Program PWSCF v.5.4.0 starts on 12Feb2017 at 3: 0:43 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Zr2CuSb3.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 29 24 7 1603 1198 189 Max 30 25 8 1610 1219 197 Sum 1069 877 261 57869 43525 7005 bravais-lattice index = 14 lattice parameter (alat) = 7.4463 a.u. unit-cell volume = 911.2795 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.446276 celldm(2)= 1.000000 celldm(3)= 2.207162 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 2.207162 ) 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 0.453071 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 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 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2S4 7 8 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -7 -8 inv. 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2' -2C2' 3 -3 4 -4 180 deg rotation - cart. axis [1,1,0] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0029412 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0029412 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0029412 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029412 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0029412 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0029412 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0029412 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0029412 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0029412 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0029412 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0029412 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0029412 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0029412 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0029412 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0029412 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0029412 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0029412 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0029412 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0029412 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0029412 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0029412 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0029412 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029412 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0029412 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0029412 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0029412 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0029412 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0029412 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0029412 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0029412 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0029412 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0029412 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0029412 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0029412 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0029412 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0029412 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0029412 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0029412 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0029412 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0029412 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0029412 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0029412 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0029412 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0029412 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0029412 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0029412 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0029412 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0029412 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0029412 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0029412 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0029412 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0029412 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0029412 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0029412 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0029412 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0029412 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0029412 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0029412 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0029412 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0029412 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0029412 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0029412 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0029412 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0029412 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0029412 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0029412 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0029412 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0029412 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0029412 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0029412 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029412 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0029412 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0029412 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0029412 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0029412 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0029412 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0029412 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0029412 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0029412 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0029412 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0029412 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0029412 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0029412 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0029412 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0029412 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0029412 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0029412 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0029412 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.0119229), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.0238458), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.0357687), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.0476916), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.0596145), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.0715375), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.0834604), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.0953833), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.1073062), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.1192291), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.1311520), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.1430749), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.1549978), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.1669207), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.1788436), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.1907666), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.2026895), wk = 0.0029412 k( 159) = ( 0.0000000 0.0000000 0.2146124), wk = 0.0029412 k( 160) = ( 0.0000000 0.0000000 0.2265353), wk = 0.0029412 k( 161) = ( 0.0000000 0.0000000 0.2265353), wk = 0.0029412 k( 162) = ( 0.0000000 0.0125000 0.2265353), wk = 0.0029412 k( 163) = ( 0.0000000 0.0250000 0.2265353), wk = 0.0029412 k( 164) = ( 0.0000000 0.0375000 0.2265353), wk = 0.0029412 k( 165) = ( 0.0000000 0.0500000 0.2265353), wk = 0.0029412 k( 166) = ( 0.0000000 0.0625000 0.2265353), wk = 0.0029412 k( 167) = ( 0.0000000 0.0750000 0.2265353), wk = 0.0029412 k( 168) = ( 0.0000000 0.0875000 0.2265353), wk = 0.0029412 k( 169) = ( 0.0000000 0.1000000 0.2265353), wk = 0.0029412 k( 170) = ( 0.0000000 0.1125000 0.2265353), wk = 0.0029412 k( 171) = ( 0.0000000 0.1250000 0.2265353), wk = 0.0029412 k( 172) = ( 0.0000000 0.1375000 0.2265353), wk = 0.0029412 k( 173) = ( 0.0000000 0.1500000 0.2265353), wk = 0.0029412 k( 174) = ( 0.0000000 0.1625000 0.2265353), wk = 0.0029412 k( 175) = ( 0.0000000 0.1750000 0.2265353), wk = 0.0029412 k( 176) = ( 0.0000000 0.1875000 0.2265353), wk = 0.0029412 k( 177) = ( 0.0000000 0.2000000 0.2265353), wk = 0.0029412 k( 178) = ( 0.0000000 0.2125000 0.2265353), wk = 0.0029412 k( 179) = ( 0.0000000 0.2250000 0.2265353), wk = 0.0029412 k( 180) = ( 0.0000000 0.2375000 0.2265353), wk = 0.0029412 k( 181) = ( 0.0000000 0.2500000 0.2265353), wk = 0.0029412 k( 182) = ( 0.0000000 0.2625000 0.2265353), wk = 0.0029412 k( 183) = ( 0.0000000 0.2750000 0.2265353), wk = 0.0029412 k( 184) = ( 0.0000000 0.2875000 0.2265353), wk = 0.0029412 k( 185) = ( 0.0000000 0.3000000 0.2265353), wk = 0.0029412 k( 186) = ( 0.0000000 0.3125000 0.2265353), wk = 0.0029412 k( 187) = ( 0.0000000 0.3250000 0.2265353), wk = 0.0029412 k( 188) = ( 0.0000000 0.3375000 0.2265353), wk = 0.0029412 k( 189) = ( 0.0000000 0.3500000 0.2265353), wk = 0.0029412 k( 190) = ( 0.0000000 0.3625000 0.2265353), wk = 0.0029412 k( 191) = ( 0.0000000 0.3750000 0.2265353), wk = 0.0029412 k( 192) = ( 0.0000000 0.3875000 0.2265353), wk = 0.0029412 k( 193) = ( 0.0000000 0.4000000 0.2265353), wk = 0.0029412 k( 194) = ( 0.0000000 0.4125000 0.2265353), wk = 0.0029412 k( 195) = ( 0.0000000 0.4250000 0.2265353), wk = 0.0029412 k( 196) = ( 0.0000000 0.4375000 0.2265353), wk = 0.0029412 k( 197) = ( 0.0000000 0.4500000 0.2265353), wk = 0.0029412 k( 198) = ( 0.0000000 0.4625000 0.2265353), wk = 0.0029412 k( 199) = ( 0.0000000 0.4750000 0.2265353), wk = 0.0029412 k( 200) = ( 0.0000000 0.4875000 0.2265353), wk = 0.0029412 k( 201) = ( 0.0000000 0.5000000 0.2265353), wk = 0.0029412 k( 202) = ( 0.0000000 0.5000000 0.2265353), wk = 0.0029412 k( 203) = ( 0.0125000 0.5000000 0.2265353), wk = 0.0029412 k( 204) = ( 0.0250000 0.5000000 0.2265353), wk = 0.0029412 k( 205) = ( 0.0375000 0.5000000 0.2265353), wk = 0.0029412 k( 206) = ( 0.0500000 0.5000000 0.2265353), wk = 0.0029412 k( 207) = ( 0.0625000 0.5000000 0.2265353), wk = 0.0029412 k( 208) = ( 0.0750000 0.5000000 0.2265353), wk = 0.0029412 k( 209) = ( 0.0875000 0.5000000 0.2265353), wk = 0.0029412 k( 210) = ( 0.1000000 0.5000000 0.2265353), wk = 0.0029412 k( 211) = ( 0.1125000 0.5000000 0.2265353), wk = 0.0029412 k( 212) = ( 0.1250000 0.5000000 0.2265353), wk = 0.0029412 k( 213) = ( 0.1375000 0.5000000 0.2265353), wk = 0.0029412 k( 214) = ( 0.1500000 0.5000000 0.2265353), wk = 0.0029412 k( 215) = ( 0.1625000 0.5000000 0.2265353), wk = 0.0029412 k( 216) = ( 0.1750000 0.5000000 0.2265353), wk = 0.0029412 k( 217) = ( 0.1875000 0.5000000 0.2265353), wk = 0.0029412 k( 218) = ( 0.2000000 0.5000000 0.2265353), wk = 0.0029412 k( 219) = ( 0.2125000 0.5000000 0.2265353), wk = 0.0029412 k( 220) = ( 0.2250000 0.5000000 0.2265353), wk = 0.0029412 k( 221) = ( 0.2375000 0.5000000 0.2265353), wk = 0.0029412 k( 222) = ( 0.2500000 0.5000000 0.2265353), wk = 0.0029412 k( 223) = ( 0.2625000 0.5000000 0.2265353), wk = 0.0029412 k( 224) = ( 0.2750000 0.5000000 0.2265353), wk = 0.0029412 k( 225) = ( 0.2875000 0.5000000 0.2265353), wk = 0.0029412 k( 226) = ( 0.3000000 0.5000000 0.2265353), wk = 0.0029412 k( 227) = ( 0.3125000 0.5000000 0.2265353), wk = 0.0029412 k( 228) = ( 0.3250000 0.5000000 0.2265353), wk = 0.0029412 k( 229) = ( 0.3375000 0.5000000 0.2265353), wk = 0.0029412 k( 230) = ( 0.3500000 0.5000000 0.2265353), wk = 0.0029412 k( 231) = ( 0.3625000 0.5000000 0.2265353), wk = 0.0029412 k( 232) = ( 0.3750000 0.5000000 0.2265353), wk = 0.0029412 k( 233) = ( 0.3875000 0.5000000 0.2265353), wk = 0.0029412 k( 234) = ( 0.4000000 0.5000000 0.2265353), wk = 0.0029412 k( 235) = ( 0.4125000 0.5000000 0.2265353), wk = 0.0029412 k( 236) = ( 0.4250000 0.5000000 0.2265353), wk = 0.0029412 k( 237) = ( 0.4375000 0.5000000 0.2265353), wk = 0.0029412 k( 238) = ( 0.4500000 0.5000000 0.2265353), wk = 0.0029412 k( 239) = ( 0.4625000 0.5000000 0.2265353), wk = 0.0029412 k( 240) = ( 0.4750000 0.5000000 0.2265353), wk = 0.0029412 k( 241) = ( 0.4875000 0.5000000 0.2265353), wk = 0.0029412 k( 242) = ( 0.5000000 0.5000000 0.2265353), wk = 0.0029412 k( 243) = ( 0.5000000 0.5000000 0.2265353), wk = 0.0029412 k( 244) = ( 0.4912281 0.4912281 0.2265353), wk = 0.0029412 k( 245) = ( 0.4824561 0.4824561 0.2265353), wk = 0.0029412 k( 246) = ( 0.4736842 0.4736842 0.2265353), wk = 0.0029412 k( 247) = ( 0.4649123 0.4649123 0.2265353), wk = 0.0029412 k( 248) = ( 0.4561404 0.4561403 0.2265353), wk = 0.0029412 k( 249) = ( 0.4473684 0.4473684 0.2265353), wk = 0.0029412 k( 250) = ( 0.4385965 0.4385965 0.2265353), wk = 0.0029412 k( 251) = ( 0.4298246 0.4298246 0.2265353), wk = 0.0029412 k( 252) = ( 0.4210526 0.4210526 0.2265353), wk = 0.0029412 k( 253) = ( 0.4122807 0.4122807 0.2265353), wk = 0.0029412 k( 254) = ( 0.4035088 0.4035088 0.2265353), wk = 0.0029412 k( 255) = ( 0.3947368 0.3947368 0.2265353), wk = 0.0029412 k( 256) = ( 0.3859649 0.3859649 0.2265353), wk = 0.0029412 k( 257) = ( 0.3771930 0.3771930 0.2265353), wk = 0.0029412 k( 258) = ( 0.3684211 0.3684210 0.2265353), wk = 0.0029412 k( 259) = ( 0.3596491 0.3596491 0.2265353), wk = 0.0029412 k( 260) = ( 0.3508772 0.3508772 0.2265353), wk = 0.0029412 k( 261) = ( 0.3421053 0.3421053 0.2265353), wk = 0.0029412 k( 262) = ( 0.3333333 0.3333333 0.2265353), wk = 0.0029412 k( 263) = ( 0.3245614 0.3245614 0.2265353), wk = 0.0029412 k( 264) = ( 0.3157895 0.3157895 0.2265353), wk = 0.0029412 k( 265) = ( 0.3070175 0.3070175 0.2265353), wk = 0.0029412 k( 266) = ( 0.2982456 0.2982456 0.2265353), wk = 0.0029412 k( 267) = ( 0.2894737 0.2894737 0.2265353), wk = 0.0029412 k( 268) = ( 0.2807018 0.2807017 0.2265353), wk = 0.0029412 k( 269) = ( 0.2719298 0.2719298 0.2265353), wk = 0.0029412 k( 270) = ( 0.2631579 0.2631579 0.2265353), wk = 0.0029412 k( 271) = ( 0.2543860 0.2543860 0.2265353), wk = 0.0029412 k( 272) = ( 0.2456140 0.2456140 0.2265353), wk = 0.0029412 k( 273) = ( 0.2368421 0.2368421 0.2265353), wk = 0.0029412 k( 274) = ( 0.2280702 0.2280702 0.2265353), wk = 0.0029412 k( 275) = ( 0.2192983 0.2192982 0.2265353), wk = 0.0029412 k( 276) = ( 0.2105263 0.2105263 0.2265353), wk = 0.0029412 k( 277) = ( 0.2017544 0.2017544 0.2265353), wk = 0.0029412 k( 278) = ( 0.1929825 0.1929825 0.2265353), wk = 0.0029412 k( 279) = ( 0.1842105 0.1842105 0.2265353), wk = 0.0029412 k( 280) = ( 0.1754386 0.1754386 0.2265353), wk = 0.0029412 k( 281) = ( 0.1666667 0.1666667 0.2265353), wk = 0.0029412 k( 282) = ( 0.1578947 0.1578947 0.2265353), wk = 0.0029412 k( 283) = ( 0.1491228 0.1491228 0.2265353), wk = 0.0029412 k( 284) = ( 0.1403509 0.1403509 0.2265353), wk = 0.0029412 k( 285) = ( 0.1315790 0.1315790 0.2265353), wk = 0.0029412 k( 286) = ( 0.1228070 0.1228070 0.2265353), wk = 0.0029412 k( 287) = ( 0.1140351 0.1140351 0.2265353), wk = 0.0029412 k( 288) = ( 0.1052632 0.1052632 0.2265353), wk = 0.0029412 k( 289) = ( 0.0964912 0.0964912 0.2265353), wk = 0.0029412 k( 290) = ( 0.0877193 0.0877193 0.2265353), wk = 0.0029412 k( 291) = ( 0.0789474 0.0789474 0.2265353), wk = 0.0029412 k( 292) = ( 0.0701754 0.0701754 0.2265353), wk = 0.0029412 k( 293) = ( 0.0614035 0.0614035 0.2265353), wk = 0.0029412 k( 294) = ( 0.0526316 0.0526316 0.2265353), wk = 0.0029412 k( 295) = ( 0.0438597 0.0438596 0.2265353), wk = 0.0029412 k( 296) = ( 0.0350877 0.0350877 0.2265353), wk = 0.0029412 k( 297) = ( 0.0263158 0.0263158 0.2265353), wk = 0.0029412 k( 298) = ( 0.0175439 0.0175439 0.2265353), wk = 0.0029412 k( 299) = ( 0.0087719 0.0087719 0.2265353), wk = 0.0029412 k( 300) = ( 0.0000000 0.0000000 0.2265353), wk = 0.0029412 k( 301) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 302) = ( 0.0000000 0.5000000 0.0119229), wk = 0.0029412 k( 303) = ( 0.0000000 0.5000000 0.0238458), wk = 0.0029412 k( 304) = ( 0.0000000 0.5000000 0.0357687), wk = 0.0029412 k( 305) = ( 0.0000000 0.5000000 0.0476916), wk = 0.0029412 k( 306) = ( 0.0000000 0.5000000 0.0596145), wk = 0.0029412 k( 307) = ( 0.0000000 0.5000000 0.0715375), wk = 0.0029412 k( 308) = ( 0.0000000 0.5000000 0.0834604), wk = 0.0029412 k( 309) = ( 0.0000000 0.5000000 0.0953833), wk = 0.0029412 k( 310) = ( 0.0000000 0.5000000 0.1073062), wk = 0.0029412 k( 311) = ( 0.0000000 0.5000000 0.1192291), wk = 0.0029412 k( 312) = ( 0.0000000 0.5000000 0.1311520), wk = 0.0029412 k( 313) = ( 0.0000000 0.5000000 0.1430749), wk = 0.0029412 k( 314) = ( 0.0000000 0.5000000 0.1549978), wk = 0.0029412 k( 315) = ( 0.0000000 0.5000000 0.1669207), wk = 0.0029412 k( 316) = ( 0.0000000 0.5000000 0.1788436), wk = 0.0029412 k( 317) = ( 0.0000000 0.5000000 0.1907666), wk = 0.0029412 k( 318) = ( 0.0000000 0.5000000 0.2026895), wk = 0.0029412 k( 319) = ( 0.0000000 0.5000000 0.2146124), wk = 0.0029412 k( 320) = ( 0.0000000 0.5000000 0.2265353), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 322) = ( 0.5000000 0.5000000 0.0119229), wk = 0.0029412 k( 323) = ( 0.5000000 0.5000000 0.0238458), wk = 0.0029412 k( 324) = ( 0.5000000 0.5000000 0.0357687), wk = 0.0029412 k( 325) = ( 0.5000000 0.5000000 0.0476916), wk = 0.0029412 k( 326) = ( 0.5000000 0.5000000 0.0596145), wk = 0.0029412 k( 327) = ( 0.5000000 0.5000000 0.0715375), wk = 0.0029412 k( 328) = ( 0.5000000 0.5000000 0.0834604), wk = 0.0029412 k( 329) = ( 0.5000000 0.5000000 0.0953833), wk = 0.0029412 k( 330) = ( 0.5000000 0.5000000 0.1073062), wk = 0.0029412 k( 331) = ( 0.5000000 0.5000000 0.1192291), wk = 0.0029412 k( 332) = ( 0.5000000 0.5000000 0.1311520), wk = 0.0029412 k( 333) = ( 0.5000000 0.5000000 0.1430749), wk = 0.0029412 k( 334) = ( 0.5000000 0.5000000 0.1549978), wk = 0.0029412 k( 335) = ( 0.5000000 0.5000000 0.1669207), wk = 0.0029412 k( 336) = ( 0.5000000 0.5000000 0.1788436), wk = 0.0029412 k( 337) = ( 0.5000000 0.5000000 0.1907666), wk = 0.0029412 k( 338) = ( 0.5000000 0.5000000 0.2026895), wk = 0.0029412 k( 339) = ( 0.5000000 0.5000000 0.2146124), wk = 0.0029412 k( 340) = ( 0.5000000 0.5000000 0.2265353), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0029412 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0029412 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0029412 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0029412 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0029412 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029412 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0029412 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0029412 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0029412 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0029412 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0029412 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0029412 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0029412 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0029412 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0029412 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0029412 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0029412 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0029412 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0029412 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0029412 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0029412 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0029412 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0029412 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0029412 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0029412 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0029412 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0029412 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0029412 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029412 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0029412 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0029412 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0029412 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0029412 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0029412 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0029412 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0029412 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0029412 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0029412 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0029412 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0029412 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0029412 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0029412 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0029412 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0029412 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0029412 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0029412 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0029412 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0029412 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0029412 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0029412 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0029412 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0029412 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0029412 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0029412 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0029412 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0029412 k( 98) = ( 0.3684211 0.3684211 -0.0000000), wk = 0.0029412 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0029412 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0029412 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0029412 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0029412 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0029412 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0029412 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0029412 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0029412 k( 108) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0029412 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0029412 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0029412 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0029412 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0029412 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0029412 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0029412 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0029412 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0029412 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0029412 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0029412 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0029412 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0029412 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029412 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0029412 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0029412 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0029412 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0029412 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0029412 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0029412 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0029412 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0029412 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0029412 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0029412 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0029412 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0029412 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0029412 k( 135) = ( 0.0438597 0.0438597 -0.0000000), wk = 0.0029412 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0029412 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0029412 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0029412 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0029412 k( 159) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0029412 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 162) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0029412 k( 163) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0029412 k( 164) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0029412 k( 165) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0029412 k( 166) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0029412 k( 167) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0029412 k( 168) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0029412 k( 169) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0029412 k( 171) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0029412 k( 172) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0029412 k( 173) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0029412 k( 174) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0029412 k( 175) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0029412 k( 176) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0029412 k( 177) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0029412 k( 179) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0029412 k( 180) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0029412 k( 181) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0029412 k( 182) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0029412 k( 183) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0029412 k( 184) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0029412 k( 185) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0029412 k( 187) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0029412 k( 188) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0029412 k( 189) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0029412 k( 190) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0029412 k( 191) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0029412 k( 192) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0029412 k( 193) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0029412 k( 195) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0029412 k( 196) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0029412 k( 197) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0029412 k( 198) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0029412 k( 199) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0029412 k( 200) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0029412 k( 201) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 203) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0029412 k( 204) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0029412 k( 205) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0029412 k( 206) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0029412 k( 207) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0029412 k( 208) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0029412 k( 209) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0029412 k( 210) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0029412 k( 211) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0029412 k( 212) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0029412 k( 213) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0029412 k( 214) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0029412 k( 215) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0029412 k( 216) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0029412 k( 217) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0029412 k( 218) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0029412 k( 219) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0029412 k( 220) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0029412 k( 221) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0029412 k( 222) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0029412 k( 223) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0029412 k( 224) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0029412 k( 225) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0029412 k( 226) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0029412 k( 227) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0029412 k( 228) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0029412 k( 229) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0029412 k( 230) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0029412 k( 231) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0029412 k( 232) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0029412 k( 233) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0029412 k( 234) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0029412 k( 235) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0029412 k( 236) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0029412 k( 237) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0029412 k( 238) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0029412 k( 239) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0029412 k( 240) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0029412 k( 241) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0029412 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 244) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0029412 k( 245) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0029412 k( 246) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0029412 k( 247) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0029412 k( 248) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0029412 k( 249) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0029412 k( 250) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0029412 k( 251) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0029412 k( 252) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0029412 k( 253) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0029412 k( 254) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0029412 k( 255) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0029412 k( 256) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0029412 k( 257) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0029412 k( 258) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0029412 k( 259) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0029412 k( 260) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0029412 k( 261) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0029412 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 263) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0029412 k( 264) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0029412 k( 265) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0029412 k( 266) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0029412 k( 267) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0029412 k( 268) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0029412 k( 269) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0029412 k( 270) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0029412 k( 271) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0029412 k( 272) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0029412 k( 273) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0029412 k( 274) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0029412 k( 275) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0029412 k( 276) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0029412 k( 277) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0029412 k( 278) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0029412 k( 279) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0029412 k( 280) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0029412 k( 281) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029412 k( 282) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0029412 k( 283) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0029412 k( 284) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0029412 k( 285) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0029412 k( 286) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0029412 k( 287) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0029412 k( 288) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0029412 k( 289) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0029412 k( 290) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0029412 k( 291) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0029412 k( 292) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0029412 k( 293) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0029412 k( 294) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0029412 k( 295) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0029412 k( 296) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0029412 k( 297) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0029412 k( 298) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0029412 k( 299) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0029412 k( 300) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 301) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 302) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0029412 k( 303) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0029412 k( 304) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0029412 k( 305) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0029412 k( 306) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0029412 k( 307) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0029412 k( 308) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0029412 k( 309) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0029412 k( 310) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0029412 k( 311) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0029412 k( 312) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0029412 k( 313) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0029412 k( 314) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0029412 k( 315) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0029412 k( 316) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0029412 k( 317) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0029412 k( 318) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0029412 k( 319) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0029412 k( 320) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 322) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0029412 k( 323) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0029412 k( 324) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0029412 k( 325) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0029412 k( 326) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0029412 k( 327) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0029412 k( 328) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0029412 k( 329) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0029412 k( 330) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0029412 k( 331) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0029412 k( 332) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0029412 k( 333) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0029412 k( 334) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0029412 k( 335) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0029412 k( 336) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0029412 k( 337) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0029412 k( 338) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0029412 k( 339) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0029412 k( 340) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 Dense grid: 57869 G-vectors FFT dimensions: ( 40, 40, 81) Smooth grid: 43525 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 316, 42) NL pseudopotentials 0.41 Mb ( 158, 168) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1605) G-vector shells 0.01 Mb ( 778) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 316, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.22 Mb ( 168, 2, 42) The potential is recalculated from file : ./Zr2CuSb3.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.4 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.4 secs Computing kpt #: 16 total cpu time spent up to now is 14.2 secs Computing kpt #: 17 total cpu time spent up to now is 14.8 secs Computing kpt #: 18 total cpu time spent up to now is 15.5 secs Computing kpt #: 19 total cpu time spent up to now is 16.1 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.4 secs Computing kpt #: 22 total cpu time spent up to now is 18.1 secs Computing kpt #: 23 total cpu time spent up to now is 18.7 secs Computing kpt #: 24 total cpu time spent up to now is 19.3 secs Computing kpt #: 25 total cpu time spent up to now is 20.0 secs Computing kpt #: 26 total cpu time spent up to now is 20.7 secs Computing kpt #: 27 total cpu time spent up to now is 21.3 secs Computing kpt #: 28 total cpu time spent up to now is 21.9 secs Computing kpt #: 29 total cpu time spent up to now is 22.9 secs Computing kpt #: 30 total cpu time spent up to now is 23.6 secs Computing kpt #: 31 total cpu time spent up to now is 24.3 secs Computing kpt #: 32 total cpu time spent up to now is 24.9 secs Computing kpt #: 33 total cpu time spent up to now is 25.6 secs Computing kpt #: 34 total cpu time spent up to now is 26.3 secs Computing kpt #: 35 total cpu time spent up to now is 26.9 secs Computing kpt #: 36 total cpu time spent up to now is 27.6 secs Computing kpt #: 37 total cpu time spent up to now is 28.3 secs Computing kpt #: 38 total cpu time spent up to now is 29.0 secs Computing kpt #: 39 total cpu time spent up to now is 29.8 secs Computing kpt #: 40 total cpu time spent up to now is 30.6 secs Computing kpt #: 41 total cpu time spent up to now is 31.4 secs Computing kpt #: 42 total cpu time spent up to now is 32.1 secs Computing kpt #: 43 total cpu time spent up to now is 32.9 secs Computing kpt #: 44 total cpu time spent up to now is 33.7 secs Computing kpt #: 45 total cpu time spent up to now is 34.4 secs Computing kpt #: 46 total cpu time spent up to now is 35.2 secs Computing kpt #: 47 total cpu time spent up to now is 35.9 secs Computing kpt #: 48 total cpu time spent up to now is 36.7 secs Computing kpt #: 49 total cpu time spent up to now is 37.4 secs Computing kpt #: 50 total cpu time spent up to now is 38.1 secs Computing kpt #: 51 total cpu time spent up to now is 39.0 secs Computing kpt #: 52 total cpu time spent up to now is 39.7 secs Computing kpt #: 53 total cpu time spent up to now is 40.6 secs Computing kpt #: 54 total cpu time spent up to now is 41.3 secs Computing kpt #: 55 total cpu time spent up to now is 42.0 secs Computing kpt #: 56 total cpu time spent up to now is 42.8 secs Computing kpt #: 57 total cpu time spent up to now is 43.4 secs Computing kpt #: 58 total cpu time spent up to now is 44.2 secs Computing kpt #: 59 total cpu time spent up to now is 44.9 secs Computing kpt #: 60 total cpu time spent up to now is 45.7 secs Computing kpt #: 61 total cpu time spent up to now is 46.5 secs Computing kpt #: 62 total cpu time spent up to now is 47.2 secs Computing kpt #: 63 total cpu time spent up to now is 48.0 secs Computing kpt #: 64 total cpu time spent up to now is 48.9 secs Computing kpt #: 65 total cpu time spent up to now is 49.7 secs Computing kpt #: 66 total cpu time spent up to now is 50.5 secs Computing kpt #: 67 total cpu time spent up to now is 51.4 secs Computing kpt #: 68 total cpu time spent up to now is 52.4 secs Computing kpt #: 69 total cpu time spent up to now is 53.3 secs Computing kpt #: 70 total cpu time spent up to now is 54.2 secs Computing kpt #: 71 total cpu time spent up to now is 55.1 secs Computing kpt #: 72 total cpu time spent up to now is 56.0 secs Computing kpt #: 73 total cpu time spent up to now is 57.0 secs Computing kpt #: 74 total cpu time spent up to now is 57.9 secs Computing kpt #: 75 total cpu time spent up to now is 58.8 secs Computing kpt #: 76 total cpu time spent up to now is 60.0 secs Computing kpt #: 77 total cpu time spent up to now is 60.9 secs Computing kpt #: 78 total cpu time spent up to now is 61.9 secs Computing kpt #: 79 total cpu time spent up to now is 62.9 secs Computing kpt #: 80 total cpu time spent up to now is 63.9 secs Computing kpt #: 81 total cpu time spent up to now is 64.8 secs Computing kpt #: 82 total cpu time spent up to now is 65.7 secs Computing kpt #: 83 total cpu time spent up to now is 66.6 secs Computing kpt #: 84 total cpu time spent up to now is 67.6 secs Computing kpt #: 85 total cpu time spent up to now is 68.6 secs Computing kpt #: 86 total cpu time spent up to now is 69.6 secs Computing kpt #: 87 total cpu time spent up to now is 70.5 secs Computing kpt #: 88 total cpu time spent up to now is 71.6 secs Computing kpt #: 89 total cpu time spent up to now is 72.7 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.4 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.1 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.7 secs Computing kpt #: 93 total cpu time spent up to now is 79.0 secs Computing kpt #: 94 total cpu time spent up to now is 80.4 secs Computing kpt #: 95 total cpu time spent up to now is 81.8 secs Computing kpt #: 96 total cpu time spent up to now is 83.2 secs Computing kpt #: 97 total cpu time spent up to now is 84.3 secs Computing kpt #: 98 total cpu time spent up to now is 85.5 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.1 secs Computing kpt #: 100 total cpu time spent up to now is 88.4 secs Computing kpt #: 101 total cpu time spent up to now is 89.1 secs Computing kpt #: 102 total cpu time spent up to now is 89.9 secs Computing kpt #: 103 total cpu time spent up to now is 90.6 secs Computing kpt #: 104 total cpu time spent up to now is 91.2 secs Computing kpt #: 105 total cpu time spent up to now is 91.9 secs Computing kpt #: 106 total cpu time spent up to now is 92.6 secs Computing kpt #: 107 total cpu time spent up to now is 93.3 secs Computing kpt #: 108 total cpu time spent up to now is 94.0 secs Computing kpt #: 109 total cpu time spent up to now is 94.7 secs Computing kpt #: 110 total cpu time spent up to now is 95.4 secs Computing kpt #: 111 total cpu time spent up to now is 96.0 secs Computing kpt #: 112 total cpu time spent up to now is 96.6 secs Computing kpt #: 113 total cpu time spent up to now is 97.3 secs Computing kpt #: 114 total cpu time spent up to now is 97.9 secs Computing kpt #: 115 total cpu time spent up to now is 98.6 secs Computing kpt #: 116 total cpu time spent up to now is 99.3 secs Computing kpt #: 117 total cpu time spent up to now is 100.0 secs Computing kpt #: 118 total cpu time spent up to now is 100.6 secs Computing kpt #: 119 total cpu time spent up to now is 101.4 secs Computing kpt #: 120 total cpu time spent up to now is 102.0 secs Computing kpt #: 121 total cpu time spent up to now is 102.8 secs Computing kpt #: 122 total cpu time spent up to now is 103.5 secs Computing kpt #: 123 total cpu time spent up to now is 104.2 secs Computing kpt #: 124 total cpu time spent up to now is 104.8 secs Computing kpt #: 125 total cpu time spent up to now is 105.6 secs Computing kpt #: 126 total cpu time spent up to now is 106.3 secs Computing kpt #: 127 total cpu time spent up to now is 107.0 secs Computing kpt #: 128 total cpu time spent up to now is 107.7 secs Computing kpt #: 129 total cpu time spent up to now is 108.4 secs Computing kpt #: 130 total cpu time spent up to now is 109.1 secs Computing kpt #: 131 total cpu time spent up to now is 109.8 secs Computing kpt #: 132 total cpu time spent up to now is 110.5 secs Computing kpt #: 133 total cpu time spent up to now is 111.2 secs Computing kpt #: 134 total cpu time spent up to now is 112.0 secs Computing kpt #: 135 total cpu time spent up to now is 112.8 secs Computing kpt #: 136 total cpu time spent up to now is 113.5 secs Computing kpt #: 137 total cpu time spent up to now is 114.3 secs Computing kpt #: 138 total cpu time spent up to now is 115.1 secs Computing kpt #: 139 total cpu time spent up to now is 115.8 secs Computing kpt #: 140 total cpu time spent up to now is 116.7 secs Computing kpt #: 141 total cpu time spent up to now is 117.5 secs Computing kpt #: 142 total cpu time spent up to now is 118.3 secs Computing kpt #: 143 total cpu time spent up to now is 119.1 secs Computing kpt #: 144 total cpu time spent up to now is 119.9 secs Computing kpt #: 145 total cpu time spent up to now is 120.6 secs Computing kpt #: 146 total cpu time spent up to now is 121.5 secs Computing kpt #: 147 total cpu time spent up to now is 122.3 secs Computing kpt #: 148 total cpu time spent up to now is 123.3 secs Computing kpt #: 149 total cpu time spent up to now is 124.1 secs Computing kpt #: 150 total cpu time spent up to now is 125.0 secs Computing kpt #: 151 total cpu time spent up to now is 126.1 secs Computing kpt #: 152 total cpu time spent up to now is 126.9 secs Computing kpt #: 153 total cpu time spent up to now is 127.7 secs Computing kpt #: 154 total cpu time spent up to now is 128.5 secs Computing kpt #: 155 total cpu time spent up to now is 129.3 secs Computing kpt #: 156 total cpu time spent up to now is 130.1 secs Computing kpt #: 157 total cpu time spent up to now is 130.9 secs Computing kpt #: 158 total cpu time spent up to now is 131.6 secs Computing kpt #: 159 total cpu time spent up to now is 132.4 secs Computing kpt #: 160 total cpu time spent up to now is 133.2 secs Computing kpt #: 161 total cpu time spent up to now is 133.9 secs Computing kpt #: 162 total cpu time spent up to now is 134.7 secs Computing kpt #: 163 total cpu time spent up to now is 135.4 secs Computing kpt #: 164 total cpu time spent up to now is 136.1 secs Computing kpt #: 165 total cpu time spent up to now is 136.8 secs Computing kpt #: 166 total cpu time spent up to now is 137.4 secs Computing kpt #: 167 total cpu time spent up to now is 138.0 secs Computing kpt #: 168 total cpu time spent up to now is 138.7 secs Computing kpt #: 169 total cpu time spent up to now is 139.3 secs Computing kpt #: 170 total cpu time spent up to now is 139.9 secs Computing kpt #: 171 total cpu time spent up to now is 140.5 secs Computing kpt #: 172 total cpu time spent up to now is 141.2 secs Computing kpt #: 173 total cpu time spent up to now is 141.8 secs Computing kpt #: 174 total cpu time spent up to now is 142.4 secs Computing kpt #: 175 total cpu time spent up to now is 143.0 secs Computing kpt #: 176 total cpu time spent up to now is 143.6 secs Computing kpt #: 177 total cpu time spent up to now is 144.2 secs Computing kpt #: 178 total cpu time spent up to now is 144.8 secs Computing kpt #: 179 total cpu time spent up to now is 145.5 secs Computing kpt #: 180 total cpu time spent up to now is 146.2 secs Computing kpt #: 181 total cpu time spent up to now is 146.9 secs Computing kpt #: 182 total cpu time spent up to now is 147.6 secs Computing kpt #: 183 total cpu time spent up to now is 148.3 secs Computing kpt #: 184 total cpu time spent up to now is 149.0 secs Computing kpt #: 185 total cpu time spent up to now is 149.7 secs Computing kpt #: 186 total cpu time spent up to now is 150.4 secs Computing kpt #: 187 total cpu time spent up to now is 151.1 secs Computing kpt #: 188 total cpu time spent up to now is 151.8 secs Computing kpt #: 189 total cpu time spent up to now is 152.4 secs Computing kpt #: 190 total cpu time spent up to now is 153.1 secs Computing kpt #: 191 total cpu time spent up to now is 153.8 secs Computing kpt #: 192 total cpu time spent up to now is 154.5 secs Computing kpt #: 193 total cpu time spent up to now is 155.2 secs Computing kpt #: 194 total cpu time spent up to now is 155.9 secs Computing kpt #: 195 total cpu time spent up to now is 156.6 secs Computing kpt #: 196 total cpu time spent up to now is 157.2 secs Computing kpt #: 197 total cpu time spent up to now is 158.0 secs Computing kpt #: 198 total cpu time spent up to now is 158.6 secs Computing kpt #: 199 total cpu time spent up to now is 159.4 secs Computing kpt #: 200 total cpu time spent up to now is 160.2 secs Computing kpt #: 201 total cpu time spent up to now is 160.9 secs Computing kpt #: 202 total cpu time spent up to now is 161.6 secs Computing kpt #: 203 total cpu time spent up to now is 162.3 secs Computing kpt #: 204 total cpu time spent up to now is 163.0 secs Computing kpt #: 205 total cpu time spent up to now is 163.9 secs Computing kpt #: 206 total cpu time spent up to now is 164.9 secs Computing kpt #: 207 total cpu time spent up to now is 165.6 secs Computing kpt #: 208 total cpu time spent up to now is 166.4 secs Computing kpt #: 209 total cpu time spent up to now is 167.3 secs Computing kpt #: 210 total cpu time spent up to now is 168.1 secs Computing kpt #: 211 total cpu time spent up to now is 168.9 secs Computing kpt #: 212 total cpu time spent up to now is 169.7 secs Computing kpt #: 213 total cpu time spent up to now is 170.4 secs Computing kpt #: 214 total cpu time spent up to now is 171.2 secs Computing kpt #: 215 total cpu time spent up to now is 172.0 secs Computing kpt #: 216 total cpu time spent up to now is 172.8 secs Computing kpt #: 217 total cpu time spent up to now is 173.7 secs Computing kpt #: 218 total cpu time spent up to now is 174.6 secs Computing kpt #: 219 total cpu time spent up to now is 175.4 secs Computing kpt #: 220 total cpu time spent up to now is 176.4 secs Computing kpt #: 221 total cpu time spent up to now is 177.4 secs Computing kpt #: 222 total cpu time spent up to now is 178.3 secs Computing kpt #: 223 total cpu time spent up to now is 179.2 secs Computing kpt #: 224 total cpu time spent up to now is 180.1 secs Computing kpt #: 225 total cpu time spent up to now is 181.1 secs Computing kpt #: 226 total cpu time spent up to now is 182.1 secs Computing kpt #: 227 total cpu time spent up to now is 183.0 secs Computing kpt #: 228 total cpu time spent up to now is 184.0 secs Computing kpt #: 229 total cpu time spent up to now is 185.1 secs Computing kpt #: 230 total cpu time spent up to now is 186.2 secs Computing kpt #: 231 total cpu time spent up to now is 187.2 secs Computing kpt #: 232 total cpu time spent up to now is 188.1 secs Computing kpt #: 233 total cpu time spent up to now is 189.0 secs Computing kpt #: 234 total cpu time spent up to now is 189.9 secs Computing kpt #: 235 total cpu time spent up to now is 190.8 secs Computing kpt #: 236 total cpu time spent up to now is 191.7 secs Computing kpt #: 237 total cpu time spent up to now is 192.6 secs Computing kpt #: 238 total cpu time spent up to now is 193.4 secs Computing kpt #: 239 total cpu time spent up to now is 194.4 secs Computing kpt #: 240 total cpu time spent up to now is 195.2 secs Computing kpt #: 241 total cpu time spent up to now is 196.0 secs Computing kpt #: 242 total cpu time spent up to now is 196.8 secs Computing kpt #: 243 total cpu time spent up to now is 197.7 secs Computing kpt #: 244 total cpu time spent up to now is 198.5 secs Computing kpt #: 245 total cpu time spent up to now is 199.4 secs Computing kpt #: 246 total cpu time spent up to now is 200.2 secs Computing kpt #: 247 total cpu time spent up to now is 201.2 secs Computing kpt #: 248 total cpu time spent up to now is 202.1 secs Computing kpt #: 249 total cpu time spent up to now is 203.0 secs Computing kpt #: 250 total cpu time spent up to now is 203.9 secs Computing kpt #: 251 total cpu time spent up to now is 204.8 secs Computing kpt #: 252 total cpu time spent up to now is 205.7 secs Computing kpt #: 253 total cpu time spent up to now is 206.6 secs Computing kpt #: 254 total cpu time spent up to now is 207.6 secs Computing kpt #: 255 total cpu time spent up to now is 208.5 secs Computing kpt #: 256 total cpu time spent up to now is 209.4 secs Computing kpt #: 257 total cpu time spent up to now is 210.1 secs Computing kpt #: 258 total cpu time spent up to now is 211.0 secs Computing kpt #: 259 total cpu time spent up to now is 211.8 secs Computing kpt #: 260 total cpu time spent up to now is 212.5 secs Computing kpt #: 261 total cpu time spent up to now is 213.5 secs Computing kpt #: 262 total cpu time spent up to now is 214.3 secs Computing kpt #: 263 total cpu time spent up to now is 215.1 secs Computing kpt #: 264 total cpu time spent up to now is 216.3 secs Computing kpt #: 265 total cpu time spent up to now is 217.4 secs Computing kpt #: 266 total cpu time spent up to now is 218.3 secs Computing kpt #: 267 total cpu time spent up to now is 219.2 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.7 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.4 secs Computing kpt #: 270 total cpu time spent up to now is 223.3 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.9 secs Computing kpt #: 272 total cpu time spent up to now is 225.8 secs Computing kpt #: 273 total cpu time spent up to now is 226.9 secs Computing kpt #: 274 total cpu time spent up to now is 227.6 secs Computing kpt #: 275 total cpu time spent up to now is 228.4 secs Computing kpt #: 276 total cpu time spent up to now is 229.2 secs Computing kpt #: 277 total cpu time spent up to now is 229.9 secs Computing kpt #: 278 total cpu time spent up to now is 230.6 secs Computing kpt #: 279 total cpu time spent up to now is 231.3 secs Computing kpt #: 280 total cpu time spent up to now is 232.0 secs Computing kpt #: 281 total cpu time spent up to now is 232.6 secs Computing kpt #: 282 total cpu time spent up to now is 233.3 secs Computing kpt #: 283 total cpu time spent up to now is 233.9 secs Computing kpt #: 284 total cpu time spent up to now is 234.6 secs Computing kpt #: 285 total cpu time spent up to now is 235.2 secs Computing kpt #: 286 total cpu time spent up to now is 235.8 secs Computing kpt #: 287 total cpu time spent up to now is 236.4 secs Computing kpt #: 288 total cpu time spent up to now is 237.0 secs Computing kpt #: 289 total cpu time spent up to now is 237.6 secs Computing kpt #: 290 total cpu time spent up to now is 238.2 secs Computing kpt #: 291 total cpu time spent up to now is 238.8 secs Computing kpt #: 292 total cpu time spent up to now is 239.4 secs Computing kpt #: 293 total cpu time spent up to now is 240.1 secs Computing kpt #: 294 total cpu time spent up to now is 240.7 secs Computing kpt #: 295 total cpu time spent up to now is 241.4 secs Computing kpt #: 296 total cpu time spent up to now is 242.0 secs Computing kpt #: 297 total cpu time spent up to now is 242.7 secs Computing kpt #: 298 total cpu time spent up to now is 243.4 secs Computing kpt #: 299 total cpu time spent up to now is 244.3 secs Computing kpt #: 300 total cpu time spent up to now is 245.1 secs Computing kpt #: 301 total cpu time spent up to now is 245.9 secs Computing kpt #: 302 total cpu time spent up to now is 246.7 secs Computing kpt #: 303 total cpu time spent up to now is 247.4 secs Computing kpt #: 304 total cpu time spent up to now is 248.1 secs Computing kpt #: 305 total cpu time spent up to now is 248.9 secs Computing kpt #: 306 total cpu time spent up to now is 249.7 secs Computing kpt #: 307 total cpu time spent up to now is 250.5 secs Computing kpt #: 308 total cpu time spent up to now is 251.2 secs Computing kpt #: 309 total cpu time spent up to now is 251.9 secs Computing kpt #: 310 total cpu time spent up to now is 252.7 secs Computing kpt #: 311 total cpu time spent up to now is 253.4 secs Computing kpt #: 312 total cpu time spent up to now is 254.1 secs Computing kpt #: 313 total cpu time spent up to now is 254.8 secs Computing kpt #: 314 total cpu time spent up to now is 255.6 secs Computing kpt #: 315 total cpu time spent up to now is 256.3 secs Computing kpt #: 316 total cpu time spent up to now is 257.0 secs Computing kpt #: 317 total cpu time spent up to now is 257.7 secs Computing kpt #: 318 total cpu time spent up to now is 258.4 secs Computing kpt #: 319 total cpu time spent up to now is 259.2 secs Computing kpt #: 320 total cpu time spent up to now is 260.1 secs Computing kpt #: 321 total cpu time spent up to now is 261.0 secs Computing kpt #: 322 total cpu time spent up to now is 262.0 secs Computing kpt #: 323 total cpu time spent up to now is 262.9 secs Computing kpt #: 324 total cpu time spent up to now is 263.9 secs Computing kpt #: 325 total cpu time spent up to now is 264.9 secs Computing kpt #: 326 total cpu time spent up to now is 265.9 secs Computing kpt #: 327 total cpu time spent up to now is 266.9 secs Computing kpt #: 328 total cpu time spent up to now is 268.1 secs Computing kpt #: 329 total cpu time spent up to now is 269.2 secs Computing kpt #: 330 total cpu time spent up to now is 270.2 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.0 secs Computing kpt #: 332 total cpu time spent up to now is 273.6 secs Computing kpt #: 333 total cpu time spent up to now is 274.7 secs Computing kpt #: 334 total cpu time spent up to now is 275.9 secs Computing kpt #: 335 total cpu time spent up to now is 276.9 secs Computing kpt #: 336 total cpu time spent up to now is 277.9 secs Computing kpt #: 337 total cpu time spent up to now is 278.8 secs Computing kpt #: 338 total cpu time spent up to now is 279.6 secs Computing kpt #: 339 total cpu time spent up to now is 280.5 secs Computing kpt #: 340 total cpu time spent up to now is 281.4 secs ethr = 2.94E-08, avg # of iterations = 35.4 total cpu time spent up to now is 281.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5465 PWs) bands (ev): -2.7788 -2.7788 -1.4729 -1.4729 -0.2869 -0.2869 4.7312 4.7312 5.2555 5.2555 5.5610 5.5610 5.6936 5.6936 5.8006 5.8006 5.8863 5.8863 6.0700 6.0700 6.6977 6.6977 6.8354 6.8354 7.2301 7.2301 7.5546 7.5546 7.6451 7.6451 7.6905 7.6905 9.0655 9.0655 9.4041 9.4041 9.5742 9.5742 10.0845 10.0845 10.0928 10.0928 k = 0.0000 0.0125-0.0000 ( 5453 PWs) bands (ev): -2.7773 -2.7773 -1.4720 -1.4717 -0.2860 -0.2860 4.7321 4.7324 5.2491 5.2555 5.5532 5.5635 5.6917 5.6967 5.7981 5.8007 5.8844 5.8869 6.0640 6.0756 6.6931 6.7007 6.8256 6.8447 7.2069 7.2077 7.5373 7.5720 7.6502 7.6584 7.7003 7.7028 9.0539 9.0702 9.3989 9.4015 9.5735 9.5777 10.0743 10.0795 10.0967 10.0972 k = 0.0000 0.0250-0.0000 ( 5453 PWs) bands (ev): -2.7730 -2.7729 -1.4690 -1.4684 -0.2832 -0.2831 4.7352 4.7357 5.2363 5.2487 5.5409 5.5604 5.6905 5.7009 5.7925 5.7984 5.8810 5.8862 6.0578 6.0809 6.6872 6.7011 6.8164 6.8520 7.1470 7.1512 7.5277 7.5794 7.6618 7.6687 7.7433 7.7439 9.0357 9.0677 9.3860 9.3912 9.5755 9.5835 10.0594 10.0632 10.1001 10.1064 k = 0.0000 0.0375-0.0000 ( 5457 PWs) bands (ev): -2.7657 -2.7656 -1.4640 -1.4631 -0.2784 -0.2784 4.7402 4.7412 5.2168 5.2347 5.5258 5.5520 5.6896 5.7056 5.7838 5.7937 5.8763 5.8844 6.0514 6.0858 6.6798 6.6979 6.8084 6.8553 7.0690 7.0768 7.5219 7.5823 7.6675 7.6736 7.8039 7.8108 9.0112 9.0580 9.3655 9.3734 9.5805 9.5913 10.0406 10.0416 10.1045 10.1166 k = 0.0000 0.0500-0.0000 ( 5453 PWs) bands (ev): -2.7555 -2.7554 -1.4568 -1.4556 -0.2719 -0.2718 4.7470 4.7488 5.1901 5.2128 5.5090 5.5393 5.6885 5.7100 5.7716 5.7862 5.8704 5.8815 6.0452 6.0906 6.6698 6.6897 6.7994 6.8477 6.9921 6.9982 7.5172 7.5835 7.6722 7.6772 7.8711 7.8860 8.9812 9.0408 9.3379 9.3489 9.5883 9.6008 10.0170 10.0192 10.1112 10.1280 k = 0.0000 0.0625-0.0000 ( 5453 PWs) bands (ev): -2.7424 -2.7423 -1.4476 -1.4461 -0.2635 -0.2634 4.7553 4.7584 5.1558 5.1827 5.4913 5.5232 5.6866 5.7137 5.7562 5.7752 5.8637 5.8773 6.0398 6.0952 6.6537 6.6743 6.7808 6.8118 6.9325 6.9438 7.5124 7.5829 7.6777 7.6807 7.9400 7.9618 8.9463 9.0163 9.3038 9.3187 9.5986 9.6117 9.9917 9.9971 10.1203 10.1404 k = 0.0000 0.0750-0.0000 ( 5463 PWs) bands (ev): -2.7264 -2.7262 -1.4363 -1.4345 -0.2535 -0.2533 4.7647 4.7700 5.1133 5.1445 5.4732 5.5044 5.6836 5.7163 5.7376 5.7602 5.8561 5.8717 6.0355 6.0997 6.6200 6.6423 6.7465 6.7561 6.8990 6.9312 7.5068 7.5798 7.6846 7.6848 8.0080 8.0352 8.9076 8.9846 9.2642 9.2842 9.6109 9.6238 9.9676 9.9758 10.1318 10.1538 k = 0.0000 0.0875-0.0000 ( 5459 PWs) bands (ev): -2.7076 -2.7074 -1.4230 -1.4209 -0.2418 -0.2416 4.7743 4.7834 5.0626 5.0991 5.4540 5.4833 5.6790 5.7163 5.7170 5.7415 5.8475 5.8650 6.0328 6.1040 6.5538 6.5791 6.7186 6.7197 6.8931 6.9331 7.4995 7.5735 7.6901 7.6932 8.0734 8.1043 8.8662 8.9460 9.2205 9.2472 9.6250 9.6370 9.9456 9.9564 10.1452 10.1681 k = 0.0000 0.1000-0.0000 ( 5453 PWs) bands (ev): -2.6859 -2.6856 -1.4078 -1.4054 -0.2286 -0.2284 4.7821 4.7983 5.0038 5.0489 5.4329 5.4596 5.6722 5.6928 5.7096 5.7254 5.8374 5.8572 6.0318 6.1080 6.4662 6.4941 6.7046 6.7060 6.8992 6.9397 7.4896 7.5634 7.6971 7.7038 8.1351 8.1672 8.8233 8.9010 9.1744 9.2098 9.6404 9.6510 9.9265 9.9395 10.1605 10.1833 k = 0.0000 0.1125-0.0000 ( 5453 PWs) bands (ev): -2.6614 -2.6611 -1.3905 -1.3879 -0.2140 -0.2138 4.7841 4.8142 4.9378 4.9988 5.4082 5.4326 5.6589 5.6710 5.6848 5.7214 5.8257 5.8488 6.0324 6.1112 6.3747 6.4040 6.6989 6.7018 6.9099 6.9478 7.4763 7.5487 7.7065 7.7167 8.1922 8.2224 8.7801 8.8501 9.1285 9.1741 9.6571 9.6660 9.9102 9.9251 10.1772 10.1992 k = 0.0000 0.1250-0.0000 ( 5457 PWs) bands (ev): -2.6340 -2.6337 -1.3714 -1.3684 -0.1983 -0.1980 4.7710 4.8261 4.8699 4.9582 5.3777 5.4007 5.6328 5.6537 5.6574 5.7186 5.8123 5.8403 6.0343 6.1121 6.2895 6.3176 6.6978 6.7024 6.9224 6.9561 7.4589 7.5288 7.7190 7.7323 8.2438 8.2677 8.7377 8.7941 9.0856 9.1421 9.6748 9.6820 9.8967 9.9130 10.1950 10.2155 k = 0.0000 0.1375-0.0000 ( 5449 PWs) bands (ev): -2.6039 -2.6035 -1.3504 -1.3471 -0.1814 -0.1812 4.7326 4.7769 4.8580 4.9383 5.3391 5.3620 5.6022 5.6198 5.6440 5.7136 5.7979 5.8321 6.0369 6.1063 6.2197 6.2401 6.6992 6.7064 6.9351 6.9638 7.4373 7.5035 7.7351 7.7507 8.2891 8.3012 8.6967 8.7336 9.0492 9.1155 9.6937 9.6992 9.8856 9.9032 10.2136 10.2318 k = 0.0000 0.1500-0.0000 ( 5441 PWs) bands (ev): -2.5711 -2.5706 -1.3275 -1.3240 -0.1637 -0.1635 4.6707 4.6939 4.8749 4.9372 5.2903 5.3142 5.5707 5.5846 5.6287 5.7047 5.7842 5.8246 6.0393 6.0837 6.1755 6.1787 6.7015 6.7125 6.9471 6.9702 7.4119 7.4727 7.7549 7.7721 8.3209 8.3274 8.6569 8.6696 9.0228 9.0957 9.7139 9.7178 9.8765 9.8951 10.2325 10.2476 k = 0.0000 0.1625-0.0000 ( 5433 PWs) bands (ev): -2.5355 -2.5350 -1.3029 -1.2991 -0.1454 -0.1452 4.5948 4.6054 4.8924 4.9446 5.2310 5.2560 5.5398 5.5502 5.6111 5.6903 5.7734 5.8181 6.0397 6.0456 6.1262 6.1660 6.7034 6.7198 6.9579 6.9749 7.3837 7.4373 7.7786 7.7966 8.3260 8.3583 8.6028 8.6178 9.0087 9.0833 9.7355 9.7381 9.8692 9.8886 10.2512 10.2615 k = 0.0000 0.1750-0.0000 ( 5445 PWs) bands (ev): -2.4972 -2.4967 -1.2766 -1.2725 -0.1268 -0.1265 4.5115 4.5137 4.9063 4.9495 5.1665 5.1895 5.5106 5.5178 5.5915 5.6705 5.7663 5.8126 6.0084 6.0345 6.0950 6.1647 6.7032 6.7270 6.9669 6.9777 7.3547 7.3986 7.8060 7.8244 8.3169 8.3817 8.5341 8.5795 9.0075 9.0784 9.7588 9.7603 9.8633 9.8835 10.2686 10.2717 k = 0.0000 0.1875-0.0000 ( 5445 PWs) bands (ev): -2.4564 -2.4558 -1.2487 -1.2443 -0.1080 -0.1077 4.4201 4.4242 4.9085 4.9343 5.1138 5.1232 5.4833 5.4881 5.5702 5.6472 5.7624 5.8080 5.9784 6.0209 6.0823 6.1666 6.6991 6.7328 6.9737 6.9786 7.3269 7.3588 7.8370 7.8552 8.2950 8.3975 8.4648 8.5428 9.0170 9.0800 9.7840 9.7845 9.8586 9.8795 10.2755 10.2827 k = 0.0000 0.2000-0.0000 ( 5449 PWs) bands (ev): -2.4129 -2.4122 -1.2193 -1.2145 -0.0895 -0.0892 4.3256 4.3350 4.8776 4.8809 5.0775 5.0955 5.4577 5.4607 5.5474 5.6222 5.7605 5.8043 5.9560 6.0045 6.0798 6.1690 6.6892 6.7354 6.9780 6.9783 7.3028 7.3210 7.8712 7.8889 8.2619 8.3879 8.4140 8.5089 9.0340 9.0870 9.8105 9.8109 9.8552 9.8770 10.2717 10.2907 k = 0.0000 0.2125-0.0000 ( 5447 PWs) bands (ev): -2.3669 -2.3662 -1.1884 -1.1833 -0.0716 -0.0713 4.2314 4.2452 4.7884 4.8124 5.0659 5.1046 5.4334 5.4352 5.5230 5.5965 5.7599 5.8012 5.9401 5.9898 6.0802 6.1704 6.6722 6.7329 6.9775 6.9797 7.2844 7.2887 7.9084 7.9253 8.2199 8.3210 8.4150 8.4787 9.0552 9.0976 9.8358 9.8361 9.8566 9.8784 10.2624 10.2908 k = 0.0000 0.2250-0.0000 ( 5451 PWs) bands (ev): -2.3185 -2.3176 -1.1562 -1.1508 -0.0547 -0.0544 4.1382 4.1562 4.6847 4.7187 5.0744 5.1248 5.4102 5.4111 5.4971 5.5706 5.7600 5.7987 5.9292 5.9774 6.0805 6.1694 6.6481 6.7238 6.9774 6.9796 7.2646 7.2727 7.9479 7.9636 8.1716 8.2516 8.4143 8.4518 9.0777 9.1101 9.8417 9.8515 9.8802 9.8931 10.2520 10.2851 k = 0.0000 0.2375-0.0000 ( 5443 PWs) bands (ev): -2.2676 -2.2667 -1.1228 -1.1171 -0.0391 -0.0389 4.0469 4.0690 4.5748 4.6144 5.0900 5.1493 5.3879 5.3881 5.4694 5.5449 5.7606 5.7966 5.9223 5.9668 6.0793 6.1642 6.6194 6.7080 6.9786 6.9787 7.2505 7.2679 7.9890 8.0018 8.1211 8.1838 8.4097 8.4273 9.0994 9.1227 9.8390 9.8536 9.9151 9.9245 10.2443 10.2784 k = 0.0000 0.2500-0.0000 ( 5445 PWs) bands (ev): -2.2144 -2.2134 -1.0884 -1.0824 -0.0254 -0.0253 3.9583 3.9843 4.4624 4.5061 5.1070 5.1751 5.3660 5.3664 5.4399 5.5192 5.7615 5.7947 5.9186 5.9569 6.0755 6.1526 6.5901 6.6871 6.9783 6.9813 7.2460 7.2692 8.0238 8.0277 8.0861 8.1214 8.4016 8.4043 9.1186 9.1342 9.8350 9.8510 9.9540 9.9635 10.2416 10.2745 k = 0.0000 0.2625-0.0000 ( 5445 PWs) bands (ev): -2.1590 -2.1578 -1.0530 -1.0467 -0.0139 -0.0139 3.8732 3.9032 4.3498 4.3969 5.1224 5.2002 5.3446 5.3458 5.4087 5.4938 5.7626 5.7930 5.9173 5.9466 6.0687 6.1324 6.5652 6.6646 6.9791 6.9851 7.2497 7.2758 7.9876 8.0281 8.1003 8.1094 8.3817 8.3903 9.1343 9.1434 9.8300 9.8466 9.9961 10.0071 10.2454 10.2755 k = 0.0000 0.2750-0.0000 ( 5441 PWs) bands (ev): -2.1014 -2.1001 -1.0170 -1.0103 -0.0053 -0.0052 3.7920 3.8262 4.2384 4.2889 5.1338 5.2223 5.3239 5.3256 5.3772 5.4692 5.7638 5.7914 5.9178 5.9348 6.0591 6.1027 6.5489 6.6450 6.9813 6.9898 7.2597 7.2864 7.9324 7.9730 8.1371 8.1521 8.3593 8.3765 9.1458 9.1498 9.8242 9.8409 10.0411 10.0544 10.2563 10.2823 k = 0.0000 0.2875-0.0000 ( 5447 PWs) bands (ev): -2.0417 -2.0403 -0.9804 -0.9734 0.0000 0.0003 3.7152 3.7538 4.1295 4.1835 5.1384 5.2358 5.3040 5.3042 5.3512 5.4465 5.7649 5.7898 5.9195 5.9198 6.0479 6.0645 6.5432 6.6318 6.9846 6.9950 7.2743 7.3002 7.8750 7.9120 8.1809 8.1965 8.3378 8.3615 9.1528 9.1530 9.8173 9.8340 10.0886 10.1047 10.2743 10.2952 k = 0.0000 0.3000-0.0000 ( 5451 PWs) bands (ev): -1.9801 -1.9786 -0.9436 -0.9362 0.0017 0.0021 3.6431 3.6864 4.0244 4.0822 5.1330 5.2297 5.2796 5.2847 5.3427 5.4276 5.7660 5.7880 5.9010 5.9219 6.0209 6.0368 6.5480 6.6272 6.9889 7.0007 7.2921 7.3160 7.8177 7.8519 8.2209 8.2338 8.3232 8.3492 9.1526 9.1559 9.8093 9.8258 10.1382 10.1578 10.2993 10.3141 k = 0.0000 0.3125-0.0000 ( 5453 PWs) bands (ev): -1.9167 -1.9150 -0.9067 -0.8990 -0.0008 -0.0001 3.5757 3.6240 3.9244 3.9863 5.1144 5.1954 5.2593 5.2663 5.3518 5.4144 5.7666 5.7859 5.8787 5.9234 5.9769 6.0276 6.5620 6.6317 6.9940 7.0070 7.3121 7.3330 7.7614 7.7938 8.2420 8.2437 8.3366 8.3517 9.1492 9.1549 9.7998 9.8161 10.1894 10.2130 10.3307 10.3383 k = 0.0000 0.3250-0.0000 ( 5449 PWs) bands (ev): -1.8517 -1.8498 -0.8702 -0.8619 -0.0077 -0.0066 3.5125 3.5657 3.8315 3.8975 5.0812 5.1427 5.2427 5.2487 5.3686 5.4079 5.7666 5.7828 5.8546 5.9138 5.9463 6.0206 6.5836 6.6451 7.0002 7.0141 7.3332 7.3502 7.7065 7.7382 8.2204 8.2373 8.3776 8.3805 9.1431 9.1505 9.7890 9.8049 10.2417 10.2698 10.3670 10.3675 k = 0.0000 0.3375-0.0000 ( 5451 PWs) bands (ev): -1.7852 -1.7831 -0.8342 -0.8255 -0.0192 -0.0178 3.4528 3.5101 3.7482 3.8176 5.0339 5.0798 5.2272 5.2321 5.3874 5.4072 5.7651 5.7778 5.8317 5.8819 5.9430 6.0158 6.6115 6.6663 7.0075 7.0221 7.3547 7.3668 7.6534 7.6857 8.1878 8.2121 8.4248 8.4270 9.1348 9.1434 9.7765 9.7920 10.2946 10.3276 10.3993 10.4086 k = 0.0000 0.3500-0.0000 ( 5443 PWs) bands (ev): -1.7173 -1.7150 -0.7992 -0.7900 -0.0356 -0.0337 3.3954 3.4545 3.6780 3.7485 4.9747 5.0096 5.2126 5.2167 5.4059 5.4105 5.7605 5.7693 5.8131 5.8514 5.9466 6.0126 6.6445 6.6942 7.0161 7.0315 7.3760 7.3815 7.6025 7.6370 8.1497 8.1779 8.4743 8.4788 9.1249 9.1341 9.7625 9.7776 10.3476 10.3857 10.4341 10.4526 k = 0.0000 0.3625-0.0000 ( 5451 PWs) bands (ev): -1.6485 -1.6460 -0.7657 -0.7559 -0.0567 -0.0543 3.3393 3.3964 3.6241 3.6921 4.9064 4.9338 5.1988 5.2022 5.4162 5.4230 5.7512 5.7554 5.8014 5.8302 5.9515 6.0105 6.6817 6.7276 7.0265 7.0425 7.3926 7.3962 7.5541 7.5934 8.1075 8.1380 8.5256 8.5311 9.1139 9.1234 9.7470 9.7614 10.4004 10.4434 10.4701 10.4977 k = 0.0000 0.3750-0.0000 ( 5455 PWs) bands (ev): -1.5789 -1.5761 -0.7341 -0.7236 -0.0823 -0.0793 3.2837 3.3351 3.5879 3.6497 4.8314 4.8537 5.1859 5.1889 5.4229 5.4382 5.7371 5.7383 5.7960 5.8182 5.9567 6.0091 6.7223 6.7652 7.0392 7.0557 7.3973 7.4135 7.5099 7.5574 8.0616 8.0935 8.5772 8.5832 9.1024 9.1118 9.7299 9.7437 10.4523 10.4996 10.5064 10.5422 k = 0.0000 0.3875-0.0000 ( 5444 PWs) bands (ev): -1.5088 -1.5058 -0.7050 -0.6939 -0.1120 -0.1082 3.2287 3.2724 3.5677 3.6215 4.7521 4.7708 5.1742 5.1767 5.4299 5.4513 5.7180 5.7246 5.7942 5.8119 5.9620 6.0083 6.7652 6.8058 7.0547 7.0714 7.3916 7.4204 7.4770 7.5328 8.0124 8.0452 8.6281 8.6344 9.0909 9.1000 9.7115 9.7246 10.5026 10.5411 10.5544 10.5845 k = 0.0000 0.4000-0.0000 ( 5446 PWs) bands (ev): -1.4388 -1.4354 -0.6792 -0.6673 -0.1450 -0.1404 3.1752 3.2110 3.5610 3.6067 4.6705 4.6867 5.1635 5.1657 5.4367 5.4622 5.7007 5.7119 5.7940 5.8084 5.9671 6.0076 6.8095 6.8479 7.0740 7.0905 7.3736 7.3994 7.4730 7.5212 7.9600 7.9934 8.6777 8.6841 9.0799 9.0883 9.6919 9.7043 10.5506 10.5741 10.6058 10.6234 k = 0.0000 0.4125-0.0000 ( 5442 PWs) bands (ev): -1.3693 -1.3657 -0.6576 -0.6449 -0.1802 -0.1747 3.1245 3.1532 3.5656 3.6039 4.5884 4.6027 5.1541 5.1559 5.4432 5.4707 5.6862 5.7007 5.7945 5.8063 5.9722 6.0071 6.8539 6.8897 7.0981 7.1136 7.3466 7.3636 7.4844 7.5191 7.9050 7.9388 8.7252 8.7316 9.0696 9.0772 9.6717 9.6832 10.5949 10.6044 10.6536 10.6585 k = 0.0000 0.4250-0.0000 ( 5446 PWs) bands (ev): -1.3012 -1.2972 -0.6410 -0.6277 -0.2159 -0.2096 3.0779 3.1006 3.5793 3.6113 4.5076 4.5205 5.1458 5.1473 5.4492 5.4768 5.6748 5.6910 5.7953 5.8050 5.9769 6.0065 6.8971 6.9296 7.1279 7.1415 7.3158 7.3265 7.4980 7.5213 7.8479 7.8819 8.7699 8.7761 9.0603 9.0671 9.6513 9.6618 10.6314 10.6338 10.6903 10.6968 k = 0.0000 0.4375-0.0000 ( 5442 PWs) bands (ev): -1.2354 -1.2312 -0.6307 -0.6169 -0.2502 -0.2432 3.0368 3.0544 3.6003 3.6269 4.4301 4.4418 5.1388 5.1401 5.4547 5.4807 5.6664 5.6828 5.7963 5.8041 5.9814 6.0058 6.9379 6.9662 7.1636 7.1743 7.2845 7.2912 7.5111 7.5247 7.7891 7.8234 8.8108 8.8167 9.0524 9.0581 9.6314 9.6407 10.6547 10.6653 10.7199 10.7345 k = 0.0000 0.4500-0.0000 ( 5448 PWs) bands (ev): -1.1734 -1.1691 -0.6273 -0.6137 -0.2806 -0.2734 3.0021 3.0153 3.6266 3.6483 4.3580 4.3685 5.1331 5.1340 5.4599 5.4826 5.6608 5.6758 5.7972 5.8033 5.9855 6.0049 6.9756 6.9989 7.2015 7.2087 7.2577 7.2614 7.5231 7.5273 7.7297 7.7645 8.8470 8.8523 9.0460 9.0505 9.6129 9.6208 10.6744 10.6883 10.7480 10.7659 k = 0.0000 0.4625-0.0000 ( 5444 PWs) bands (ev): -1.1175 -1.1133 -0.6307 -0.6184 -0.3046 -0.2982 2.9746 2.9841 3.6553 3.6724 4.2944 4.3034 5.1286 5.1293 5.4646 5.4828 5.6576 5.6700 5.7982 5.8027 5.9893 6.0037 7.0098 7.0280 7.2101 7.2119 7.2670 7.2679 7.5282 7.5339 7.6710 7.7069 8.8772 8.8816 9.0412 9.0445 9.5970 9.6032 10.6903 10.7035 10.7733 10.7902 k = 0.0000 0.4750-0.0000 ( 5444 PWs) bands (ev): -1.0710 -1.0675 -0.6386 -0.6291 -0.3211 -0.3161 2.9550 2.9611 3.6830 3.6950 4.2433 4.2501 5.1254 5.1259 5.4689 5.4816 5.6563 5.6651 5.7991 5.8020 5.9927 6.0023 7.0405 7.0537 7.1858 7.1877 7.3085 7.3091 7.5266 7.5433 7.6161 7.6535 8.9002 8.9034 9.0380 9.0402 9.5847 9.5891 10.7025 10.7125 10.7940 10.8069 k = 0.0000 0.4875-0.0000 ( 5442 PWs) bands (ev): -1.0389 -1.0368 -0.6461 -0.6408 -0.3299 -0.3272 2.9436 2.9466 3.7045 3.7108 4.2099 4.2137 5.1236 5.1238 5.4729 5.4794 5.6567 5.6613 5.7999 5.8014 5.9957 6.0004 7.0663 7.0743 7.1626 7.1649 7.3472 7.3474 7.5234 7.5458 7.5770 7.6099 8.9149 8.9165 9.0364 9.0374 9.5773 9.5795 10.7110 10.7163 10.8086 10.8155 k = 0.0000 0.5000-0.0000 ( 5428 PWs) bands (ev): -1.0266 -1.0266 -0.6476 -0.6476 -0.3317 -0.3317 2.9407 2.9407 3.7147 3.7147 4.1994 4.1994 5.1231 5.1231 5.4765 5.4765 5.6585 5.6585 5.8007 5.8007 5.9983 5.9983 7.0809 7.0809 7.1530 7.1530 7.3645 7.3645 7.5282 7.5282 7.5818 7.5818 8.9204 8.9204 9.0362 9.0362 9.5755 9.5755 10.7157 10.7157 10.8159 10.8159 k = 0.0000 0.5000-0.0000 ( 5428 PWs) bands (ev): -1.0266 -1.0266 -0.6476 -0.6476 -0.3317 -0.3317 2.9407 2.9407 3.7147 3.7147 4.1994 4.1994 5.1231 5.1231 5.4765 5.4765 5.6585 5.6585 5.8007 5.8007 5.9983 5.9983 7.0809 7.0809 7.1530 7.1530 7.3645 7.3645 7.5282 7.5282 7.5818 7.5818 8.9204 8.9204 9.0362 9.0362 9.5755 9.5755 10.7157 10.7157 10.8159 10.8159 k = 0.0125 0.5000-0.0000 ( 5426 PWs) bands (ev): -1.0257 -1.0256 -0.6469 -0.6469 -0.3313 -0.3310 2.9420 2.9426 3.7148 3.7169 4.1985 4.2012 5.1227 5.1229 5.4717 5.4815 5.6577 5.6592 5.7954 5.8069 5.9982 5.9985 7.0648 7.0876 7.1501 7.1520 7.3533 7.3736 7.5234 7.5311 7.5818 7.5832 8.9096 8.9213 9.0324 9.0347 9.5693 9.5724 10.7153 10.7173 10.8180 10.8189 k = 0.0250 0.5000-0.0000 ( 5430 PWs) bands (ev): -1.0231 -1.0228 -0.6447 -0.6447 -0.3298 -0.3291 2.9465 2.9477 3.7172 3.7214 4.1983 4.2038 5.1218 5.1223 5.4672 5.4867 5.6569 5.6598 5.7910 5.8138 5.9981 5.9988 7.0408 7.0833 7.1431 7.1471 7.3419 7.3793 7.5174 7.5318 7.5826 7.5861 8.8887 8.9122 9.0234 9.0278 9.5542 9.5603 10.7162 10.7201 10.8250 10.8267 k = 0.0375 0.5000-0.0000 ( 5434 PWs) bands (ev): -1.0186 -1.0182 -0.6411 -0.6410 -0.3271 -0.3261 2.9542 2.9559 3.7218 3.7282 4.1990 4.2072 5.1203 5.1211 5.4631 5.4919 5.6560 5.6603 5.7876 5.8214 5.9980 5.9991 7.0105 7.0672 7.1316 7.1385 7.3324 7.3812 7.5103 7.5298 7.5832 7.5898 8.8578 8.8933 9.0096 9.0156 9.5307 9.5395 10.7183 10.7241 10.8365 10.8387 k = 0.0500 0.5000-0.0000 ( 5430 PWs) bands (ev): -1.0124 -1.0118 -0.6360 -0.6360 -0.3233 -0.3220 2.9650 2.9673 3.7287 3.7373 4.2004 4.2115 5.1184 5.1193 5.4595 5.4972 5.6550 5.6608 5.7852 5.8296 5.9981 5.9996 6.9750 7.0401 7.1149 7.1262 7.3258 7.3796 7.5024 7.5252 7.5828 7.5930 8.8172 8.8648 8.9910 8.9984 9.4997 9.5107 10.7212 10.7288 10.8519 10.8544 k = 0.0625 0.5000-0.0000 ( 5434 PWs) bands (ev): -1.0043 -1.0036 -0.6296 -0.6295 -0.3184 -0.3168 2.9790 2.9819 3.7377 3.7487 4.2024 4.2165 5.1160 5.1171 5.4563 5.5025 5.6538 5.6612 5.7838 5.8381 5.9982 6.0001 6.9350 7.0038 7.0929 7.1106 7.3217 7.3752 7.4937 7.5179 7.5808 7.5945 8.7672 8.8270 8.9681 8.9765 9.4620 9.4749 10.7247 10.7342 10.8704 10.8730 k = 0.0750 0.5000-0.0000 ( 5440 PWs) bands (ev): -0.9945 -0.9937 -0.6217 -0.6216 -0.3125 -0.3105 2.9961 2.9996 3.7488 3.7622 4.2049 4.2222 5.1130 5.1142 5.4537 5.5076 5.6525 5.6614 5.7835 5.8471 5.9983 6.0007 6.8916 6.9599 7.0657 7.0919 7.3193 7.3685 7.4841 7.5079 7.5766 7.5931 8.7085 8.7802 8.9410 8.9502 9.4186 9.4328 10.7285 10.7397 10.8910 10.8935 k = 0.0875 0.5000-0.0000 ( 5448 PWs) bands (ev): -0.9830 -0.9820 -0.6125 -0.6123 -0.3055 -0.3032 3.0163 3.0204 3.7619 3.7779 4.2078 4.2285 5.1096 5.1107 5.4518 5.5126 5.6511 5.6614 5.7840 5.8562 5.9984 6.0013 6.8455 6.9105 7.0339 7.0704 7.3178 7.3602 7.4735 7.4951 7.5698 7.5882 8.6418 8.7250 8.9101 8.9199 9.3704 9.3856 10.7319 10.7448 10.9131 10.9154 k = 0.1000 0.5000-0.0000 ( 5460 PWs) bands (ev): -0.9697 -0.9687 -0.6019 -0.6017 -0.2975 -0.2950 3.0397 3.0444 3.7769 3.7956 4.2110 4.2352 5.1055 5.1066 5.4505 5.5172 5.6496 5.6610 5.7854 5.8655 5.9985 6.0019 6.7974 6.8572 6.9977 7.0462 7.3163 7.3503 7.4617 7.4795 7.5602 7.5794 8.5680 8.6620 8.8757 8.8859 9.3182 9.3340 10.7346 10.7489 10.9357 10.9379 k = 0.1125 0.5000-0.0000 ( 5460 PWs) bands (ev): -0.9548 -0.9536 -0.5900 -0.5898 -0.2886 -0.2858 3.0661 3.0714 3.7937 3.8152 4.2143 4.2423 5.1010 5.1019 5.4499 5.5216 5.6480 5.6601 5.7876 5.8748 5.9987 6.0027 6.7483 6.8012 6.9577 7.0198 7.3143 7.3393 7.4486 7.4612 7.5477 7.5663 8.4881 8.5920 8.8378 8.8484 9.2628 9.2790 10.7361 10.7511 10.9583 10.9605 k = 0.1250 0.5000-0.0000 ( 5464 PWs) bands (ev): -0.9382 -0.9370 -0.5769 -0.5766 -0.2788 -0.2757 3.0956 3.1014 3.8120 3.8366 4.2177 4.2496 5.0959 5.0966 5.4499 5.5254 5.6463 5.6586 5.7903 5.8839 5.9988 6.0034 6.6987 6.7439 6.9144 6.9914 7.3115 7.3270 7.4340 7.4402 7.5324 7.5491 8.4029 8.5162 8.7967 8.8075 9.2049 9.2215 10.7360 10.7509 10.9805 10.9829 k = 0.1375 0.5000-0.0000 ( 5464 PWs) bands (ev): -0.9201 -0.9187 -0.5626 -0.5623 -0.2682 -0.2648 3.1281 3.1345 3.8318 3.8597 4.2209 4.2569 5.0902 5.0905 5.4506 5.5285 5.6446 5.6563 5.7935 5.8928 5.9989 6.0041 6.6496 6.6863 6.8683 6.9613 7.3076 7.3136 7.4167 7.4179 7.5145 7.5277 8.3135 8.4353 8.7523 8.7632 9.1456 9.1623 10.7344 10.7484 11.0019 11.0048 k = 0.1500 0.5000-0.0000 ( 5472 PWs) bands (ev): -0.9004 -0.8990 -0.5472 -0.5468 -0.2568 -0.2532 3.1635 3.1705 3.8529 3.8843 4.2238 4.2641 5.0837 5.0840 5.4518 5.5306 5.6428 5.6530 5.7970 5.9012 5.9989 6.0048 6.6017 6.6294 6.8199 6.9299 7.2988 7.3022 7.3910 7.4001 7.4943 7.5025 8.2210 8.3504 8.7043 8.7151 9.0857 9.1025 10.7314 10.7437 11.0224 11.0259 k = 0.1625 0.5000-0.0000 ( 5468 PWs) bands (ev): -0.8792 -0.8777 -0.5307 -0.5303 -0.2447 -0.2409 3.2019 3.2095 3.8750 3.9103 4.2264 4.2711 5.0762 5.0773 5.4534 5.5314 5.6411 5.6485 5.8005 5.9091 5.9990 6.0054 6.5557 6.5740 6.7699 6.8976 7.2826 7.2948 7.3635 7.3808 7.4720 7.4737 8.1264 8.2627 8.6522 8.6627 9.0264 9.0432 10.7275 10.7377 11.0420 11.0463 k = 0.1750 0.5000-0.0000 ( 5464 PWs) bands (ev): -0.8566 -0.8551 -0.5132 -0.5127 -0.2321 -0.2280 3.2431 3.2513 3.8979 3.9373 4.2284 4.2777 5.0679 5.0700 5.4553 5.5305 5.6397 5.6427 5.8038 5.9162 5.9990 6.0060 6.5124 6.5211 6.7192 6.8648 7.2646 7.2851 7.3344 7.3601 7.4418 7.4483 8.0308 8.1730 8.5953 8.6053 8.9690 8.9858 10.7234 10.7314 11.0610 11.0658 k = 0.1875 0.5000-0.0000 ( 5460 PWs) bands (ev): -0.8327 -0.8311 -0.4948 -0.4942 -0.2189 -0.2147 3.2871 3.2960 3.9214 3.9652 4.2297 4.2836 5.0588 5.0622 5.4571 5.5272 5.6355 5.6389 5.8066 5.9223 5.9991 6.0063 6.4715 6.4723 6.6684 6.8321 7.2444 7.2720 7.3044 7.3384 7.4072 7.4234 7.9352 8.0824 8.5327 8.5422 8.9147 8.9315 10.7196 10.7257 11.0793 11.0843 k = 0.2000 0.5000-0.0000 ( 5452 PWs) bands (ev): -0.8074 -0.8058 -0.4755 -0.4749 -0.2054 -0.2010 3.3339 3.3434 3.9451 3.9937 4.2304 4.2889 5.0490 5.0540 5.4584 5.5210 5.6270 5.6390 5.8084 5.9272 5.9991 6.0065 6.4259 6.4360 6.6184 6.7999 7.2214 7.2548 7.2741 7.3162 7.3707 7.3980 7.8408 7.9918 8.4639 8.4728 8.8647 8.8813 10.7168 10.7214 11.0970 11.1018 k = 0.2125 0.5000-0.0000 ( 5444 PWs) bands (ev): -0.7810 -0.7794 -0.4555 -0.4548 -0.1915 -0.1870 3.3833 3.3934 3.9687 4.0224 4.2304 4.2933 5.0384 5.0452 5.4589 5.5117 5.6174 5.6400 5.8087 5.9308 5.9990 6.0065 6.3848 6.4039 6.5703 6.7688 7.1949 7.2326 7.2440 7.2934 7.3328 7.3723 7.7489 7.9022 8.3887 8.3968 8.8196 8.8359 10.7155 10.7192 11.1140 11.1183 k = 0.2250 0.5000-0.0000 ( 5448 PWs) bands (ev): -0.7534 -0.7518 -0.4349 -0.4341 -0.1775 -0.1728 3.4353 3.4460 3.9920 4.0510 4.2296 4.2968 5.0272 5.0361 5.4579 5.4992 5.6072 5.6421 5.8069 5.9327 5.9989 6.0061 6.3487 6.3763 6.5252 6.7395 7.1645 7.2055 7.2142 7.2688 7.2946 7.3470 7.6613 7.8143 8.3072 8.3146 8.7798 8.7955 10.7163 10.7196 11.1302 11.1340 k = 0.2375 0.5000-0.0000 ( 5448 PWs) bands (ev): -0.7248 -0.7233 -0.4137 -0.4128 -0.1635 -0.1586 3.4896 3.5011 4.0145 4.0791 4.2280 4.2992 5.0153 5.0267 5.4549 5.4837 5.5970 5.6452 5.8024 5.9329 5.9987 6.0055 6.3178 6.3530 6.4842 6.7124 7.1303 7.1745 7.1843 7.2403 7.2570 7.3226 7.5799 7.7292 8.2200 8.2266 8.7452 8.7600 10.7195 10.7230 11.1457 11.1489 k = 0.2500 0.5000-0.0000 ( 5450 PWs) bands (ev): -0.6953 -0.6938 -0.3920 -0.3911 -0.1495 -0.1446 3.5462 3.5585 4.0359 4.1061 4.2258 4.3006 5.0031 5.0170 5.4494 5.4656 5.5874 5.6490 5.7944 5.9311 5.9984 6.0047 6.2920 6.3341 6.4483 6.6883 7.0925 7.1405 7.1535 7.2050 7.2208 7.2991 7.5071 7.6477 8.1279 8.1336 8.7154 8.7291 10.7254 10.7297 11.1604 11.1630 k = 0.2625 0.5000-0.0000 ( 5444 PWs) bands (ev): -0.6649 -0.6635 -0.3701 -0.3691 -0.1357 -0.1308 3.6048 3.6180 4.0558 4.1317 4.2231 4.3009 4.9906 5.0072 5.4412 5.4458 5.5790 5.6533 5.7827 5.9271 5.9980 6.0036 6.2711 6.3192 6.4186 6.6673 7.0515 7.1042 7.1217 7.1612 7.1865 7.2764 7.4453 7.5706 8.0318 8.0364 8.6901 8.7024 10.7344 10.7399 11.1745 11.1765 k = 0.2750 0.5000-0.0000 ( 5428 PWs) bands (ev): -0.6339 -0.6325 -0.3480 -0.3469 -0.1224 -0.1173 3.6651 3.6794 4.0739 4.1552 4.2200 4.3001 4.9781 4.9973 5.4251 5.4308 5.5718 5.6579 5.7668 5.9209 5.9977 6.0024 6.2546 6.3078 6.3956 6.6499 7.0077 7.0663 7.0893 7.1088 7.1536 7.2539 7.3952 7.4988 7.9328 7.9359 8.6689 8.6796 10.7466 10.7537 11.1879 11.1894 k = 0.2875 0.5000-0.0000 ( 5432 PWs) bands (ev): -0.6022 -0.6010 -0.3258 -0.3246 -0.1095 -0.1045 3.7268 3.7424 4.0899 4.1760 4.2170 4.2984 4.9659 4.9873 5.4042 5.4188 5.5656 5.6625 5.7469 5.9123 5.9975 6.0010 6.2420 6.2996 6.3794 6.6360 6.9615 7.0264 7.0508 7.0566 7.1216 7.2309 7.3555 7.4330 7.8318 7.8329 8.6515 8.6605 10.7621 10.7712 11.2006 11.2017 k = 0.3000 0.5000-0.0000 ( 5434 PWs) bands (ev): -0.5701 -0.5690 -0.3037 -0.3025 -0.0974 -0.0923 3.7891 3.8066 4.1035 4.1937 4.2145 4.2961 4.9542 4.9773 5.3842 5.4063 5.5597 5.6665 5.7240 5.9016 5.9974 5.9995 6.2328 6.2941 6.3697 6.6255 6.9137 6.9783 6.9968 7.0234 7.0904 7.2071 7.3238 7.3739 7.7284 7.7300 8.6375 8.6447 10.7811 10.7924 11.2128 11.2134 k = 0.3125 0.5000-0.0000 ( 5434 PWs) bands (ev): -0.5377 -0.5367 -0.2818 -0.2805 -0.0860 -0.0810 3.8513 3.8714 4.1146 4.2078 4.2134 4.2936 4.9434 4.9672 5.3658 5.3944 5.5538 5.6679 5.7007 5.8891 5.9976 5.9981 6.2265 6.2907 6.3658 6.6177 6.8653 6.9174 6.9547 6.9891 7.0605 7.1819 7.2974 7.3218 7.6231 7.6288 8.6267 8.6320 10.8034 10.8172 11.2243 11.2245 k = 0.3250 0.5000-0.0000 ( 5424 PWs) bands (ev): -0.5051 -0.5043 -0.2603 -0.2590 -0.0757 -0.0707 3.9115 3.9357 4.1231 4.2154 4.2179 4.2919 4.9335 4.9570 5.3498 5.3840 5.5474 5.6572 5.6875 5.8753 5.9967 5.9979 6.2226 6.2889 6.3667 6.6119 6.8173 6.8549 6.9158 6.9528 7.0328 7.1544 7.2745 7.2766 7.5181 7.5300 8.6188 8.6223 10.8291 10.8455 11.2351 11.2352 k = 0.3375 0.5000-0.0000 ( 5424 PWs) bands (ev): -0.4724 -0.4718 -0.2393 -0.2380 -0.0665 -0.0616 3.9672 3.9976 4.1289 4.2230 4.2238 4.2924 4.9246 4.9467 5.3370 5.3757 5.5402 5.6319 5.6876 5.8607 5.9953 5.9981 6.2205 6.2884 6.3712 6.6072 6.7705 6.7945 6.8781 6.9142 7.0080 7.1230 7.2379 7.2538 7.4146 7.4363 8.6135 8.6152 10.8580 10.8770 11.2450 11.2454 k = 0.3500 0.5000-0.0000 ( 5420 PWs) bands (ev): -0.4399 -0.4395 -0.2191 -0.2177 -0.0587 -0.0538 4.0138 4.0541 4.1324 4.2257 4.2404 4.2982 4.9167 4.9363 5.3278 5.3700 5.5321 5.6036 5.6906 5.8456 5.9939 5.9983 6.2198 6.2886 6.3783 6.6021 6.7262 6.7375 6.8415 6.8735 6.9860 7.0845 7.2048 7.2346 7.3143 7.3517 8.6106 8.6107 10.8901 10.9117 11.2542 11.2550 k = 0.3625 0.5000-0.0000 ( 5412 PWs) bands (ev): -0.4077 -0.4075 -0.1996 -0.1983 -0.0523 -0.0475 4.0472 4.0997 4.1336 4.2240 4.2718 4.3142 4.9095 4.9260 5.3226 5.3669 5.5233 5.5755 5.6939 5.8306 5.9925 5.9983 6.2202 6.2890 6.3869 6.5945 6.6846 6.6861 6.8064 6.8318 6.9655 7.0354 7.1765 7.2163 7.2197 7.2812 8.6084 8.6098 10.9250 10.9490 11.2627 11.2638 k = 0.3750 0.5000-0.0000 ( 5410 PWs) bands (ev): -0.3760 -0.3760 -0.1812 -0.1799 -0.0474 -0.0428 4.0668 4.1292 4.1330 4.2192 4.3171 4.3453 4.9030 4.9160 5.3214 5.3663 5.5141 5.5487 5.6969 5.8157 5.9911 5.9980 6.2211 6.2893 6.3961 6.5814 6.6364 6.6527 6.7728 6.7898 6.9432 6.9740 7.1343 7.1535 7.1985 7.2278 8.6082 8.6108 10.9625 10.9888 11.2705 11.2718 k = 0.3875 0.5000-0.0000 ( 5408 PWs) bands (ev): -0.3451 -0.3449 -0.1640 -0.1627 -0.0443 -0.0398 4.0763 4.1312 4.1425 4.2117 4.3719 4.3909 4.8973 4.9067 5.3240 5.3677 5.5047 5.5240 5.6995 5.8012 5.9897 5.9974 6.2223 6.2888 6.4045 6.5603 6.5933 6.6276 6.7409 6.7485 6.9041 6.9124 7.0690 7.1327 7.1799 7.1906 8.6097 8.6133 11.0022 11.0305 11.2775 11.2791 k = 0.4000 0.5000-0.0000 ( 5412 PWs) bands (ev): -0.3151 -0.3146 -0.1480 -0.1468 -0.0431 -0.0387 4.0801 4.1286 4.1450 4.2024 4.4310 4.4449 4.8927 4.8987 5.3297 5.3703 5.4958 5.5019 5.7013 5.7869 5.9882 5.9964 6.2233 6.2873 6.4111 6.5335 6.5555 6.6066 6.7093 6.7104 6.8326 6.8677 7.0294 7.1156 7.1568 7.1688 8.6125 8.6169 11.0437 11.0734 11.2837 11.2855 k = 0.4125 0.5000-0.0000 ( 5404 PWs) bands (ev): -0.2861 -0.2855 -0.1336 -0.1325 -0.0437 -0.0395 4.0810 4.1257 4.1414 4.1918 4.4904 4.5012 4.8899 4.8931 5.3378 5.3735 5.4829 5.4878 5.7024 5.7729 5.9865 5.9949 6.2240 6.2842 6.4142 6.5056 6.5227 6.5813 6.6755 6.6809 6.7671 6.8158 7.0113 7.1016 7.1350 7.1526 8.6165 8.6212 11.0864 11.1168 11.2891 11.2911 k = 0.4250 0.5000-0.0000 ( 5404 PWs) bands (ev): -0.2585 -0.2575 -0.1207 -0.1197 -0.0462 -0.0422 4.0807 4.1230 4.1347 4.1806 4.5465 4.5553 4.8900 4.8908 5.3471 5.3762 5.4675 5.4811 5.7025 5.7591 5.9847 5.9930 6.2242 6.2794 6.4128 6.4796 6.4933 6.5454 6.6508 6.6520 6.7145 6.7678 7.0051 7.0905 7.1166 7.1380 8.6211 8.6259 11.1294 11.1596 11.2937 11.2959 k = 0.4375 0.5000-0.0000 ( 5400 PWs) bands (ev): -0.2323 -0.2311 -0.1096 -0.1087 -0.0507 -0.0469 4.0802 4.1208 4.1266 4.1694 4.5962 4.6031 4.8931 4.8941 5.3563 5.3780 5.4562 5.4760 5.7016 5.7454 5.9828 5.9906 6.2239 6.2728 6.4067 6.4567 6.4647 6.5011 6.6264 6.6347 6.6778 6.7282 7.0051 7.0820 7.1007 7.1244 8.6260 8.6305 11.1718 11.2001 11.2973 11.2999 k = 0.4500 0.5000-0.0000 ( 5404 PWs) bands (ev): -0.2079 -0.2066 -0.1003 -0.0995 -0.0569 -0.0534 4.0801 4.1182 4.1194 4.1587 4.6365 4.6418 4.9008 4.9031 5.3640 5.3785 5.4493 5.4721 5.6998 5.7322 5.9808 5.9879 6.2233 6.2646 6.3962 6.4368 6.4368 6.4561 6.6100 6.6239 6.6534 6.6970 7.0087 7.0763 7.0865 7.1121 8.6308 8.6348 11.2118 11.2363 11.3002 11.3033 k = 0.4625 0.5000-0.0000 ( 5404 PWs) bands (ev): -0.1859 -0.1844 -0.0930 -0.0923 -0.0647 -0.0615 4.0809 4.1099 4.1192 4.1488 4.6659 4.6696 4.9134 4.9162 5.3693 5.3780 5.4471 5.4689 5.6975 5.7199 5.9790 5.9849 6.2230 6.2554 6.3807 6.4107 6.4156 6.4258 6.6039 6.6166 6.6365 6.6723 7.0147 7.0731 7.0737 7.1010 8.6351 8.6383 11.2474 11.2654 11.3022 11.3061 k = 0.4750 0.5000-0.0000 ( 5408 PWs) bands (ev): -0.1669 -0.1654 -0.0877 -0.0871 -0.0731 -0.0705 4.0827 4.1023 4.1203 4.1401 4.6848 4.6871 4.9277 4.9302 5.3723 5.3770 5.4485 5.4655 5.6953 5.7092 5.9777 5.9819 6.2236 6.2461 6.3629 6.3794 6.4048 6.4132 6.6053 6.6120 6.6249 6.6526 7.0222 7.0618 7.0724 7.0916 8.6386 8.6409 11.2758 11.2851 11.3035 11.3086 k = 0.4875 0.5000-0.0000 ( 5412 PWs) bands (ev): -0.1526 -0.1516 -0.0846 -0.0841 -0.0804 -0.0786 4.0857 4.0956 4.1229 4.1328 4.6951 4.6962 4.9392 4.9407 5.3738 5.3759 5.4523 5.4616 5.6945 5.7011 5.9772 5.9794 6.2260 6.2375 6.3506 6.3581 6.4008 6.4054 6.6100 6.6103 6.6187 6.6367 7.0309 7.0508 7.0740 7.0838 8.6411 8.6422 11.2937 11.2952 11.3049 11.3102 k = 0.5000 0.5000-0.0000 ( 5408 PWs) bands (ev): -0.1466 -0.1466 -0.0840 -0.0840 -0.0822 -0.0822 4.0900 4.0900 4.1271 4.1271 4.6986 4.6986 4.9441 4.9441 5.3748 5.3748 5.4570 5.4570 5.6962 5.6962 5.9778 5.9778 6.2307 6.2307 6.3485 6.3485 6.4012 6.4012 6.6106 6.6106 6.6242 6.6242 7.0405 7.0405 7.0779 7.0779 8.6423 8.6423 11.2985 11.2985 11.3086 11.3086 k = 0.5000 0.5000-0.0000 ( 5408 PWs) bands (ev): -0.1466 -0.1466 -0.0840 -0.0840 -0.0822 -0.0822 4.0900 4.0900 4.1271 4.1271 4.6986 4.6986 4.9441 4.9441 5.3748 5.3748 5.4570 5.4570 5.6962 5.6962 5.9778 5.9778 6.2307 6.2307 6.3485 6.3485 6.4012 6.4012 6.6106 6.6106 6.6242 6.6242 7.0405 7.0405 7.0779 7.0779 8.6423 8.6423 11.2985 11.2985 11.3086 11.3086 k = 0.4912 0.4912-0.0000 ( 5412 PWs) bands (ev): -0.1527 -0.1516 -0.0831 -0.0828 -0.0818 -0.0799 4.0857 4.0955 4.1229 4.1328 4.6952 4.6962 4.9392 4.9408 5.3738 5.3759 5.4521 5.4618 5.6945 5.7010 5.9772 5.9794 6.2260 6.2375 6.3503 6.3578 6.4006 6.4058 6.6069 6.6134 6.6192 6.6361 7.0310 7.0507 7.0741 7.0837 8.6411 8.6423 11.2921 11.2959 11.3059 11.3103 k = 0.4825 0.4825-0.0000 ( 5408 PWs) bands (ev): -0.1679 -0.1663 -0.0810 -0.0805 -0.0789 -0.0758 4.0827 4.1021 4.1206 4.1400 4.6856 4.6878 4.9271 4.9303 5.3716 5.3766 5.4473 5.4676 5.6954 5.7087 5.9778 5.9820 6.2231 6.2463 6.3594 6.3755 6.4051 6.4181 6.5973 6.6205 6.6273 6.6503 7.0224 7.0614 7.0726 7.0914 8.6387 8.6410 11.2700 11.2841 11.3081 11.3114 k = 0.4737 0.4737-0.0000 ( 5408 PWs) bands (ev): -0.1897 -0.1880 -0.0778 -0.0775 -0.0759 -0.0722 4.0810 4.1088 4.1210 4.1489 4.6694 4.6728 4.9106 4.9157 5.3667 5.3751 5.4438 5.4760 5.6976 5.7183 5.9796 5.9854 6.2212 6.2563 6.3680 6.3878 6.4245 6.4439 6.5887 6.6323 6.6452 6.6679 7.0149 7.0705 7.0760 7.1009 8.6353 8.6387 11.2355 11.2595 11.3130 11.3153 k = 0.4649 0.4649-0.0000 ( 5406 PWs) bands (ev): -0.2168 -0.2151 -0.0754 -0.0736 -0.0726 -0.0706 4.0807 4.1135 4.1264 4.1594 4.6461 4.6506 4.8932 4.9005 5.3578 5.3685 5.4444 5.4881 5.7000 5.7288 5.9826 5.9895 6.2193 6.2661 6.3726 6.3910 6.4546 6.4820 6.5855 6.6489 6.6756 6.6927 7.0087 7.0748 7.0877 7.1121 8.6314 8.6357 11.1919 11.2234 11.3196 11.3212 k = 0.4561 0.4561-0.0000 ( 5402 PWs) bands (ev): -0.2485 -0.2468 -0.0768 -0.0720 -0.0677 -0.0672 4.0816 4.1164 4.1366 4.1716 4.6162 4.6218 4.8774 4.8872 5.3443 5.3548 5.4502 5.5043 5.7016 5.7396 5.9868 5.9942 6.2161 6.2739 6.3746 6.3919 6.4783 6.5236 6.5928 6.6689 6.7234 6.7321 7.0044 7.0804 7.1017 7.1249 8.6274 8.6325 11.1423 11.1786 11.3277 11.3277 k = 0.4474 0.4474-0.0000 ( 5410 PWs) bands (ev): -0.2845 -0.2829 -0.0809 -0.0756 -0.0613 -0.0606 4.0838 4.1197 4.1494 4.1854 4.5816 4.5880 4.8644 4.8771 5.3266 5.3346 5.4599 5.5238 5.7023 5.7502 5.9918 5.9995 6.2109 6.2776 6.3754 6.3920 6.4903 6.5609 6.6115 6.6907 6.7912 6.7921 7.0023 7.0886 7.1173 7.1395 8.6237 8.6296 11.0889 11.1281 11.3299 11.3366 k = 0.4386 0.4386-0.0000 ( 5410 PWs) bands (ev): -0.3246 -0.3231 -0.0879 -0.0821 -0.0537 -0.0529 4.0871 4.1237 4.1641 4.2009 4.5449 4.5518 4.8542 4.8704 5.3052 5.3091 5.4719 5.5460 5.7018 5.7607 5.9976 6.0053 6.2030 6.2749 6.3756 6.3916 6.4974 6.5918 6.6366 6.7139 6.8721 6.8768 7.0036 7.0994 7.1348 7.1557 8.6210 8.6273 11.0335 11.0742 11.3237 11.3350 k = 0.4298 0.4298-0.0000 ( 5406 PWs) bands (ev): -0.3685 -0.3671 -0.0975 -0.0913 -0.0451 -0.0443 4.0912 4.1283 4.1804 4.2177 4.5092 4.5163 4.8461 4.8666 5.2792 5.2809 5.4846 5.5698 5.7003 5.7713 6.0042 6.0117 6.1919 6.2646 6.3754 6.3909 6.5062 6.6185 6.6646 6.7389 6.9617 6.9757 7.0142 7.1131 7.1546 7.1738 8.6195 8.6261 10.9772 11.0184 11.3144 11.3249 k = 0.4211 0.4211-0.0000 ( 5408 PWs) bands (ev): -0.4161 -0.4147 -0.1099 -0.1033 -0.0357 -0.0348 4.0954 4.1326 4.1984 4.2354 4.4777 4.4847 4.8391 4.8651 5.2455 5.2542 5.4971 5.5945 5.6981 5.7821 6.0112 6.0184 6.1778 6.2472 6.3751 6.3898 6.5192 6.6431 6.6945 6.7655 7.0028 7.0818 7.0881 7.1304 7.1784 7.1937 8.6198 8.6264 10.9211 10.9622 11.3049 11.3161 k = 0.4123 0.4123-0.0000 ( 5404 PWs) bands (ev): -0.4671 -0.4658 -0.1249 -0.1179 -0.0255 -0.0246 4.0987 4.1352 4.2179 4.2535 4.4537 4.4600 4.8324 4.8656 5.2085 5.2262 5.5087 5.6191 5.6955 5.7933 6.0184 6.0250 6.1615 6.2244 6.3747 6.3885 6.5362 6.6669 6.7258 6.7930 7.0161 7.1461 7.1786 7.2017 7.2156 7.2256 8.6221 8.6284 10.8658 10.9064 11.2965 11.3084 k = 0.4035 0.4035-0.0000 ( 5402 PWs) bands (ev): -0.5213 -0.5200 -0.1426 -0.1351 -0.0147 -0.0137 4.1001 4.1347 4.2391 4.2711 4.4405 4.4450 4.8251 4.8677 5.1687 5.1976 5.5190 5.6425 5.6932 5.8049 6.0256 6.0308 6.1443 6.1984 6.3742 6.3869 6.5559 6.6903 6.7580 6.8208 7.0316 7.1693 7.2158 7.2390 7.3241 7.3356 8.6266 8.6325 10.8120 10.8517 11.2899 11.3026 k = 0.3947 0.3947-0.0000 ( 5408 PWs) bands (ev): -0.5785 -0.5772 -0.1627 -0.1549 -0.0034 -0.0023 4.0983 4.1301 4.2620 4.2882 4.4402 4.4414 4.8163 4.8710 5.1266 5.1695 5.5278 5.6614 5.6943 5.8168 6.0321 6.0342 6.1283 6.1713 6.3737 6.3851 6.5773 6.7130 6.7904 6.8478 7.0515 7.1945 7.2452 7.2645 7.4512 7.4608 8.6335 8.6387 10.7600 10.7987 11.2858 11.2993 k = 0.3860 0.3860-0.0000 ( 5408 PWs) bands (ev): -0.6383 -0.6371 -0.1852 -0.1771 0.0082 0.0094 4.0931 4.1216 4.2871 4.3057 4.4496 4.4529 4.8052 4.8752 5.0829 5.1431 5.5351 5.6687 5.7055 5.8290 6.0326 6.0367 6.1171 6.1454 6.3732 6.3832 6.5993 6.7348 6.8221 6.8731 7.0765 7.2225 7.2756 7.2921 7.5817 7.5904 8.6430 8.6472 10.7101 10.7476 11.2849 11.2991 k = 0.3772 0.3772-0.0000 ( 5412 PWs) bands (ev): -0.7005 -0.6994 -0.2101 -0.2017 0.0200 0.0213 4.0854 4.1107 4.3143 4.3254 4.4683 4.4763 4.7908 4.8797 5.0384 5.1196 5.5410 5.6668 5.7246 5.8413 6.0236 6.0372 6.1135 6.1242 6.3727 6.3812 6.6212 6.7552 6.8524 6.8961 7.1066 7.2534 7.3081 7.3216 7.7144 7.7226 8.6550 8.6579 10.6622 10.6984 11.2879 11.3028 k = 0.3684 0.3684-0.0000 ( 5406 PWs) bands (ev): -0.7649 -0.7637 -0.2372 -0.2286 0.0319 0.0332 4.0768 4.0994 4.3438 4.3485 4.4957 4.5078 4.7726 4.8829 4.9954 5.1002 5.5456 5.6619 5.7452 5.8537 6.0083 6.0299 6.1119 6.1173 6.3722 6.3791 6.6426 6.7739 6.8804 6.9164 7.1414 7.2870 7.3431 7.3532 7.8486 7.8564 8.6694 8.6709 10.6163 10.6512 11.2952 11.3105 k = 0.3596 0.3596-0.0000 ( 5412 PWs) bands (ev): -0.8311 -0.8300 -0.2664 -0.2576 0.0436 0.0450 4.0690 4.0894 4.3752 4.3755 4.5302 4.5454 4.7503 4.8800 4.9593 5.0855 5.5491 5.6558 5.7656 5.8659 5.9897 6.0143 6.1096 6.1258 6.3718 6.3770 6.6632 6.7909 6.9053 6.9336 7.1800 7.3228 7.3810 7.3870 7.9833 7.9908 8.6861 8.6864 10.5720 10.6056 11.3070 11.3213 k = 0.3509 0.3509-0.0000 ( 5410 PWs) bands (ev): -0.8988 -0.8978 -0.2976 -0.2886 0.0549 0.0564 4.0635 4.0821 4.4054 4.4088 4.5706 4.5876 4.7246 4.8603 4.9415 5.0757 5.5518 5.6490 5.7854 5.8778 5.9703 5.9942 6.1140 6.1372 6.3716 6.3748 6.6826 6.8062 6.9265 6.9476 7.2216 7.3604 7.4221 7.4231 8.1179 8.1251 8.7035 8.7057 10.5290 10.5613 11.3185 11.3230 k = 0.3421 0.3421-0.0000 ( 5412 PWs) bands (ev): -0.9679 -0.9668 -0.3306 -0.3216 0.0658 0.0674 4.0611 4.0782 4.4384 4.4433 4.6158 4.6330 4.6965 4.8254 4.9419 5.0706 5.5540 5.6418 5.8043 5.8892 5.9515 5.9731 6.1219 6.1503 6.3715 6.3727 6.7009 6.8199 6.9438 6.9579 7.2652 7.3990 7.4616 7.4668 8.2516 8.2588 8.7229 8.7272 10.4868 10.5179 11.2990 11.3238 k = 0.3333 0.3333-0.0000 ( 5426 PWs) bands (ev): -1.0379 -1.0369 -0.3654 -0.3563 0.0759 0.0775 4.0628 4.0786 4.4736 4.4775 4.6648 4.6689 4.6785 4.7886 4.9501 5.0697 5.5560 5.6343 5.8221 5.8994 5.9342 5.9533 6.1318 6.1647 6.3707 6.3716 6.7179 6.8324 6.9569 6.9646 7.3102 7.4383 7.5029 7.5153 8.3837 8.3910 8.7442 8.7510 10.4450 10.4749 11.2759 11.3001 k = 0.3246 0.3246-0.0000 ( 5434 PWs) bands (ev): -1.1087 -1.1077 -0.4017 -0.3926 0.0852 0.0868 4.0688 4.0834 4.5081 4.5098 4.6450 4.7074 4.7179 4.7719 4.9616 5.0723 5.5580 5.6266 5.8383 5.9061 5.9198 5.9380 6.1430 6.1803 6.3687 6.3721 6.7337 6.8438 6.9661 6.9674 7.3556 7.4778 7.5471 7.5675 8.5134 8.5211 8.7673 8.7769 10.4030 10.4321 11.2506 11.2742 k = 0.3158 0.3158-0.0000 ( 5446 PWs) bands (ev): -1.1800 -1.1790 -0.4394 -0.4303 0.0933 0.0950 4.0795 4.0929 4.5257 4.5443 4.6363 4.6921 4.7733 4.8064 4.9752 5.0777 5.5607 5.6190 5.8506 5.9019 5.9108 5.9349 6.1553 6.1967 6.3670 6.3730 6.7482 6.8545 6.9666 6.9718 7.4009 7.5172 7.5944 7.6232 8.6395 8.6482 8.7920 8.8050 10.3605 10.3888 11.2234 11.2466 k = 0.3070 0.3070-0.0000 ( 5446 PWs) bands (ev): -1.2516 -1.2506 -0.4783 -0.4692 0.1002 0.1019 4.0950 4.1072 4.5206 4.5686 4.6530 4.6755 4.8305 4.8577 4.9904 5.0855 5.5644 5.6117 5.8551 5.8892 5.9114 5.9418 6.1687 6.2139 6.3654 6.3744 6.7614 6.8646 6.9626 6.9748 7.4455 7.5565 7.6449 7.6821 8.7595 8.7715 8.8182 8.8370 10.3172 10.3450 11.1944 11.2174 k = 0.2982 0.2982-0.0000 ( 5442 PWs) bands (ev): -1.3231 -1.3222 -0.5182 -0.5092 0.1056 0.1074 4.1152 4.1263 4.5014 4.5672 4.6867 4.6873 4.8887 4.9113 5.0070 5.0953 5.5697 5.6048 5.8514 5.8756 5.9224 5.9511 6.1830 6.2319 6.3642 6.3766 6.7734 6.8744 6.9560 6.9760 7.4889 7.5952 7.6984 7.7438 8.8453 8.8499 8.8907 8.8951 10.2729 10.3004 11.1640 11.1867 k = 0.2895 0.2895-0.0000 ( 5438 PWs) bands (ev): -1.3945 -1.3936 -0.5590 -0.5501 0.1094 0.1112 4.1402 4.1500 4.4788 4.5468 4.7215 4.7291 4.9469 4.9636 5.0250 5.1068 5.5773 5.5987 5.8441 5.8630 5.9392 5.9610 6.1983 6.2504 6.3634 6.3798 6.7842 6.8839 6.9479 6.9766 7.5307 7.6333 7.7550 7.8079 8.8739 8.8897 8.9994 9.0039 10.2272 10.2547 11.1323 11.1547 k = 0.2807 0.2807-0.0000 ( 5444 PWs) bands (ev): -1.4655 -1.4646 -0.6004 -0.5916 0.1116 0.1134 4.1699 4.1781 4.4572 4.5223 4.7657 4.7742 5.0041 5.0117 5.0454 5.1196 5.5880 5.5937 5.8364 5.8520 5.9591 5.9710 6.2147 6.2691 6.3631 6.3844 6.7938 6.8932 6.9393 6.9777 7.5708 7.6705 7.8141 7.8741 8.9034 8.9240 9.1035 9.1107 10.1801 10.2081 11.0994 11.1215 k = 0.2719 0.2719-0.0000 ( 5440 PWs) bands (ev): -1.5359 -1.5350 -0.6423 -0.6337 0.1118 0.1136 4.2040 4.2103 4.4389 4.4994 4.8141 4.8212 5.0494 5.0590 5.0726 5.1335 5.5903 5.6024 5.8293 5.8427 5.9810 5.9812 6.2320 6.2877 6.3636 6.3909 6.8028 6.9023 6.9317 6.9804 7.6090 7.7064 7.8755 7.9421 8.9337 8.9583 9.2007 9.2100 10.1316 10.1603 11.0655 11.0873 k = 0.2632 0.2632-0.0000 ( 5444 PWs) bands (ev): -1.6055 -1.6047 -0.6845 -0.6761 0.1102 0.1120 4.2423 4.2459 4.4250 4.4801 4.8648 4.8691 5.0746 5.1066 5.1105 5.1484 5.5889 5.6208 5.8233 5.8353 5.9918 6.0042 6.2501 6.3053 6.3652 6.4002 6.8116 6.9112 6.9267 6.9858 7.6451 7.7407 7.9387 8.0116 8.9645 8.9931 9.2894 9.3011 10.0816 10.1117 11.0305 11.0519 k = 0.2544 0.2544-0.0000 ( 5440 PWs) bands (ev): -1.6742 -1.6734 -0.7269 -0.7186 0.1066 0.1084 4.2837 4.2843 4.4173 4.4654 4.9169 4.9172 5.0963 5.1376 5.1571 5.1645 5.5902 5.6428 5.8185 5.8299 6.0029 6.0285 6.2686 6.3212 6.3686 6.4133 6.8211 6.9195 6.9268 6.9947 7.6789 7.7731 8.0033 8.0821 8.9958 9.0284 9.3683 9.3829 10.0304 10.0624 10.9947 11.0155 k = 0.2456 0.2456-0.0000 ( 5440 PWs) bands (ev): -1.7417 -1.7409 -0.7692 -0.7611 0.1011 0.1027 4.3207 4.3294 4.4188 4.4564 4.9636 4.9703 5.1174 5.1623 5.1799 5.2003 5.5948 5.6670 5.8151 5.8267 6.0149 6.0530 6.2867 6.3345 6.3746 6.4309 6.8325 6.9279 6.9330 7.0077 7.7103 7.8031 8.0690 8.1534 9.0274 9.0641 9.4364 9.4545 9.9783 10.0132 10.9578 10.9780 k = 0.2368 0.2368-0.0000 ( 5444 PWs) bands (ev): -1.8080 -1.8073 -0.8112 -0.8034 0.0935 0.0951 4.3506 4.3751 4.4357 4.4553 5.0076 5.0233 5.1385 5.1809 5.1969 5.2378 5.6028 5.6911 5.8130 5.8262 6.0282 6.0771 6.3030 6.3451 6.3850 6.4531 6.8466 6.9398 6.9440 7.0257 7.7389 7.8305 8.1353 8.2253 9.0591 9.1000 9.4922 9.5149 9.9261 9.9651 10.9200 10.9395 k = 0.2281 0.2281-0.0000 ( 5448 PWs) bands (ev): -1.8729 -1.8722 -0.8529 -0.8453 0.0840 0.0856 4.3699 4.4134 4.4700 4.4715 5.0468 5.0739 5.1601 5.1960 5.2143 5.2721 5.6144 5.7127 5.8123 5.8285 6.0432 6.0996 6.3163 6.3533 6.4012 6.4795 6.8638 6.9496 6.9675 7.0498 7.7646 7.8547 8.2019 8.2972 9.0908 9.1361 9.5337 9.5621 9.8759 9.9202 10.8811 10.8998 k = 0.2193 0.2193-0.0000 ( 5444 PWs) bands (ev): -1.9363 -1.9356 -0.8941 -0.8868 0.0728 0.0742 4.3846 4.4339 4.5106 4.5198 5.0791 5.1161 5.1832 5.2130 5.2323 5.3057 5.6291 5.7296 5.8128 5.8336 6.0600 6.1197 6.3261 6.3598 6.4238 6.5097 6.8839 6.9587 7.0036 7.0817 7.7871 7.8754 8.2684 8.3690 9.1225 9.1722 9.5577 9.5919 9.8321 9.8821 10.8410 10.8588 k = 0.2105 0.2105-0.0000 ( 5440 PWs) bands (ev): -1.9980 -1.9973 -0.9346 -0.9275 0.0597 0.0611 4.4001 4.4481 4.5648 4.5744 5.1024 5.1407 5.2070 5.2430 5.2507 5.3411 5.6467 5.7416 5.8146 5.8403 6.0783 6.1365 6.3335 6.3650 6.4519 6.5430 6.9057 6.9676 7.0525 7.1232 7.8062 7.8923 8.3346 8.4403 9.1540 9.2081 9.5601 9.5964 9.8032 9.8552 10.7994 10.8166 k = 0.2018 0.2018-0.0000 ( 5444 PWs) bands (ev): -2.0579 -2.0572 -0.9744 -0.9676 0.0451 0.0465 4.4188 4.4642 4.6238 4.6324 5.1168 5.1486 5.2283 5.2693 5.2892 5.3794 5.6667 5.7495 5.8176 5.8473 6.0977 6.1497 6.3397 6.3695 6.4844 6.5792 6.9278 6.9762 7.1143 7.1760 7.8218 7.9050 8.4000 8.5106 9.1853 9.2438 9.5394 9.5707 9.7947 9.8417 10.7563 10.7731 k = 0.1930 0.1930-0.0000 ( 5444 PWs) bands (ev): -2.1160 -2.1153 -1.0132 -1.0066 0.0291 0.0303 4.4413 4.4841 4.6845 4.6920 5.1238 5.1481 5.2486 5.2877 5.3427 5.4198 5.6893 5.7549 5.8218 5.8535 6.1177 6.1592 6.3457 6.3740 6.5206 6.6181 6.9489 6.9844 7.1885 7.2410 7.8337 7.9134 8.4645 8.5796 9.2164 9.2790 9.4989 9.5220 9.8003 9.8392 10.7116 10.7284 k = 0.1842 0.1842-0.0000 ( 5440 PWs) bands (ev): -2.1720 -2.1714 -1.0510 -1.0447 0.0118 0.0130 4.4677 4.5081 4.7447 4.7511 5.1266 5.1450 5.2687 5.3060 5.3984 5.4605 5.7149 5.7587 5.8277 5.8585 6.1380 6.1653 6.3520 6.3791 6.5599 6.6594 6.9686 6.9921 7.2736 7.3177 7.8419 7.9174 8.5278 8.6468 9.2472 9.3135 9.4447 9.4604 9.8108 9.8425 10.6653 10.6826 k = 0.1754 0.1754-0.0000 ( 5452 PWs) bands (ev): -2.2260 -2.2255 -1.0876 -1.0816 -0.0065 -0.0054 4.4981 4.5362 4.8018 4.8073 5.1288 5.1433 5.2884 5.3243 5.4543 5.4988 5.7432 5.7617 5.8361 5.8626 6.1584 6.1684 6.3592 6.3854 6.6022 6.7029 6.9864 6.9993 7.3682 7.4049 7.8464 7.9172 8.5895 8.7119 9.2778 9.3467 9.3817 9.3915 9.8216 9.8479 10.6178 10.6361 k = 0.1667 0.1667-0.0000 ( 5444 PWs) bands (ev): -2.2779 -2.2774 -1.1230 -1.1173 -0.0256 -0.0246 4.5321 4.5682 4.8517 4.8564 5.1353 5.1475 5.3080 5.3427 5.5090 5.5330 5.7643 5.7725 5.8498 5.8661 6.1691 6.1792 6.3677 6.3933 6.6472 6.7483 7.0026 7.0060 7.4704 7.5005 7.8478 7.9133 8.6494 8.7742 9.3073 9.3102 9.3186 9.3810 9.8311 9.8536 10.5695 10.5894 k = 0.1579 0.1579-0.0000 ( 5438 PWs) bands (ev): -2.3275 -2.3270 -1.1571 -1.1517 -0.0453 -0.0444 4.5696 4.6038 4.8890 4.8929 5.1519 5.1629 5.3274 5.3615 5.5615 5.5620 5.7668 5.7970 5.8698 5.8744 6.1680 6.2009 6.3778 6.4033 6.6948 6.7951 7.0123 7.0171 7.5780 7.6014 7.8470 7.9075 8.7074 8.8330 9.2354 9.2403 9.3387 9.4125 9.8391 9.8587 10.5212 10.5430 k = 0.1491 0.1491-0.0000 ( 5440 PWs) bands (ev): -2.3748 -2.3743 -1.1897 -1.1846 -0.0654 -0.0646 4.6101 4.6426 4.9100 4.9131 5.1822 5.1929 5.3468 5.3811 5.5858 5.6103 5.7696 5.8128 5.8743 5.9132 6.1659 6.2241 6.3899 6.4157 6.7447 6.8421 7.0189 7.0298 7.6861 7.7012 7.8474 7.9050 8.7633 8.8870 9.1564 9.1615 9.3688 9.4429 9.8458 9.8632 10.4735 10.4976 k = 0.1404 0.1404-0.0000 ( 5436 PWs) bands (ev): -2.4198 -2.4193 -1.2209 -1.2161 -0.0856 -0.0849 4.6532 4.6842 4.9158 4.9183 5.2245 5.2355 5.3672 5.4023 5.6052 5.6535 5.7735 5.8225 5.8804 5.9623 6.1635 6.2496 6.4045 6.4308 6.7967 6.8871 7.0276 7.0407 7.7722 7.7781 7.8708 7.9265 8.8167 8.9318 9.0742 9.0853 9.3986 9.4716 9.8515 9.8672 10.4270 10.4536 k = 0.1316 0.1316-0.0000 ( 5436 PWs) bands (ev): -2.4623 -2.4619 -1.2505 -1.2460 -0.1058 -0.1052 4.6982 4.7281 4.9112 4.9134 5.2724 5.2837 5.3900 5.4263 5.6211 5.6886 5.7798 5.8292 5.8889 6.0161 6.1622 6.2780 6.4218 6.4489 6.8502 6.9252 7.0429 7.0497 7.7925 7.7999 7.9599 8.0036 8.8669 8.9393 8.9901 9.0399 9.4280 9.4983 9.8567 9.8710 10.3823 10.4115 k = 0.1228 0.1228-0.0000 ( 5432 PWs) bands (ev): -2.5023 -2.5019 -1.2784 -1.2742 -0.1258 -0.1252 4.7443 4.7732 4.9012 4.9032 5.3194 5.3290 5.4191 5.4550 5.6343 5.7127 5.7900 5.8343 5.9005 6.0688 6.1657 6.3102 6.4423 6.4703 6.9043 6.9492 7.0570 7.0715 7.7858 7.7900 8.0750 8.1122 8.8754 8.8874 8.9308 9.0596 9.4568 9.5227 9.8619 9.8752 10.3397 10.3718 k = 0.1140 0.1140-0.0000 ( 5424 PWs) bands (ev): -2.5398 -2.5394 -1.3046 -1.3007 -0.1452 -0.1447 4.7891 4.8168 4.8908 4.8923 5.3601 5.3641 5.4582 5.4903 5.6456 5.7258 5.8037 5.8384 5.9152 6.1066 6.1867 6.3468 6.4663 6.4950 6.9567 6.9580 7.0642 7.1139 7.7709 7.7732 8.1940 8.2291 8.7896 8.8057 8.9695 9.0952 9.4846 9.5444 9.8676 9.8800 10.2998 10.3347 k = 0.1053 0.1053-0.0000 ( 5436 PWs) bands (ev): -2.5746 -2.5743 -1.3291 -1.3255 -0.1640 -0.1636 4.8244 4.8443 4.8900 4.8959 5.3888 5.3927 5.5051 5.5316 5.6554 5.7313 5.8179 5.8418 5.9324 6.1189 6.2349 6.3877 6.4945 6.5234 6.9571 6.9999 7.0780 7.1644 7.7493 7.7587 8.3114 8.3469 8.6988 8.7144 9.0145 9.1305 9.5109 9.5631 9.8743 9.8860 10.2627 10.3005 k = 0.0965 0.0965-0.0000 ( 5432 PWs) bands (ev): -2.6069 -2.6066 -1.3518 -1.3485 -0.1820 -0.1816 4.8316 4.8395 4.9155 4.9331 5.4076 5.4187 5.5538 5.5755 5.6645 5.7328 5.8305 5.8448 5.9506 6.1197 6.2958 6.4326 6.5277 6.5554 6.9508 7.0190 7.1121 7.2185 7.7279 7.7434 8.4228 8.4597 8.6082 8.6231 9.0588 9.1633 9.5351 9.5783 9.8826 9.8937 10.2289 10.2692 k = 0.0877 0.0877-0.0000 ( 5432 PWs) bands (ev): -2.6364 -2.6361 -1.3727 -1.3697 -0.1990 -0.1986 4.8212 4.8253 4.9582 4.9795 5.4235 5.4406 5.6000 5.6176 5.6736 5.7320 5.8413 5.8475 5.9684 6.1171 6.3604 6.4796 6.5673 6.5908 6.9415 7.0176 7.1623 7.2737 7.7082 7.7283 8.4896 8.4924 8.5687 8.5915 9.1024 9.1933 9.5565 9.5897 9.8931 9.9035 10.1985 10.2410 k = 0.0789 0.0789-0.0000 ( 5446 PWs) bands (ev): -2.6633 -2.6630 -1.3916 -1.3889 -0.2148 -0.2145 4.8071 4.8099 5.0039 5.0267 5.4380 5.4601 5.6418 5.6520 5.6862 5.7299 5.8501 5.8506 5.9849 6.1134 6.4252 6.5253 6.6156 6.6294 6.9316 7.0065 7.2170 7.3284 7.6914 7.7137 8.4023 8.4136 8.6476 8.6893 9.1457 9.2209 9.5743 9.5972 9.9061 9.9159 10.1720 10.2159 k = 0.0702 0.0702-0.0000 ( 5437 PWs) bands (ev): -2.6874 -2.6872 -1.4087 -1.4063 -0.2293 -0.2290 4.7928 4.7949 5.0488 5.0724 5.4520 5.4783 5.6707 5.6782 5.7087 5.7269 5.8529 5.8588 5.9996 6.1092 6.4878 6.5669 6.6704 6.6740 6.9237 6.9901 7.2719 7.3814 7.6782 7.7001 8.3048 8.3168 8.7359 8.7842 9.1888 9.2469 9.5877 9.6008 9.9222 9.9313 10.1496 10.1939 k = 0.0614 0.0614-0.0000 ( 5453 PWs) bands (ev): -2.7087 -2.7085 -1.4238 -1.4217 -0.2424 -0.2421 4.7792 4.7809 5.0913 5.1152 5.4659 5.4955 5.6789 5.7091 5.7234 5.7348 5.8562 5.8660 6.0126 6.1048 6.5450 6.6034 6.7115 6.7409 6.9226 6.9707 7.3247 7.4315 7.6688 7.6876 8.2060 8.2177 8.8142 8.8680 9.2316 9.2721 9.5963 9.6006 9.9417 9.9499 10.1315 10.1747 k = 0.0526 0.0526-0.0000 ( 5453 PWs) bands (ev): -2.7272 -2.7271 -1.4369 -1.4351 -0.2539 -0.2537 4.7670 4.7683 5.1302 5.1540 5.4803 5.5120 5.6838 5.7191 5.7349 5.7571 5.8604 5.8722 6.0239 6.1002 6.5941 6.6349 6.7476 6.8119 6.9358 6.9523 7.3742 7.4772 7.6633 7.6765 8.1073 8.1180 8.8803 8.9376 9.2731 9.2972 9.5974 9.6000 9.9643 9.9715 10.1179 10.1581 k = 0.0439 0.0439-0.0000 ( 5453 PWs) bands (ev): -2.7430 -2.7428 -1.4480 -1.4465 -0.2638 -0.2637 4.7562 4.7574 5.1648 5.1876 5.4954 5.5275 5.6870 5.7147 5.7556 5.7740 5.8654 5.8773 6.0339 6.0956 6.6326 6.6610 6.7731 6.8712 6.9501 6.9706 7.4189 7.5170 7.6612 7.6670 8.0099 8.0192 8.9343 8.9915 9.3115 9.3224 9.5920 9.5993 9.9891 9.9955 10.1083 10.1436 k = 0.0351 0.0351-0.0000 ( 5449 PWs) bands (ev): -2.7558 -2.7557 -1.4570 -1.4558 -0.2721 -0.2720 4.7473 4.7482 5.1944 5.2149 5.5110 5.5414 5.6890 5.7100 5.7718 5.7859 5.8710 5.8814 6.0427 6.0909 6.6599 6.6810 6.7892 6.8805 7.0017 7.0251 7.4579 7.5489 7.6597 7.6619 7.9154 7.9229 8.9772 9.0299 9.3450 9.3469 9.5856 9.5953 10.0146 10.0203 10.1024 10.1304 k = 0.0263 0.0263-0.0000 ( 5455 PWs) bands (ev): -2.7659 -2.7658 -1.4641 -1.4632 -0.2786 -0.2785 4.7402 4.7409 5.2185 5.2354 5.5267 5.5528 5.6900 5.7053 5.7841 5.7937 5.8765 5.8844 6.0505 6.0860 6.6769 6.6939 6.8019 6.8682 7.0772 7.0902 7.4902 7.5703 7.6554 7.6641 7.8269 7.8321 9.0106 9.0542 9.3691 9.3718 9.5797 9.5893 10.0386 10.0441 10.0994 10.1180 k = 0.0175 0.0175-0.0000 ( 5451 PWs) bands (ev): -2.7730 -2.7730 -1.4691 -1.4685 -0.2832 -0.2832 4.7351 4.7356 5.2368 5.2489 5.5413 5.5606 5.6907 5.7007 5.7927 5.7984 5.8811 5.8862 6.0576 6.0809 6.6869 6.7000 6.8140 6.8556 7.1504 7.1556 7.5157 7.5787 7.6534 7.6653 7.7505 7.7536 9.0359 9.0669 9.3870 9.3907 9.5754 9.5830 10.0589 10.0645 10.0980 10.1069 k = 0.0088 0.0088-0.0000 ( 5453 PWs) bands (ev): -2.7773 -2.7773 -1.4720 -1.4717 -0.2860 -0.2860 4.7321 4.7323 5.2492 5.2555 5.5532 5.5636 5.6917 5.6967 5.7981 5.8007 5.8844 5.8868 6.0641 6.0756 6.6931 6.7006 6.8253 6.8450 7.2075 7.2084 7.5356 7.5727 7.6481 7.6588 7.7013 7.7036 9.0540 9.0701 9.3991 9.4015 9.5735 9.5776 10.0743 10.0798 10.0964 10.0972 k = 0.0000 0.0000 0.0000 ( 5465 PWs) bands (ev): -2.7788 -2.7788 -1.4729 -1.4729 -0.2869 -0.2869 4.7312 4.7312 5.2555 5.2555 5.5610 5.5610 5.6936 5.6936 5.8006 5.8006 5.8863 5.8863 6.0700 6.0700 6.6977 6.6977 6.8354 6.8354 7.2301 7.2301 7.5546 7.5546 7.6451 7.6451 7.6905 7.6905 9.0655 9.0655 9.4041 9.4041 9.5742 9.5742 10.0845 10.0845 10.0928 10.0928 k = 0.0000 0.0000 0.0000 ( 5465 PWs) bands (ev): -2.7788 -2.7788 -1.4729 -1.4729 -0.2869 -0.2869 4.7312 4.7312 5.2555 5.2555 5.5610 5.5610 5.6936 5.6936 5.8006 5.8006 5.8863 5.8863 6.0700 6.0700 6.6977 6.6977 6.8354 6.8354 7.2301 7.2301 7.5546 7.5546 7.6451 7.6451 7.6905 7.6905 9.0655 9.0655 9.4041 9.4041 9.5742 9.5742 10.0845 10.0845 10.0928 10.0928 k = 0.0000 0.0000 0.0119 ( 5465 PWs) bands (ev): -2.7776 -2.7776 -1.4772 -1.4772 -0.2828 -0.2828 4.7214 4.7214 5.2602 5.2602 5.5613 5.5613 5.6953 5.6953 5.8007 5.8007 5.8862 5.8862 6.0747 6.0747 6.6981 6.6981 6.8365 6.8365 7.2304 7.2304 7.5542 7.5542 7.6428 7.6428 7.6892 7.6892 9.0667 9.0667 9.4067 9.4067 9.5733 9.5733 10.0826 10.0826 10.0886 10.0886 k = 0.0000 0.0000 0.0238 ( 5457 PWs) bands (ev): -2.7743 -2.7743 -1.4897 -1.4897 -0.2706 -0.2706 4.6936 4.6936 5.2730 5.2730 5.5620 5.5620 5.7001 5.7001 5.8010 5.8010 5.8862 5.8862 6.0890 6.0890 6.6992 6.6992 6.8396 6.8396 7.2312 7.2312 7.5530 7.5530 7.6362 7.6362 7.6853 7.6853 9.0703 9.0703 9.4143 9.4143 9.5702 9.5702 10.0680 10.0680 10.0855 10.0855 k = 0.0000 0.0000 0.0358 ( 5477 PWs) bands (ev): -2.7686 -2.7686 -1.5099 -1.5099 -0.2510 -0.2510 4.6517 4.6517 5.2905 5.2905 5.5629 5.5629 5.7073 5.7073 5.8013 5.8013 5.8860 5.8860 6.1128 6.1128 6.7010 6.7010 6.8448 6.8448 7.2327 7.2327 7.5510 7.5510 7.6257 7.6257 7.6790 7.6790 9.0758 9.0758 9.4268 9.4268 9.5645 9.5645 10.0421 10.0421 10.0844 10.0844 k = 0.0000 0.0000 0.0477 ( 5465 PWs) bands (ev): -2.7608 -2.7608 -1.5368 -1.5368 -0.2250 -0.2250 4.6002 4.6002 5.3095 5.3095 5.5642 5.5642 5.7161 5.7161 5.8018 5.8018 5.8859 5.8859 6.1459 6.1459 6.7035 6.7035 6.8521 6.8521 7.2349 7.2349 7.5479 7.5479 7.6121 7.6121 7.6702 7.6702 9.0821 9.0821 9.4436 9.4436 9.5552 9.5552 10.0102 10.0102 10.0832 10.0832 k = 0.0000 0.0000 0.0596 ( 5457 PWs) bands (ev): -2.7509 -2.7509 -1.5693 -1.5693 -0.1939 -0.1939 4.5425 4.5425 5.3278 5.3278 5.5655 5.5655 5.7253 5.7253 5.8025 5.8025 5.8858 5.8858 6.1875 6.1875 6.7068 6.7068 6.8614 6.8614 7.2381 7.2381 7.5434 7.5434 7.5966 7.5966 7.6592 7.6592 9.0879 9.0879 9.4640 9.4640 9.5417 9.5417 9.9762 9.9762 10.0819 10.0819 k = 0.0000 0.0000 0.0715 ( 5461 PWs) bands (ev): -2.7389 -2.7389 -1.6062 -1.6062 -0.1590 -0.1590 4.4816 4.4816 5.3444 5.3444 5.5669 5.5669 5.7342 5.7342 5.8033 5.8033 5.8857 5.8857 6.2364 6.2364 6.7107 6.7107 6.8727 6.8727 7.2424 7.2424 7.5355 7.5355 7.5818 7.5818 7.6464 7.6464 9.0909 9.0909 9.4850 9.4850 9.5256 9.5256 9.9442 9.9442 10.0805 10.0805 k = 0.0000 0.0000 0.0835 ( 5449 PWs) bands (ev): -2.7249 -2.7249 -1.6464 -1.6464 -0.1213 -0.1213 4.4194 4.4194 5.3589 5.3589 5.5683 5.5683 5.7423 5.7423 5.8043 5.8043 5.8856 5.8856 6.2906 6.2906 6.7154 6.7154 6.8861 6.8861 7.2482 7.2482 7.5218 7.5218 7.5714 7.5714 7.6321 7.6321 9.0880 9.0880 9.4866 9.4866 9.5271 9.5271 9.9177 9.9177 10.0790 10.0790 k = 0.0000 0.0000 0.0954 ( 5449 PWs) bands (ev): -2.7090 -2.7090 -1.6889 -1.6889 -0.0823 -0.0823 4.3576 4.3576 5.3714 5.3714 5.5697 5.5697 5.7493 5.7493 5.8053 5.8053 5.8855 5.8855 6.3480 6.3480 6.7207 6.7207 6.9014 6.9014 7.2556 7.2556 7.5014 7.5014 7.5670 7.5670 7.6168 7.6168 9.0748 9.0748 9.4649 9.4649 9.5527 9.5527 9.8984 9.8984 10.0775 10.0775 k = 0.0000 0.0000 0.1073 ( 5445 PWs) bands (ev): -2.6914 -2.6914 -1.7329 -1.7329 -0.0428 -0.0428 4.2974 4.2974 5.3822 5.3822 5.5710 5.5710 5.7554 5.7554 5.8064 5.8064 5.8854 5.8854 6.4061 6.4061 6.7267 6.7267 6.9185 6.9185 7.2647 7.2647 7.4767 7.4767 7.5676 7.5676 7.6014 7.6014 9.0467 9.0467 9.4436 9.4436 9.5832 9.5832 9.8864 9.8864 10.0760 10.0760 k = 0.0000 0.0000 0.1192 ( 5441 PWs) bands (ev): -2.6724 -2.6724 -1.7773 -1.7773 -0.0039 -0.0039 4.2400 4.2400 5.3915 5.3915 5.5722 5.5722 5.7605 5.7605 5.8076 5.8076 5.8854 5.8854 6.4626 6.4626 6.7334 6.7334 6.9373 6.9373 7.2757 7.2757 7.4495 7.4495 7.5707 7.5707 7.5885 7.5885 9.0009 9.0009 9.4297 9.4297 9.6149 9.6149 9.8808 9.8808 10.0745 10.0745 k = 0.0000 0.0000 0.1312 ( 5445 PWs) bands (ev): -2.6521 -2.6521 -1.8215 -1.8215 0.0335 0.0335 4.1861 4.1861 5.3994 5.3994 5.5734 5.5734 5.7647 5.7647 5.8087 5.8087 5.8853 5.8853 6.5152 6.5152 6.7408 6.7408 6.9573 6.9573 7.2879 7.2879 7.4212 7.4212 7.5640 7.5640 7.5917 7.5917 8.9385 8.9385 9.4245 9.4245 9.6468 9.6468 9.8800 9.8800 10.0732 10.0732 k = 0.0000 0.0000 0.1431 ( 5453 PWs) bands (ev): -2.6310 -2.6310 -1.8646 -1.8646 0.0686 0.0686 4.1366 4.1366 5.4062 5.4062 5.5745 5.5745 5.7682 5.7682 5.8099 5.8099 5.8852 5.8852 6.5620 6.5620 6.7489 6.7489 6.9783 6.9783 7.3002 7.3002 7.3927 7.3927 7.5501 7.5501 7.6102 7.6102 8.8630 8.8630 9.4264 9.4264 9.6778 9.6778 9.8825 9.8825 10.0719 10.0719 k = 0.0000 0.0000 0.1550 ( 5461 PWs) bands (ev): -2.6094 -2.6094 -1.9057 -1.9057 0.1007 0.1007 4.0922 4.0922 5.4120 5.4120 5.5754 5.5754 5.7711 5.7711 5.8109 5.8109 5.8851 5.8851 6.6017 6.6017 6.7578 6.7578 6.9996 6.9996 7.3106 7.3106 7.3657 7.3657 7.5363 7.5363 7.6387 7.6387 8.7791 8.7791 9.4327 9.4327 9.7070 9.7070 9.8870 9.8870 10.0707 10.0707 k = 0.0000 0.0000 0.1669 ( 5469 PWs) bands (ev): -2.5882 -2.5882 -1.9440 -1.9440 0.1291 0.1291 4.0535 4.0535 5.4168 5.4168 5.5763 5.5763 5.7734 5.7734 5.8119 5.8119 5.8850 5.8850 6.6335 6.6335 6.7672 6.7672 7.0208 7.0208 7.3129 7.3129 7.3458 7.3458 7.5238 7.5238 7.6769 7.6769 8.6909 8.6909 9.4410 9.4410 9.7336 9.7336 9.8924 9.8924 10.0697 10.0697 k = 0.0000 0.0000 0.1788 ( 5469 PWs) bands (ev): -2.5682 -2.5682 -1.9783 -1.9783 0.1531 0.1531 4.0211 4.0211 5.4207 5.4207 5.5770 5.5770 5.7752 5.7752 5.8128 5.8128 5.8850 5.8850 6.6576 6.6576 6.7767 6.7767 7.0415 7.0415 7.2970 7.2970 7.3429 7.3429 7.5129 7.5129 7.7236 7.7236 8.6023 8.6023 9.4498 9.4498 9.7568 9.7568 9.8979 9.8979 10.0688 10.0688 k = 0.0000 0.0000 0.1908 ( 5465 PWs) bands (ev): -2.5503 -2.5503 -2.0073 -2.0073 0.1724 0.1724 3.9953 3.9953 5.4237 5.4237 5.5776 5.5776 5.7766 5.7766 5.8135 5.8135 5.8850 5.8850 6.6746 6.6746 6.7856 6.7856 7.0609 7.0609 7.2744 7.2744 7.3464 7.3464 7.5041 7.5041 7.7755 7.7755 8.5179 8.5179 9.4576 9.4576 9.7757 9.7757 9.9029 9.9029 10.0681 10.0681 k = 0.0000 0.0000 0.2027 ( 5457 PWs) bands (ev): -2.5361 -2.5361 -2.0297 -2.0297 0.1864 0.1864 3.9766 3.9766 5.4259 5.4259 5.5780 5.5780 5.7776 5.7776 5.8141 5.8141 5.8850 5.8850 6.6858 6.6858 6.7928 6.7928 7.0781 7.0781 7.2536 7.2536 7.3496 7.3496 7.4977 7.4977 7.8266 7.8266 8.4440 8.4440 9.4638 9.4638 9.7898 9.7898 9.9068 9.9068 10.0676 10.0676 k = 0.0000 0.0000 0.2146 ( 5457 PWs) bands (ev): -2.5268 -2.5268 -2.0439 -2.0439 0.1950 0.1950 3.9653 3.9653 5.4272 5.4272 5.5782 5.5782 5.7782 5.7782 5.8144 5.8144 5.8850 5.8850 6.6920 6.6920 6.7974 6.7974 7.0907 7.0907 7.2385 7.2385 7.3516 7.3516 7.4937 7.4937 7.8667 7.8667 8.3904 8.3904 9.4677 9.4677 9.7985 9.7985 9.9093 9.9093 10.0673 10.0673 k = 0.0000 0.0000 0.2265 ( 5460 PWs) bands (ev): -2.5236 -2.5236 -2.0487 -2.0487 0.1979 0.1979 3.9615 3.9615 5.4276 5.4276 5.5783 5.5783 5.7784 5.7784 5.8145 5.8145 5.8850 5.8850 6.6940 6.6940 6.7991 6.7991 7.0955 7.0955 7.2328 7.2328 7.3522 7.3522 7.4924 7.4924 7.8825 7.8825 8.3701 8.3701 9.4690 9.4690 9.8014 9.8014 9.9102 9.9102 10.0672 10.0672 k = 0.0000 0.0000 0.2265 ( 5460 PWs) bands (ev): -2.5236 -2.5236 -2.0487 -2.0487 0.1979 0.1979 3.9615 3.9615 5.4276 5.4276 5.5783 5.5783 5.7784 5.7784 5.8145 5.8145 5.8850 5.8850 6.6940 6.6940 6.7991 6.7991 7.0955 7.0955 7.2328 7.2328 7.3522 7.3522 7.4924 7.4924 7.8825 7.8825 8.3701 8.3701 9.4690 9.4690 9.8014 9.8014 9.9102 9.9102 10.0672 10.0672 k = 0.0000 0.0125 0.2265 ( 5458 PWs) bands (ev): -2.5222 -2.5221 -2.0475 -2.0474 0.1983 0.1984 3.9618 3.9636 5.4241 5.4298 5.5756 5.5799 5.7746 5.7795 5.8110 5.8173 5.8827 5.8853 6.6617 6.7166 6.7721 6.8201 7.0885 7.0902 7.2021 7.2216 7.3540 7.3561 7.5055 7.5097 7.8810 7.8904 8.3770 8.3804 9.4596 9.4619 9.7835 9.7879 9.9109 9.9114 10.0891 10.0896 k = 0.0000 0.0250 0.2265 ( 5462 PWs) bands (ev): -2.5180 -2.5179 -2.0437 -2.0434 0.1996 0.1999 3.9643 3.9679 5.4191 5.4307 5.5718 5.5802 5.7682 5.7779 5.8066 5.8191 5.8790 5.8837 6.6208 6.7112 6.7564 6.8343 7.0684 7.0742 7.1393 7.1847 7.3615 7.3641 7.5418 7.5447 7.8871 7.9014 8.4015 8.4062 9.4342 9.4379 9.7469 9.7561 9.9134 9.9140 10.1251 10.1260 k = 0.0000 0.0375 0.2265 ( 5466 PWs) bands (ev): -2.5109 -2.5109 -2.0373 -2.0369 0.2020 0.2024 3.9691 3.9744 5.4127 5.4302 5.5667 5.5791 5.7593 5.7732 5.8013 5.8194 5.8744 5.8804 6.5708 6.6641 6.7641 6.8397 7.0300 7.0401 7.0799 7.1414 7.3719 7.3784 7.5849 7.5850 7.8992 7.9120 8.4418 8.4451 9.3936 9.3977 9.7078 9.7230 9.9176 9.9179 10.1132 10.1135 k = 0.0000 0.0500 0.2265 ( 5462 PWs) bands (ev): -2.5011 -2.5011 -2.0284 -2.0278 0.2052 0.2057 3.9761 3.9832 5.4044 5.4282 5.5602 5.5762 5.7478 5.7650 5.7947 5.8180 5.8699 5.8757 6.5120 6.6000 6.7686 6.8275 6.9620 6.9857 7.0633 7.1033 7.3882 7.3956 7.6241 7.6268 7.9149 7.9208 8.4936 8.4944 9.3408 9.3442 9.6729 9.6948 9.9231 9.9238 10.0921 10.0928 k = 0.0000 0.0625 0.2265 ( 5458 PWs) bands (ev): -2.4885 -2.4884 -2.0169 -2.0162 0.2092 0.2099 3.9851 3.9941 5.3941 5.4243 5.5517 5.5706 5.7337 5.7530 5.7864 5.8146 5.8661 5.8701 6.4453 6.5257 6.7523 6.7819 6.8905 6.9579 7.0578 7.0728 7.4096 7.4158 7.6579 7.6635 7.9285 7.9324 8.5478 8.5546 9.2796 9.2820 9.6432 9.6718 9.9299 9.9322 10.0669 10.0676 k = 0.0000 0.0750 0.2265 ( 5462 PWs) bands (ev): -2.4732 -2.4730 -2.0029 -2.0020 0.2140 0.2148 3.9962 4.0072 5.3811 5.4184 5.5406 5.5613 5.7170 5.7368 5.7764 5.8090 5.8632 5.8642 6.3731 6.4449 6.6917 6.7052 6.8581 6.9516 7.0487 7.0570 7.4351 7.4393 7.6830 7.6929 7.9377 7.9512 8.6034 8.6172 9.2147 9.2158 9.6178 9.6526 9.9386 9.9433 10.0387 10.0396 k = 0.0000 0.0875 0.2265 ( 5458 PWs) bands (ev): -2.4550 -2.4549 -1.9863 -1.9854 0.2194 0.2204 4.0092 4.0222 5.3647 5.4097 5.5259 5.5466 5.6975 5.7166 5.7647 5.8013 5.8581 5.8611 6.2987 6.3616 6.6016 6.6136 6.8533 6.9551 7.0296 7.0595 7.4645 7.4661 7.6966 7.7138 7.9509 7.9714 8.6553 8.6768 9.1499 9.1505 9.5960 9.6363 9.9497 9.9575 10.0089 10.0098 k = 0.0000 0.1000 0.2265 ( 5458 PWs) bands (ev): -2.4341 -2.4340 -1.9674 -1.9662 0.2253 0.2265 4.0239 4.0391 5.3440 5.3977 5.5063 5.5237 5.6752 5.6927 5.7518 5.7914 5.8520 5.8594 6.2258 6.2795 6.5047 6.5175 6.8563 6.9615 7.0147 7.0642 7.4957 7.4972 7.6977 7.7253 7.9694 7.9932 8.6973 8.7264 9.0900 9.0923 9.5776 9.6221 9.9634 9.9731 9.9791 9.9816 k = 0.0000 0.1125 0.2265 ( 5440 PWs) bands (ev): -2.4105 -2.4103 -1.9459 -1.9447 0.2317 0.2330 4.0401 4.0576 5.3175 5.3813 5.4800 5.4898 5.6505 5.6655 5.7388 5.7792 5.8460 5.8577 6.1582 6.2027 6.4095 6.4223 6.8609 6.9674 7.0037 7.0703 7.5270 7.5329 7.6881 7.7277 7.9929 8.0165 8.7211 8.7561 9.0448 9.0474 9.5626 9.6102 9.9464 9.9473 9.9842 9.9992 k = 0.0000 0.1250 0.2265 ( 5440 PWs) bands (ev): -2.3842 -2.3840 -1.9221 -1.9207 0.2383 0.2398 4.0576 4.0776 5.2837 5.3588 5.4423 5.4446 5.6235 5.6356 5.7266 5.7648 5.8399 5.8556 6.0992 6.1344 6.3205 6.3318 6.8653 6.9696 6.9974 7.0768 7.5565 7.5709 7.6730 7.7218 8.0195 8.0407 8.7185 8.7543 9.0233 9.0250 9.5514 9.6006 9.9162 9.9170 10.0080 10.0271 k = 0.0000 0.1375 0.2265 ( 5434 PWs) bands (ev): -2.3551 -2.3549 -1.8959 -1.8944 0.2449 0.2465 4.0761 4.0987 5.2403 5.3273 5.3818 5.3985 5.5945 5.6042 5.7163 5.7490 5.8335 5.8530 6.0504 6.0770 6.2411 6.2490 6.8687 6.9660 6.9964 7.0830 7.5727 7.6098 7.6659 7.7099 8.0475 8.0652 8.6892 8.7210 9.0197 9.0297 9.5444 9.5940 9.8869 9.8875 10.0380 10.0609 k = 0.0000 0.1500 0.2265 ( 5434 PWs) bands (ev): -2.3235 -2.3232 -1.8675 -1.8659 0.2514 0.2532 4.0949 4.1204 5.1856 5.2780 5.3163 5.3413 5.5643 5.5722 5.7082 5.7331 5.8268 5.8495 6.0118 6.0307 6.1737 6.1762 6.8707 6.9581 6.9976 7.0879 7.5597 7.6431 7.6843 7.6993 8.0755 8.0891 8.6426 8.6696 9.0274 9.0452 9.5418 9.5908 9.8590 9.8595 10.0744 10.1007 k = 0.0000 0.1625 0.2265 ( 5448 PWs) bands (ev): -2.2892 -2.2889 -1.8368 -1.8351 0.2575 0.2594 4.1135 4.1422 5.1188 5.2001 5.2585 5.2742 5.5339 5.5407 5.7020 5.7183 5.8200 5.8448 5.9820 5.9942 6.1150 6.1195 6.8706 6.9472 6.9982 7.0903 7.5277 7.6455 7.7161 7.7196 8.1025 8.1117 8.5883 8.6114 9.0376 9.0608 9.5441 9.5918 9.8327 9.8333 10.1171 10.1463 k = 0.0000 0.1750 0.2265 ( 5444 PWs) bands (ev): -2.2523 -2.2520 -1.8040 -1.8022 0.2630 0.2651 4.1310 4.1632 5.0406 5.1065 5.1988 5.1996 5.5044 5.5105 5.6975 5.7055 5.8130 5.8388 5.9592 5.9658 6.0656 6.0784 6.8678 6.9329 6.9970 7.0888 7.4900 7.6238 7.7546 7.7603 8.1275 8.1321 8.5328 8.5525 9.0455 9.0716 9.5514 9.5976 9.8085 9.8090 10.1655 10.1973 k = 0.0000 0.1875 0.2265 ( 5446 PWs) bands (ev): -2.2128 -2.2125 -1.7692 -1.7673 0.2675 0.2698 4.1459 4.1818 4.9541 5.0072 5.1198 5.1322 5.4763 5.4820 5.6943 5.6948 5.8062 5.8313 5.9415 5.9440 6.0271 6.0484 6.8612 6.9135 6.9944 7.0819 7.4532 7.5974 7.7957 7.8018 8.1496 8.1496 8.4802 8.4969 9.0490 9.0759 9.5642 9.6088 9.7866 9.7871 10.2188 10.2527 k = 0.0000 0.2000 0.2265 ( 5456 PWs) bands (ev): -2.1708 -2.1705 -1.7323 -1.7304 0.2709 0.2733 4.1561 4.1957 4.8636 4.9072 5.0374 5.0601 5.4497 5.4549 5.6860 5.6921 5.7997 5.8229 5.9275 5.9276 5.9980 6.0273 6.8490 6.8873 6.9908 7.0686 7.4213 7.5712 7.8342 7.8410 8.1633 8.1675 8.4343 8.4484 9.0478 9.0735 9.5826 9.6258 9.7669 9.7675 10.2759 10.3116 k = 0.0000 0.2125 0.2265 ( 5454 PWs) bands (ev): -2.1264 -2.1260 -1.6937 -1.6916 0.2727 0.2753 4.1583 4.2012 4.7749 4.8111 4.9547 4.9851 5.4245 5.4292 5.6792 5.6907 5.7937 5.8146 5.9151 5.9164 5.9764 6.0124 6.8285 6.8528 6.9871 7.0501 7.3970 7.5471 7.8659 7.8744 8.1731 8.1802 8.3991 8.4110 9.0417 9.0651 9.6068 9.6485 9.7499 9.7504 10.3354 10.3726 k = 0.0000 0.2250 0.2265 ( 5448 PWs) bands (ev): -2.0795 -2.0791 -1.6532 -1.6511 0.2727 0.2754 4.1479 4.1924 4.6952 4.7241 4.8740 4.9106 5.4004 5.4047 5.6741 5.6896 5.7886 5.8071 5.9052 5.9071 5.9609 6.0021 6.7969 6.8096 6.9837 7.0299 7.3807 7.5261 7.8858 7.8970 8.1805 8.1881 8.3777 8.3889 9.0313 9.0516 9.6367 9.6767 9.7355 9.7359 10.3957 10.4337 k = 0.0000 0.2375 0.2265 ( 5446 PWs) bands (ev): -2.0303 -2.0299 -1.6112 -1.6091 0.2706 0.2734 4.1194 4.1620 4.6315 4.6512 4.7985 4.8398 5.3772 5.3811 5.6704 5.6886 5.7847 5.8010 5.8965 5.8987 5.9502 5.9952 6.7523 6.7581 6.9807 7.0118 7.3709 7.5084 7.8890 7.9040 8.1890 8.1944 8.3712 8.3835 9.0172 9.0341 9.6720 9.7078 9.7243 9.7264 10.4542 10.4906 k = 0.0000 0.2500 0.2265 ( 5442 PWs) bands (ev): -1.9787 -1.9783 -1.5677 -1.5655 0.2658 0.2688 4.0689 4.1061 4.5854 4.5944 4.7330 4.7770 5.3548 5.3583 5.6679 5.6869 5.7823 5.7967 5.8880 5.8906 5.9436 5.9907 6.6957 6.6998 6.9784 6.9981 7.3655 7.4935 7.8745 7.8928 8.2003 8.2027 8.3787 8.3931 9.0001 9.0135 9.7071 9.7111 9.7209 9.7528 10.5054 10.5319 k = 0.0000 0.2625 0.2265 ( 5446 PWs) bands (ev): -1.9250 -1.9245 -1.5229 -1.5207 0.2583 0.2614 3.9976 4.0277 4.5470 4.5491 4.6864 4.7276 5.3330 5.3363 5.6663 5.6836 5.7821 5.7941 5.8790 5.8825 5.9404 5.9882 6.6302 6.6364 6.9768 6.9886 7.3623 7.4805 7.8456 7.8663 8.2119 8.2126 8.3990 8.4152 8.9807 8.9907 9.7047 9.7060 9.7614 9.7964 10.5412 10.5496 k = 0.0000 0.2750 0.2265 ( 5448 PWs) bands (ev): -1.8690 -1.8685 -1.4770 -1.4749 0.2475 0.2507 3.9104 3.9340 4.5031 4.5071 4.6660 4.6963 5.3121 5.3151 5.6648 5.6774 5.7844 5.7933 5.8690 5.8740 5.9401 5.9874 6.5596 6.5700 6.9758 6.9825 7.3595 7.4681 7.8075 7.8295 8.2200 8.2209 8.4309 8.4478 8.9595 8.9663 9.7000 9.7018 9.8122 9.8452 10.5576 10.5617 k = 0.0000 0.2875 0.2265 ( 5446 PWs) bands (ev): -1.8109 -1.8104 -1.4302 -1.4281 0.2331 0.2365 3.8132 3.8317 4.4532 4.4634 4.6670 4.6834 5.2920 5.2948 5.6625 5.6672 5.7893 5.7936 5.8585 5.8658 5.9424 5.9879 6.4875 6.5028 6.9754 6.9788 7.3557 7.4552 7.7643 7.7871 8.2228 8.2251 8.4717 8.4885 8.9373 8.9412 9.6976 9.6996 9.8677 9.8984 10.5663 10.5768 k = 0.0000 0.3000 0.2265 ( 5442 PWs) bands (ev): -1.7508 -1.7503 -1.3827 -1.3807 0.2150 0.2185 3.7108 3.7253 4.4035 4.4195 4.6796 4.6836 5.2727 5.2753 5.6515 5.6574 5.7934 5.7961 5.8493 5.8588 5.9470 5.9896 6.4172 6.4372 6.9758 6.9769 7.3496 7.4407 7.7188 7.7420 8.2207 8.2246 8.5188 8.5352 8.9146 8.9157 9.6973 9.6996 9.9272 9.9557 10.5790 10.5930 k = 0.0000 0.3125 0.2265 ( 5440 PWs) bands (ev): -1.6887 -1.6882 -1.3349 -1.3329 0.1929 0.1964 3.6064 3.6179 4.3578 4.3782 4.6918 4.6977 5.2543 5.2566 5.6291 5.6470 5.7895 5.8024 5.8459 5.8555 5.9537 5.9925 6.3517 6.3753 6.9765 6.9769 7.3404 7.4234 7.6729 7.6962 8.2146 8.2199 8.5694 8.5857 8.8904 8.8920 9.6989 9.7016 9.9905 10.0166 10.5966 10.6130 k = 0.0000 0.3250 0.2265 ( 5436 PWs) bands (ev): -1.6249 -1.6243 -1.2869 -1.2850 0.1665 0.1701 3.5021 3.5113 4.3180 4.3418 4.7039 4.7181 5.2369 5.2389 5.5989 5.6275 5.7806 5.8045 5.8515 5.8595 5.9628 5.9965 6.2934 6.3189 6.9773 6.9788 7.3274 7.4023 7.6277 7.6507 8.2056 8.2119 8.6214 8.6381 8.8658 8.8701 9.7024 9.7054 10.0569 10.0808 10.6192 10.6374 k = 0.0000 0.3375 0.2265 ( 5424 PWs) bands (ev): -1.5593 -1.5587 -1.2392 -1.2374 0.1357 0.1394 3.3996 3.4070 4.2853 4.3117 4.7175 4.7389 5.2205 5.2223 5.5604 5.5956 5.7706 5.8017 5.8646 5.8708 5.9749 6.0018 6.2444 6.2695 6.9791 6.9816 7.3101 7.3768 7.5838 7.6061 8.1949 8.2016 8.6725 8.6905 8.8426 8.8503 9.7076 9.7108 10.1261 10.1477 10.6466 10.6662 k = 0.0000 0.3500 0.2265 ( 5438 PWs) bands (ev): -1.4920 -1.4915 -1.1920 -1.1904 0.1006 0.1043 3.3001 3.3060 4.2601 4.2887 4.7309 4.7591 5.2051 5.2066 5.5137 5.5502 5.7626 5.7966 5.8822 5.8859 5.9906 6.0088 6.2053 6.2279 6.9818 6.9852 7.2881 7.3464 7.5417 7.5627 8.1833 8.1901 8.7189 8.7399 8.8233 8.8357 9.7142 9.7177 10.1974 10.2170 10.6782 10.6989 k = 0.0000 0.3625 0.2265 ( 5440 PWs) bands (ev): -1.4234 -1.4229 -1.1457 -1.1444 0.0610 0.0648 3.2046 3.2094 4.2426 4.2733 4.7430 4.7777 5.1908 5.1920 5.4598 5.4931 5.7573 5.7909 5.9015 5.9019 6.0109 6.0179 6.1765 6.1944 6.9853 6.9898 7.2617 7.3113 7.5012 7.5206 8.1716 8.1781 8.7495 8.7700 8.8234 8.8367 9.7220 9.7258 10.2705 10.2882 10.7130 10.7346 k = 0.0000 0.3750 0.2265 ( 5448 PWs) bands (ev): -1.3534 -1.3530 -1.1008 -1.0998 0.0171 0.0209 3.1140 3.1178 4.2330 4.2655 4.7528 4.7941 5.1777 5.1785 5.4006 5.4277 5.7541 5.7855 5.9156 5.9212 6.0293 6.0353 6.1583 6.1696 6.9894 6.9954 7.2312 7.2717 7.4622 7.4796 8.1606 8.1664 8.7526 8.7623 8.8609 8.8645 9.7309 9.7348 10.3446 10.3605 10.7502 10.7724 k = 0.0000 0.3875 0.2265 ( 5446 PWs) bands (ev): -1.2822 -1.2820 -1.0577 -1.0570 -0.0310 -0.0272 3.0290 3.0320 4.2312 4.2656 4.7593 4.8078 5.1657 5.1660 5.3383 5.3574 5.7522 5.7806 5.9276 5.9379 6.0416 6.0604 6.1522 6.1556 6.9938 7.0018 7.1976 7.2283 7.4246 7.4397 8.1506 8.1557 8.7414 8.7454 8.9055 8.9066 9.7404 9.7445 10.4191 10.4335 10.7886 10.8108 k = 0.0000 0.4000 0.2265 ( 5446 PWs) bands (ev): -1.2102 -1.2101 -1.0167 -1.0165 -0.0830 -0.0792 2.9504 2.9528 4.2370 4.2732 4.7616 4.8179 5.1544 5.1549 5.2753 5.2854 5.7511 5.7763 5.9376 5.9507 6.0507 6.0770 6.1600 6.1614 6.9973 7.0088 7.1621 7.1823 7.3880 7.4008 8.1419 8.1461 8.7268 8.7282 8.9482 8.9512 9.7504 9.7545 10.4932 10.5062 10.8269 10.8484 k = 0.0000 0.4125 0.2265 ( 5434 PWs) bands (ev): -1.1379 -1.1376 -0.9787 -0.9781 -0.1388 -0.1350 2.8790 2.8808 4.2500 4.2882 4.7585 4.8235 5.1430 5.1452 5.2145 5.2157 5.7507 5.7725 5.9459 5.9599 6.0544 6.0791 6.1862 6.1868 6.9979 7.0153 7.1279 7.1354 7.3528 7.3631 8.1345 8.1380 8.7122 8.7123 8.9890 8.9926 9.7605 9.7645 10.5660 10.5777 10.8637 10.8837 k = 0.0000 0.4250 0.2265 ( 5434 PWs) bands (ev): -1.0661 -1.0651 -0.9437 -0.9420 -0.1979 -0.1942 2.8154 2.8168 4.2698 4.3102 4.7487 4.8225 5.1258 5.1361 5.1577 5.1593 5.7506 5.7691 5.9529 5.9663 6.0542 6.0741 6.2223 6.2263 6.9903 7.0169 7.0931 7.1009 7.3189 7.3269 8.1286 8.1314 8.6979 8.6987 9.0262 9.0300 9.7704 9.7742 10.6363 10.6471 10.8978 10.9150 k = 0.0000 0.4375 0.2265 ( 5434 PWs) bands (ev): -0.9965 -0.9942 -0.9106 -0.9072 -0.2601 -0.2564 2.7603 2.7613 4.2960 4.3385 4.7308 4.8120 5.0830 5.1080 5.1317 5.1357 5.7509 5.7661 5.9588 5.9707 6.0526 6.0680 6.2649 6.2710 6.9683 6.9978 7.0720 7.0883 7.2866 7.2923 8.1240 8.1261 8.6855 8.6866 9.0591 9.0628 9.7797 9.7832 10.7029 10.7128 10.9276 10.9408 k = 0.0000 0.4500 0.2265 ( 5436 PWs) bands (ev): -0.9355 -0.9309 -0.8742 -0.8681 -0.3250 -0.3212 2.7142 2.7150 4.3277 4.3724 4.7045 4.7887 5.0416 5.0695 5.1252 5.1275 5.7514 5.7634 5.9637 5.9735 6.0510 6.0624 6.3101 6.3169 6.9343 6.9566 7.0755 7.0893 7.2562 7.2598 8.1205 8.1220 8.6752 8.6764 9.0870 9.0902 9.7881 9.7911 10.7642 10.7734 10.9518 10.9599 k = 0.0000 0.4625 0.2265 ( 5432 PWs) bands (ev): -0.8948 -0.8904 -0.8203 -0.8138 -0.3921 -0.3884 2.6778 2.6783 4.3641 4.4104 4.6713 4.7519 5.0147 5.0402 5.1206 5.1221 5.7521 5.7611 5.9678 5.9753 6.0497 6.0578 6.3545 6.3607 6.8963 6.9111 7.0879 7.0983 7.2278 7.2294 8.1180 8.1190 8.6671 8.6682 9.1094 9.1119 9.7952 9.7976 10.8182 10.8269 10.9690 10.9718 k = 0.0000 0.4750 0.2265 ( 5440 PWs) bands (ev): -0.8724 -0.8698 -0.7524 -0.7473 -0.4608 -0.4571 2.6515 2.6518 4.4035 4.4489 4.6359 4.7058 5.0010 5.0196 5.1175 5.1183 5.7531 5.7590 5.9710 5.9760 6.0490 6.0542 6.3938 6.3987 6.8613 6.8702 7.1039 7.1115 7.2018 7.2019 8.1163 8.1170 8.6614 8.6622 9.1258 9.1275 9.8007 9.8024 10.8627 10.8707 10.9767 10.9784 k = 0.0000 0.4875 0.2265 ( 5436 PWs) bands (ev): -0.8604 -0.8593 -0.6821 -0.6778 -0.5299 -0.5262 2.6355 2.6357 4.4430 4.4775 4.6107 4.6578 4.9965 5.0062 5.1157 5.1161 5.7542 5.7572 5.9734 5.9759 6.0491 6.0516 6.4225 6.4251 6.8363 6.8404 7.1212 7.1262 7.1781 7.1795 8.1154 8.1158 8.6580 8.6584 9.1359 9.1368 9.8043 9.8052 10.8948 10.9005 10.9770 10.9801 k = 0.0000 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.8562 -0.8562 -0.6273 -0.6273 -0.5802 -0.5802 2.6303 2.6303 4.4743 4.4743 4.6191 4.6191 4.9986 4.9986 5.1152 5.1152 5.7556 5.7556 5.9751 5.9751 6.0499 6.0499 6.4340 6.4340 6.8282 6.8282 7.1336 7.1336 7.1665 7.1665 8.1152 8.1152 8.6570 8.6570 9.1396 9.1396 9.8059 9.8059 10.9094 10.9094 10.9776 10.9776 k = 0.0000 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.8562 -0.8562 -0.6273 -0.6273 -0.5802 -0.5802 2.6303 2.6303 4.4743 4.4743 4.6191 4.6191 4.9986 4.9986 5.1152 5.1152 5.7556 5.7556 5.9751 5.9751 6.0499 6.0499 6.4340 6.4340 6.8282 6.8282 7.1336 7.1336 7.1665 7.1665 8.1152 8.1152 8.6570 8.6570 9.1396 9.1396 9.8059 9.8059 10.9094 10.9094 10.9776 10.9776 k = 0.0125 0.5000 0.2265 ( 5444 PWs) bands (ev): -0.8557 -0.8553 -0.6266 -0.6266 -0.5794 -0.5794 2.6313 2.6322 4.4740 4.4758 4.6185 4.6210 4.9873 5.0044 5.1138 5.1219 5.7527 5.7576 5.9743 5.9756 6.0473 6.0517 6.4328 6.4347 6.8057 6.8480 7.1237 7.1391 7.1411 7.1948 8.1091 8.1160 8.6549 8.6574 9.1299 9.1396 9.8011 9.8014 10.9101 10.9108 10.9730 10.9830 k = 0.0250 0.5000 0.2265 ( 5452 PWs) bands (ev): -0.8535 -0.8528 -0.6245 -0.6244 -0.5770 -0.5770 2.6353 2.6371 4.4748 4.4783 4.6191 4.6241 4.9727 5.0038 5.1188 5.1320 5.7491 5.7587 5.9734 5.9760 6.0440 6.0525 6.4313 6.4351 6.7819 6.8636 7.1115 7.1142 7.1462 7.2229 8.0974 8.1113 8.6510 8.6560 9.1106 9.1299 9.7871 9.7879 10.9124 10.9142 10.9686 10.9894 k = 0.0375 0.5000 0.2265 ( 5448 PWs) bands (ev): -0.8498 -0.8487 -0.6209 -0.6208 -0.5730 -0.5730 2.6422 2.6449 4.4766 4.4816 4.6208 4.6286 4.9565 4.9979 5.1290 5.1440 5.7449 5.7589 5.9724 5.9760 6.0400 6.0522 6.4295 6.4351 6.7577 6.8730 7.0937 7.0969 7.1489 7.2499 8.0804 8.1012 8.6453 8.6527 9.0821 9.1108 9.7644 9.7657 10.9143 10.9189 10.9635 10.9961 k = 0.0500 0.5000 0.2265 ( 5444 PWs) bands (ev): -0.8445 -0.8431 -0.6159 -0.6158 -0.5674 -0.5674 2.6521 2.6557 4.4790 4.4855 4.6234 4.6344 4.9402 4.9890 5.1425 5.1569 5.7402 5.7580 5.9712 5.9754 6.0355 6.0507 6.4273 6.4347 6.7341 6.8741 7.0799 7.0802 7.1491 7.2753 8.0578 8.0854 8.6378 8.6476 9.0450 9.0830 9.7335 9.7356 10.9100 10.9229 10.9593 11.0011 k = 0.0625 0.5000 0.2265 ( 5444 PWs) bands (ev): -0.8378 -0.8359 -0.6095 -0.6094 -0.5603 -0.5602 2.6649 2.6694 4.4817 4.4893 4.6269 4.6413 4.9247 4.9789 5.1576 5.1699 5.7352 5.7560 5.9697 5.9739 6.0304 6.0479 6.4249 6.4339 6.7119 6.8663 7.0614 7.0736 7.1470 7.2984 8.0298 8.0639 8.6285 8.6404 8.9998 9.0470 9.6951 9.6981 10.8897 10.9195 10.9609 10.9945 k = 0.0750 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.8295 -0.8273 -0.6017 -0.6016 -0.5516 -0.5515 2.6807 2.6861 4.4843 4.4924 4.6311 4.6494 4.9112 4.9691 5.1733 5.1828 5.7298 5.7529 5.9676 5.9711 6.0248 6.0439 6.4222 6.4327 6.6919 6.8511 7.0406 7.0737 7.1425 7.3188 7.9962 8.0367 8.6173 8.6313 8.9476 9.0037 9.6498 9.6542 10.8520 10.8916 10.9688 10.9822 k = 0.0875 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.8197 -0.8172 -0.5925 -0.5924 -0.5415 -0.5414 2.6993 2.7057 4.4861 4.4937 4.6359 4.6583 4.9007 4.9608 5.1888 5.1953 5.7243 5.7488 5.9647 5.9662 6.0190 6.0391 6.4194 6.4311 6.6748 6.8311 7.0179 7.0777 7.1358 7.3362 7.9571 8.0036 8.6042 8.6200 8.8892 8.9539 9.5984 9.6046 10.8034 10.8401 10.9799 10.9844 k = 0.1000 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.8085 -0.8056 -0.5821 -0.5819 -0.5299 -0.5297 2.7207 2.7281 4.4865 4.4923 4.6416 4.6681 4.8939 4.9547 5.2040 5.2072 5.7187 5.7435 5.9583 5.9604 6.0132 6.0344 6.4165 6.4293 6.6609 6.8089 6.9937 7.0834 7.1270 7.3503 7.9126 7.9646 8.5892 8.6065 8.8255 8.8986 9.5416 9.5499 10.7504 10.7819 10.9925 10.9931 k = 0.1125 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.7958 -0.7926 -0.5703 -0.5701 -0.5168 -0.5167 2.7450 2.7534 4.4848 4.4870 4.6481 4.6785 4.8917 4.9517 5.2182 5.2183 5.7131 5.7372 5.9469 5.9540 6.0080 6.0303 6.4135 6.4271 6.6507 6.7865 6.9680 7.0892 7.1161 7.3608 7.8629 7.9196 8.5724 8.5908 8.7574 8.8387 9.4798 9.4906 10.6971 10.7243 11.0038 11.0057 k = 0.1250 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.7818 -0.7783 -0.5574 -0.5571 -0.5025 -0.5024 2.7720 2.7816 4.4773 4.4803 4.6556 4.6892 4.8944 4.9526 5.2283 5.2316 5.7075 5.7298 5.9317 5.9452 6.0038 6.0273 6.4106 6.4248 6.6444 6.7653 6.9411 7.0940 7.1033 7.3674 7.8083 7.8689 8.5536 8.5726 8.6861 8.7750 9.4137 9.4274 10.6464 10.6705 11.0149 11.0190 k = 0.1375 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.7664 -0.7626 -0.5432 -0.5429 -0.4869 -0.4868 2.8018 2.8125 4.4629 4.4727 4.6637 4.7000 4.9022 4.9576 5.2372 5.2436 5.7021 5.7213 5.9130 5.9336 6.0008 6.0254 6.4079 6.4222 6.6418 6.7459 6.9133 7.0888 7.0972 7.3699 7.7491 7.8126 8.5326 8.5520 8.6128 8.7086 9.3435 9.3605 10.6001 10.6220 11.0252 11.0317 k = 0.1500 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.7497 -0.7457 -0.5280 -0.5276 -0.4701 -0.4700 2.8343 2.8461 4.4442 4.4618 4.6721 4.7105 4.9147 4.9671 5.2448 5.2541 5.6968 5.7117 5.8916 5.9198 5.9988 6.0245 6.4053 6.4195 6.6429 6.7289 6.8849 7.0726 7.0986 7.3682 7.6860 7.7510 8.5072 8.5284 8.5410 8.6406 9.2698 9.2904 10.5594 10.5798 11.0332 11.0424 k = 0.1625 0.5000 0.2265 ( 5444 PWs) bands (ev): -0.7318 -0.7275 -0.5117 -0.5112 -0.4522 -0.4521 2.8694 2.8825 4.4219 4.4474 4.6800 4.7203 4.9316 4.9808 5.2509 5.2628 5.6916 5.7012 5.8685 5.9041 5.9978 6.0242 6.4030 6.4167 6.6474 6.7141 6.8564 7.0551 7.0978 7.3620 7.6194 7.6848 8.4539 8.4948 8.5006 8.5731 9.1929 9.2176 10.5247 10.5444 11.0353 11.0478 k = 0.1750 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.7127 -0.7082 -0.4943 -0.4939 -0.4333 -0.4333 2.9071 2.9215 4.3966 4.4301 4.6868 4.7290 4.9525 4.9987 5.2552 5.2693 5.6865 5.6896 5.8448 5.8875 5.9973 6.0245 6.4011 6.4139 6.6548 6.7013 6.8285 7.0363 7.0949 7.3513 7.5502 7.6146 8.3800 8.4635 8.4679 8.5120 9.1133 9.1424 10.4965 10.5160 11.0244 11.0381 k = 0.1875 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.6924 -0.6877 -0.4761 -0.4756 -0.4135 -0.4135 2.9473 2.9631 4.3691 4.4100 4.6919 4.7360 4.9768 5.0201 5.2575 5.2735 5.6772 5.6812 5.8214 5.8705 5.9974 6.0249 6.3995 6.4112 6.6649 6.6898 6.8018 7.0164 7.0899 7.3359 7.4793 7.5414 8.3047 8.4079 8.4417 8.4669 9.0319 9.0656 10.4748 10.4944 10.9979 11.0091 k = 0.2000 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.6711 -0.6662 -0.4571 -0.4564 -0.3930 -0.3929 2.9899 3.0071 4.3400 4.3877 4.6947 4.7407 5.0040 5.0447 5.2575 5.2747 5.6642 5.6756 5.7996 5.8537 5.9977 6.0256 6.3983 6.4085 6.6773 6.6782 6.7778 6.9957 7.0827 7.3155 7.4075 7.4665 8.2301 8.3411 8.4144 8.4307 8.9494 8.9881 10.4594 10.4796 10.9654 10.9743 k = 0.2125 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.6488 -0.6438 -0.4373 -0.4366 -0.3718 -0.3717 3.0347 3.0536 4.3098 4.3638 4.6948 4.7426 5.0336 5.0720 5.2550 5.2728 5.6511 5.6694 5.7804 5.8378 5.9982 6.0263 6.3977 6.4061 6.6652 6.6914 6.7579 6.9742 7.0735 7.2896 7.3358 7.3918 8.1569 8.2719 8.3855 8.3950 8.8673 8.9112 10.4502 10.4713 10.9342 10.9417 k = 0.2250 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.6256 -0.6204 -0.4168 -0.4160 -0.3501 -0.3500 3.0818 3.1025 4.2792 4.3387 4.6918 4.7411 5.0650 5.1013 5.2497 5.2671 5.6382 5.6620 5.7646 5.8230 5.9989 6.0270 6.3974 6.4038 6.6494 6.7070 6.7432 6.9519 7.0624 7.2558 7.2653 7.3209 8.0853 8.2028 8.3537 8.3568 8.7875 8.8364 10.4469 10.4690 10.9073 10.9137 k = 0.2375 0.5000 0.2265 ( 5432 PWs) bands (ev): -0.6015 -0.5963 -0.3959 -0.3950 -0.3281 -0.3279 3.1310 3.1535 4.2485 4.3129 4.6856 4.7357 5.0977 5.1321 5.2413 5.2573 5.6264 5.6536 5.7530 5.8096 5.9996 6.0276 6.3976 6.4018 6.6309 6.7235 6.7333 6.9289 7.0493 7.1970 7.2082 7.2617 8.0157 8.1348 8.3147 8.3176 8.7125 8.7659 10.4491 10.4724 10.8854 10.8908 k = 0.2500 0.5000 0.2265 ( 5424 PWs) bands (ev): -0.5767 -0.5714 -0.3745 -0.3735 -0.3059 -0.3056 3.1820 3.2066 4.2182 4.2869 4.6761 4.7263 5.1305 5.1636 5.2302 5.2433 5.6161 5.6442 5.7455 5.7974 6.0004 6.0281 6.3982 6.4000 6.6112 6.7270 6.7404 6.9049 7.0338 7.1324 7.1473 7.2158 7.9482 8.0682 8.2674 8.2749 8.6456 8.7017 10.4565 10.4812 10.8685 10.8731 k = 0.2625 0.5000 0.2265 ( 5424 PWs) bands (ev): -0.5513 -0.5459 -0.3527 -0.3517 -0.2836 -0.2832 3.2349 3.2618 4.1887 4.2611 4.6634 4.7126 5.1604 5.1928 5.2187 5.2272 5.6078 5.6346 5.7415 5.7866 6.0011 6.0285 6.3985 6.3990 6.5917 6.7224 6.7566 6.8795 7.0144 7.0742 7.0850 7.1738 7.8829 8.0035 8.2138 8.2234 8.5899 8.6462 10.4687 10.4949 10.8565 10.8603 k = 0.2750 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.5253 -0.5199 -0.3308 -0.3297 -0.2615 -0.2610 3.2893 3.3187 4.1604 4.2360 4.6477 4.6947 5.1715 5.1913 5.2219 5.2366 5.6020 5.6254 5.7403 5.7770 6.0018 6.0286 6.3971 6.4000 6.5736 6.7180 6.7697 6.8534 6.9847 7.0285 7.0294 7.1314 7.8200 7.9409 8.1539 8.1624 8.5473 8.6005 10.4853 10.5131 10.8490 10.8520 k = 0.2875 0.5000 0.2265 ( 5424 PWs) bands (ev): -0.4989 -0.4935 -0.3089 -0.3077 -0.2398 -0.2392 3.3450 3.3772 4.1335 4.2119 4.6296 4.6729 5.1541 5.1627 5.2489 5.2675 5.5987 5.6172 5.7413 5.7685 6.0025 6.0286 6.3956 6.4009 6.5576 6.7128 6.7713 6.8331 6.9420 6.9815 7.0019 7.0884 7.7596 7.8806 8.0884 8.0931 8.5175 8.5652 10.5060 10.5354 10.8456 10.8478 k = 0.3000 0.5000 0.2265 ( 5424 PWs) bands (ev): -0.4722 -0.4667 -0.2870 -0.2857 -0.2186 -0.2178 3.4018 3.4371 4.1086 4.1893 4.6094 4.6478 5.1258 5.1266 5.2818 5.2997 5.5979 5.6103 5.7437 5.7611 6.0031 6.0285 6.3939 6.4016 6.5441 6.7055 6.7482 6.8305 6.8977 6.9448 6.9812 7.0459 7.7017 7.8227 8.0181 8.0191 8.4988 8.5397 10.5305 10.5615 10.8457 10.8472 k = 0.3125 0.5000 0.2265 ( 5416 PWs) bands (ev): -0.4453 -0.4399 -0.2653 -0.2640 -0.1981 -0.1972 3.4594 3.4981 4.0858 4.1684 4.5878 4.6198 5.0848 5.0915 5.3153 5.3316 5.5994 5.6050 5.7470 5.7546 6.0036 6.0282 6.3917 6.4019 6.5328 6.6953 6.7096 6.8350 6.8581 6.9176 6.9624 7.0067 7.6464 7.7673 7.9403 7.9480 8.4890 8.5230 10.5583 10.5910 10.8489 10.8497 k = 0.3250 0.5000 0.2265 ( 5412 PWs) bands (ev): -0.4184 -0.4130 -0.2440 -0.2427 -0.1786 -0.1775 3.5173 3.5598 4.0656 4.1497 4.5653 4.5897 5.0380 5.0523 5.3481 5.3625 5.6013 5.6027 5.7491 5.7508 6.0041 6.0278 6.3886 6.4014 6.5232 6.6669 6.6813 6.8254 6.8293 6.9026 6.9446 6.9750 7.5939 7.7146 7.8621 7.8770 8.4866 8.5140 10.5892 10.6235 10.8547 10.8548 k = 0.3375 0.5000 0.2265 ( 5408 PWs) bands (ev): -0.3916 -0.3862 -0.2232 -0.2219 -0.1602 -0.1590 3.5752 3.6220 4.0482 4.1335 4.5427 4.5583 4.9871 5.0088 5.3795 5.3919 5.5994 5.6076 5.7445 5.7547 6.0046 6.0273 6.3846 6.4001 6.5143 6.6246 6.6628 6.8007 6.8024 6.9030 6.9281 6.9544 7.5442 7.6646 7.7853 7.8079 8.4901 8.5118 10.6228 10.6585 10.8619 10.8626 k = 0.3500 0.5000 0.2265 ( 5408 PWs) bands (ev): -0.3650 -0.3597 -0.2031 -0.2018 -0.1431 -0.1417 3.6326 3.6841 4.0339 4.1200 4.5204 4.5262 4.9328 4.9618 5.4090 5.4196 5.5992 5.6135 5.7408 5.7581 6.0050 6.0266 6.3796 6.3977 6.5047 6.5845 6.6399 6.7603 6.7847 6.9116 6.9134 6.9444 7.4975 7.6174 7.7113 7.7420 8.4987 8.5153 10.6585 10.6954 10.8706 10.8720 k = 0.3625 0.5000 0.2265 ( 5412 PWs) bands (ev): -0.3388 -0.3336 -0.1839 -0.1826 -0.1275 -0.1259 3.6889 3.7456 4.0231 4.1096 4.4942 4.4992 4.8763 4.9120 5.4359 5.4452 5.6011 5.6202 5.7378 5.7608 6.0055 6.0259 6.3736 6.3942 6.4937 6.5477 6.6129 6.7112 6.7770 6.9009 6.9218 6.9425 7.4538 7.5728 7.6413 7.6803 8.5113 8.5238 10.6960 10.7336 10.8805 10.8826 k = 0.3750 0.5000 0.2265 ( 5420 PWs) bands (ev): -0.3133 -0.3082 -0.1656 -0.1643 -0.1136 -0.1118 3.7433 3.8056 4.0158 4.1025 4.4631 4.4796 4.8185 4.8603 5.4597 5.4682 5.6052 5.6275 5.7355 5.7624 6.0059 6.0251 6.3666 6.3892 6.4811 6.5145 6.5827 6.6594 6.7769 6.8911 6.9314 6.9466 7.4133 7.5310 7.5763 7.6235 8.5271 8.5363 10.7345 10.7722 10.8910 10.8940 k = 0.3875 0.5000 0.2265 ( 5420 PWs) bands (ev): -0.2885 -0.2835 -0.1485 -0.1473 -0.1014 -0.0995 3.7953 3.8633 4.0123 4.0988 4.4335 4.4620 4.7607 4.8076 5.4799 5.4883 5.6117 5.6352 5.7337 5.7627 6.0063 6.0241 6.3584 6.3826 6.4676 6.4856 6.5498 6.6074 6.7834 6.8841 6.9401 6.9538 7.3762 7.4918 7.5168 7.5718 8.5454 8.5519 10.7733 10.8100 10.9017 10.9056 k = 0.4000 0.5000 0.2265 ( 5432 PWs) bands (ev): -0.2647 -0.2599 -0.1327 -0.1315 -0.0912 -0.0891 3.8441 3.9174 4.0126 4.0985 4.4062 4.4465 4.7040 4.7552 5.4961 5.5051 5.6205 5.6432 5.7321 5.7614 6.0067 6.0231 6.3490 6.3740 6.4541 6.4613 6.5157 6.5571 6.7949 6.8801 6.9486 6.9616 7.3428 7.4551 7.4638 7.5255 8.5652 8.5696 10.8114 10.8457 10.9124 10.9174 k = 0.4125 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.2421 -0.2375 -0.1184 -0.1173 -0.0829 -0.0807 3.8890 3.9665 4.0167 4.1016 4.3818 4.4332 4.6500 4.7041 5.5085 5.5186 5.6313 5.6515 5.7307 5.7584 6.0071 6.0219 6.3385 6.3632 6.4416 6.4419 6.4817 6.5101 6.8101 6.8789 6.9566 6.9684 7.3133 7.4178 7.4209 7.4844 8.5857 8.5886 10.8474 10.8774 10.9226 10.9289 k = 0.4250 0.5000 0.2265 ( 5444 PWs) bands (ev): -0.2210 -0.2167 -0.1056 -0.1046 -0.0766 -0.0744 3.9297 4.0091 4.0243 4.1075 4.3610 4.4213 4.6005 4.6559 5.5177 5.5286 5.6431 5.6596 5.7292 5.7539 6.0075 6.0206 6.3272 6.3502 6.4271 6.4303 6.4497 6.4680 6.8277 6.8806 6.9631 6.9732 7.2883 7.3794 7.3891 7.4482 8.6060 8.6077 10.8798 10.9034 10.9321 10.9401 k = 0.4375 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.2016 -0.1976 -0.0945 -0.0937 -0.0722 -0.0700 3.9660 4.0350 4.0436 4.1153 4.3437 4.4095 4.5579 4.6125 5.5243 5.5354 5.6548 5.6674 5.7277 5.7483 6.0078 6.0192 6.3158 6.3363 6.4139 6.4156 6.4262 6.4340 6.8465 6.8850 6.9670 6.9756 7.2685 7.3493 7.3597 7.4166 8.6251 8.6260 10.9071 10.9228 10.9407 10.9507 k = 0.4500 0.5000 0.2265 ( 5440 PWs) bands (ev): -0.1844 -0.1808 -0.0853 -0.0847 -0.0697 -0.0674 3.9985 4.0478 4.0691 4.1232 4.3293 4.3959 4.5250 4.5758 5.5291 5.5395 5.6655 5.6740 5.7262 5.7420 6.0082 6.0176 6.3051 6.3226 6.3922 6.3936 6.4167 6.4173 6.8656 6.8921 6.9670 6.9752 7.2543 7.3278 7.3330 7.3892 8.6421 8.6426 10.9280 10.9362 10.9487 10.9600 k = 0.4625 0.5000 0.2265 ( 5452 PWs) bands (ev): -0.1697 -0.1667 -0.0780 -0.0775 -0.0685 -0.0665 4.0274 4.0622 4.0853 4.1294 4.3174 4.3787 4.5043 4.5473 5.5326 5.5414 5.6742 5.6792 5.7252 5.7360 6.0086 6.0159 6.2964 6.3103 6.3717 6.3719 6.4103 6.4119 6.8840 6.9020 6.9625 6.9718 7.2463 7.3091 7.3146 7.3657 8.6563 8.6565 10.9419 10.9450 10.9565 10.9670 k = 0.4750 0.5000 0.2265 ( 5464 PWs) bands (ev): -0.1581 -0.1559 -0.0727 -0.0724 -0.0684 -0.0667 4.0523 4.0780 4.0921 4.1317 4.3093 4.3581 4.4957 4.5269 5.5353 5.5416 5.6803 5.6826 5.7248 5.7311 6.0093 6.0142 6.2903 6.3001 6.3555 6.3567 6.4069 6.4082 6.9008 6.9145 6.9541 6.9652 7.2444 7.2883 7.3092 7.3458 8.6670 8.6670 10.9496 10.9505 10.9639 10.9713 k = 0.4875 0.5000 0.2265 ( 5460 PWs) bands (ev): -0.1504 -0.1492 -0.0695 -0.0694 -0.0685 -0.0675 4.0712 4.0909 4.0961 4.1271 4.3091 4.3367 4.4962 4.5127 5.5375 5.5408 5.6838 5.6845 5.7250 5.7278 6.0102 6.0127 6.2876 6.2926 6.3462 6.3471 6.4053 6.4060 6.9158 6.9287 6.9428 6.9554 7.2483 7.2709 7.3107 7.3298 8.6736 8.6736 10.9533 10.9536 10.9695 10.9732 k = 0.5000 0.5000 0.2265 ( 5464 PWs) bands (ev): -0.1473 -0.1473 -0.0687 -0.0687 -0.0680 -0.0680 4.0838 4.0838 4.1142 4.1142 4.3189 4.3189 4.5026 4.5026 5.5393 5.5393 5.6850 5.6850 5.7259 5.7259 6.0113 6.0113 6.2884 6.2884 6.3435 6.3435 6.4050 6.4050 6.9298 6.9298 6.9429 6.9429 7.2574 7.2574 7.3178 7.3178 8.6758 8.6758 10.9545 10.9545 10.9726 10.9726 k = 0.5000 0.5000 0.2265 ( 5464 PWs) bands (ev): -0.1473 -0.1473 -0.0687 -0.0687 -0.0680 -0.0680 4.0838 4.0838 4.1142 4.1142 4.3189 4.3189 4.5026 4.5026 5.5393 5.5393 5.6850 5.6850 5.7259 5.7259 6.0113 6.0113 6.2884 6.2884 6.3435 6.3435 6.4050 6.4050 6.9298 6.9298 6.9429 6.9429 7.2574 7.2574 7.3178 7.3178 8.6758 8.6758 10.9545 10.9545 10.9726 10.9726 k = 0.4912 0.4912 0.2265 ( 5464 PWs) bands (ev): -0.1503 -0.1491 -0.0710 -0.0710 -0.0668 -0.0660 4.0718 4.0870 4.1000 4.1271 4.3087 4.3363 4.4964 4.5127 5.5375 5.5408 5.6839 5.6844 5.7251 5.7277 6.0101 6.0127 6.2875 6.2926 6.3460 6.3471 6.4052 6.4060 6.9158 6.9285 6.9429 6.9555 7.2483 7.2707 7.3107 7.3297 8.6736 8.6736 10.9534 10.9536 10.9695 10.9732 k = 0.4825 0.4825 0.2265 ( 5460 PWs) bands (ev): -0.1577 -0.1555 -0.0790 -0.0789 -0.0620 -0.0607 4.0557 4.0648 4.1052 4.1343 4.3048 4.3532 4.4982 4.5281 5.5353 5.5416 5.6816 5.6820 5.7248 5.7304 6.0093 6.0144 6.2902 6.3000 6.3538 6.3565 6.4070 6.4092 6.9006 6.9122 6.9556 6.9668 7.2436 7.2854 7.3115 7.3464 8.6671 8.6671 10.9502 10.9504 10.9640 10.9715 k = 0.4737 0.4737 0.2265 ( 5448 PWs) bands (ev): -0.1685 -0.1656 -0.0922 -0.0921 -0.0547 -0.0531 4.0361 4.0375 4.1141 4.1393 4.3001 4.3576 4.5164 4.5521 5.5326 5.5415 5.6777 5.6782 5.7247 5.7338 6.0089 6.0166 6.2961 6.3104 6.3640 6.3694 6.4118 6.4165 6.8837 6.8938 6.9681 6.9774 7.2430 7.2930 7.3286 7.3682 8.6564 8.6565 10.9443 10.9448 10.9562 10.9674 k = 0.4649 0.4649 0.2265 ( 5444 PWs) bands (ev): -0.1821 -0.1787 -0.1106 -0.1105 -0.0457 -0.0440 4.0105 4.0150 4.1242 4.1451 4.2888 4.3450 4.5530 4.5866 5.5292 5.5399 5.6715 5.6739 5.7243 5.7374 6.0091 6.0194 6.3047 6.3235 6.3726 6.3809 6.4240 6.4310 6.8653 6.8738 6.9806 6.9877 7.2457 7.2966 7.3593 7.3960 8.6421 8.6424 10.9334 10.9372 10.9475 10.9609 k = 0.4561 0.4561 0.2265 ( 5440 PWs) bands (ev): -0.1981 -0.1943 -0.1340 -0.1338 -0.0355 -0.0338 3.9857 3.9946 4.1358 4.1530 4.2696 4.3210 4.6022 4.6305 5.5246 5.5365 5.6638 5.6691 5.7231 5.7406 6.0100 6.0232 6.3154 6.3391 6.3774 6.3868 6.4462 6.4528 6.8457 6.8533 6.9935 6.9982 7.2511 7.3014 7.3987 7.4305 8.6245 8.6251 10.9167 10.9271 10.9388 10.9520 k = 0.4474 0.4474 0.2265 ( 5434 PWs) bands (ev): -0.2164 -0.2122 -0.1622 -0.1620 -0.0243 -0.0227 3.9640 3.9765 4.1487 4.1633 4.2440 4.2911 4.6584 4.6815 5.5186 5.5310 5.6550 5.6637 5.7208 5.7428 6.0119 6.0280 6.3274 6.3566 6.3794 6.3888 6.4744 6.4782 6.8262 6.8341 7.0068 7.0092 7.2586 7.3082 7.4459 7.4725 8.6043 8.6054 10.8950 10.9140 10.9297 10.9411 k = 0.4386 0.4386 0.2265 ( 5422 PWs) bands (ev): -0.2369 -0.2324 -0.1951 -0.1949 -0.0122 -0.0108 3.9461 3.9618 4.1624 4.1761 4.2143 4.2593 4.7186 4.7373 5.5109 5.5234 5.6454 5.6580 5.7175 5.7437 6.0147 6.0343 6.3401 6.3749 6.3808 6.3892 6.5019 6.5032 6.8092 6.8193 7.0206 7.0212 7.2673 7.3170 7.5007 7.5225 8.5823 8.5841 10.8695 10.8973 10.9200 10.9291 k = 0.4298 0.4298 0.2265 ( 5422 PWs) bands (ev): -0.2597 -0.2550 -0.2324 -0.2322 0.0006 0.0019 3.9324 3.9512 4.1735 4.1826 4.1912 4.2312 4.7812 4.7958 5.5011 5.5136 5.6356 5.6517 5.7133 5.7428 6.0186 6.0421 6.3528 6.3783 6.3888 6.3975 6.5183 6.5267 6.7990 6.8133 7.0342 7.0351 7.2767 7.3276 7.5631 7.5806 8.5592 8.5618 10.8414 10.8770 10.9100 10.9171 k = 0.4211 0.4211 0.2265 ( 5414 PWs) bands (ev): -0.2849 -0.2804 -0.2735 -0.2733 0.0141 0.0154 3.9229 3.9450 4.1505 4.1682 4.2086 4.2222 4.8449 4.8555 5.4892 5.5021 5.6260 5.6447 5.7085 5.7401 6.0235 6.0518 6.3646 6.3772 6.3882 6.4192 6.5225 6.5387 6.8007 6.8202 7.0487 7.0504 7.2864 7.3396 7.6328 7.6467 8.5359 8.5394 10.8124 10.8541 10.9001 10.9056 k = 0.4123 0.4123 0.2265 ( 5420 PWs) bands (ev): -0.3199 -0.3197 -0.3114 -0.3063 0.0284 0.0295 3.9176 3.9433 4.1196 4.1445 4.2282 4.2359 4.9089 4.9151 5.4751 5.4891 5.6170 5.6364 5.7035 5.7353 6.0295 6.0633 6.3732 6.3755 6.3895 6.4417 6.5134 6.5359 6.8173 6.8408 7.0647 7.0670 7.2959 7.3524 7.7093 7.7202 8.5130 8.5178 10.7839 10.8299 10.8907 10.8953 k = 0.4035 0.4035 0.2265 ( 5424 PWs) bands (ev): -0.3686 -0.3683 -0.3414 -0.3361 0.0433 0.0442 3.9161 3.9460 4.0909 4.1184 4.2501 4.2574 4.9723 4.9733 5.4589 5.4753 5.6085 5.6264 5.6988 5.7285 6.0364 6.0770 6.3733 6.3749 6.3962 6.4636 6.4950 6.5204 6.8465 6.8721 7.0827 7.0850 7.3049 7.3657 7.7919 7.8004 8.4915 8.4975 10.7568 10.8060 10.8824 10.8865 k = 0.3947 0.3947 0.2265 ( 5432 PWs) bands (ev): -0.4209 -0.4206 -0.3735 -0.3680 0.0587 0.0596 3.9181 3.9527 4.0659 4.0953 4.2741 4.2825 5.0287 5.0347 5.4408 5.4615 5.6006 5.6142 5.6949 5.7196 6.0442 6.0927 6.3705 6.3715 6.4059 6.4631 6.4930 6.4973 6.8836 6.9101 7.1033 7.1050 7.3131 7.3791 7.8797 7.8862 8.4719 8.4793 10.7321 10.7837 10.8758 10.8796 k = 0.3860 0.3860 0.2265 ( 5436 PWs) bands (ev): -0.4761 -0.4759 -0.4079 -0.4022 0.0747 0.0754 3.9227 3.9623 4.0463 4.0774 4.3003 4.3102 5.0800 5.0954 5.4213 5.4488 5.5928 5.5996 5.6919 5.7090 6.0526 6.1104 6.3650 6.3670 6.4160 6.4357 6.4711 6.5157 6.9243 6.9514 7.1269 7.1277 7.3205 7.3920 7.9715 7.9763 8.4548 8.4637 10.7102 10.7637 10.8714 10.8751 k = 0.3772 0.3772 0.2265 ( 5444 PWs) bands (ev): -0.5341 -0.5338 -0.4445 -0.4388 0.0911 0.0917 3.9287 3.9718 4.0352 4.0663 4.3285 4.3402 5.1251 5.1540 5.4007 5.4389 5.5825 5.5847 5.6900 5.6969 6.0615 6.1296 6.3551 6.3616 6.4073 6.4262 6.4458 6.5402 6.9657 6.9933 7.1541 7.1546 7.3271 7.4043 8.0661 8.0695 8.4408 8.4510 10.6916 10.7466 10.8697 10.8735 k = 0.3684 0.3684 0.2265 ( 5448 PWs) bands (ev): -0.5943 -0.5941 -0.4833 -0.4775 0.1078 0.1082 3.9350 3.9760 4.0381 4.0636 4.3587 4.3723 5.1614 5.2099 5.3796 5.4342 5.5629 5.5754 5.6842 5.6892 6.0705 6.1498 6.3407 6.3514 6.3839 6.4236 6.4377 6.5655 7.0056 7.0336 7.1852 7.1871 7.3333 7.4158 8.1623 8.1645 8.4300 8.4414 10.6764 10.7328 10.8711 10.8753 k = 0.3596 0.3596 0.2265 ( 5434 PWs) bands (ev): -0.6567 -0.6565 -0.5242 -0.5184 0.1246 0.1249 3.9409 3.9748 4.0553 4.0697 4.3909 4.4066 5.1863 5.2619 5.3594 5.4374 5.5412 5.5641 5.6719 5.6893 6.0793 6.1697 6.3219 6.3323 6.3708 6.4070 6.4504 6.5916 7.0428 7.0708 7.2215 7.2252 7.3396 7.4264 8.2588 8.2598 8.4226 8.4349 10.6645 10.7222 10.8762 10.8809 k = 0.3509 0.3509 0.2265 ( 5444 PWs) bands (ev): -0.7207 -0.7206 -0.5671 -0.5613 0.1416 0.1418 3.9469 3.9733 4.0812 4.0841 4.4250 4.4429 5.1981 5.3023 5.3480 5.4502 5.5176 5.5497 5.6612 5.6904 6.0873 6.1877 6.3003 6.3090 6.3639 6.3945 6.4664 6.6186 7.0768 7.1042 7.2621 7.2688 7.3479 7.4364 8.3541 8.3543 8.4185 8.4313 10.6557 10.7145 10.8852 10.8906 k = 0.3421 0.3421 0.2265 ( 5442 PWs) bands (ev): -0.7861 -0.7860 -0.6119 -0.6061 0.1585 0.1585 3.9541 3.9748 4.1053 4.1125 4.4609 4.4810 5.1981 5.3015 5.3749 5.4711 5.4930 5.5319 5.6530 5.6924 6.0940 6.2015 6.2785 6.2865 6.3588 6.3850 6.4869 6.6469 7.1080 7.1344 7.3012 7.3165 7.3637 7.4466 8.4167 8.4302 8.4468 8.4478 10.6496 10.7093 10.8982 10.9046 k = 0.3333 0.3333 0.2265 ( 5434 PWs) bands (ev): -0.8527 -0.8527 -0.6584 -0.6525 0.1751 0.1751 3.9639 3.9805 4.1315 4.1476 4.4985 4.5210 5.1894 5.2828 5.4167 5.4657 5.4994 5.5117 5.6479 5.6954 6.0991 6.2089 6.2587 6.2660 6.3543 6.3774 6.5134 6.6765 7.1370 7.1622 7.3267 7.3657 7.3983 7.4590 8.4184 8.4317 8.5358 8.5375 10.6457 10.7060 10.9155 10.9230 k = 0.3246 0.3246 0.2265 ( 5430 PWs) bands (ev): -0.9202 -0.9201 -0.7063 -0.7006 0.1913 0.1915 3.9772 3.9909 4.1612 4.1853 4.5378 4.5627 5.1754 5.2624 5.4393 5.4526 5.4944 5.5290 5.6458 5.6998 6.1021 6.2074 6.2432 6.2481 6.3500 6.3716 6.5463 6.7077 7.1648 7.1886 7.3399 7.4087 7.4499 7.4806 8.4220 8.4348 8.6208 8.6231 10.6430 10.7036 10.9369 10.9458 k = 0.3158 0.3158 0.2265 ( 5434 PWs) bands (ev): -0.9882 -0.9882 -0.7557 -0.7500 0.2070 0.2074 3.9945 4.0063 4.1933 4.2250 4.5785 4.6060 5.1584 5.2426 5.4128 5.4511 5.5109 5.5594 5.6470 5.7060 6.1028 6.1974 6.2320 6.2327 6.3460 6.3671 6.5853 6.7405 7.1918 7.2139 7.3499 7.4342 7.5094 7.5223 8.4272 8.4393 8.7009 8.7038 10.6409 10.7013 10.9622 10.9727 k = 0.3070 0.3070 0.2265 ( 5426 PWs) bands (ev): -1.0566 -1.0565 -0.8062 -0.8006 0.2222 0.2226 4.0162 4.0266 4.2266 4.2657 4.6205 4.6506 5.1402 5.2240 5.3870 5.4279 5.5450 5.5887 5.6521 5.7151 6.1014 6.1834 6.2197 6.2217 6.3424 6.3639 6.6296 6.7747 7.2185 7.2385 7.3603 7.4464 7.5731 7.5793 8.4335 8.4447 8.7756 8.7790 10.6384 10.6981 10.9910 11.0033 k = 0.2982 0.2982 0.2265 ( 5418 PWs) bands (ev): -1.1251 -1.1250 -0.8576 -0.8521 0.2365 0.2371 4.0424 4.0518 4.2600 4.3065 4.6634 4.6964 5.1222 5.2074 5.3625 5.4029 5.5759 5.6150 5.6633 5.7284 6.0981 6.1686 6.2090 6.2104 6.3392 6.3615 6.6783 6.8101 7.2452 7.2623 7.3724 7.4539 7.6397 7.6431 8.4406 8.4506 8.8447 8.8484 10.6347 10.6934 11.0226 11.0369 k = 0.2895 0.2895 0.2265 ( 5426 PWs) bands (ev): -1.1934 -1.1933 -0.9098 -0.9045 0.2500 0.2507 4.0730 4.0819 4.2926 4.3463 4.7070 4.7431 5.1058 5.1934 5.3399 5.3785 5.5989 5.6366 5.6832 5.7476 6.0934 6.1538 6.1985 6.2004 6.3364 6.3599 6.7302 6.8460 7.2720 7.2854 7.3872 7.4597 7.7086 7.7106 8.4480 8.4566 8.9080 8.9120 10.6292 10.6866 11.0561 11.0723 k = 0.2807 0.2807 0.2265 ( 5422 PWs) bands (ev): -1.2615 -1.2613 -0.9626 -0.9574 0.2624 0.2633 4.1081 4.1168 4.3232 4.3839 4.7505 4.7903 5.0925 5.1827 5.3197 5.3560 5.6137 5.6528 5.7113 5.7736 6.0884 6.1390 6.1871 6.1939 6.3343 6.3588 6.7844 6.8821 7.2988 7.3075 7.4052 7.4650 7.7795 7.7805 8.4554 8.4625 8.9658 8.9699 10.6215 10.6772 11.0898 11.1075 k = 0.2719 0.2719 0.2265 ( 5422 PWs) bands (ev): -1.3290 -1.3288 -1.0157 -1.0106 0.2737 0.2747 4.1472 4.1563 4.3509 4.4178 4.7932 4.8378 5.0839 5.1761 5.3027 5.3361 5.6238 5.6644 5.7436 5.8053 6.0847 6.1242 6.1773 6.1894 6.3328 6.3581 6.8401 6.9175 7.3257 7.3291 7.4268 7.4706 7.8519 7.8524 8.4624 8.4680 9.0183 9.0224 10.6111 10.6651 11.1199 11.1336 k = 0.2632 0.2632 0.2265 ( 5422 PWs) bands (ev): -1.3958 -1.3956 -1.0690 -1.0641 0.2838 0.2849 4.1902 4.2002 4.3749 4.4464 4.8343 4.8851 5.0820 5.1743 5.2895 5.3195 5.6317 5.6729 5.7761 5.8410 6.0842 6.1102 6.1697 6.1868 6.3320 6.3578 6.8964 6.9515 7.3504 7.3523 7.4519 7.4772 7.9257 7.9258 8.4689 8.4729 9.0659 9.0700 10.5979 10.6501 11.1358 11.1374 k = 0.2544 0.2544 0.2265 ( 5424 PWs) bands (ev): -1.4617 -1.4614 -1.1222 -1.1175 0.2925 0.2937 4.2364 4.2485 4.3948 4.4683 4.8726 4.9317 5.0883 5.1778 5.2809 5.3067 5.6388 5.6795 5.8051 5.8784 6.0897 6.0984 6.1645 6.1863 6.3319 6.3580 6.9525 6.9833 7.3722 7.3781 7.4802 7.4859 8.0003 8.0007 8.4746 8.4772 9.1092 9.1131 10.5817 10.6322 11.1301 11.1379 k = 0.2456 0.2456 0.2265 ( 5418 PWs) bands (ev): -1.5265 -1.5263 -1.1752 -1.1707 0.2999 0.3012 4.2841 4.3009 4.4113 4.4822 4.9077 4.9771 5.1033 5.1869 5.2781 5.2985 5.6459 5.6849 5.8276 5.9141 6.0923 6.1037 6.1616 6.1887 6.3329 6.3588 7.0075 7.0121 7.3952 7.4025 7.4979 7.5114 8.0758 8.0766 8.4795 8.4806 9.1487 9.1523 10.5624 10.6113 11.1188 11.1280 k = 0.2368 0.2368 0.2265 ( 5418 PWs) bands (ev): -1.5902 -1.5899 -1.2279 -1.2235 0.3059 0.3073 4.3294 4.3570 4.4281 4.4876 4.9400 5.0205 5.1251 5.2010 5.2827 5.2963 5.6532 5.6894 5.8417 5.9423 6.0977 6.1260 6.1610 6.1956 6.3352 6.3602 7.0374 7.0603 7.4198 7.4249 7.5146 7.5452 8.1519 8.1530 8.4831 8.4834 9.1848 9.1881 10.5401 10.5874 11.1017 11.1110 k = 0.2281 0.2281 0.2265 ( 5428 PWs) bands (ev): -1.6525 -1.6522 -1.2799 -1.2757 0.3104 0.3119 4.3615 4.4165 4.4556 4.4852 4.9708 5.0613 5.1498 5.2182 5.2971 5.3020 5.6608 5.6934 5.8478 5.9570 6.1204 6.1506 6.1629 6.2126 6.3397 6.3624 7.0588 7.1095 7.4460 7.4464 7.5368 7.5812 8.2283 8.2296 8.4848 8.4862 9.2182 9.2212 10.5148 10.5604 11.0786 11.0876 k = 0.2193 0.2193 0.2265 ( 5432 PWs) bands (ev): -1.7134 -1.7131 -1.3312 -1.3271 0.3134 0.3150 4.3723 4.4680 4.4869 4.5023 5.0011 5.0992 5.1734 5.2354 5.3187 5.3232 5.6689 5.6969 5.8478 5.9589 6.1554 6.1682 6.1714 6.2448 6.3486 6.3656 7.0762 7.1534 7.4675 7.4747 7.5642 7.6195 8.3044 8.3059 8.4856 8.4879 9.2493 9.2519 10.4864 10.5303 11.0496 11.0580 k = 0.2105 0.2105 0.2265 ( 5436 PWs) bands (ev): -1.7726 -1.7724 -1.3816 -1.3777 0.3151 0.3167 4.3686 4.4566 4.5486 4.5616 5.0312 5.1340 5.1942 5.2505 5.3477 5.3605 5.6777 5.7001 5.8441 5.9539 6.1687 6.1796 6.2139 6.2826 6.3687 6.3705 7.0898 7.1902 7.4918 7.5046 7.5959 7.6599 8.3795 8.3809 8.4862 8.4888 9.2786 9.2808 10.4551 10.4971 11.0146 11.0220 k = 0.2018 0.2018 0.2265 ( 5432 PWs) bands (ev): -1.8302 -1.8300 -1.4309 -1.4272 0.3153 0.3170 4.3569 4.4360 4.6178 4.6274 5.0611 5.1661 5.2135 5.2642 5.3867 5.4067 5.6872 5.7030 5.8384 5.9465 6.1768 6.1894 6.2684 6.3092 6.3781 6.4103 7.1000 7.2186 7.5205 7.5354 7.6318 7.7023 8.4488 8.4501 8.4917 8.4920 9.3065 9.3083 10.4207 10.4607 10.9738 10.9797 k = 0.1930 0.1930 0.2265 ( 5432 PWs) bands (ev): -1.8860 -1.8858 -1.4790 -1.4755 0.3142 0.3160 4.3404 4.4116 4.6898 4.6971 5.0903 5.1959 5.2328 5.2784 5.4323 5.4587 5.6976 5.7057 5.8320 5.9386 6.1865 6.1996 6.3213 6.3241 6.3929 6.4707 7.1071 7.2386 7.5534 7.5666 7.6719 7.7464 8.4719 8.4781 8.5343 8.5401 9.3334 9.3350 10.3835 10.4213 10.9273 10.9311 k = 0.1842 0.1842 0.2265 ( 5440 PWs) bands (ev): -1.9399 -1.9396 -1.5259 -1.5225 0.3119 0.3137 4.3204 4.3847 4.7640 4.7696 5.1186 5.2239 5.2536 5.2939 5.4820 5.5144 5.7082 5.7092 5.8257 5.9316 6.1983 6.2112 6.3346 6.3581 6.4274 6.5403 7.1115 7.2513 7.5890 7.5978 7.7168 7.7921 8.4710 8.4765 8.6029 8.6091 9.3599 9.3613 10.3435 10.3789 10.8752 10.8763 k = 0.1754 0.1754 0.2265 ( 5442 PWs) bands (ev): -1.9919 -1.9916 -1.5712 -1.5681 0.3085 0.3102 4.2981 4.3562 4.8400 4.8438 5.1455 5.2505 5.2763 5.3110 5.5336 5.5720 5.7109 5.7225 5.8204 5.9263 6.2124 6.2248 6.3445 6.3768 6.4827 6.6144 7.1138 7.2581 7.6249 7.6284 7.7667 7.8390 8.4673 8.4718 8.6701 8.6772 9.3863 9.3877 10.3010 10.3337 10.8155 10.8178 k = 0.1667 0.1667 0.2265 ( 5454 PWs) bands (ev): -2.0417 -2.0414 -1.6151 -1.6121 0.3040 0.3058 4.2742 4.3266 4.9173 4.9190 5.1709 5.2761 5.3011 5.3296 5.5849 5.6294 5.7144 5.7382 5.8167 5.9233 6.2291 6.2408 6.3552 6.3904 6.5447 6.6902 7.1143 7.2607 7.6579 7.6594 7.8214 7.8866 8.4631 8.4658 8.7334 8.7418 9.4133 9.4149 10.2562 10.2860 10.7493 10.7554 k = 0.1579 0.1579 0.2265 ( 5438 PWs) bands (ev): -2.0894 -2.0891 -1.6572 -1.6544 0.2986 0.3004 4.2492 4.2965 4.9944 4.9953 5.1949 5.3009 5.3278 5.3494 5.6328 5.6813 5.7222 5.7572 5.8163 5.9241 6.2485 6.2597 6.3674 6.4042 6.6075 6.7661 7.1134 7.2605 7.6859 7.6915 7.8800 7.9339 8.4595 8.4596 8.7913 8.8012 9.4414 9.4435 10.2094 10.2364 10.6786 10.6885 k = 0.1491 0.1491 0.2265 ( 5426 PWs) bands (ev): -2.1349 -2.1346 -1.6976 -1.6950 0.2924 0.2942 4.2238 4.2664 5.0686 5.0732 5.2175 5.3253 5.3560 5.3702 5.6735 5.7068 5.7523 5.7777 5.8245 5.9312 6.2710 6.2821 6.3817 6.4195 6.6690 6.8407 7.1113 7.2584 7.7120 7.7207 7.9406 7.9795 8.4539 8.4585 8.8424 8.8539 9.4716 9.4743 10.1612 10.1851 10.6046 10.6182 k = 0.1404 0.1404 0.2265 ( 5438 PWs) bands (ev): -2.1781 -2.1779 -1.7361 -1.7337 0.2856 0.2874 4.1982 4.2366 5.1401 5.1500 5.2390 5.3500 5.3852 5.3916 5.7044 5.7132 5.7904 5.7927 5.8524 5.9492 6.2966 6.3083 6.3986 6.4372 6.7278 6.9126 7.1083 7.2552 7.7356 7.7467 8.0003 8.0212 8.4512 8.4622 8.8852 8.8981 9.5043 9.5080 10.1120 10.1330 10.5289 10.5454 k = 0.1316 0.1316 0.2265 ( 5438 PWs) bands (ev): -2.2190 -2.2188 -1.7727 -1.7704 0.2783 0.2800 4.1729 4.2075 5.2063 5.2237 5.2607 5.3766 5.4133 5.4149 5.7169 5.7270 5.7957 5.8215 5.8978 5.9830 6.3257 6.3388 6.4187 6.4580 6.7829 6.9808 7.1049 7.2518 7.7563 7.7691 8.0551 8.0557 8.4548 8.4739 8.9185 8.9323 9.5405 9.5450 10.0625 10.0808 10.4533 10.4718 k = 0.1228 0.1228 0.2265 ( 5448 PWs) bands (ev): -2.2575 -2.2573 -1.8073 -1.8051 0.2707 0.2724 4.1481 4.1792 5.2636 5.2726 5.3028 5.4070 5.4353 5.4451 5.7204 5.7443 5.7997 5.8375 5.9514 6.0314 6.3585 6.3741 6.4426 6.4822 6.8335 7.0436 7.1017 7.2486 7.7734 7.7874 8.0796 8.0993 8.4694 8.4968 8.9413 8.9553 9.5802 9.5855 10.0136 10.0292 10.3798 10.3990 k = 0.1140 0.1140 0.2265 ( 5446 PWs) bands (ev): -2.2936 -2.2933 -1.8397 -1.8378 0.2629 0.2645 4.1242 4.1521 5.2927 5.3084 5.3673 5.4404 5.4607 5.4761 5.7244 5.7583 5.8044 5.8457 6.0087 6.0886 6.3951 6.4141 6.4708 6.5103 6.8789 7.0876 7.1118 7.2463 7.7865 7.8011 8.0907 8.1273 8.4994 8.5325 8.9539 8.9667 9.6235 9.6292 9.9660 9.9792 10.3102 10.3289 k = 0.1053 0.1053 0.2265 ( 5450 PWs) bands (ev): -2.3271 -2.3269 -1.8700 -1.8682 0.2550 0.2565 4.1014 4.1263 5.3098 5.3407 5.4254 5.4660 5.4991 5.5094 5.7290 5.7699 5.8103 5.8501 6.0678 6.1503 6.4358 6.4586 6.5043 6.5424 6.9187 7.0881 7.1595 7.2455 7.7949 7.8096 8.0894 8.1373 8.5443 8.5792 8.9576 8.9676 9.6695 9.6751 9.9207 9.9316 10.2465 10.2635 k = 0.0965 0.0965 0.2265 ( 5446 PWs) bands (ev): -2.3581 -2.3579 -1.8981 -1.8965 0.2473 0.2487 4.0798 4.1020 5.3256 5.3637 5.4712 5.4847 5.5448 5.5480 5.7345 5.7798 5.8174 5.8526 6.1279 6.2139 6.4806 6.5063 6.5442 6.5784 6.9526 7.0839 7.2058 7.2468 7.7980 7.8124 8.0779 8.1323 8.5973 8.6309 8.9565 8.9620 9.7170 9.7218 9.8787 9.8875 10.1901 10.2046 k = 0.0877 0.0877 0.2265 ( 5444 PWs) bands (ev): -2.3866 -2.3864 -1.9240 -1.9225 0.2397 0.2410 4.0596 4.0793 5.3403 5.3808 5.5006 5.5036 5.5896 5.5912 5.7409 5.7884 5.8254 5.8542 6.1885 6.2782 6.5293 6.5552 6.5924 6.6182 6.9807 7.0793 7.2466 7.2505 7.7952 7.8088 8.0589 8.1165 8.6458 8.6765 8.9592 8.9593 9.7632 9.7657 9.8418 9.8496 10.1422 10.1538 k = 0.0789 0.0789 0.2265 ( 5460 PWs) bands (ev): -2.4124 -2.4122 -1.9474 -1.9461 0.2325 0.2337 4.0410 4.0583 5.3539 5.3941 5.5146 5.5265 5.6300 5.6342 5.7483 5.7960 5.8339 5.8555 6.2491 6.3422 6.5810 6.6037 6.6492 6.6616 7.0039 7.0749 7.2568 7.2815 7.7860 7.7983 8.0351 8.0939 8.6731 8.6985 8.9758 8.9797 9.7875 9.7904 9.8264 9.8361 10.1038 10.1125 k = 0.0702 0.0702 0.2265 ( 5454 PWs) bands (ev): -2.4356 -2.4354 -1.9686 -1.9674 0.2257 0.2268 4.0242 4.0392 5.3666 5.4047 5.5268 5.5435 5.6647 5.6730 5.7568 5.8029 5.8427 5.8569 6.3092 6.4050 6.6331 6.6519 6.7090 6.7130 7.0235 7.0711 7.2656 7.3105 7.7698 7.7806 8.0086 8.0670 8.6689 8.6861 9.0223 9.0270 9.7671 9.7698 9.8592 9.8652 10.0763 10.0822 k = 0.0614 0.0614 0.2265 ( 5454 PWs) bands (ev): -2.4561 -2.4560 -1.9873 -1.9863 0.2195 0.2205 4.0091 4.0220 5.3781 5.4132 5.5375 5.5562 5.6933 5.7056 5.7661 5.8088 5.8514 5.8587 6.3682 6.4660 6.6807 6.6991 6.7625 6.7818 7.0414 7.0685 7.2763 7.3339 7.7464 7.7555 7.9814 8.0377 8.6389 8.6478 9.0910 9.0950 9.7434 9.7468 9.8916 9.8952 10.0615 10.0654 k = 0.0526 0.0526 0.2265 ( 5454 PWs) bands (ev): -2.4740 -2.4738 -2.0036 -2.0027 0.2140 0.2148 3.9960 4.0069 5.3886 5.4198 5.5467 5.5656 5.7164 5.7312 5.7760 5.8136 5.8600 5.8612 6.4256 6.5246 6.7181 6.7436 6.8237 6.8535 7.0598 7.0681 7.2886 7.3516 7.7158 7.7233 7.9553 8.0076 8.5941 8.5963 9.1697 9.1728 9.7256 9.7291 9.9122 9.9139 10.0617 10.0641 k = 0.0439 0.0439 0.2265 ( 5460 PWs) bands (ev): -2.4891 -2.4890 -2.0174 -2.0167 0.2091 0.2098 3.9849 3.9938 5.3980 5.4248 5.5547 5.5723 5.7346 5.7502 5.7858 5.8171 5.8647 5.8679 6.4805 6.5802 6.7432 6.7822 6.8905 6.9257 7.0722 7.0804 7.3022 7.3638 7.6787 7.6845 7.9315 7.9780 8.5402 8.5429 9.2502 9.2520 9.7162 9.7186 9.9201 9.9204 10.0751 10.0765 k = 0.0351 0.0351 0.2265 ( 5460 PWs) bands (ev): -2.5015 -2.5014 -2.0287 -2.0281 0.2051 0.2057 3.9759 3.9830 5.4063 5.4282 5.5615 5.5767 5.7489 5.7635 5.7945 5.8191 5.8692 5.8747 6.5324 6.6319 6.7560 6.8113 6.9583 6.9933 7.0855 7.1040 7.3167 7.3702 7.6363 7.6401 7.9113 7.9503 8.4856 8.4914 9.3258 9.3258 9.7175 9.7177 9.9196 9.9201 10.0948 10.0954 k = 0.0263 0.0263 0.2265 ( 5464 PWs) bands (ev): -2.5111 -2.5111 -2.0375 -2.0371 0.2019 0.2023 3.9690 3.9743 5.4134 5.4301 5.5673 5.5792 5.7601 5.7724 5.8014 5.8197 5.8742 5.8801 6.5805 6.6784 6.7583 6.8274 7.0204 7.0439 7.1185 7.1317 7.3317 7.3706 7.5908 7.5920 7.8957 7.9257 8.4374 8.4443 9.3879 9.3899 9.7290 9.7315 9.9163 9.9172 10.1140 10.1143 k = 0.0175 0.0175 0.2265 ( 5464 PWs) bands (ev): -2.5180 -2.5180 -2.0438 -2.0435 0.1996 0.1999 3.9643 3.9678 5.4194 5.4307 5.5720 5.5802 5.7685 5.7776 5.8067 5.8191 5.8790 5.8837 6.6241 6.7139 6.7565 6.8297 7.0667 7.0719 7.1668 7.1709 7.3455 7.3647 7.5442 7.5463 7.8852 7.9055 8.4000 8.4060 9.4331 9.4361 9.7536 9.7579 9.9131 9.9139 10.1246 10.1259 k = 0.0088 0.0088 0.2265 ( 5456 PWs) bands (ev): -2.5222 -2.5222 -2.0475 -2.0474 0.1983 0.1984 3.9618 3.9635 5.4241 5.4298 5.5757 5.5799 5.7747 5.7795 5.8110 5.8173 5.8828 5.8853 6.6623 6.7163 6.7728 6.8194 7.0883 7.0902 7.2070 7.2183 7.3536 7.3551 7.5057 7.5097 7.8807 7.8909 8.3768 8.3803 9.4597 9.4618 9.7844 9.7880 9.9109 9.9113 10.0888 10.0890 k = 0.0000 0.0000 0.2265 ( 5460 PWs) bands (ev): -2.5236 -2.5236 -2.0487 -2.0487 0.1979 0.1979 3.9615 3.9615 5.4276 5.4276 5.5783 5.5783 5.7784 5.7784 5.8145 5.8145 5.8850 5.8850 6.6940 6.6940 6.7991 6.7991 7.0955 7.0955 7.2328 7.2328 7.3522 7.3522 7.4924 7.4924 7.8825 7.8825 8.3701 8.3701 9.4690 9.4690 9.8014 9.8014 9.9102 9.9102 10.0672 10.0672 k = 0.0000 0.5000-0.0000 ( 5428 PWs) bands (ev): -1.0266 -1.0266 -0.6476 -0.6476 -0.3317 -0.3317 2.9407 2.9407 3.7147 3.7147 4.1994 4.1994 5.1231 5.1231 5.4765 5.4765 5.6585 5.6585 5.8007 5.8007 5.9983 5.9983 7.0809 7.0809 7.1530 7.1530 7.3645 7.3645 7.5282 7.5282 7.5818 7.5818 8.9204 8.9204 9.0362 9.0362 9.5755 9.5755 10.7157 10.7157 10.8159 10.8159 k = 0.0000 0.5000 0.0119 ( 5428 PWs) bands (ev): -1.0258 -1.0258 -0.6475 -0.6475 -0.3331 -0.3331 2.9379 2.9379 3.7179 3.7179 4.2032 4.2032 5.1230 5.1230 5.4772 5.4772 5.6577 5.6577 5.8009 5.8009 5.9982 5.9982 7.0782 7.0782 7.1518 7.1518 7.3450 7.3450 7.5276 7.5276 7.6000 7.6000 8.9216 8.9216 9.0328 9.0328 9.5769 9.5769 10.7179 10.7179 10.8169 10.8169 k = 0.0000 0.5000 0.0238 ( 5442 PWs) bands (ev): -1.0235 -1.0235 -0.6471 -0.6471 -0.3370 -0.3370 2.9297 2.9297 3.7277 3.7277 4.2144 4.2144 5.1228 5.1228 5.4791 5.4791 5.6552 5.6552 5.8014 5.8014 5.9978 5.9978 7.0687 7.0687 7.1482 7.1482 7.3024 7.3024 7.5221 7.5221 7.6434 7.6434 8.9251 8.9251 9.0227 9.0227 9.5813 9.5813 10.7246 10.7246 10.8196 10.8196 k = 0.0000 0.5000 0.0358 ( 5446 PWs) bands (ev): -1.0197 -1.0197 -0.6464 -0.6464 -0.3436 -0.3436 2.9165 2.9165 3.7438 3.7438 4.2324 4.2324 5.1224 5.1224 5.4819 5.4819 5.6515 5.6515 5.8024 5.8024 5.9972 5.9972 7.0487 7.0487 7.1426 7.1426 7.2574 7.2574 7.5109 7.5109 7.6958 7.6958 8.9306 8.9306 9.0069 9.0069 9.5885 9.5885 10.7355 10.7355 10.8240 10.8240 k = 0.0000 0.5000 0.0477 ( 5446 PWs) bands (ev): -1.0143 -1.0143 -0.6455 -0.6455 -0.3526 -0.3526 2.8990 2.8990 3.7662 3.7662 4.2563 4.2563 5.1219 5.1219 5.4848 5.4848 5.6470 5.6470 5.8039 5.8039 5.9964 5.9964 7.0139 7.0139 7.1360 7.1360 7.2213 7.2213 7.4947 7.4947 7.7494 7.7494 8.9369 8.9369 8.9870 8.9870 9.5984 9.5984 10.7500 10.7500 10.8298 10.8298 k = 0.0000 0.5000 0.0596 ( 5438 PWs) bands (ev): -1.0076 -1.0076 -0.6444 -0.6444 -0.3639 -0.3639 2.8782 2.8782 3.7947 3.7947 4.2850 4.2850 5.1213 5.1213 5.4863 5.4863 5.6429 5.6429 5.8062 5.8062 5.9954 5.9954 6.9643 6.9643 7.1294 7.1294 7.1965 7.1965 7.4737 7.4737 7.8009 7.8009 8.9380 8.9380 8.9703 8.9703 9.6106 9.6106 10.7675 10.7675 10.8367 10.8367 k = 0.0000 0.5000 0.0715 ( 5446 PWs) bands (ev): -0.9994 -0.9994 -0.6431 -0.6431 -0.3773 -0.3773 2.8548 2.8548 3.8290 3.8290 4.3172 4.3172 5.1206 5.1206 5.4843 5.4843 5.6408 5.6408 5.8092 5.8092 5.9941 5.9941 6.9052 6.9052 7.1231 7.1231 7.1798 7.1798 7.4484 7.4484 7.8490 7.8490 8.9195 8.9195 8.9721 8.9721 9.6250 9.6250 10.7874 10.7874 10.8444 10.8444 k = 0.0000 0.5000 0.0835 ( 5442 PWs) bands (ev): -0.9899 -0.9899 -0.6416 -0.6416 -0.3926 -0.3926 2.8299 2.8299 3.8688 3.8688 4.3516 4.3516 5.1198 5.1198 5.4761 5.4761 5.6429 5.6429 5.8134 5.8134 5.9928 5.9928 6.8423 6.8423 7.1163 7.1163 7.1677 7.1677 7.4190 7.4190 7.8930 7.8930 8.8906 8.8906 8.9840 8.9840 9.6411 9.6411 10.8088 10.8088 10.8526 10.8526 k = 0.0000 0.5000 0.0954 ( 5458 PWs) bands (ev): -0.9792 -0.9792 -0.6401 -0.6401 -0.4095 -0.4095 2.8043 2.8043 3.9137 3.9137 4.3870 4.3870 5.1189 5.1189 5.4596 5.4596 5.6505 5.6505 5.8192 5.8192 5.9913 5.9913 6.7796 6.7796 7.1078 7.1078 7.1583 7.1583 7.3863 7.3863 7.9326 7.9326 8.8594 8.8594 8.9990 8.9990 9.6586 9.6586 10.8308 10.8308 10.8612 10.8612 k = 0.0000 0.5000 0.1073 ( 5454 PWs) bands (ev): -0.9674 -0.9674 -0.6384 -0.6384 -0.4278 -0.4278 2.7787 2.7787 3.9634 3.9634 4.4224 4.4224 5.1180 5.1180 5.4343 5.4343 5.6632 5.6632 5.8273 5.8273 5.9898 5.9898 6.7197 6.7197 7.0963 7.0963 7.1511 7.1511 7.3514 7.3514 7.9677 7.9677 8.8280 8.8280 9.0155 9.0155 9.6771 9.6771 10.8521 10.8521 10.8705 10.8705 k = 0.0000 0.5000 0.1192 ( 5444 PWs) bands (ev): -0.9546 -0.9546 -0.6367 -0.6367 -0.4470 -0.4470 2.7538 2.7538 4.0173 4.0173 4.4566 4.4566 5.1170 5.1170 5.4006 5.4006 5.6793 5.6793 5.8386 5.8386 5.9883 5.9883 6.6642 6.6642 7.0807 7.0807 7.1458 7.1458 7.3158 7.3158 7.9985 7.9985 8.7978 8.7978 9.0329 9.0329 9.6960 9.6960 10.8697 10.8697 10.8823 10.8823 k = 0.0000 0.5000 0.1312 ( 5436 PWs) bands (ev): -0.9410 -0.9410 -0.6351 -0.6351 -0.4669 -0.4669 2.7301 2.7301 4.0748 4.0748 4.4888 4.4888 5.1160 5.1160 5.3595 5.3595 5.6966 5.6966 5.8541 5.8541 5.9869 5.9869 6.6142 6.6142 7.0597 7.0597 7.1419 7.1419 7.2815 7.2815 8.0251 8.0251 8.7695 8.7695 9.0506 9.0506 9.7149 9.7149 10.8804 10.8804 10.8992 10.8992 k = 0.0000 0.5000 0.1431 ( 5432 PWs) bands (ev): -0.9269 -0.9269 -0.6335 -0.6335 -0.4869 -0.4869 2.7082 2.7082 4.1351 4.1351 4.5184 4.5184 5.1150 5.1150 5.3122 5.3122 5.7128 5.7128 5.8749 5.8749 5.9857 5.9857 6.5703 6.5703 7.0326 7.0326 7.1392 7.1392 7.2508 7.2508 8.0477 8.0477 8.7438 8.7438 9.0681 9.0681 9.7333 9.7333 10.8879 10.8879 10.9169 10.9169 k = 0.0000 0.5000 0.1550 ( 5442 PWs) bands (ev): -0.9127 -0.9127 -0.6320 -0.6320 -0.5067 -0.5067 2.6885 2.6885 4.1973 4.1973 4.5447 4.5447 5.1138 5.1138 5.2601 5.2601 5.7263 5.7263 5.9007 5.9007 5.9848 5.9848 6.5327 6.5327 6.9995 6.9995 7.1372 7.1372 7.2252 7.2252 8.0666 8.0666 8.7210 8.7210 9.0847 9.0847 9.7505 9.7505 10.8940 10.8940 10.9329 10.9329 k = 0.0000 0.5000 0.1669 ( 5444 PWs) bands (ev): -0.8987 -0.8987 -0.6307 -0.6307 -0.5257 -0.5257 2.6712 2.6712 4.2600 4.2600 4.5673 4.5673 5.1122 5.1122 5.2055 5.2055 5.7367 5.7367 5.9299 5.9299 5.9849 5.9849 6.5016 6.5016 6.9620 6.9620 7.1358 7.1358 7.2051 7.2051 8.0820 8.0820 8.7016 8.7016 9.1000 9.1000 9.7662 9.7662 10.8990 10.8990 10.9467 10.9467 k = 0.0000 0.5000 0.1788 ( 5456 PWs) bands (ev): -0.8855 -0.8855 -0.6295 -0.6295 -0.5431 -0.5431 2.6568 2.6568 4.3214 4.3214 4.5860 4.5860 5.1081 5.1081 5.1525 5.1525 5.7442 5.7442 5.9574 5.9574 5.9887 5.9887 6.4766 6.4766 6.9230 6.9230 7.1348 7.1348 7.1901 7.1901 8.0943 8.0943 8.6856 8.6856 9.1135 9.1135 9.7798 9.7798 10.9030 10.9030 10.9581 10.9581 k = 0.0000 0.5000 0.1908 ( 5446 PWs) bands (ev): -0.8738 -0.8738 -0.6286 -0.6286 -0.5582 -0.5582 2.6453 2.6453 4.3788 4.3788 4.6006 4.6006 5.0845 5.0845 5.1217 5.1217 5.7495 5.7495 5.9714 5.9714 6.0049 6.0049 6.4577 6.4577 6.8862 6.8862 7.1342 7.1342 7.1793 7.1793 8.1036 8.1036 8.6731 8.6731 9.1246 9.1246 9.7909 9.7909 10.9059 10.9059 10.9668 10.9668 k = 0.0000 0.5000 0.2027 ( 5438 PWs) bands (ev): -0.8644 -0.8644 -0.6279 -0.6279 -0.5700 -0.5700 2.6370 2.6370 4.4276 4.4276 4.6109 4.6109 5.0424 5.0424 5.1167 5.1167 5.7530 5.7530 5.9743 5.9743 6.0275 6.0275 6.4444 6.4444 6.8557 6.8557 7.1339 7.1339 7.1721 7.1721 8.1101 8.1101 8.6642 8.6642 9.1328 9.1328 9.7991 9.7991 10.9079 10.9079 10.9729 10.9729 k = 0.0000 0.5000 0.2146 ( 5436 PWs) bands (ev): -0.8584 -0.8584 -0.6275 -0.6275 -0.5776 -0.5776 2.6319 2.6319 4.4618 4.4618 4.6171 4.6171 5.0105 5.0105 5.1155 5.1155 5.7549 5.7549 5.9749 5.9749 6.0440 6.0440 6.4366 6.4366 6.8354 6.8354 7.1337 7.1337 7.1679 7.1679 8.1140 8.1140 8.6588 8.6588 9.1379 9.1379 9.8042 9.8042 10.9090 10.9090 10.9765 10.9765 k = 0.0000 0.5000 0.2265 ( 5436 PWs) bands (ev): -0.8562 -0.8562 -0.6273 -0.6273 -0.5802 -0.5802 2.6303 2.6303 4.4743 4.4743 4.6191 4.6191 4.9986 4.9986 5.1152 5.1152 5.7556 5.7556 5.9751 5.9751 6.0499 6.0499 6.4340 6.4340 6.8282 6.8282 7.1336 7.1336 7.1665 7.1665 8.1152 8.1152 8.6570 8.6570 9.1396 9.1396 9.8059 9.8059 10.9094 10.9094 10.9776 10.9776 k = 0.5000 0.5000-0.0000 ( 5408 PWs) bands (ev): -0.1466 -0.1466 -0.0840 -0.0840 -0.0822 -0.0822 4.0900 4.0900 4.1271 4.1271 4.6986 4.6986 4.9441 4.9441 5.3748 5.3748 5.4570 5.4570 5.6962 5.6962 5.9778 5.9778 6.2307 6.2307 6.3485 6.3485 6.4012 6.4012 6.6106 6.6106 6.6242 6.6242 7.0405 7.0405 7.0779 7.0779 8.6423 8.6423 11.2985 11.2985 11.3086 11.3086 k = 0.5000 0.5000 0.0119 ( 5408 PWs) bands (ev): -0.1466 -0.1466 -0.0839 -0.0839 -0.0821 -0.0821 4.0900 4.0900 4.1270 4.1270 4.6946 4.6946 4.9386 4.9386 5.3785 5.3785 5.4601 5.4601 5.6964 5.6964 5.9780 5.9780 6.2311 6.2311 6.3485 6.3485 6.4014 6.4014 6.6138 6.6138 6.6267 6.6267 7.0409 7.0409 7.0780 7.0780 8.6425 8.6425 11.2982 11.2982 11.3086 11.3086 k = 0.5000 0.5000 0.0238 ( 5404 PWs) bands (ev): -0.1466 -0.1466 -0.0836 -0.0836 -0.0818 -0.0818 4.0899 4.0899 4.1269 4.1269 4.6829 4.6829 4.9226 4.9226 5.3887 5.3887 5.4690 5.4690 5.6970 5.6970 5.9787 5.9787 6.2323 6.2323 6.3485 6.3485 6.4020 6.4020 6.6233 6.6233 6.6343 6.6343 7.0421 7.0421 7.0786 7.0786 8.6432 8.6432 11.2973 11.2973 11.3084 11.3085 k = 0.5000 0.5000 0.0358 ( 5408 PWs) bands (ev): -0.1466 -0.1466 -0.0831 -0.0831 -0.0814 -0.0814 4.0898 4.0898 4.1267 4.1267 4.6646 4.6646 4.8984 4.8984 5.4034 5.4034 5.4829 5.4829 5.6980 5.6980 5.9800 5.9800 6.2342 6.2342 6.3485 6.3485 6.4029 6.4029 6.6386 6.6386 6.6471 6.6471 7.0442 7.0442 7.0796 7.0796 8.6443 8.6443 11.2958 11.2958 11.3082 11.3082 k = 0.5000 0.5000 0.0477 ( 5424 PWs) bands (ev): -0.1467 -0.1467 -0.0824 -0.0824 -0.0807 -0.0807 4.0896 4.0896 4.1264 4.1264 4.6408 4.6408 4.8682 4.8682 5.4207 5.4207 5.5003 5.5003 5.6994 5.6994 5.9816 5.9816 6.2368 6.2368 6.3485 6.3485 6.4038 6.4038 6.6585 6.6585 6.6656 6.6656 7.0472 7.0472 7.0813 7.0813 8.6458 8.6458 11.2931 11.2932 11.3078 11.3078 k = 0.5000 0.5000 0.0596 ( 5440 PWs) bands (ev): -0.1467 -0.1467 -0.0816 -0.0816 -0.0800 -0.0800 4.0893 4.0893 4.1259 4.1259 4.6131 4.6131 4.8341 4.8341 5.4385 5.4385 5.5201 5.5201 5.7012 5.7012 5.9836 5.9836 6.2399 6.2399 6.3483 6.3483 6.4048 6.4048 6.6812 6.6812 6.6907 6.6907 7.0512 7.0512 7.0840 7.0840 8.6476 8.6476 11.2890 11.2890 11.3071 11.3071 k = 0.5000 0.5000 0.0715 ( 5424 PWs) bands (ev): -0.1467 -0.1467 -0.0806 -0.0806 -0.0790 -0.0790 4.0890 4.0890 4.1254 4.1254 4.5828 4.5828 4.7981 4.7981 5.4558 5.4558 5.5409 5.5409 5.7033 5.7033 5.9859 5.9859 6.2436 6.2436 6.3481 6.3481 6.4058 6.4058 6.7064 6.7064 6.7212 6.7212 7.0565 7.0565 7.0882 7.0882 8.6498 8.6498 11.2823 11.2823 11.3051 11.3052 k = 0.5000 0.5000 0.0835 ( 5416 PWs) bands (ev): -0.1468 -0.1468 -0.0794 -0.0794 -0.0780 -0.0780 4.0886 4.0886 4.1248 4.1248 4.5513 4.5513 4.7614 4.7614 5.4716 5.4716 5.5616 5.5616 5.7057 5.7057 5.9885 5.9885 6.2476 6.2476 6.3479 6.3479 6.4065 6.4065 6.7339 6.7339 6.7550 6.7550 7.0632 7.0632 7.0944 7.0944 8.6522 8.6522 11.2717 11.2717 11.2984 11.2985 k = 0.5000 0.5000 0.0954 ( 5416 PWs) bands (ev): -0.1468 -0.1468 -0.0782 -0.0782 -0.0769 -0.0769 4.0882 4.0882 4.1241 4.1241 4.5195 4.5195 4.7251 4.7251 5.4855 5.4855 5.5815 5.5815 5.7083 5.7083 5.9912 5.9912 6.2520 6.2520 6.3475 6.3475 6.4070 6.4070 6.7629 6.7629 6.7902 6.7902 7.0718 7.0718 7.1035 7.1035 8.6548 8.6548 11.2558 11.2558 11.2788 11.2788 k = 0.5000 0.5000 0.1073 ( 5428 PWs) bands (ev): -0.1469 -0.1469 -0.0770 -0.0770 -0.0758 -0.0758 4.0878 4.0878 4.1233 4.1233 4.4883 4.4883 4.6900 4.6900 5.4974 5.4974 5.6000 5.6000 5.7109 5.7109 5.9940 5.9940 6.2565 6.2565 6.3470 6.3470 6.4074 6.4074 6.7920 6.7920 6.8246 6.8246 7.0830 7.0830 7.1160 7.1160 8.6575 8.6575 11.2337 11.2337 11.2496 11.2496 k = 0.5000 0.5000 0.1192 ( 5428 PWs) bands (ev): -0.1470 -0.1470 -0.0757 -0.0757 -0.0746 -0.0746 4.0873 4.0873 4.1223 4.1223 4.4585 4.4585 4.6569 4.6569 5.5074 5.5074 5.6168 5.6168 5.7135 5.7135 5.9968 5.9968 6.2612 6.2612 6.3465 6.3465 6.4075 6.4075 6.8200 6.8200 6.8559 6.8559 7.0976 7.0976 7.1327 7.1327 8.6603 8.6603 11.2060 11.2060 11.2154 11.2154 k = 0.5000 0.5000 0.1312 ( 5420 PWs) bands (ev): -0.1470 -0.1470 -0.0744 -0.0744 -0.0734 -0.0734 4.0868 4.0868 4.1213 4.1213 4.4307 4.4307 4.6261 4.6261 5.5155 5.5155 5.6317 5.6317 5.7160 5.7160 5.9995 5.9995 6.2659 6.2659 6.3459 6.3459 6.4074 6.4074 6.8455 6.8455 6.8824 6.8824 7.1159 7.1159 7.1537 7.1537 8.6630 8.6630 11.1736 11.1736 11.1780 11.1780 k = 0.5000 0.5000 0.1431 ( 5420 PWs) bands (ev): -0.1471 -0.1471 -0.0732 -0.0732 -0.0723 -0.0723 4.0862 4.0862 4.1202 4.1202 4.4054 4.4054 4.5982 4.5982 5.5221 5.5221 5.6447 5.6447 5.7183 5.7183 6.0020 6.0020 6.2704 6.2704 6.3454 6.3454 6.4072 6.4072 6.8675 6.8675 6.9029 6.9029 7.1377 7.1377 7.1787 7.1787 8.6657 8.6657 11.1369 11.1369 11.1403 11.1403 k = 0.5000 0.5000 0.1550 ( 5412 PWs) bands (ev): -0.1471 -0.1471 -0.0721 -0.0721 -0.0713 -0.0713 4.0857 4.0857 4.1190 4.1190 4.3829 4.3829 4.5735 4.5735 5.5274 5.5274 5.6557 5.6557 5.7204 5.7204 6.0044 6.0044 6.2746 6.2746 6.3449 6.3449 6.4069 6.4069 6.8858 6.8858 6.9178 6.9178 7.1618 7.1618 7.2063 7.2063 8.6681 8.6681 11.0975 11.0975 11.1041 11.1041 k = 0.5000 0.5000 0.1669 ( 5412 PWs) bands (ev): -0.1472 -0.1472 -0.0711 -0.0711 -0.0703 -0.0703 4.0852 4.0852 4.1178 4.1178 4.3636 4.3636 4.5522 4.5522 5.5314 5.5314 5.6649 5.6649 5.7221 5.7221 6.0064 6.0064 6.2785 6.2785 6.3445 6.3445 6.4065 6.4065 6.9004 6.9004 6.9281 6.9281 7.1863 7.1863 7.2347 7.2347 8.6703 8.6703 11.0593 11.0593 11.0692 11.0692 k = 0.5000 0.5000 0.1788 ( 5436 PWs) bands (ev): -0.1472 -0.1472 -0.0703 -0.0703 -0.0695 -0.0695 4.0847 4.0847 4.1167 4.1167 4.3476 4.3476 4.5345 4.5345 5.5345 5.5345 5.6722 5.6722 5.7235 5.7235 6.0081 6.0081 6.2819 6.2819 6.3441 6.3441 6.4060 6.4060 6.9115 6.9115 6.9347 6.9347 7.2093 7.2093 7.2616 7.2616 8.6722 8.6722 11.0246 11.0246 11.0374 11.0374 k = 0.5000 0.5000 0.1908 ( 5444 PWs) bands (ev): -0.1472 -0.1472 -0.0696 -0.0696 -0.0689 -0.0689 4.0843 4.0843 4.1157 4.1157 4.3351 4.3351 4.5206 4.5206 5.5367 5.5367 5.6779 5.6779 5.7246 5.7246 6.0095 6.0095 6.2846 6.2846 6.3438 6.3438 6.4056 6.4056 6.9197 6.9197 6.9389 6.9389 7.2292 7.2292 7.2848 7.2848 8.6738 8.6738 10.9953 10.9953 11.0104 11.0104 k = 0.5000 0.5000 0.2027 ( 5472 PWs) bands (ev): -0.1473 -0.1473 -0.0691 -0.0691 -0.0684 -0.0684 4.0840 4.0840 4.1149 4.1149 4.3261 4.3261 4.5106 4.5106 5.5381 5.5381 5.6818 5.6818 5.7253 5.7253 6.0105 6.0105 6.2867 6.2867 6.3436 6.3436 6.4053 6.4053 6.9254 6.9254 6.9413 6.9413 7.2445 7.2445 7.3027 7.3027 8.6749 8.6749 10.9731 10.9731 10.9898 10.9898 k = 0.5000 0.5000 0.2146 ( 5472 PWs) bands (ev): -0.1473 -0.1473 -0.0688 -0.0688 -0.0681 -0.0681 4.0838 4.0838 4.1144 4.1144 4.3207 4.3207 4.5046 4.5046 5.5390 5.5390 5.6842 5.6842 5.7257 5.7257 6.0111 6.0111 6.2879 6.2879 6.3435 6.3435 6.4051 6.4051 6.9287 6.9287 6.9425 6.9425 7.2541 7.2541 7.3140 7.3140 8.6756 8.6756 10.9592 10.9592 10.9769 10.9769 k = 0.5000 0.5000 0.2265 ( 5464 PWs) bands (ev): -0.1473 -0.1473 -0.0687 -0.0687 -0.0680 -0.0680 4.0838 4.0838 4.1142 4.1142 4.3189 4.3189 4.5026 4.5026 5.5393 5.5393 5.6850 5.6850 5.7259 5.7259 6.0113 6.0113 6.2884 6.2884 6.3435 6.3435 6.4050 6.4050 6.9298 6.9298 6.9429 6.9429 7.2574 7.2574 7.3178 7.3178 8.6758 8.6758 10.9545 10.9545 10.9726 10.9726 Writing output data file Zr2CuSb3.save init_run : 0.84s CPU 0.51s WALL ( 1 calls) electrons : 381.05s CPU 279.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.09s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 381.04s CPU 279.22s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.24s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.37s CPU 0.57s WALL ( 340 calls) cegterg : 328.41s CPU 248.12s WALL ( 783 calls) Called by sum_band: Called by *egterg: h_psi : 232.36s CPU 155.53s WALL ( 13161 calls) s_psi : 13.70s CPU 9.65s WALL ( 13161 calls) g_psi : 0.50s CPU 0.39s WALL ( 12038 calls) cdiaghg : 90.77s CPU 78.59s WALL ( 12378 calls) cegterg:over : 12.33s CPU 9.64s WALL ( 12038 calls) cegterg:upda : 11.77s CPU 9.75s WALL ( 12038 calls) cegterg:last : 4.43s CPU 3.88s WALL ( 1829 calls) cdiaghg:chol : 4.65s CPU 4.50s WALL ( 12378 calls) cdiaghg:inve : 2.65s CPU 2.38s WALL ( 12378 calls) cdiaghg:para : 5.12s CPU 4.33s WALL ( 24756 calls) Called by h_psi: h_psi:vloc : 198.92s CPU 131.50s WALL ( 13161 calls) h_psi:vnl : 32.98s CPU 23.67s WALL ( 13161 calls) add_vuspsi : 19.20s CPU 13.14s WALL ( 13161 calls) General routines calbec : 13.72s CPU 10.48s WALL ( 13161 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 189.25s CPU 124.58s WALL ( 990244 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.37s CPU 1.03s WALL ( 680 calls) Parallel routines fft_scatter : 65.02s CPU 47.55s WALL ( 990267 calls) PWSCF : 6m38.39s CPU 5m 8.84s WALL This run was terminated on: 3: 5:51 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=