117 2.7691 2.7691 5.5076 5.5076 5.5170 5.5170 7.4838 7.4838 7.7395 7.7395 7.7769 7.7769 7.7934 7.7934 8.0684 8.0684 8.2885 8.2885 8.5337 8.5337 8.7579 8.7579 8.8987 8.8987 9.1361 9.1361 9.5312 9.5312 9.5947 9.5947 10.3756 10.3756 10.5946 10.5946 11.1501 11.1501 11.2932 11.2932 14.2625 14.2625 k = 0.4018 0.4018 0.2805 ( 9108 PWs) bands (ev): -81.6871 -81.6871 -81.6858 -81.6858 -47.3768 -47.3768 -47.3742 -47.3742 -45.7060 -45.7060 -45.7015 -45.7015 -45.5628 -45.5628 -45.5621 -45.5621 -30.5949 -30.5949 -30.5933 -30.5933 -11.9352 -11.9352 -11.9302 -11.9302 -11.5899 -11.5899 -11.5702 -11.5702 -11.5358 -11.5358 -11.5156 -11.5156 2.4624 2.4624 2.7681 2.7681 5.5356 5.5356 5.5475 5.5475 7.4347 7.4347 7.7353 7.7353 7.7696 7.7696 7.7891 7.7891 8.0429 8.0429 8.2991 8.2991 8.5362 8.5362 8.7804 8.7804 8.8827 8.8827 9.1342 9.1342 9.5692 9.5692 9.6513 9.6513 10.3762 10.3762 10.6384 10.6384 11.1497 11.1497 11.3181 11.3181 14.1868 14.1868 k = 0.3929 0.3929 0.2805 ( 9112 PWs) bands (ev): -81.6873 -81.6873 -81.6858 -81.6858 -47.3770 -47.3770 -47.3739 -47.3739 -45.7064 -45.7064 -45.7010 -45.7010 -45.5629 -45.5629 -45.5621 -45.5621 -30.5952 -30.5952 -30.5933 -30.5933 -11.9350 -11.9350 -11.9291 -11.9291 -11.5898 -11.5898 -11.5686 -11.5686 -11.5363 -11.5363 -11.5144 -11.5144 2.4101 2.4101 2.7667 2.7667 5.5656 5.5656 5.5806 5.5806 7.3827 7.3827 7.7288 7.7288 7.7604 7.7604 7.7842 7.7842 8.0177 8.0177 8.3101 8.3101 8.5419 8.5419 8.8036 8.8036 8.8681 8.8681 9.1320 9.1320 9.6060 9.6060 9.7087 9.7087 10.3760 10.3760 10.6839 10.6839 11.1512 11.1512 11.3455 11.3455 14.1184 14.1184 k = 0.3839 0.3839 0.2805 ( 9120 PWs) bands (ev): -81.6875 -81.6875 -81.6858 -81.6858 -47.3773 -47.3773 -47.3737 -47.3737 -45.7068 -45.7068 -45.7005 -45.7005 -45.5630 -45.5630 -45.5621 -45.5621 -30.5955 -30.5955 -30.5933 -30.5933 -11.9348 -11.9348 -11.9279 -11.9279 -11.5896 -11.5896 -11.5671 -11.5671 -11.5367 -11.5367 -11.5131 -11.5131 2.3551 2.3551 2.7649 2.7649 5.5976 5.5976 5.6164 5.6164 7.3283 7.3283 7.7201 7.7201 7.7495 7.7495 7.7788 7.7788 7.9935 7.9935 8.3225 8.3225 8.5507 8.5507 8.8272 8.8272 8.8555 8.8555 9.1298 9.1298 9.6416 9.6416 9.7662 9.7662 10.3755 10.3755 10.7316 10.7316 11.1551 11.1551 11.3754 11.3754 14.0581 14.0581 k = 0.3750 0.3750 0.2805 ( 9132 PWs) bands (ev): -81.6876 -81.6876 -81.6860 -81.6860 -47.3777 -47.3777 -47.3734 -47.3734 -45.7073 -45.7073 -45.6999 -45.6999 -45.5632 -45.5632 -45.5621 -45.5621 -30.5958 -30.5958 -30.5933 -30.5933 -11.9346 -11.9346 -11.9267 -11.9267 -11.5893 -11.5893 -11.5655 -11.5655 -11.5370 -11.5370 -11.5119 -11.5119 2.2979 2.2979 2.7627 2.7627 5.6314 5.6314 5.6549 5.6549 7.2720 7.2720 7.7085 7.7085 7.7370 7.7370 7.7729 7.7729 7.9708 7.9708 8.3351 8.3351 8.5625 8.5625 8.8427 8.8427 8.8541 8.8541 9.1272 9.1272 9.6768 9.6768 9.8230 9.8230 10.3752 10.3752 10.7807 10.7807 11.1619 11.1619 11.4079 11.4079 14.0068 14.0068 k = 0.3661 0.3661 0.2805 ( 9132 PWs) bands (ev): -81.6878 -81.6878 -81.6858 -81.6858 -47.3780 -47.3780 -47.3731 -47.3731 -45.7078 -45.7078 -45.6994 -45.6994 -45.5634 -45.5634 -45.5621 -45.5621 -30.5962 -30.5962 -30.5933 -30.5933 -11.9344 -11.9344 -11.9253 -11.9253 -11.5890 -11.5890 -11.5640 -11.5640 -11.5373 -11.5373 -11.5106 -11.5106 2.2387 2.2387 2.7599 2.7599 5.6669 5.6669 5.6962 5.6962 7.2144 7.2144 7.6934 7.6934 7.7231 7.7231 7.7673 7.7673 7.9501 7.9501 8.3488 8.3488 8.5768 8.5768 8.8370 8.8370 8.8779 8.8779 9.1252 9.1252 9.7118 9.7118 9.8790 9.8790 10.3755 10.3755 10.8299 10.8299 11.1722 11.1722 11.4431 11.4431 13.9652 13.9652 k = 0.3571 0.3571 0.2805 ( 9124 PWs) bands (ev): -81.6879 -81.6879 -81.6855 -81.6855 -47.3782 -47.3782 -47.3727 -47.3727 -45.7082 -45.7082 -45.6988 -45.6988 -45.5635 -45.5635 -45.5621 -45.5621 -30.5965 -30.5965 -30.5933 -30.5933 -11.9341 -11.9341 -11.9239 -11.9239 -11.5885 -11.5885 -11.5624 -11.5624 -11.5374 -11.5374 -11.5094 -11.5094 2.1779 2.1779 2.7566 2.7566 5.7040 5.7040 5.7401 5.7401 7.1558 7.1558 7.6739 7.6739 7.7083 7.7083 7.7622 7.7622 7.9315 7.9315 8.3637 8.3637 8.5935 8.5935 8.8324 8.8324 8.9036 8.9036 9.1233 9.1233 9.7464 9.7464 9.9332 9.9332 10.3757 10.3757 10.8796 10.8796 11.1865 11.1865 11.4808 11.4808 13.9342 13.9342 k = 0.3482 0.3482 0.2805 ( 9118 PWs) bands (ev): -81.6878 -81.6878 -81.6855 -81.6855 -47.3785 -47.3785 -47.3723 -47.3723 -45.7087 -45.7087 -45.6981 -45.6981 -45.5636 -45.5636 -45.5620 -45.5620 -30.5969 -30.5969 -30.5933 -30.5933 -11.9339 -11.9339 -11.9224 -11.9224 -11.5879 -11.5879 -11.5610 -11.5610 -11.5375 -11.5375 -11.5081 -11.5081 2.1157 2.1157 2.7526 2.7526 5.7423 5.7423 5.7867 5.7867 7.0968 7.0968 7.6496 7.6496 7.6930 7.6930 7.7577 7.7577 7.9148 7.9148 8.3788 8.3788 8.6122 8.6122 8.8302 8.8302 8.9298 8.9298 9.1227 9.1227 9.7801 9.7801 9.9851 9.9851 10.3757 10.3757 10.9287 10.9287 11.2054 11.2054 11.5211 11.5211 13.9144 13.9144 k = 0.3393 0.3393 0.2805 ( 9120 PWs) bands (ev): -81.6880 -81.6880 -81.6854 -81.6854 -47.3789 -47.3789 -47.3720 -47.3720 -45.7093 -45.7093 -45.6974 -45.6974 -45.5638 -45.5638 -45.5620 -45.5620 -30.5973 -30.5973 -30.5933 -30.5933 -11.9336 -11.9336 -11.9208 -11.9208 -11.5872 -11.5872 -11.5596 -11.5596 -11.5374 -11.5374 -11.5069 -11.5069 2.0525 2.0525 2.7479 2.7479 5.7820 5.7820 5.8358 5.8358 7.0377 7.0377 7.6208 7.6208 7.6767 7.6767 7.7544 7.7544 7.8996 7.8996 8.3948 8.3948 8.6333 8.6333 8.8291 8.8291 8.9563 8.9563 9.1216 9.1216 9.8126 9.8126 10.0342 10.0342 10.3753 10.3753 10.9762 10.9762 11.2296 11.2296 11.5638 11.5638 13.9062 13.9062 k = 0.3304 0.3304 0.2805 ( 9116 PWs) bands (ev): -81.6880 -81.6880 -81.6853 -81.6853 -47.3792 -47.3792 -47.3716 -47.3716 -45.7098 -45.7098 -45.6967 -45.6967 -45.5639 -45.5639 -45.5620 -45.5620 -30.5977 -30.5977 -30.5933 -30.5933 -11.9334 -11.9334 -11.9192 -11.9192 -11.5864 -11.5864 -11.5583 -11.5583 -11.5371 -11.5371 -11.5057 -11.5057 1.9885 1.9885 2.7424 2.7424 5.8228 5.8228 5.8873 5.8873 6.9789 6.9789 7.5884 7.5884 7.6602 7.6602 7.7519 7.7519 7.8856 7.8856 8.4115 8.4115 8.6564 8.6564 8.8308 8.8308 8.9826 8.9826 9.1212 9.1212 9.8449 9.8449 10.0795 10.0795 10.3751 10.3751 11.0222 11.0222 11.2595 11.2595 11.6090 11.6090 13.9100 13.9100 k = 0.3214 0.3214 0.2805 ( 9116 PWs) bands (ev): -81.6880 -81.6880 -81.6853 -81.6853 -47.3796 -47.3796 -47.3711 -47.3711 -45.7104 -45.7104 -45.6959 -45.6959 -45.5641 -45.5641 -45.5619 -45.5619 -30.5981 -30.5981 -30.5933 -30.5933 -11.9331 -11.9331 -11.9175 -11.9175 -11.5856 -11.5856 -11.5572 -11.5572 -11.5366 -11.5366 -11.5045 -11.5045 1.9240 1.9240 2.7361 2.7361 5.8644 5.8644 5.9412 5.9412 6.9205 6.9205 7.5529 7.5529 7.6431 7.6431 7.7502 7.7502 7.8721 7.8721 8.4287 8.4287 8.6810 8.6810 8.8351 8.8351 9.0084 9.0084 9.1222 9.1222 9.8767 9.8767 10.1205 10.1205 10.3744 10.3744 11.0657 11.0657 11.2956 11.2956 11.6566 11.6566 13.9260 13.9260 k = 0.3125 0.3125 0.2805 ( 9126 PWs) bands (ev): -81.6883 -81.6883 -81.6853 -81.6853 -47.3800 -47.3800 -47.3708 -47.3708 -45.7111 -45.7111 -45.6952 -45.6952 -45.5643 -45.5643 -45.5619 -45.5619 -30.5986 -30.5986 -30.5933 -30.5933 -11.9328 -11.9328 -11.9157 -11.9157 -11.5846 -11.5846 -11.5562 -11.5562 -11.5360 -11.5360 -11.5033 -11.5033 1.8592 1.8592 2.7289 2.7289 5.9067 5.9067 5.9975 5.9975 6.8630 6.8630 7.5150 7.5150 7.6252 7.6252 7.7493 7.7493 7.8589 7.8589 8.4464 8.4464 8.7068 8.7068 8.8408 8.8408 9.0321 9.0321 9.1255 9.1255 9.9079 9.9079 10.1570 10.1570 10.3740 10.3740 11.1061 11.1061 11.3382 11.3382 11.7067 11.7067 13.9538 13.9538 k = 0.3036 0.3036 0.2805 ( 9102 PWs) bands (ev): -81.6881 -81.6881 -81.6849 -81.6849 -47.3803 -47.3803 -47.3702 -47.3702 -45.7116 -45.7116 -45.6944 -45.6944 -45.5644 -45.5644 -45.5619 -45.5619 -30.5990 -30.5990 -30.5933 -30.5933 -11.9325 -11.9325 -11.9139 -11.9139 -11.5835 -11.5835 -11.5554 -11.5554 -11.5351 -11.5351 -11.5021 -11.5021 1.7943 1.7943 2.7209 2.7209 5.9497 5.9497 6.0563 6.0563 6.8067 6.8067 7.4756 7.4756 7.6071 7.6071 7.7504 7.7504 7.8464 7.8464 8.4652 8.4652 8.7349 8.7349 8.8495 8.8495 9.0524 9.0524 9.1338 9.1338 9.9388 9.9388 10.1893 10.1893 10.3739 10.3739 11.1442 11.1442 11.3877 11.3877 11.7590 11.7590 13.9928 13.9928 k = 0.2946 0.2946 0.2805 ( 9106 PWs) bands (ev): -81.6881 -81.6881 -81.6849 -81.6849 -47.3807 -47.3807 -47.3698 -47.3698 -45.7122 -45.7122 -45.6936 -45.6936 -45.5646 -45.5646 -45.5618 -45.5618 -30.5995 -30.5995 -30.5933 -30.5933 -11.9322 -11.9322 -11.9121 -11.9121 -11.5824 -11.5824 -11.5547 -11.5547 -11.5340 -11.5340 -11.5010 -11.5010 1.7296 1.7296 2.7120 2.7120 5.9928 5.9928 6.1171 6.1171 6.7515 6.7515 7.4348 7.4348 7.5880 7.5880 7.7516 7.7516 7.8336 7.8336 8.4840 8.4840 8.7636 8.7636 8.8592 8.8592 9.0667 9.0667 9.1483 9.1483 9.9688 9.9688 10.2162 10.2162 10.3731 10.3731 11.1796 11.1796 11.4438 11.4438 11.8135 11.8135 14.0401 14.0401 k = 0.2857 0.2857 0.2805 ( 9116 PWs) bands (ev): -81.6883 -81.6883 -81.6850 -81.6850 -47.3812 -47.3812 -47.3694 -47.3694 -45.7129 -45.7129 -45.6928 -45.6928 -45.5648 -45.5648 -45.5618 -45.5618 -30.6000 -30.6000 -30.5933 -30.5933 -11.9318 -11.9318 -11.9102 -11.9102 -11.5812 -11.5812 -11.5543 -11.5543 -11.5326 -11.5326 -11.5000 -11.5000 1.6652 1.6652 2.7021 2.7021 6.0360 6.0360 6.1798 6.1798 6.6979 6.6979 7.3931 7.3931 7.5687 7.5687 7.7536 7.7536 7.8205 7.8205 8.5030 8.5030 8.7928 8.7928 8.8712 8.8712 9.0752 9.0752 9.1692 9.1692 9.9986 9.9986 10.2383 10.2383 10.3710 10.3710 11.2124 11.2124 11.5065 11.5065 11.8701 11.8701 14.0894 14.0894 k = 0.2768 0.2768 0.2805 ( 9120 PWs) bands (ev): -81.6885 -81.6885 -81.6849 -81.6849 -47.3816 -47.3816 -47.3690 -47.3690 -45.7136 -45.7136 -45.6920 -45.6920 -45.5650 -45.5650 -45.5618 -45.5618 -30.6004 -30.6004 -30.5933 -30.5933 -11.9315 -11.9315 -11.9082 -11.9082 -11.5799 -11.5799 -11.5539 -11.5539 -11.5311 -11.5311 -11.4989 -11.4989 1.6013 1.6013 2.6913 2.6913 6.0789 6.0789 6.2448 6.2448 6.6459 6.6459 7.3509 7.3509 7.5492 7.5492 7.7560 7.7560 7.8079 7.8079 8.5224 8.5224 8.8222 8.8222 8.8855 8.8855 9.0800 9.0800 9.1945 9.1945 10.0282 10.0282 10.2558 10.2558 10.3699 10.3699 11.2431 11.2431 11.5754 11.5754 11.9288 11.9288 14.0921 14.1204 k = 0.2679 0.2679 0.2805 ( 9128 PWs) bands (ev): -81.6889 -81.6889 -81.6847 -81.6847 -47.3820 -47.3820 -47.3686 -47.3686 -45.7142 -45.7142 -45.6913 -45.6913 -45.5651 -45.5651 -45.5618 -45.5618 -30.6009 -30.6009 -30.5933 -30.5933 -11.9312 -11.9312 -11.9063 -11.9063 -11.5785 -11.5785 -11.5537 -11.5537 -11.5294 -11.5294 -11.4979 -11.4979 1.5381 1.5381 2.6795 2.6795 6.1214 6.1214 6.3117 6.3117 6.5957 6.5957 7.3085 7.3085 7.5297 7.5297 7.7573 7.7573 7.7969 7.7969 8.5426 8.5426 8.8504 8.8504 8.9021 8.9021 9.0830 9.0830 9.2220 9.2220 10.0576 10.0576 10.2688 10.2688 10.3690 10.3690 11.2722 11.2722 11.6503 11.6503 11.9896 11.9896 14.0362 14.0367 k = 0.2589 0.2589 0.2805 ( 9136 PWs) bands (ev): -81.6890 -81.6890 -81.6848 -81.6848 -47.3824 -47.3824 -47.3682 -47.3682 -45.7149 -45.7149 -45.6905 -45.6905 -45.5653 -45.5653 -45.5617 -45.5617 -30.6014 -30.6014 -30.5933 -30.5933 -11.9308 -11.9308 -11.9043 -11.9043 -11.5771 -11.5771 -11.5536 -11.5536 -11.5276 -11.5276 -11.4970 -11.4970 1.4758 1.4758 2.6669 2.6669 6.1632 6.1632 6.3805 6.3805 6.5474 6.5474 7.2666 7.2666 7.5097 7.5097 7.7548 7.7548 7.7911 7.7911 8.5616 8.5616 8.8769 8.8769 8.9233 8.9233 9.0857 9.0857 9.2509 9.2509 10.0865 10.0865 10.2778 10.2778 10.3666 10.3666 11.3013 11.3013 11.7307 11.7307 12.0519 12.0519 13.9764 13.9766 k = 0.2500 0.2500 0.2805 ( 9144 PWs) bands (ev): -81.6893 -81.6893 -81.6848 -81.6848 -47.3829 -47.3829 -47.3678 -47.3678 -45.7156 -45.7156 -45.6897 -45.6897 -45.5655 -45.5655 -45.5617 -45.5617 -30.6019 -30.6019 -30.5933 -30.5933 -11.9305 -11.9305 -11.9023 -11.9023 -11.5757 -11.5757 -11.5536 -11.5536 -11.5257 -11.5257 -11.4961 -11.4961 1.4144 1.4144 2.6534 2.6534 6.2040 6.2040 6.4508 6.4508 6.5013 6.5013 7.2254 7.2254 7.4899 7.4899 7.7459 7.7459 7.7923 7.7923 8.5810 8.5810 8.9003 8.9003 8.9491 8.9491 9.0884 9.0884 9.2799 9.2799 10.1154 10.1154 10.2830 10.2830 10.3641 10.3641 11.3305 11.3305 11.8161 11.8161 12.1159 12.1159 13.9158 13.9158 k = 0.2411 0.2411 0.2805 ( 9162 PWs) bands (ev): -81.6900 -81.6900 -81.6845 -81.6845 -47.3832 -47.3832 -47.3675 -47.3675 -45.7162 -45.7162 -45.6891 -45.6891 -45.5656 -45.5656 -45.5618 -45.5618 -30.6023 -30.6023 -30.5933 -30.5933 -11.9301 -11.9301 -11.9003 -11.9003 -11.5742 -11.5742 -11.5536 -11.5536 -11.5237 -11.5237 -11.4953 -11.4953 1.3542 1.3542 2.6390 2.6390 6.2433 6.2433 6.4566 6.4566 6.5234 6.5234 7.1850 7.1850 7.4705 7.4705 7.7324 7.7324 7.7984 7.7984 8.6004 8.6004 8.9201 8.9201 8.9774 8.9774 9.0917 9.0917 9.3087 9.3087 10.1443 10.1443 10.2850 10.2850 10.3615 10.3615 11.3603 11.3603 11.9061 11.9061 12.1816 12.1816 13.8533 13.8533 k = 0.2321 0.2321 0.2805 ( 9174 PWs) bands (ev): -81.6904 -81.6904 -81.6844 -81.6844 -47.3837 -47.3837 -47.3671 -47.3671 -45.7169 -45.7169 -45.6884 -45.6884 -45.5658 -45.5658 -45.5618 -45.5618 -30.6028 -30.6028 -30.5934 -30.5934 -11.9297 -11.9297 -11.8982 -11.8982 -11.5727 -11.5727 -11.5536 -11.5536 -11.5217 -11.5217 -11.4945 -11.4945 1.2952 1.2952 2.6238 2.6238 6.2808 6.2808 6.4145 6.4145 6.5968 6.5968 7.1463 7.1463 7.4511 7.4511 7.7176 7.7176 7.8071 7.8071 8.6194 8.6194 8.9389 8.9389 9.0077 9.0077 9.0980 9.0980 9.3373 9.3373 10.1731 10.1731 10.2837 10.2837 10.3580 10.3580 11.3920 11.3920 12.0000 12.0000 12.2487 12.2487 13.7887 13.7887 k = 0.2232 0.2232 0.2805 ( 9180 PWs) bands (ev): -81.6907 -81.6907 -81.6843 -81.6843 -47.3841 -47.3841 -47.3668 -47.3668 -45.7176 -45.7176 -45.6876 -45.6876 -45.5659 -45.5659 -45.5618 -45.5618 -30.6033 -30.6033 -30.5934 -30.5934 -11.9294 -11.9294 -11.8962 -11.8962 -11.5711 -11.5711 -11.5537 -11.5537 -11.5195 -11.5195 -11.4937 -11.4937 1.2376 1.2376 2.6080 2.6080 6.3158 6.3158 6.3748 6.3748 6.6717 6.6717 7.1094 7.1094 7.4320 7.4320 7.7020 7.7020 7.8181 7.8181 8.6377 8.6377 8.9576 8.9576 9.0376 9.0376 9.1074 9.1074 9.3651 9.3651 10.2018 10.2018 10.2797 10.2797 10.3541 10.3541 11.4259 11.4259 12.0974 12.0974 12.3169 12.3169 13.7220 13.7220 k = 0.2143 0.2143 0.2805 ( 9184 PWs) bands (ev): -81.6909 -81.6909 -81.6842 -81.6842 -47.3845 -47.3845 -47.3664 -47.3664 -45.7182 -45.7182 -45.6868 -45.6868 -45.5661 -45.5661 -45.5618 -45.5618 -30.6038 -30.6038 -30.5934 -30.5934 -11.9290 -11.9290 -11.8942 -11.8942 -11.5696 -11.5696 -11.5537 -11.5537 -11.5174 -11.5174 -11.4931 -11.4931 1.1816 1.1816 2.5915 2.5915 6.3336 6.3336 6.3514 6.3514 6.7479 6.7479 7.0752 7.0752 7.4130 7.4130 7.6859 7.6859 7.8307 7.8307 8.6557 8.6557 8.9761 8.9761 9.0636 9.0636 9.1232 9.1232 9.3920 9.3920 10.2302 10.2302 10.2735 10.2735 10.3497 10.3497 11.4629 11.4629 12.1980 12.1980 12.3862 12.3862 13.6531 13.6531 k = 0.2054 0.2054 0.2805 ( 9182 PWs) bands (ev): -81.6910 -81.6910 -81.6841 -81.6841 -47.3849 -47.3849 -47.3659 -47.3659 -45.7189 -45.7189 -45.6861 -45.6861 -45.5662 -45.5662 -45.5617 -45.5617 -30.6042 -30.6042 -30.5934 -30.5934 -11.9287 -11.9287 -11.8922 -11.8922 -11.5682 -11.5682 -11.5536 -11.5536 -11.5153 -11.5153 -11.4925 -11.4925 1.1271 1.1271 2.5744 2.5744 6.2996 6.2996 6.3786 6.3786 6.8250 6.8250 7.0445 7.0445 7.3948 7.3948 7.6697 7.6697 7.8448 7.8448 8.6721 8.6721 8.9946 8.9946 9.0840 9.0840 9.1475 9.1475 9.4179 9.4179 10.2550 10.2550 10.2687 10.2687 10.3446 10.3446 11.5036 11.5036 12.3011 12.3011 12.4565 12.4565 13.5820 13.5820 k = 0.1964 0.1964 0.2805 ( 9182 PWs) bands (ev): -81.6912 -81.6912 -81.6839 -81.6839 -47.3852 -47.3852 -47.3655 -47.3655 -45.7195 -45.7195 -45.6853 -45.6853 -45.5663 -45.5663 -45.5616 -45.5616 -30.6047 -30.6047 -30.5934 -30.5934 -11.9283 -11.9283 -11.8902 -11.8902 -11.5668 -11.5668 -11.5535 -11.5535 -11.5131 -11.5131 -11.4919 -11.4919 1.0743 1.0743 2.5569 2.5569 6.2659 6.2659 6.4034 6.4034 6.9028 6.9028 7.0179 7.0179 7.3773 7.3773 7.6533 7.6533 7.8602 7.8602 8.6868 8.6868 9.0128 9.0128 9.0998 9.0998 9.1780 9.1780 9.4423 9.4423 10.2505 10.2505 10.2910 10.2910 10.3390 10.3390 11.5483 11.5483 12.4064 12.4064 12.5277 12.5277 13.5087 13.5087 k = 0.1875 0.1875 0.2805 ( 9174 PWs) bands (ev): -81.6910 -81.6910 -81.6839 -81.6839 -47.3856 -47.3856 -47.3650 -47.3650 -45.7202 -45.7202 -45.6845 -45.6845 -45.5664 -45.5664 -45.5615 -45.5615 -30.6051 -30.6051 -30.5934 -30.5934 -11.9279 -11.9279 -11.8882 -11.8882 -11.5655 -11.5655 -11.5533 -11.5533 -11.5110 -11.5110 -11.4914 -11.4914 1.0234 1.0234 2.5390 2.5390 6.2342 6.2342 6.4236 6.4236 6.9780 6.9780 6.9994 6.9994 7.3595 7.3595 7.6374 7.6374 7.8771 7.8771 8.7002 8.7002 9.0319 9.0319 9.1149 9.1149 9.2124 9.2124 9.4656 9.4656 10.2373 10.2373 10.3194 10.3194 10.3322 10.3322 11.5976 11.5976 12.5131 12.5131 12.5992 12.5992 13.4337 13.4337 k = 0.1786 0.1786 0.2805 ( 9178 PWs) bands (ev): -81.6911 -81.6911 -81.6838 -81.6838 -47.3860 -47.3860 -47.3646 -47.3646 -45.7209 -45.7209 -45.6838 -45.6838 -45.5665 -45.5665 -45.5615 -45.5615 -30.6056 -30.6056 -30.5934 -30.5934 -11.9276 -11.9276 -11.8863 -11.8863 -11.5643 -11.5643 -11.5529 -11.5529 -11.5089 -11.5089 -11.4910 -11.4910 0.9743 0.9743 2.5209 2.5209 6.2044 6.2044 6.4381 6.4381 6.9773 6.9773 7.0624 7.0624 7.3426 7.3426 7.6211 7.6211 7.8948 7.8948 8.7113 8.7113 9.0508 9.0508 9.1303 9.1303 9.2478 9.2478 9.4868 9.4868 10.2217 10.2217 10.3244 10.3244 10.3491 10.3491 11.6513 11.6513 12.6204 12.6204 12.6714 12.6714 13.3569 13.3569 k = 0.1696 0.1696 0.2805 ( 9186 PWs) bands (ev): -81.6912 -81.6912 -81.6839 -81.6839 -47.3865 -47.3865 -47.3642 -47.3642 -45.7215 -45.7215 -45.6831 -45.6831 -45.5667 -45.5667 -45.5614 -45.5614 -30.6060 -30.6060 -30.5934 -30.5934 -11.9272 -11.9272 -11.8844 -11.8844 -11.5633 -11.5633 -11.5523 -11.5523 -11.5068 -11.5068 -11.4906 -11.4906 0.9271 0.9271 2.5027 2.5027 6.1764 6.1764 6.4467 6.4467 6.9667 6.9667 7.1414 7.1414 7.3262 7.3262 7.6047 7.6047 7.9135 7.9135 8.7205 8.7205 9.0697 9.0697 9.1470 9.1470 9.2836 9.2836 9.5064 9.5064 10.2040 10.2040 10.3162 10.3162 10.3784 10.3784 11.7100 11.7100 12.7257 12.7257 12.7460 12.7460 13.2788 13.2788 k = 0.1607 0.1607 0.2805 ( 9180 PWs) bands (ev): -81.6912 -81.6912 -81.6838 -81.6838 -47.3868 -47.3868 -47.3638 -47.3638 -45.7221 -45.7221 -45.6824 -45.6824 -45.5668 -45.5668 -45.5613 -45.5613 -30.6064 -30.6064 -30.5934 -30.5934 -11.9269 -11.9269 -11.8825 -11.8825 -11.5626 -11.5626 -11.5516 -11.5516 -11.5048 -11.5048 -11.4902 -11.4902 0.8821 0.8821 2.4845 2.4845 6.1505 6.1505 6.4495 6.4495 6.9618 6.9618 7.2207 7.2207 7.3106 7.3106 7.5883 7.5883 7.9336 7.9336 8.7279 8.7279 9.0892 9.0892 9.1654 9.1654 9.3199 9.3199 9.5247 9.5247 10.1847 10.1847 10.3071 10.3071 10.4079 10.4079 11.7738 11.7738 12.8104 12.8104 12.8405 12.8405 13.1997 13.1997 k = 0.1518 0.1518 0.2805 ( 9176 PWs) bands (ev): -81.6913 -81.6913 -81.6836 -81.6836 -47.3871 -47.3871 -47.3635 -47.3635 -45.7226 -45.7226 -45.6818 -45.6818 -45.5669 -45.5669 -45.5612 -45.5612 -30.6068 -30.6068 -30.5934 -30.5934 -11.9265 -11.9265 -11.8808 -11.8808 -11.5620 -11.5620 -11.5506 -11.5506 -11.5029 -11.5029 -11.4899 -11.4899 0.8390 0.8390 2.4663 2.4663 6.1266 6.1266 6.4465 6.4465 6.9627 6.9627 7.2933 7.2933 7.3021 7.3021 7.5725 7.5725 7.9543 7.9543 8.7336 8.7336 9.1091 9.1091 9.1851 9.1851 9.3553 9.3553 9.5410 9.5410 10.1639 10.1639 10.2969 10.2969 10.4375 10.4375 11.8427 11.8427 12.8825 12.8825 12.9458 12.9458 13.1203 13.1203 k = 0.1429 0.1429 0.2805 ( 9164 PWs) bands (ev): -81.6911 -81.6911 -81.6835 -81.6835 -47.3875 -47.3875 -47.3630 -47.3630 -45.7232 -45.7232 -45.6811 -45.6811 -45.5670 -45.5670 -45.5611 -45.5611 -30.6072 -30.6072 -30.5934 -30.5934 -11.9262 -11.9262 -11.8790 -11.8790 -11.5616 -11.5616 -11.5495 -11.5495 -11.5010 -11.5010 -11.4897 -11.4897 0.7982 0.7982 2.4485 2.4485 6.1043 6.1043 6.4387 6.4387 6.9685 6.9685 7.2810 7.2810 7.3785 7.3785 7.5574 7.5574 7.9758 7.9758 8.7369 8.7369 9.1301 9.1301 9.2069 9.2069 9.3904 9.3904 9.5560 9.5560 10.1418 10.1418 10.2853 10.2853 10.4670 10.4670 11.9166 11.9166 12.9525 12.9525 13.0367 13.0367 13.0540 13.0540 k = 0.1339 0.1339 0.2805 ( 9156 PWs) bands (ev): -81.6910 -81.6910 -81.6835 -81.6835 -47.3878 -47.3878 -47.3626 -47.3626 -45.7237 -45.7237 -45.6805 -45.6805 -45.5671 -45.5671 -45.5610 -45.5610 -30.6076 -30.6076 -30.5934 -30.5934 -11.9259 -11.9259 -11.8774 -11.8774 -11.5614 -11.5614 -11.5483 -11.5483 -11.4992 -11.4992 -11.4895 -11.4895 0.7595 0.7595 2.4310 2.4310 6.0838 6.0838 6.4271 6.4271 6.9783 6.9783 7.2676 7.2676 7.4547 7.4547 7.5442 7.5442 7.9978 7.9978 8.7379 8.7379 9.1509 9.1509 9.2295 9.2295 9.4243 9.4243 9.5698 9.5698 10.1186 10.1186 10.2723 10.2723 10.4964 10.4964 11.9950 11.9950 12.9600 12.9600 13.0219 13.0219 13.1517 13.1517 k = 0.1250 0.1250 0.2805 ( 9160 PWs) bands (ev): -81.6910 -81.6910 -81.6836 -81.6836 -47.3881 -47.3881 -47.3623 -47.3623 -45.7243 -45.7243 -45.6799 -45.6799 -45.5672 -45.5672 -45.5609 -45.5609 -30.6079 -30.6079 -30.5934 -30.5934 -11.9256 -11.9256 -11.8758 -11.8758 -11.5612 -11.5612 -11.5470 -11.5470 -11.4975 -11.4975 -11.4893 -11.4893 0.7231 0.7231 2.4139 2.4139 6.0648 6.0648 6.4126 6.4126 6.9910 6.9910 7.2546 7.2546 7.5122 7.5122 7.5488 7.5488 8.0200 8.0200 8.7366 8.7366 9.1717 9.1717 9.2536 9.2536 9.4566 9.4566 9.5822 9.5822 10.0945 10.0945 10.2576 10.2576 10.5255 10.5255 12.0779 12.0779 12.8819 12.8819 13.0881 13.0881 13.2483 13.2483 k = 0.1161 0.1161 0.2805 ( 9144 PWs) bands (ev): -81.6908 -81.6908 -81.6834 -81.6834 -47.3884 -47.3884 -47.3619 -47.3619 -45.7247 -45.7247 -45.6793 -45.6793 -45.5672 -45.5672 -45.5608 -45.5608 -30.6082 -30.6082 -30.5934 -30.5934 -11.9253 -11.9253 -11.8743 -11.8743 -11.5612 -11.5612 -11.5456 -11.5456 -11.4960 -11.4960 -11.4891 -11.4891 0.6890 0.6890 2.3975 2.3975 6.0476 6.0476 6.3964 6.3964 7.0059 7.0059 7.2431 7.2431 7.5081 7.5081 7.6140 7.6140 8.0427 8.0427 8.7340 8.7340 9.1924 9.1924 9.2802 9.2802 9.4875 9.4875 9.5937 9.5937 10.0699 10.0699 10.2416 10.2416 10.5544 10.5544 12.1648 12.1648 12.8053 12.8053 13.1520 13.1520 13.3393 13.3393 k = 0.1071 0.1071 0.2805 ( 9134 PWs) bands (ev): -81.6907 -81.6907 -81.6832 -81.6832 -47.3886 -47.3886 -47.3616 -47.3616 -45.7252 -45.7252 -45.6788 -45.6788 -45.5673 -45.5673 -45.5607 -45.5607 -30.6085 -30.6085 -30.5934 -30.5934 -11.9250 -11.9250 -11.8728 -11.8728 -11.5612 -11.5612 -11.5442 -11.5442 -11.4946 -11.4946 -11.4889 -11.4889 0.6573 0.6573 2.3818 2.3818 6.0318 6.0318 6.3793 6.3793 7.0219 7.0219 7.2323 7.2323 7.4949 7.4949 7.6863 7.6863 8.0653 8.0653 8.7299 8.7299 9.2121 9.2121 9.3090 9.3090 9.5162 9.5162 9.6048 9.6048 10.0450 10.0450 10.2239 10.2239 10.5826 10.5826 12.2550 12.2550 12.7308 12.7308 13.2120 13.2120 13.4235 13.4235 k = 0.0982 0.0982 0.2805 ( 9142 PWs) bands (ev): -81.6908 -81.6908 -81.6833 -81.6833 -47.3889 -47.3889 -47.3613 -47.3613 -45.7256 -45.7256 -45.6783 -45.6783 -45.5674 -45.5674 -45.5607 -45.5607 -30.6088 -30.6088 -30.5934 -30.5934 -11.9248 -11.9248 -11.8715 -11.8715 -11.5612 -11.5612 -11.5429 -11.5429 -11.4934 -11.4934 -11.4886 -11.4886 0.6279 0.6279 2.3669 2.3669 6.0175 6.0175 6.3618 6.3618 7.0385 7.0385 7.2216 7.2216 7.4814 7.4814 7.7572 7.7572 8.0875 8.0875 8.7232 8.7232 9.2300 9.2300 9.3391 9.3391 9.5415 9.5415 9.6161 9.6161 10.0202 10.0202 10.2035 10.2035 10.6100 10.6100 12.3479 12.3479 12.6588 12.6588 13.2656 13.2656 13.4995 13.4995 k = 0.0893 0.0893 0.2805 ( 9142 PWs) bands (ev): -81.6909 -81.6909 -81.6832 -81.6832 -47.3892 -47.3892 -47.3611 -47.3611 -45.7260 -45.7260 -45.6779 -45.6779 -45.5675 -45.5675 -45.5606 -45.5606 -30.6091 -30.6091 -30.5934 -30.5934 -11.9245 -11.9245 -11.8702 -11.8702 -11.5612 -11.5612 -11.5416 -11.5416 -11.4925 -11.4925 -11.4881 -11.4881 0.6010 0.6010 2.3530 2.3530 6.0047 6.0047 6.3446 6.3446 7.0553 7.0553 7.2123 7.2123 7.4683 7.4683 7.8258 7.8258 8.1092 8.1092 8.7155 8.7155 9.2467 9.2467 9.3715 9.3715 9.5630 9.5630 9.6285 9.6285 9.9958 9.9958 10.1814 10.1814 10.6364 10.6364 12.4426 12.4426 12.5910 12.5910 13.3081 13.3081 13.5296 13.5296 k = 0.0804 0.0804 0.2805 ( 9128 PWs) bands (ev): -81.6908 -81.6908 -81.6830 -81.6830 -47.3893 -47.3893 -47.3608 -47.3608 -45.7263 -45.7263 -45.6775 -45.6775 -45.5675 -45.5675 -45.5605 -45.5605 -30.6093 -30.6093 -30.5934 -30.5934 -11.9243 -11.9243 -11.8691 -11.8691 -11.5613 -11.5613 -11.5404 -11.5404 -11.4919 -11.4919 -11.4875 -11.4875 0.5765 0.5765 2.3401 2.3401 5.9934 5.9934 6.3283 6.3283 7.0717 7.0717 7.2040 7.2040 7.4558 7.4558 7.8913 7.8913 8.1303 8.1303 8.7068 8.7068 9.2623 9.2623 9.4065 9.4065 9.5803 9.5803 9.6428 9.6428 9.9721 9.9721 10.1580 10.1580 10.6616 10.6616 12.5181 12.5181 12.5476 12.5476 13.3286 13.3286 13.5083 13.5083 k = 0.0714 0.0714 0.2805 ( 9136 PWs) bands (ev): -81.6910 -81.6910 -81.6830 -81.6830 -47.3895 -47.3895 -47.3607 -47.3607 -45.7266 -45.7266 -45.6772 -45.6772 -45.5676 -45.5676 -45.5605 -45.5605 -30.6096 -30.6096 -30.5934 -30.5934 -11.9241 -11.9241 -11.8681 -11.8681 -11.5614 -11.5614 -11.5393 -11.5393 -11.4916 -11.4916 -11.4868 -11.4868 0.5545 0.5545 2.3283 2.3283 5.9832 5.9832 6.3129 6.3129 7.0872 7.0872 7.1966 7.1966 7.4433 7.4433 7.9533 7.9533 8.1502 8.1502 8.6963 8.6963 9.2756 9.2756 9.4421 9.4421 9.5933 9.5933 9.6585 9.6585 9.9494 9.9494 10.1315 10.1315 10.6852 10.6852 12.4650 12.4650 12.6372 12.6372 13.3190 13.3190 13.5171 13.5171 k = 0.0625 0.0625 0.2805 ( 9132 PWs) bands (ev): -81.6911 -81.6911 -81.6828 -81.6828 -47.3896 -47.3896 -47.3605 -47.3605 -45.7269 -45.7269 -45.6769 -45.6769 -45.5676 -45.5676 -45.5605 -45.5605 -30.6098 -30.6098 -30.5934 -30.5934 -11.9239 -11.9239 -11.8672 -11.8672 -11.5614 -11.5614 -11.5382 -11.5382 -11.4914 -11.4914 -11.4860 -11.4860 0.5351 0.5351 2.3177 2.3177 5.9746 5.9746 6.2988 6.2988 7.1019 7.1019 7.1906 7.1906 7.4318 7.4318 8.0112 8.0112 8.1687 8.1687 8.6849 8.6849 9.2874 9.2874 9.4787 9.4787 9.6035 9.6035 9.6745 9.6745 9.9282 9.9282 10.1031 10.1031 10.7072 10.7072 12.4112 12.4112 12.7317 12.7317 13.2910 13.2910 13.5450 13.5450 k = 0.0536 0.0536 0.2805 ( 9140 PWs) bands (ev): -81.6913 -81.6913 -81.6828 -81.6828 -47.3898 -47.3898 -47.3604 -47.3604 -45.7271 -45.7271 -45.6766 -45.6766 -45.5676 -45.5676 -45.5605 -45.5605 -30.6099 -30.6099 -30.5934 -30.5934 -11.9238 -11.9238 -11.8663 -11.8663 -11.5615 -11.5615 -11.5373 -11.5373 -11.4914 -11.4914 -11.4853 -11.4853 0.5182 0.5182 2.3083 2.3083 5.9669 5.9669 6.2863 6.2863 7.1151 7.1151 7.1855 7.1855 7.4214 7.4214 8.0643 8.0643 8.1855 8.1855 8.6724 8.6724 9.2971 9.2971 9.5147 9.5147 9.6128 9.6128 9.6899 9.6899 9.9086 9.9086 10.0724 10.0724 10.7269 10.7269 12.3630 12.3630 12.8231 12.8231 13.2581 13.2581 13.5777 13.5777 k = 0.0446 0.0446 0.2805 ( 9138 PWs) bands (ev): -81.6910 -81.6910 -81.6830 -81.6830 -47.3900 -47.3900 -47.3602 -47.3602 -45.7274 -45.7274 -45.6764 -45.6764 -45.5676 -45.5676 -45.5604 -45.5604 -30.6101 -30.6101 -30.5934 -30.5934 -11.9237 -11.9237 -11.8657 -11.8657 -11.5616 -11.5616 -11.5365 -11.5365 -11.4914 -11.4914 -11.4846 -11.4846 0.5039 0.5039 2.3003 2.3003 5.9605 5.9605 6.2755 6.2755 7.1261 7.1261 7.1818 7.1818 7.4122 7.4122 8.1120 8.1120 8.2013 8.2013 8.6595 8.6595 9.3062 9.3062 9.5480 9.5480 9.6243 9.6243 9.7048 9.7048 9.8910 9.8910 10.0393 10.0393 10.7443 10.7443 12.3212 12.3212 12.9088 12.9088 13.2266 13.2266 13.6092 13.6092 k = 0.0357 0.0357 0.2805 ( 9142 PWs) bands (ev): -81.6912 -81.6912 -81.6829 -81.6829 -47.3901 -47.3901 -47.3601 -47.3601 -45.7276 -45.7276 -45.6762 -45.6762 -45.5676 -45.5676 -45.5604 -45.5604 -30.6102 -30.6102 -30.5934 -30.5934 -11.9235 -11.9235 -11.8651 -11.8651 -11.5616 -11.5616 -11.5358 -11.5358 -11.4914 -11.4914 -11.4841 -11.4841 0.4921 0.4921 2.2936 2.2936 5.9554 5.9554 6.2664 6.2664 7.1352 7.1352 7.1796 7.1796 7.4038 7.4038 8.1533 8.1533 8.2143 8.2143 8.6471 8.6471 9.3131 9.3131 9.5737 9.5737 9.6423 9.6423 9.7167 9.7167 9.8757 9.8757 10.0056 10.0056 10.7591 10.7591 12.2866 12.2866 12.9864 12.9864 13.1991 13.1991 13.6366 13.6366 k = 0.0268 0.0268 0.2805 ( 9136 PWs) bands (ev): -81.6912 -81.6912 -81.6828 -81.6828 -47.3901 -47.3901 -47.3600 -47.3600 -45.7277 -45.7277 -45.6760 -45.6760 -45.5677 -45.5677 -45.5603 -45.5603 -30.6103 -30.6103 -30.5934 -30.5934 -11.9235 -11.9235 -11.8646 -11.8646 -11.5617 -11.5617 -11.5352 -11.5352 -11.4915 -11.4915 -11.4836 -11.4836 0.4830 0.4830 2.2884 2.2884 5.9516 5.9516 6.2593 6.2593 7.1413 7.1413 7.1793 7.1793 7.3969 7.3969 8.1870 8.1870 8.2253 8.2253 8.6357 8.6357 9.3190 9.3190 9.5887 9.5887 9.6698 9.6698 9.7263 9.7263 9.8626 9.8626 9.9728 9.9728 10.7708 10.7708 12.2591 12.2591 13.0521 13.0521 13.1771 13.1771 13.6589 13.6589 k = 0.0179 0.0179 0.2805 ( 9140 PWs) bands (ev): -81.6912 -81.6912 -81.6829 -81.6829 -47.3902 -47.3902 -47.3600 -47.3600 -45.7278 -45.7278 -45.6759 -45.6759 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9234 -11.9234 -11.8643 -11.8643 -11.5617 -11.5617 -11.5348 -11.5348 -11.4915 -11.4915 -11.4833 -11.4833 0.4764 0.4764 2.2847 2.2847 5.9487 5.9487 6.2542 6.2542 7.1449 7.1449 7.1800 7.1800 7.3917 7.3917 8.2109 8.2109 8.2350 8.2350 8.6260 8.6260 9.3231 9.3231 9.5958 9.5958 9.7008 9.7008 9.7335 9.7335 9.8513 9.8513 9.9420 9.9420 10.7794 10.7794 12.2391 12.2391 13.1020 13.1020 13.1615 13.1615 13.6747 13.6751 k = 0.0089 0.0089 0.2805 ( 9128 PWs) bands (ev): -81.6911 -81.6911 -81.6826 -81.6826 -47.3902 -47.3902 -47.3599 -47.3599 -45.7278 -45.7278 -45.6759 -45.6759 -45.5676 -45.5676 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9234 -11.9234 -11.8641 -11.8641 -11.5617 -11.5617 -11.5346 -11.5346 -11.4916 -11.4916 -11.4831 -11.4831 0.4725 0.4725 2.2824 2.2824 5.9471 5.9471 6.2511 6.2511 7.1466 7.1466 7.1811 7.1811 7.3886 7.3886 8.2237 8.2237 8.2434 8.2434 8.6201 8.6201 9.3257 9.3257 9.5991 9.5991 9.7275 9.7275 9.7387 9.7387 9.8419 9.8419 9.9202 9.9202 10.7846 10.7846 12.2273 12.2273 13.1309 13.1309 13.1548 13.1548 13.6832 13.6832 k = 0.0000 0.0000 0.2805 ( 9134 PWs) bands (ev): -81.6912 -81.6912 -81.6827 -81.6827 -47.3902 -47.3902 -47.3599 -47.3599 -45.7279 -45.7279 -45.6758 -45.6758 -45.5677 -45.5677 -45.5603 -45.5603 -30.6104 -30.6104 -30.5934 -30.5934 -11.9233 -11.9233 -11.8641 -11.8641 -11.5617 -11.5617 -11.5345 -11.5345 -11.4916 -11.4916 -11.4830 -11.4830 0.4712 0.4712 2.2817 2.2817 5.9463 5.9463 6.2500 6.2500 7.1471 7.1471 7.1816 7.1816 7.3875 7.3875 8.2272 8.2272 8.2469 8.2469 8.6176 8.6176 9.3266 9.3266 9.5999 9.5999 9.7364 9.7364 9.7428 9.7428 9.8371 9.8371 9.9115 9.9115 10.7864 10.7864 12.2233 12.2233 13.1371 13.1371 13.1564 13.1564 13.6853 13.6854 k = 0.0000 0.5000-0.0000 ( 9178 PWs) bands (ev): -81.6875 -81.6875 -81.6875 -81.6875 -47.3754 -47.3754 -47.3754 -47.3754 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5006 -11.5006 -11.5006 -11.5006 2.0577 2.0577 2.0578 2.0578 6.1659 6.1659 6.1659 6.1659 7.3360 7.3360 7.3361 7.3361 7.3840 7.3840 7.3840 7.3840 8.3222 8.3222 8.3222 8.3222 8.5195 8.5195 8.5195 8.5195 9.0224 9.0224 9.0224 9.0224 9.6844 9.6844 9.6844 9.6844 11.4723 11.4723 11.4723 11.4723 13.0180 13.0180 13.0180 13.0180 13.4131 13.4131 k = 0.0000 0.5000 0.0122 ( 9160 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5006 -11.5006 -11.5006 -11.5006 2.0579 2.0579 2.0580 2.0580 6.1644 6.1644 6.1644 6.1644 7.3366 7.3366 7.3367 7.3367 7.3844 7.3844 7.3845 7.3845 8.3226 8.3226 8.3226 8.3226 8.5202 8.5202 8.5202 8.5202 9.0211 9.0211 9.0211 9.0211 9.6890 9.6890 9.6890 9.6890 11.4715 11.4715 11.4715 11.4715 13.0108 13.0108 13.0108 13.0108 13.4160 13.4160 k = 0.0000 0.5000 0.0244 ( 9168 PWs) bands (ev): -81.6873 -81.6873 -81.6873 -81.6873 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5006 -11.5006 -11.5006 -11.5006 2.0585 2.0585 2.0585 2.0585 6.1597 6.1597 6.1597 6.1597 7.3378 7.3378 7.3378 7.3378 7.3852 7.3852 7.3852 7.3852 8.3226 8.3226 8.3227 8.3227 8.5207 8.5207 8.5208 8.5208 9.0159 9.0159 9.0159 9.0159 9.7019 9.7019 9.7019 9.7019 11.4685 11.4685 11.4685 11.4685 12.9891 12.9891 12.9892 12.9892 13.4245 13.4245 k = 0.0000 0.5000 0.0366 ( 9170 PWs) bands (ev): -81.6874 -81.6874 -81.6874 -81.6874 -47.3753 -47.3753 -47.3753 -47.3753 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5005 -11.5005 -11.5005 -11.5005 2.0594 2.0594 2.0595 2.0595 6.1520 6.1520 6.1520 6.1520 7.3397 7.3397 7.3397 7.3397 7.3868 7.3868 7.3868 7.3868 8.3229 8.3229 8.3230 8.3230 8.5218 8.5218 8.5218 8.5218 9.0079 9.0079 9.0079 9.0079 9.7232 9.7232 9.7232 9.7232 11.4638 11.4638 11.4638 11.4638 12.9548 12.9548 12.9548 12.9548 13.4386 13.4386 k = 0.0000 0.5000 0.0488 ( 9178 PWs) bands (ev): -81.6875 -81.6875 -81.6875 -81.6875 -47.3754 -47.3754 -47.3754 -47.3754 -45.7024 -45.7024 -45.7024 -45.7024 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5711 -11.5711 -11.5711 -11.5711 -11.5005 -11.5005 -11.5005 -11.5005 2.0607 2.0607 2.0608 2.0608 6.1416 6.1416 6.1416 6.1416 7.3420 7.3420 7.3420 7.3420 7.3890 7.3890 7.3890 7.3890 8.3234 8.3234 8.3234 8.3234 8.5234 8.5234 8.5234 8.5234 8.9970 8.9970 8.9970 8.9970 9.7520 9.7520 9.7520 9.7520 11.4574 11.4574 11.4574 11.4574 12.9091 12.9091 12.9091 12.9091 13.4580 13.4580 k = 0.0000 0.5000 0.0610 ( 9162 PWs) bands (ev): -81.6873 -81.6873 -81.6873 -81.6873 -47.3753 -47.3753 -47.3753 -47.3753 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9225 -11.9225 -11.9225 -11.9225 -11.5712 -11.5712 -11.5712 -11.5712 -11.5004 -11.5004 -11.5004 -11.5004 2.0624 2.0624 2.0624 2.0624 6.1288 6.1288 6.1288 6.1288 7.3448 7.3448 7.3448 7.3448 7.3923 7.3923 7.3924 7.3924 8.3244 8.3244 8.3244 8.3244 8.5259 8.5259 8.5260 8.5260 8.9849 8.9849 8.9849 8.9849 9.7880 9.7880 9.7881 9.7881 11.4497 11.4497 11.4497 11.4497 12.8544 12.8544 12.8545 12.8545 13.4827 13.4828 k = 0.0000 0.5000 0.0732 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3753 -47.3753 -47.3753 -47.3753 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9226 -11.9226 -11.9226 -11.9226 -11.5712 -11.5712 -11.5712 -11.5712 -11.5003 -11.5003 -11.5003 -11.5003 2.0643 2.0643 2.0644 2.0644 6.1139 6.1139 6.1139 6.1139 7.3475 7.3475 7.3475 7.3475 7.3964 7.3964 7.3964 7.3964 8.3253 8.3253 8.3253 8.3253 8.5288 8.5288 8.5288 8.5288 8.9717 8.9717 8.9717 8.9717 9.8303 9.8303 9.8303 9.8303 11.4406 11.4406 11.4406 11.4406 12.7922 12.7922 12.7922 12.7922 13.5124 13.5124 k = 0.0000 0.5000 0.0854 ( 9150 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9226 -11.9226 -11.9226 -11.9226 -11.5713 -11.5713 -11.5713 -11.5713 -11.5002 -11.5002 -11.5002 -11.5002 2.0665 2.0665 2.0666 2.0666 6.0971 6.0971 6.0971 6.0971 7.3498 7.3498 7.3498 7.3498 7.4012 7.4012 7.4012 7.4012 8.3261 8.3261 8.3261 8.3261 8.5319 8.5319 8.5320 8.5320 8.9573 8.9573 8.9573 8.9573 9.8780 9.8780 9.8780 9.8780 11.4303 11.4303 11.4303 11.4303 12.7238 12.7238 12.7239 12.7239 13.5466 13.5466 k = 0.0000 0.5000 0.0976 ( 9150 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9227 -11.9227 -11.9227 -11.9227 -11.5713 -11.5713 -11.5713 -11.5713 -11.5001 -11.5001 -11.5001 -11.5001 2.0690 2.0690 2.0690 2.0690 6.0790 6.0790 6.0790 6.0790 7.3518 7.3518 7.3519 7.3519 7.4066 7.4066 7.4066 7.4066 8.3270 8.3270 8.3270 8.3270 8.5354 8.5354 8.5355 8.5355 8.9426 8.9426 8.9426 8.9426 9.9306 9.9306 9.9306 9.9306 11.4191 11.4191 11.4191 11.4191 12.6506 12.6506 12.6506 12.6506 13.5851 13.5851 k = 0.0000 0.5000 0.1098 ( 9142 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9227 -11.9227 -11.9227 -11.9227 -11.5714 -11.5714 -11.5714 -11.5714 -11.5000 -11.5000 -11.5000 -11.5000 2.0716 2.0716 2.0716 2.0716 6.0600 6.0600 6.0600 6.0600 7.3536 7.3536 7.3536 7.3536 7.4127 7.4127 7.4128 7.4128 8.3281 8.3281 8.3281 8.3281 8.5396 8.5396 8.5397 8.5397 8.9278 8.9278 8.9278 8.9278 9.9877 9.9877 9.9877 9.9877 11.4075 11.4075 11.4075 11.4075 12.5735 12.5735 12.5735 12.5735 13.6276 13.6276 k = 0.0000 0.5000 0.1220 ( 9138 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9228 -11.9228 -11.9228 -11.9228 -11.5715 -11.5715 -11.5715 -11.5715 -11.4999 -11.4999 -11.4999 -11.4999 2.0744 2.0744 2.0744 2.0744 6.0404 6.0404 6.0404 6.0404 7.3550 7.3550 7.3551 7.3551 7.4192 7.4192 7.4192 7.4192 8.3291 8.3291 8.3291 8.3291 8.5438 8.5438 8.5438 8.5438 8.9131 8.9131 8.9131 8.9131 10.0489 10.0489 10.0489 10.0489 11.3955 11.3955 11.3955 11.3955 12.4934 12.4934 12.4934 12.4934 13.6736 13.6736 k = 0.0000 0.5000 0.1342 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9228 -11.9228 -11.9228 -11.9228 -11.5715 -11.5715 -11.5715 -11.5715 -11.4998 -11.4998 -11.4998 -11.4998 2.0772 2.0772 2.0772 2.0772 6.0206 6.0206 6.0206 6.0206 7.3561 7.3561 7.3561 7.3561 7.4257 7.4257 7.4257 7.4257 8.3300 8.3300 8.3300 8.3300 8.5482 8.5482 8.5483 8.5483 8.8984 8.8984 8.8984 8.8984 10.1133 10.1133 10.1133 10.1133 11.3833 11.3833 11.3833 11.3833 12.4107 12.4107 12.4108 12.4108 13.7229 13.7229 k = 0.0000 0.5000 0.1463 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9229 -11.9229 -11.9229 -11.9229 -11.5716 -11.5716 -11.5716 -11.5716 -11.4997 -11.4997 -11.4997 -11.4997 2.0801 2.0801 2.0801 2.0801 6.0010 6.0010 6.0010 6.0010 7.3570 7.3570 7.3571 7.3571 7.4321 7.4321 7.4322 7.4322 8.3312 8.3312 8.3312 8.3312 8.5531 8.5531 8.5531 8.5531 8.8848 8.8848 8.8848 8.8848 10.1808 10.1808 10.1808 10.1808 11.3713 11.3713 11.3713 11.3713 12.3264 12.3264 12.3264 12.3264 13.7749 13.7749 k = 0.0000 0.5000 0.1585 ( 9136 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9229 -11.9229 -11.9229 -11.9229 -11.5717 -11.5717 -11.5717 -11.5717 -11.4995 -11.4995 -11.4995 -11.4995 2.0830 2.0830 2.0830 2.0830 5.9819 5.9819 5.9819 5.9819 7.3578 7.3578 7.3578 7.3578 7.4383 7.4383 7.4383 7.4383 8.3322 8.3322 8.3323 8.3323 8.5582 8.5582 8.5582 8.5582 8.8714 8.8714 8.8714 8.8714 10.2506 10.2506 10.2506 10.2506 11.3597 11.3597 11.3597 11.3597 12.2409 12.2409 12.2409 12.2409 13.8291 13.8291 k = 0.0000 0.5000 0.1707 ( 9142 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9230 -11.9230 -11.9230 -11.9230 -11.5717 -11.5717 -11.5717 -11.5717 -11.4994 -11.4994 -11.4994 -11.4994 2.0858 2.0858 2.0858 2.0858 5.9636 5.9636 5.9636 5.9636 7.3582 7.3582 7.3582 7.3582 7.4441 7.4441 7.4441 7.4441 8.3330 8.3330 8.3330 8.3330 8.5631 8.5631 8.5632 8.5632 8.8587 8.8587 8.8588 8.8588 10.3224 10.3224 10.3224 10.3224 11.3485 11.3485 11.3485 11.3485 12.1548 12.1548 12.1548 12.1548 13.8850 13.8851 k = 0.0000 0.5000 0.1829 ( 9142 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5641 -45.5641 -45.5641 -45.5641 -30.5976 -30.5976 -30.5976 -30.5976 -11.9230 -11.9230 -11.9230 -11.9230 -11.5718 -11.5718 -11.5718 -11.5718 -11.4993 -11.4993 -11.4993 -11.4993 2.0884 2.0884 2.0885 2.0885 5.9465 5.9465 5.9465 5.9465 7.3587 7.3587 7.3587 7.3587 7.4494 7.4494 7.4495 7.4495 8.3339 8.3339 8.3339 8.3339 8.5682 8.5682 8.5683 8.5683 8.8470 8.8470 8.8470 8.8470 10.3954 10.3954 10.3954 10.3954 11.3380 11.3380 11.3381 11.3381 12.0689 12.0689 12.0689 12.0689 13.9420 13.9420 k = 0.0000 0.5000 0.1951 ( 9156 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3753 -47.3753 -47.3753 -47.3753 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9231 -11.9231 -11.9231 -11.9231 -11.5719 -11.5719 -11.5719 -11.5719 -11.4992 -11.4992 -11.4992 -11.4992 2.0909 2.0909 2.0910 2.0910 5.9307 5.9307 5.9307 5.9307 7.3589 7.3589 7.3589 7.3589 7.4541 7.4541 7.4542 7.4542 8.3346 8.3346 8.3346 8.3346 8.5727 8.5727 8.5728 8.5728 8.8360 8.8360 8.8360 8.8360 10.4688 10.4688 10.4688 10.4688 11.3284 11.3284 11.3284 11.3284 11.9839 11.9839 11.9840 11.9840 13.9991 13.9991 k = 0.0000 0.5000 0.2073 ( 9158 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3753 -47.3753 -47.3753 -47.3753 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9231 -11.9231 -11.9231 -11.9231 -11.5719 -11.5719 -11.5719 -11.5719 -11.4991 -11.4991 -11.4991 -11.4991 2.0932 2.0932 2.0933 2.0933 5.9166 5.9166 5.9167 5.9167 7.3591 7.3591 7.3591 7.3591 7.4583 7.4583 7.4583 7.4583 8.3353 8.3353 8.3353 8.3353 8.5775 8.5775 8.5775 8.5775 8.8264 8.8264 8.8264 8.8264 10.5418 10.5418 10.5418 10.5418 11.3198 11.3198 11.3198 11.3198 11.9010 11.9010 11.9011 11.9011 14.0554 14.0554 k = 0.0000 0.5000 0.2195 ( 9154 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5719 -11.5719 -11.5719 -11.5719 -11.4990 -11.4990 -11.4990 -11.4990 2.0952 2.0952 2.0953 2.0953 5.9044 5.9044 5.9044 5.9044 7.3594 7.3594 7.3594 7.3594 7.4620 7.4620 7.4620 7.4620 8.3361 8.3361 8.3361 8.3361 8.5819 8.5819 8.5820 8.5820 8.8180 8.8180 8.8180 8.8180 10.6129 10.6129 10.6129 10.6129 11.3125 11.3125 11.3125 11.3125 11.8216 11.8216 11.8217 11.8217 14.1098 14.1098 k = 0.0000 0.5000 0.2317 ( 9144 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5720 -11.5720 -11.5720 -11.5720 -11.4990 -11.4990 -11.4990 -11.4990 2.0969 2.0969 2.0970 2.0970 5.8941 5.8941 5.8942 5.8942 7.3598 7.3598 7.3598 7.3598 7.4650 7.4650 7.4650 7.4650 8.3371 8.3371 8.3371 8.3371 8.5861 8.5861 8.5861 8.5861 8.8107 8.8107 8.8107 8.8107 10.6801 10.6801 10.6801 10.6801 11.3065 11.3065 11.3065 11.3065 11.7477 11.7477 11.7477 11.7477 14.1602 14.1602 k = 0.0000 0.5000 0.2439 ( 9162 PWs) bands (ev): -81.6872 -81.6872 -81.6872 -81.6872 -47.3753 -47.3753 -47.3753 -47.3753 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5720 -11.5720 -11.5720 -11.5720 -11.4989 -11.4989 -11.4989 -11.4989 2.0983 2.0983 2.0983 2.0983 5.8859 5.8859 5.8860 5.8860 7.3597 7.3597 7.3597 7.3597 7.4673 7.4673 7.4673 7.4673 8.3371 8.3371 8.3371 8.3371 8.5890 8.5890 8.5890 8.5890 8.8044 8.8044 8.8044 8.8044 10.7402 10.7402 10.7403 10.7403 11.3014 11.3014 11.3014 11.3014 11.6819 11.6819 11.6819 11.6819 14.2043 14.2043 k = 0.0000 0.5000 0.2561 ( 9154 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5720 -11.5720 -11.5720 -11.5720 -11.4989 -11.4989 -11.4989 -11.4989 2.0993 2.0993 2.0993 2.0993 5.8801 5.8801 5.8801 5.8801 7.3598 7.3598 7.3598 7.3598 7.4691 7.4691 7.4691 7.4691 8.3374 8.3374 8.3374 8.3374 8.5916 8.5916 8.5916 8.5916 8.8005 8.8005 8.8005 8.8005 10.7896 10.7896 10.7896 10.7896 11.2979 11.2979 11.2979 11.2979 11.6290 11.6290 11.6290 11.6290 14.2394 14.2394 k = 0.0000 0.5000 0.2683 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5721 -11.5721 -11.5721 -11.5721 -11.4989 -11.4989 -11.4989 -11.4989 2.0999 2.0999 2.0999 2.0999 5.8765 5.8765 5.8766 5.8766 7.3600 7.3600 7.3600 7.3600 7.4701 7.4701 7.4701 7.4701 8.3378 8.3378 8.3378 8.3378 8.5929 8.5929 8.5930 8.5930 8.7980 8.7980 8.7980 8.7980 10.8227 10.8227 10.8227 10.8227 11.2958 11.2958 11.2959 11.2959 11.5936 11.5936 11.5936 11.5936 14.2623 14.2624 k = 0.0000 0.5000 0.2805 ( 9152 PWs) bands (ev): -81.6871 -81.6871 -81.6871 -81.6871 -47.3752 -47.3752 -47.3752 -47.3752 -45.7023 -45.7023 -45.7023 -45.7023 -45.5642 -45.5642 -45.5642 -45.5642 -30.5976 -30.5976 -30.5976 -30.5976 -11.9232 -11.9232 -11.9232 -11.9232 -11.5721 -11.5721 -11.5721 -11.5721 -11.4989 -11.4989 -11.4989 -11.4989 2.1001 2.1001 2.1001 2.1001 5.8754 5.8754 5.8754 5.8754 7.3599 7.3599 7.3599 7.3599 7.4705 7.4705 7.4705 7.4705 8.3377 8.3377 8.3377 8.3377 8.5935 8.5935 8.5936 8.5936 8.7971 8.7971 8.7971 8.7971 10.8345 10.8345 10.8345 10.8345 11.2951 11.2951 11.2951 11.2951 11.5811 11.5811 11.5811 11.5811 14.2703 14.2703 k = 0.5000 0.5000-0.0000 ( 9136 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3756 -47.3756 -45.7042 -45.7042 -45.7042 -45.7042 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9366 -11.9366 -11.5850 -11.5850 -11.5850 -11.5850 -11.5267 -11.5267 -11.5267 -11.5267 2.7427 2.7427 2.7427 2.7427 5.3805 5.3805 5.3805 5.3805 7.8300 7.8300 7.8300 7.8300 7.9049 7.9049 7.9049 7.9049 8.2237 8.2237 8.2238 8.2238 8.6436 8.6436 8.6436 8.6436 9.1367 9.1367 9.1367 9.1367 9.2154 9.2154 9.2154 9.2154 10.3337 10.3337 10.3338 10.3338 11.0405 11.0405 11.0405 11.0405 13.8163 13.8163 k = 0.5000 0.5000 0.0122 ( 9156 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5622 -45.5622 -45.5622 -45.5622 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9366 -11.9366 -11.5850 -11.5850 -11.5850 -11.5850 -11.5267 -11.5267 -11.5267 -11.5267 2.7429 2.7429 2.7429 2.7429 5.3804 5.3804 5.3805 5.3805 7.8298 7.8298 7.8298 7.8298 7.9040 7.9040 7.9040 7.9040 8.2231 8.2231 8.2231 8.2231 8.6434 8.6434 8.6434 8.6434 9.1359 9.1359 9.1359 9.1359 9.2152 9.2152 9.2152 9.2152 10.3332 10.3332 10.3333 10.3333 11.0410 11.0410 11.0410 11.0410 13.8204 13.8204 k = 0.5000 0.5000 0.0244 ( 9152 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5622 -45.5622 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9366 -11.9366 -11.5850 -11.5850 -11.5850 -11.5850 -11.5267 -11.5267 -11.5267 -11.5267 2.7432 2.7432 2.7433 2.7433 5.3803 5.3803 5.3803 5.3803 7.8293 7.8293 7.8293 7.8293 7.9018 7.9018 7.9018 7.9018 8.2236 8.2236 8.2236 8.2236 8.6429 8.6429 8.6430 8.6430 9.1359 9.1359 9.1359 9.1359 9.2151 9.2151 9.2151 9.2151 10.3341 10.3341 10.3342 10.3342 11.0427 11.0427 11.0427 11.0427 13.8329 13.8329 k = 0.5000 0.5000 0.0366 ( 9152 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5622 -45.5622 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9366 -11.9366 -11.9366 -11.9366 -11.5850 -11.5850 -11.5850 -11.5850 -11.5268 -11.5268 -11.5268 -11.5268 2.7439 2.7439 2.7439 2.7439 5.3800 5.3800 5.3800 5.3800 7.8286 7.8286 7.8286 7.8286 7.8982 7.8982 7.8982 7.8982 8.2239 8.2239 8.2239 8.2239 8.6422 8.6422 8.6422 8.6422 9.1359 9.1359 9.1359 9.1359 9.2150 9.2150 9.2150 9.2150 10.3352 10.3352 10.3352 10.3352 11.0455 11.0455 11.0455 11.0455 13.8538 13.8538 k = 0.5000 0.5000 0.0488 ( 9144 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9365 -11.9365 -11.9365 -11.9365 -11.5850 -11.5850 -11.5850 -11.5850 -11.5268 -11.5268 -11.5268 -11.5268 2.7448 2.7448 2.7448 2.7448 5.3797 5.3797 5.3798 5.3798 7.8276 7.8276 7.8276 7.8276 7.8935 7.8935 7.8935 7.8935 8.2244 8.2244 8.2244 8.2244 8.6412 8.6412 8.6412 8.6412 9.1360 9.1360 9.1360 9.1360 9.2149 9.2149 9.2149 9.2149 10.3367 10.3367 10.3367 10.3367 11.0494 11.0494 11.0495 11.0495 13.8830 13.8830 k = 0.5000 0.5000 0.0610 ( 9144 PWs) bands (ev): -81.6869 -81.6869 -81.6869 -81.6869 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7042 -45.7042 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9365 -11.9365 -11.9365 -11.9365 -11.5849 -11.5849 -11.5849 -11.5849 -11.5268 -11.5268 -11.5268 -11.5268 2.7459 2.7459 2.7459 2.7459 5.3793 5.3793 5.3793 5.3793 7.8261 7.8261 7.8261 7.8261 7.8874 7.8874 7.8874 7.8874 8.2250 8.2250 8.2250 8.2250 8.6400 8.6400 8.6400 8.6400 9.1358 9.1358 9.1358 9.1358 9.2146 9.2146 9.2146 9.2146 10.3386 10.3386 10.3387 10.3387 11.0544 11.0544 11.0544 11.0544 13.9199 13.9199 k = 0.5000 0.5000 0.0732 ( 9120 PWs) bands (ev): -81.6866 -81.6866 -81.6866 -81.6866 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9365 -11.9365 -11.9365 -11.9365 -11.5849 -11.5849 -11.5849 -11.5849 -11.5269 -11.5269 -11.5269 -11.5269 2.7472 2.7472 2.7472 2.7472 5.3789 5.3789 5.3789 5.3789 7.8245 7.8245 7.8245 7.8245 7.8807 7.8807 7.8807 7.8807 8.2264 8.2264 8.2264 8.2264 8.6387 8.6387 8.6387 8.6387 9.1365 9.1365 9.1365 9.1365 9.2145 9.2145 9.2145 9.2145 10.3411 10.3411 10.3411 10.3411 11.0604 11.0604 11.0604 11.0604 13.9649 13.9649 k = 0.5000 0.5000 0.0854 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7042 -45.7042 -45.7041 -45.7041 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9365 -11.9365 -11.9365 -11.9365 -11.5849 -11.5849 -11.5849 -11.5849 -11.5269 -11.5269 -11.5269 -11.5269 2.7486 2.7486 2.7486 2.7486 5.3782 5.3782 5.3782 5.3782 7.8222 7.8222 7.8222 7.8222 7.8725 7.8725 7.8726 7.8726 8.2268 8.2268 8.2268 8.2268 8.6370 8.6370 8.6370 8.6370 9.1365 9.1365 9.1365 9.1365 9.2142 9.2142 9.2142 9.2142 10.3433 10.3433 10.3433 10.3433 11.0671 11.0671 11.0671 11.0671 14.0167 14.0167 k = 0.5000 0.5000 0.0976 ( 9112 PWs) bands (ev): -81.6865 -81.6865 -81.6865 -81.6865 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9365 -11.9365 -11.9365 -11.9365 -11.5848 -11.5848 -11.5848 -11.5848 -11.5270 -11.5270 -11.5270 -11.5270 2.7503 2.7503 2.7503 2.7503 5.3776 5.3776 5.3776 5.3776 7.8195 7.8195 7.8195 7.8195 7.8643 7.8643 7.8643 7.8643 8.2280 8.2280 8.2280 8.2280 8.6353 8.6353 8.6353 8.6353 9.1368 9.1368 9.1368 9.1368 9.2141 9.2141 9.2141 9.2141 10.3464 10.3464 10.3464 10.3464 11.0747 11.0747 11.0747 11.0747 14.0758 14.0758 k = 0.5000 0.5000 0.1098 ( 9120 PWs) bands (ev): -81.6866 -81.6866 -81.6866 -81.6866 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9364 -11.9364 -11.9364 -11.9364 -11.5848 -11.5848 -11.5848 -11.5848 -11.5271 -11.5271 -11.5271 -11.5271 2.7520 2.7520 2.7520 2.7520 5.3769 5.3769 5.3769 5.3769 7.8158 7.8158 7.8159 7.8159 7.8558 7.8558 7.8558 7.8558 8.2284 8.2284 8.2284 8.2284 8.6335 8.6335 8.6335 8.6335 9.1366 9.1366 9.1366 9.1366 9.2138 9.2138 9.2138 9.2138 10.3488 10.3488 10.3489 10.3489 11.0829 11.0829 11.0829 11.0829 14.1412 14.1412 k = 0.5000 0.5000 0.1220 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9364 -11.9364 -11.9364 -11.9364 -11.5848 -11.5848 -11.5848 -11.5848 -11.5271 -11.5271 -11.5271 -11.5271 2.7538 2.7538 2.7538 2.7538 5.3761 5.3761 5.3762 5.3762 7.8111 7.8111 7.8111 7.8111 7.8480 7.8480 7.8480 7.8480 8.2293 8.2293 8.2293 8.2293 8.6317 8.6317 8.6317 8.6317 9.1359 9.1359 9.1359 9.1359 9.2133 9.2133 9.2133 9.2133 10.3513 10.3513 10.3514 10.3514 11.0916 11.0916 11.0916 11.0916 14.2129 14.2129 k = 0.5000 0.5000 0.1342 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9364 -11.9364 -11.9364 -11.9364 -11.5847 -11.5847 -11.5847 -11.5847 -11.5272 -11.5272 -11.5272 -11.5272 2.7557 2.7557 2.7557 2.7557 5.3754 5.3754 5.3754 5.3754 7.8050 7.8050 7.8050 7.8050 7.8412 7.8412 7.8412 7.8412 8.2303 8.2303 8.2303 8.2303 8.6299 8.6299 8.6299 8.6299 9.1358 9.1358 9.1358 9.1358 9.2130 9.2130 9.2130 9.2130 10.3541 10.3541 10.3542 10.3542 11.1007 11.1007 11.1007 11.1007 14.2901 14.2901 k = 0.5000 0.5000 0.1463 ( 9132 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9364 -11.9364 -11.9364 -11.9364 -11.5847 -11.5847 -11.5847 -11.5847 -11.5273 -11.5273 -11.5273 -11.5273 2.7576 2.7576 2.7576 2.7576 5.3745 5.3745 5.3745 5.3745 7.7974 7.7974 7.7974 7.7974 7.8356 7.8356 7.8356 7.8356 8.2312 8.2312 8.2312 8.2312 8.6280 8.6280 8.6280 8.6280 9.1360 9.1360 9.1360 9.1360 9.2126 9.2126 9.2126 9.2126 10.3570 10.3570 10.3570 10.3570 11.1100 11.1100 11.1100 11.1100 14.3721 14.3721 k = 0.5000 0.5000 0.1585 ( 9132 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9363 -11.9363 -11.9363 -11.9363 -11.5847 -11.5847 -11.5847 -11.5847 -11.5273 -11.5273 -11.5273 -11.5273 2.7595 2.7595 2.7595 2.7595 5.3738 5.3738 5.3738 5.3738 7.7889 7.7889 7.7890 7.7890 7.8312 7.8312 7.8313 7.8313 8.2323 8.2323 8.2324 8.2324 8.6264 8.6264 8.6264 8.6264 9.1357 9.1357 9.1357 9.1357 9.2121 9.2121 9.2121 9.2121 10.3596 10.3596 10.3597 10.3597 11.1194 11.1194 11.1194 11.1194 14.4582 14.4582 k = 0.5000 0.5000 0.1707 ( 9140 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7041 -45.7041 -45.5622 -45.5622 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9363 -11.9363 -11.9363 -11.9363 -11.5846 -11.5846 -11.5846 -11.5846 -11.5274 -11.5274 -11.5274 -11.5274 2.7613 2.7613 2.7613 2.7613 5.3730 5.3730 5.3730 5.3730 7.7797 7.7797 7.7798 7.7798 7.8278 7.8278 7.8279 7.8279 8.2329 8.2329 8.2329 8.2329 8.6247 8.6247 8.6247 8.6247 9.1355 9.1355 9.1356 9.1356 9.2118 9.2118 9.2118 9.2118 10.3621 10.3621 10.3622 10.3622 11.1286 11.1286 11.1286 11.1286 14.5470 14.5470 k = 0.5000 0.5000 0.1829 ( 9152 PWs) bands (ev): -81.6870 -81.6870 -81.6870 -81.6870 -47.3757 -47.3757 -47.3757 -47.3757 -45.7042 -45.7042 -45.7041 -45.7041 -45.5622 -45.5622 -45.5622 -45.5622 -30.5933 -30.5933 -30.5933 -30.5933 -11.9363 -11.9363 -11.9363 -11.9363 -11.5846 -11.5846 -11.5846 -11.5846 -11.5275 -11.5275 -11.5275 -11.5275 2.7631 2.7631 2.7631 2.7631 5.3722 5.3722 5.3722 5.3722 7.7705 7.7705 7.7705 7.7705 7.8251 7.8251 7.8251 7.8251 8.2335 8.2335 8.2335 8.2335 8.6230 8.6230 8.6230 8.6230 9.1353 9.1353 9.1353 9.1353 9.2113 9.2113 9.2113 9.2113 10.3643 10.3643 10.3643 10.3643 11.1375 11.1375 11.1375 11.1375 14.6370 14.6370 k = 0.5000 0.5000 0.1951 ( 9132 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9363 -11.9363 -11.9363 -11.9363 -11.5846 -11.5846 -11.5846 -11.5846 -11.5275 -11.5275 -11.5275 -11.5275 2.7647 2.7647 2.7648 2.7648 5.3716 5.3716 5.3716 5.3716 7.7620 7.7620 7.7620 7.7620 7.8230 7.8230 7.8230 7.8230 8.2347 8.2347 8.2347 8.2347 8.6221 8.6221 8.6221 8.6221 9.1358 9.1358 9.1358 9.1358 9.2112 9.2112 9.2113 9.2113 10.3667 10.3667 10.3667 10.3667 11.1460 11.1460 11.1460 11.1460 14.7260 14.7260 k = 0.5000 0.5000 0.2073 ( 9108 PWs) bands (ev): -81.6864 -81.6864 -81.6864 -81.6864 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9363 -11.9363 -11.9363 -11.9363 -11.5845 -11.5845 -11.5845 -11.5845 -11.5276 -11.5276 -11.5276 -11.5276 2.7663 2.7663 2.7663 2.7663 5.3711 5.3711 5.3712 5.3712 7.7541 7.7541 7.7541 7.7541 7.8214 7.8214 7.8215 7.8215 8.2359 8.2359 8.2359 8.2359 8.6213 8.6213 8.6213 8.6213 9.1361 9.1361 9.1361 9.1361 9.2113 9.2113 9.2113 9.2113 10.3695 10.3695 10.3696 10.3696 11.1537 11.1537 11.1537 11.1537 14.8094 14.8094 k = 0.5000 0.5000 0.2195 ( 9108 PWs) bands (ev): -81.6864 -81.6864 -81.6864 -81.6864 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5845 -11.5845 -11.5845 -11.5845 -11.5276 -11.5276 -11.5276 -11.5276 2.7676 2.7676 2.7676 2.7676 5.3706 5.3706 5.3706 5.3706 7.7469 7.7469 7.7469 7.7469 7.8200 7.8200 7.8200 7.8200 8.2365 8.2365 8.2365 8.2365 8.6203 8.6203 8.6203 8.6203 9.1361 9.1361 9.1361 9.1361 9.2111 9.2111 9.2111 9.2111 10.3712 10.3712 10.3713 10.3713 11.1605 11.1605 11.1605 11.1605 14.8809 14.8809 k = 0.5000 0.5000 0.2317 ( 9108 PWs) bands (ev): -81.6864 -81.6864 -81.6864 -81.6864 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5845 -11.5845 -11.5845 -11.5845 -11.5277 -11.5277 -11.5277 -11.5277 2.7687 2.7687 2.7687 2.7687 5.3702 5.3702 5.3702 5.3702 7.7407 7.7407 7.7407 7.7407 7.8188 7.8188 7.8188 7.8188 8.2371 8.2371 8.2371 8.2371 8.6195 8.6195 8.6195 8.6195 9.1360 9.1360 9.1360 9.1360 9.2109 9.2109 9.2109 9.2109 10.3726 10.3726 10.3727 10.3727 11.1664 11.1664 11.1664 11.1664 14.9344 14.9344 k = 0.5000 0.5000 0.2439 ( 9108 PWs) bands (ev): -81.6864 -81.6864 -81.6864 -81.6864 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7040 -45.7040 -45.5621 -45.5621 -45.5620 -45.5620 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5845 -11.5845 -11.5845 -11.5845 -11.5277 -11.5277 -11.5277 -11.5277 2.7696 2.7696 2.7696 2.7696 5.3699 5.3699 5.3699 5.3699 7.7358 7.7358 7.7358 7.7358 7.8179 7.8179 7.8179 7.8179 8.2375 8.2375 8.2375 8.2375 8.6189 8.6189 8.6189 8.6189 9.1356 9.1356 9.1356 9.1356 9.2107 9.2107 9.2107 9.2107 10.3741 10.3741 10.3741 10.3741 11.1711 11.1711 11.1711 11.1711 14.9684 14.9684 k = 0.5000 0.5000 0.2561 ( 9132 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5622 -45.5622 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5845 -11.5845 -11.5845 -11.5845 -11.5278 -11.5278 -11.5278 -11.5278 2.7702 2.7702 2.7702 2.7702 5.3696 5.3696 5.3697 5.3697 7.7321 7.7321 7.7321 7.7321 7.8169 7.8169 7.8169 7.8169 8.2377 8.2377 8.2377 8.2377 8.6183 8.6183 8.6183 8.6183 9.1343 9.1343 9.1343 9.1343 9.2100 9.2100 9.2100 9.2100 10.3745 10.3745 10.3746 10.3746 11.1745 11.1745 11.1745 11.1745 14.9876 14.9876 k = 0.5000 0.5000 0.2683 ( 9132 PWs) bands (ev): -81.6868 -81.6868 -81.6868 -81.6868 -47.3757 -47.3757 -47.3756 -47.3756 -45.7042 -45.7042 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5844 -11.5844 -11.5844 -11.5844 -11.5278 -11.5278 -11.5278 -11.5278 2.7706 2.7706 2.7706 2.7706 5.3695 5.3695 5.3695 5.3695 7.7300 7.7300 7.7300 7.7300 7.8162 7.8162 7.8162 7.8162 8.2378 8.2378 8.2378 8.2378 8.6183 8.6183 8.6183 8.6183 9.1346 9.1346 9.1346 9.1346 9.2096 9.2096 9.2096 9.2096 10.3752 10.3752 10.3753 10.3753 11.1766 11.1766 11.1766 11.1766 14.9972 14.9972 k = 0.5000 0.5000 0.2805 ( 9128 PWs) bands (ev): -81.6867 -81.6867 -81.6867 -81.6867 -47.3756 -47.3756 -47.3756 -47.3756 -45.7041 -45.7041 -45.7041 -45.7041 -45.5621 -45.5621 -45.5621 -45.5621 -30.5933 -30.5933 -30.5933 -30.5933 -11.9362 -11.9362 -11.9362 -11.9362 -11.5844 -11.5844 -11.5844 -11.5844 -11.5278 -11.5278 -11.5278 -11.5278 2.7708 2.7708 2.7708 2.7708 5.3695 5.3695 5.3695 5.3695 7.7292 7.7292 7.7293 7.7293 7.8163 7.8163 7.8163 7.8163 8.2375 8.2375 8.2376 8.2376 8.6181 8.6181 8.6181 8.6181 9.1346 9.1346 9.1346 9.1346 9.2099 9.2099 9.2099 9.2099 10.3755 10.3755 10.3755 10.3755 11.1773 11.1773 11.1773 11.1773 15.0001 15.0001 Writing output data file CaCoSi.save init_run : 0.44s CPU 0.84s WALL ( 1 calls) electrons : 791.65s CPU 800.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 791.64s CPU 800.63s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.22s WALL ( 350 calls) cegterg : 754.76s CPU 761.48s WALL ( 1349 calls) Called by sum_band: Called by *egterg: h_psi : 387.58s CPU 390.86s WALL ( 25796 calls) s_psi : 24.10s CPU 24.24s WALL ( 25796 calls) g_psi : 1.25s CPU 1.23s WALL ( 24097 calls) cdiaghg : 250.72s CPU 253.74s WALL ( 24447 calls) cegterg:over : 39.58s CPU 39.55s WALL ( 24097 calls) cegterg:upda : 44.95s CPU 45.29s WALL ( 24097 calls) cegterg:last : 16.50s CPU 16.47s WALL ( 2399 calls) cdiaghg:chol : 14.08s CPU 14.54s WALL ( 24447 calls) cdiaghg:inve : 10.05s CPU 10.09s WALL ( 24447 calls) cdiaghg:para : 16.57s CPU 16.69s WALL ( 48894 calls) Called by h_psi: h_psi:vloc : 322.66s CPU 325.81s WALL ( 25796 calls) h_psi:vnl : 63.45s CPU 63.55s WALL ( 25796 calls) add_vuspsi : 33.05s CPU 33.11s WALL ( 25796 calls) General routines calbec : 30.28s CPU 30.36s WALL ( 25796 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 306.42s CPU 309.33s WALL ( 1982180 calls) davcio : 0.34s CPU 0.68s WALL ( 700 calls) Parallel routines fft_scatter : 102.10s CPU 102.90s WALL ( 1982195 calls) PWSCF : 13m50.62s CPU 14m32.78s WALL This run was terminated on: 16:52:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=