Program PWSCF v.5.4.0 starts on 11Feb2017 at 14:56:48 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: ./BaYFeCuO5.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 38 22 6 2102 922 148 Max 39 23 7 2112 947 159 Sum 1369 793 241 75867 33535 5523 bravais-lattice index = 14 lattice parameter (alat) = 7.3038 a.u. unit-cell volume = 770.4260 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 5 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.303791 celldm(2)= 1.000000 celldm(3)= 1.977361 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.977361 ) 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 0.505725 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 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 PseudoPot. # 5 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) Cu 11.00 63.54600 Cu( 1.00) Y 11.00 88.90590 Y( 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 90 deg rotation - cart. axis [0,0,-1] 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 90 deg rotation - cart. axis [0,0,1] 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. 180 deg rotation - cart. axis [1,1,0] 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. 180 deg rotation - cart. axis [1,-1,0] 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 C_4v (4mm) there are 7 classes and 2 irreducible representations the character table: E -E 2C4 -2C4 C2 2s_v 2s_d -C2 -2s_v -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 2C4 3 4 90 deg rotation - cart. axis [0,0,-1] -2C4 -3 -4 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 5 -5 6 -6 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 7 -7 -8 8 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0028409 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0028409 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0028409 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0028409 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0028409 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0028409 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0028409 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0028409 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0028409 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0028409 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0028409 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0028409 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0028409 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0028409 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0028409 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0028409 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0028409 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0028409 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0028409 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0028409 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0028409 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0028409 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0028409 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0028409 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0028409 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0028409 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0028409 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0028409 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0028409 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0028409 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0028409 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0028409 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0028409 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0028409 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0028409 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0028409 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0028409 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0028409 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0028409 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0028409 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0028409 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0028409 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0028409 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0028409 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0028409 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0028409 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0028409 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0028409 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0028409 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0028409 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0028409 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0028409 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0028409 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0028409 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0028409 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0028409 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0028409 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0028409 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0028409 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0028409 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0028409 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0028409 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0028409 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0028409 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0028409 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0028409 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0028409 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0028409 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0028409 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0028409 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0028409 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0028409 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0028409 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0028409 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0028409 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0028409 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028409 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0028409 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0028409 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0028409 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0028409 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0028409 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0028409 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0028409 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0028409 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0028409 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0028409 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0028409 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0028409 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0028409 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0028409 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0028409 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0028409 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028409 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0028409 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0028409 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0028409 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0028409 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0028409 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0028409 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0028409 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0028409 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0028409 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0028409 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0028409 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0028409 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0028409 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0028409 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0028409 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0028409 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0028409 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0028409 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0028409 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0028409 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0028409 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0028409 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0028409 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0028409 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0028409 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0028409 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0028409 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.0120411), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.0240821), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.0361232), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.0481642), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.0602053), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.0722464), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.0842874), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.0963285), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.1083695), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.1204106), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.1324517), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.1444927), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.1565338), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.1685749), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.1806159), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.1926570), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.2046980), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.2167391), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.2287802), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.2408212), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.2528623), wk = 0.0028409 k( 166) = ( 0.0000000 0.0000000 0.2528623), wk = 0.0028409 k( 167) = ( 0.0000000 0.0121951 0.2528623), wk = 0.0028409 k( 168) = ( 0.0000000 0.0243902 0.2528623), wk = 0.0028409 k( 169) = ( 0.0000000 0.0365854 0.2528623), wk = 0.0028409 k( 170) = ( 0.0000000 0.0487805 0.2528623), wk = 0.0028409 k( 171) = ( 0.0000000 0.0609756 0.2528623), wk = 0.0028409 k( 172) = ( 0.0000000 0.0731707 0.2528623), wk = 0.0028409 k( 173) = ( 0.0000000 0.0853658 0.2528623), wk = 0.0028409 k( 174) = ( 0.0000000 0.0975610 0.2528623), wk = 0.0028409 k( 175) = ( 0.0000000 0.1097561 0.2528623), wk = 0.0028409 k( 176) = ( 0.0000000 0.1219512 0.2528623), wk = 0.0028409 k( 177) = ( 0.0000000 0.1341463 0.2528623), wk = 0.0028409 k( 178) = ( 0.0000000 0.1463415 0.2528623), wk = 0.0028409 k( 179) = ( 0.0000000 0.1585366 0.2528623), wk = 0.0028409 k( 180) = ( 0.0000000 0.1707317 0.2528623), wk = 0.0028409 k( 181) = ( 0.0000000 0.1829268 0.2528623), wk = 0.0028409 k( 182) = ( 0.0000000 0.1951219 0.2528623), wk = 0.0028409 k( 183) = ( 0.0000000 0.2073171 0.2528623), wk = 0.0028409 k( 184) = ( 0.0000000 0.2195122 0.2528623), wk = 0.0028409 k( 185) = ( 0.0000000 0.2317073 0.2528623), wk = 0.0028409 k( 186) = ( 0.0000000 0.2439024 0.2528623), wk = 0.0028409 k( 187) = ( 0.0000000 0.2560976 0.2528623), wk = 0.0028409 k( 188) = ( 0.0000000 0.2682927 0.2528623), wk = 0.0028409 k( 189) = ( 0.0000000 0.2804878 0.2528623), wk = 0.0028409 k( 190) = ( 0.0000000 0.2926829 0.2528623), wk = 0.0028409 k( 191) = ( 0.0000000 0.3048781 0.2528623), wk = 0.0028409 k( 192) = ( 0.0000000 0.3170732 0.2528623), wk = 0.0028409 k( 193) = ( 0.0000000 0.3292683 0.2528623), wk = 0.0028409 k( 194) = ( 0.0000000 0.3414634 0.2528623), wk = 0.0028409 k( 195) = ( 0.0000000 0.3536585 0.2528623), wk = 0.0028409 k( 196) = ( 0.0000000 0.3658537 0.2528623), wk = 0.0028409 k( 197) = ( 0.0000000 0.3780488 0.2528623), wk = 0.0028409 k( 198) = ( 0.0000000 0.3902439 0.2528623), wk = 0.0028409 k( 199) = ( 0.0000000 0.4024390 0.2528623), wk = 0.0028409 k( 200) = ( 0.0000000 0.4146341 0.2528623), wk = 0.0028409 k( 201) = ( 0.0000000 0.4268293 0.2528623), wk = 0.0028409 k( 202) = ( 0.0000000 0.4390244 0.2528623), wk = 0.0028409 k( 203) = ( 0.0000000 0.4512195 0.2528623), wk = 0.0028409 k( 204) = ( 0.0000000 0.4634146 0.2528623), wk = 0.0028409 k( 205) = ( 0.0000000 0.4756098 0.2528623), wk = 0.0028409 k( 206) = ( 0.0000000 0.4878049 0.2528623), wk = 0.0028409 k( 207) = ( 0.0000000 0.5000000 0.2528623), wk = 0.0028409 k( 208) = ( 0.0000000 0.5000000 0.2528623), wk = 0.0028409 k( 209) = ( 0.0121951 0.5000000 0.2528623), wk = 0.0028409 k( 210) = ( 0.0243902 0.5000000 0.2528623), wk = 0.0028409 k( 211) = ( 0.0365854 0.5000000 0.2528623), wk = 0.0028409 k( 212) = ( 0.0487805 0.5000000 0.2528623), wk = 0.0028409 k( 213) = ( 0.0609756 0.5000000 0.2528623), wk = 0.0028409 k( 214) = ( 0.0731707 0.5000000 0.2528623), wk = 0.0028409 k( 215) = ( 0.0853658 0.5000000 0.2528623), wk = 0.0028409 k( 216) = ( 0.0975610 0.5000000 0.2528623), wk = 0.0028409 k( 217) = ( 0.1097561 0.5000000 0.2528623), wk = 0.0028409 k( 218) = ( 0.1219512 0.5000000 0.2528623), wk = 0.0028409 k( 219) = ( 0.1341463 0.5000000 0.2528623), wk = 0.0028409 k( 220) = ( 0.1463415 0.5000000 0.2528623), wk = 0.0028409 k( 221) = ( 0.1585366 0.5000000 0.2528623), wk = 0.0028409 k( 222) = ( 0.1707317 0.5000000 0.2528623), wk = 0.0028409 k( 223) = ( 0.1829268 0.5000000 0.2528623), wk = 0.0028409 k( 224) = ( 0.1951219 0.5000000 0.2528623), wk = 0.0028409 k( 225) = ( 0.2073171 0.5000000 0.2528623), wk = 0.0028409 k( 226) = ( 0.2195122 0.5000000 0.2528623), wk = 0.0028409 k( 227) = ( 0.2317073 0.5000000 0.2528623), wk = 0.0028409 k( 228) = ( 0.2439024 0.5000000 0.2528623), wk = 0.0028409 k( 229) = ( 0.2560976 0.5000000 0.2528623), wk = 0.0028409 k( 230) = ( 0.2682927 0.5000000 0.2528623), wk = 0.0028409 k( 231) = ( 0.2804878 0.5000000 0.2528623), wk = 0.0028409 k( 232) = ( 0.2926829 0.5000000 0.2528623), wk = 0.0028409 k( 233) = ( 0.3048781 0.5000000 0.2528623), wk = 0.0028409 k( 234) = ( 0.3170732 0.5000000 0.2528623), wk = 0.0028409 k( 235) = ( 0.3292683 0.5000000 0.2528623), wk = 0.0028409 k( 236) = ( 0.3414634 0.5000000 0.2528623), wk = 0.0028409 k( 237) = ( 0.3536585 0.5000000 0.2528623), wk = 0.0028409 k( 238) = ( 0.3658537 0.5000000 0.2528623), wk = 0.0028409 k( 239) = ( 0.3780488 0.5000000 0.2528623), wk = 0.0028409 k( 240) = ( 0.3902439 0.5000000 0.2528623), wk = 0.0028409 k( 241) = ( 0.4024390 0.5000000 0.2528623), wk = 0.0028409 k( 242) = ( 0.4146341 0.5000000 0.2528623), wk = 0.0028409 k( 243) = ( 0.4268293 0.5000000 0.2528623), wk = 0.0028409 k( 244) = ( 0.4390244 0.5000000 0.2528623), wk = 0.0028409 k( 245) = ( 0.4512195 0.5000000 0.2528623), wk = 0.0028409 k( 246) = ( 0.4634146 0.5000000 0.2528623), wk = 0.0028409 k( 247) = ( 0.4756098 0.5000000 0.2528623), wk = 0.0028409 k( 248) = ( 0.4878049 0.5000000 0.2528623), wk = 0.0028409 k( 249) = ( 0.5000000 0.5000000 0.2528623), wk = 0.0028409 k( 250) = ( 0.5000000 0.5000000 0.2528623), wk = 0.0028409 k( 251) = ( 0.4913793 0.4913793 0.2528623), wk = 0.0028409 k( 252) = ( 0.4827586 0.4827586 0.2528623), wk = 0.0028409 k( 253) = ( 0.4741379 0.4741379 0.2528623), wk = 0.0028409 k( 254) = ( 0.4655172 0.4655172 0.2528623), wk = 0.0028409 k( 255) = ( 0.4568966 0.4568965 0.2528623), wk = 0.0028409 k( 256) = ( 0.4482759 0.4482759 0.2528623), wk = 0.0028409 k( 257) = ( 0.4396552 0.4396552 0.2528623), wk = 0.0028409 k( 258) = ( 0.4310345 0.4310345 0.2528623), wk = 0.0028409 k( 259) = ( 0.4224138 0.4224138 0.2528623), wk = 0.0028409 k( 260) = ( 0.4137931 0.4137931 0.2528623), wk = 0.0028409 k( 261) = ( 0.4051724 0.4051724 0.2528623), wk = 0.0028409 k( 262) = ( 0.3965517 0.3965517 0.2528623), wk = 0.0028409 k( 263) = ( 0.3879310 0.3879310 0.2528623), wk = 0.0028409 k( 264) = ( 0.3793103 0.3793103 0.2528623), wk = 0.0028409 k( 265) = ( 0.3706897 0.3706897 0.2528623), wk = 0.0028409 k( 266) = ( 0.3620690 0.3620690 0.2528623), wk = 0.0028409 k( 267) = ( 0.3534483 0.3534483 0.2528623), wk = 0.0028409 k( 268) = ( 0.3448276 0.3448276 0.2528623), wk = 0.0028409 k( 269) = ( 0.3362069 0.3362069 0.2528623), wk = 0.0028409 k( 270) = ( 0.3275862 0.3275862 0.2528623), wk = 0.0028409 k( 271) = ( 0.3189655 0.3189655 0.2528623), wk = 0.0028409 k( 272) = ( 0.3103448 0.3103448 0.2528623), wk = 0.0028409 k( 273) = ( 0.3017241 0.3017241 0.2528623), wk = 0.0028409 k( 274) = ( 0.2931034 0.2931034 0.2528623), wk = 0.0028409 k( 275) = ( 0.2844828 0.2844828 0.2528623), wk = 0.0028409 k( 276) = ( 0.2758621 0.2758621 0.2528623), wk = 0.0028409 k( 277) = ( 0.2672414 0.2672414 0.2528623), wk = 0.0028409 k( 278) = ( 0.2586207 0.2586207 0.2528623), wk = 0.0028409 k( 279) = ( 0.2500000 0.2500000 0.2528623), wk = 0.0028409 k( 280) = ( 0.2413793 0.2413793 0.2528623), wk = 0.0028409 k( 281) = ( 0.2327586 0.2327586 0.2528623), wk = 0.0028409 k( 282) = ( 0.2241379 0.2241379 0.2528623), wk = 0.0028409 k( 283) = ( 0.2155172 0.2155172 0.2528623), wk = 0.0028409 k( 284) = ( 0.2068966 0.2068965 0.2528623), wk = 0.0028409 k( 285) = ( 0.1982759 0.1982759 0.2528623), wk = 0.0028409 k( 286) = ( 0.1896552 0.1896552 0.2528623), wk = 0.0028409 k( 287) = ( 0.1810345 0.1810345 0.2528623), wk = 0.0028409 k( 288) = ( 0.1724138 0.1724138 0.2528623), wk = 0.0028409 k( 289) = ( 0.1637931 0.1637931 0.2528623), wk = 0.0028409 k( 290) = ( 0.1551724 0.1551724 0.2528623), wk = 0.0028409 k( 291) = ( 0.1465517 0.1465517 0.2528623), wk = 0.0028409 k( 292) = ( 0.1379310 0.1379310 0.2528623), wk = 0.0028409 k( 293) = ( 0.1293103 0.1293103 0.2528623), wk = 0.0028409 k( 294) = ( 0.1206897 0.1206897 0.2528623), wk = 0.0028409 k( 295) = ( 0.1120690 0.1120690 0.2528623), wk = 0.0028409 k( 296) = ( 0.1034483 0.1034483 0.2528623), wk = 0.0028409 k( 297) = ( 0.0948276 0.0948276 0.2528623), wk = 0.0028409 k( 298) = ( 0.0862069 0.0862069 0.2528623), wk = 0.0028409 k( 299) = ( 0.0775862 0.0775862 0.2528623), wk = 0.0028409 k( 300) = ( 0.0689655 0.0689655 0.2528623), wk = 0.0028409 k( 301) = ( 0.0603448 0.0603448 0.2528623), wk = 0.0028409 k( 302) = ( 0.0517241 0.0517241 0.2528623), wk = 0.0028409 k( 303) = ( 0.0431035 0.0431034 0.2528623), wk = 0.0028409 k( 304) = ( 0.0344828 0.0344828 0.2528623), wk = 0.0028409 k( 305) = ( 0.0258621 0.0258621 0.2528623), wk = 0.0028409 k( 306) = ( 0.0172414 0.0172414 0.2528623), wk = 0.0028409 k( 307) = ( 0.0086207 0.0086207 0.2528623), wk = 0.0028409 k( 308) = ( 0.0000000 0.0000000 0.2528623), wk = 0.0028409 k( 309) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 310) = ( 0.0000000 0.5000000 0.0120411), wk = 0.0028409 k( 311) = ( 0.0000000 0.5000000 0.0240821), wk = 0.0028409 k( 312) = ( 0.0000000 0.5000000 0.0361232), wk = 0.0028409 k( 313) = ( 0.0000000 0.5000000 0.0481642), wk = 0.0028409 k( 314) = ( 0.0000000 0.5000000 0.0602053), wk = 0.0028409 k( 315) = ( 0.0000000 0.5000000 0.0722464), wk = 0.0028409 k( 316) = ( 0.0000000 0.5000000 0.0842874), wk = 0.0028409 k( 317) = ( 0.0000000 0.5000000 0.0963285), wk = 0.0028409 k( 318) = ( 0.0000000 0.5000000 0.1083695), wk = 0.0028409 k( 319) = ( 0.0000000 0.5000000 0.1204106), wk = 0.0028409 k( 320) = ( 0.0000000 0.5000000 0.1324517), wk = 0.0028409 k( 321) = ( 0.0000000 0.5000000 0.1444927), wk = 0.0028409 k( 322) = ( 0.0000000 0.5000000 0.1565338), wk = 0.0028409 k( 323) = ( 0.0000000 0.5000000 0.1685749), wk = 0.0028409 k( 324) = ( 0.0000000 0.5000000 0.1806159), wk = 0.0028409 k( 325) = ( 0.0000000 0.5000000 0.1926570), wk = 0.0028409 k( 326) = ( 0.0000000 0.5000000 0.2046980), wk = 0.0028409 k( 327) = ( 0.0000000 0.5000000 0.2167391), wk = 0.0028409 k( 328) = ( 0.0000000 0.5000000 0.2287802), wk = 0.0028409 k( 329) = ( 0.0000000 0.5000000 0.2408212), wk = 0.0028409 k( 330) = ( 0.0000000 0.5000000 0.2528623), wk = 0.0028409 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 332) = ( 0.5000000 0.5000000 0.0120411), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 0.0240821), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.0361232), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.0481642), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.0602053), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.0722464), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.0842874), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.0963285), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.1083695), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.1204106), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.1324517), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.1444927), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.1565338), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.1685749), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.1806159), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.1926570), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.2046980), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.2167391), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.2287802), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.2408212), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.2528623), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0028409 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0028409 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0028409 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0028409 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0028409 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0028409 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0028409 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0028409 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0028409 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0028409 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0028409 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0028409 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0028409 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0028409 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0028409 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0028409 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0028409 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0028409 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0028409 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0028409 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0028409 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0028409 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0028409 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0028409 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0028409 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0028409 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0028409 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0028409 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0028409 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0028409 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0028409 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0028409 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0028409 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0028409 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0028409 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0028409 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0028409 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0028409 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0028409 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0028409 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0028409 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0028409 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0028409 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0028409 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0028409 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0028409 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0028409 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0028409 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0028409 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0028409 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0028409 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0028409 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0028409 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0028409 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0028409 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0028409 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0028409 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0028409 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0028409 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0028409 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0028409 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0028409 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0028409 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0028409 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0028409 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0028409 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0028409 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0028409 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0028409 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0028409 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0028409 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0028409 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0028409 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0028409 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0028409 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0028409 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0028409 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0028409 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0028409 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0028409 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028409 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0028409 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0028409 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0028409 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0028409 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0028409 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0028409 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0028409 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0028409 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0028409 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0028409 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0028409 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0028409 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0028409 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0028409 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0028409 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0028409 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028409 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0028409 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0028409 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0028409 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0028409 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0028409 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0028409 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0028409 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0028409 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0028409 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0028409 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0028409 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0028409 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0028409 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0028409 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0028409 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0028409 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0028409 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0028409 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0028409 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0028409 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0028409 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0028409 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0028409 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0028409 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0028409 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0028409 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0028409 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 167) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0028409 k( 168) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0028409 k( 169) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0028409 k( 170) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0028409 k( 171) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0028409 k( 172) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0028409 k( 173) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0028409 k( 174) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0028409 k( 175) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0028409 k( 176) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0028409 k( 177) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0028409 k( 178) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0028409 k( 179) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0028409 k( 180) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0028409 k( 181) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0028409 k( 182) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0028409 k( 183) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0028409 k( 184) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0028409 k( 185) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0028409 k( 186) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0028409 k( 187) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0028409 k( 188) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0028409 k( 189) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0028409 k( 190) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0028409 k( 191) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0028409 k( 192) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0028409 k( 193) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0028409 k( 194) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0028409 k( 195) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0028409 k( 196) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0028409 k( 197) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0028409 k( 198) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0028409 k( 199) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0028409 k( 200) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0028409 k( 201) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0028409 k( 202) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0028409 k( 203) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0028409 k( 204) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0028409 k( 205) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0028409 k( 206) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0028409 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 208) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 209) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0028409 k( 210) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0028409 k( 211) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0028409 k( 212) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0028409 k( 213) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0028409 k( 214) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0028409 k( 215) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0028409 k( 216) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0028409 k( 217) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0028409 k( 218) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0028409 k( 219) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0028409 k( 220) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0028409 k( 221) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0028409 k( 222) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0028409 k( 223) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0028409 k( 224) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0028409 k( 225) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0028409 k( 226) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0028409 k( 227) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0028409 k( 228) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0028409 k( 229) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0028409 k( 230) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0028409 k( 231) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0028409 k( 232) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0028409 k( 233) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0028409 k( 234) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0028409 k( 235) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0028409 k( 236) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0028409 k( 237) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0028409 k( 238) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0028409 k( 239) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0028409 k( 240) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0028409 k( 241) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0028409 k( 242) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0028409 k( 243) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0028409 k( 244) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0028409 k( 245) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0028409 k( 246) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0028409 k( 247) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0028409 k( 248) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0028409 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 251) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0028409 k( 252) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0028409 k( 253) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0028409 k( 254) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0028409 k( 255) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0028409 k( 256) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0028409 k( 257) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0028409 k( 258) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0028409 k( 259) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0028409 k( 260) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0028409 k( 261) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0028409 k( 262) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0028409 k( 263) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0028409 k( 264) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0028409 k( 265) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0028409 k( 266) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0028409 k( 267) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0028409 k( 268) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0028409 k( 269) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0028409 k( 270) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0028409 k( 271) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0028409 k( 272) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0028409 k( 273) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0028409 k( 274) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0028409 k( 275) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0028409 k( 276) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0028409 k( 277) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0028409 k( 278) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0028409 k( 279) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028409 k( 280) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0028409 k( 281) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0028409 k( 282) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0028409 k( 283) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0028409 k( 284) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0028409 k( 285) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0028409 k( 286) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0028409 k( 287) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0028409 k( 288) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0028409 k( 289) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0028409 k( 290) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0028409 k( 291) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0028409 k( 292) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0028409 k( 293) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0028409 k( 294) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0028409 k( 295) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0028409 k( 296) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0028409 k( 297) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0028409 k( 298) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0028409 k( 299) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0028409 k( 300) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0028409 k( 301) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0028409 k( 302) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0028409 k( 303) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0028409 k( 304) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0028409 k( 305) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0028409 k( 306) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0028409 k( 307) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0028409 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 309) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 310) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0028409 k( 311) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0028409 k( 312) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0028409 k( 313) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0028409 k( 314) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0028409 k( 315) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0028409 k( 316) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028409 k( 317) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0028409 k( 318) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0028409 k( 319) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0028409 k( 320) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0028409 k( 321) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0028409 k( 322) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0028409 k( 323) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028409 k( 324) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0028409 k( 325) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0028409 k( 326) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0028409 k( 327) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0028409 k( 328) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0028409 k( 329) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0028409 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 332) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 Dense grid: 75867 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 33535 G-vectors FFT dimensions: ( 32, 32, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 244, 84) NL pseudopotentials 0.39 Mb ( 122, 207) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2104) G-vector shells 0.01 Mb ( 1071) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 244, 336) Each subspace H/S matrix 0.11 Mb ( 84, 84) Each matrix 0.53 Mb ( 207, 2, 84) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaYFeCuO5.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.5 secs Computing kpt #: 8 total cpu time spent up to now is 11.4 secs Computing kpt #: 9 total cpu time spent up to now is 12.3 secs Computing kpt #: 10 total cpu time spent up to now is 13.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 16.9 secs Computing kpt #: 15 total cpu time spent up to now is 17.8 secs Computing kpt #: 16 total cpu time spent up to now is 18.7 secs Computing kpt #: 17 total cpu time spent up to now is 19.7 secs Computing kpt #: 18 total cpu time spent up to now is 20.6 secs Computing kpt #: 19 total cpu time spent up to now is 21.5 secs Computing kpt #: 20 total cpu time spent up to now is 22.4 secs Computing kpt #: 21 total cpu time spent up to now is 23.3 secs Computing kpt #: 22 total cpu time spent up to now is 24.3 secs Computing kpt #: 23 total cpu time spent up to now is 25.2 secs Computing kpt #: 24 total cpu time spent up to now is 26.2 secs Computing kpt #: 25 total cpu time spent up to now is 27.1 secs Computing kpt #: 26 total cpu time spent up to now is 28.1 secs Computing kpt #: 27 total cpu time spent up to now is 29.0 secs Computing kpt #: 28 total cpu time spent up to now is 30.0 secs Computing kpt #: 29 total cpu time spent up to now is 31.0 secs Computing kpt #: 30 total cpu time spent up to now is 32.0 secs Computing kpt #: 31 total cpu time spent up to now is 33.0 secs Computing kpt #: 32 total cpu time spent up to now is 34.0 secs Computing kpt #: 33 total cpu time spent up to now is 35.0 secs Computing kpt #: 34 total cpu time spent up to now is 36.1 secs Computing kpt #: 35 total cpu time spent up to now is 37.1 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 39.3 secs Computing kpt #: 38 total cpu time spent up to now is 40.3 secs Computing kpt #: 39 total cpu time spent up to now is 41.4 secs Computing kpt #: 40 total cpu time spent up to now is 42.5 secs Computing kpt #: 41 total cpu time spent up to now is 43.5 secs Computing kpt #: 42 total cpu time spent up to now is 44.6 secs Computing kpt #: 43 total cpu time spent up to now is 45.7 secs Computing kpt #: 44 total cpu time spent up to now is 46.8 secs Computing kpt #: 45 total cpu time spent up to now is 47.8 secs Computing kpt #: 46 total cpu time spent up to now is 48.9 secs Computing kpt #: 47 total cpu time spent up to now is 49.9 secs Computing kpt #: 48 total cpu time spent up to now is 51.0 secs Computing kpt #: 49 total cpu time spent up to now is 52.1 secs Computing kpt #: 50 total cpu time spent up to now is 53.1 secs Computing kpt #: 51 total cpu time spent up to now is 54.2 secs Computing kpt #: 52 total cpu time spent up to now is 55.3 secs Computing kpt #: 53 total cpu time spent up to now is 56.3 secs Computing kpt #: 54 total cpu time spent up to now is 57.3 secs Computing kpt #: 55 total cpu time spent up to now is 58.4 secs Computing kpt #: 56 total cpu time spent up to now is 59.4 secs Computing kpt #: 57 total cpu time spent up to now is 60.5 secs Computing kpt #: 58 total cpu time spent up to now is 61.6 secs Computing kpt #: 59 total cpu time spent up to now is 62.8 secs Computing kpt #: 60 total cpu time spent up to now is 63.9 secs Computing kpt #: 61 total cpu time spent up to now is 65.0 secs Computing kpt #: 62 total cpu time spent up to now is 70.1 secs Computing kpt #: 63 total cpu time spent up to now is 71.3 secs Computing kpt #: 64 total cpu time spent up to now is 72.3 secs Computing kpt #: 65 total cpu time spent up to now is 73.3 secs Computing kpt #: 66 total cpu time spent up to now is 74.3 secs Computing kpt #: 67 total cpu time spent up to now is 75.3 secs Computing kpt #: 68 total cpu time spent up to now is 76.3 secs Computing kpt #: 69 total cpu time spent up to now is 77.2 secs Computing kpt #: 70 total cpu time spent up to now is 78.2 secs Computing kpt #: 71 total cpu time spent up to now is 79.2 secs Computing kpt #: 72 total cpu time spent up to now is 80.2 secs Computing kpt #: 73 total cpu time spent up to now is 81.2 secs Computing kpt #: 74 total cpu time spent up to now is 82.2 secs Computing kpt #: 75 total cpu time spent up to now is 83.2 secs Computing kpt #: 76 total cpu time spent up to now is 84.1 secs Computing kpt #: 77 total cpu time spent up to now is 85.2 secs Computing kpt #: 78 total cpu time spent up to now is 86.4 secs Computing kpt #: 79 total cpu time spent up to now is 87.4 secs Computing kpt #: 80 total cpu time spent up to now is 88.3 secs Computing kpt #: 81 total cpu time spent up to now is 89.3 secs Computing kpt #: 82 total cpu time spent up to now is 90.2 secs Computing kpt #: 83 total cpu time spent up to now is 91.1 secs Computing kpt #: 84 total cpu time spent up to now is 92.0 secs Computing kpt #: 85 total cpu time spent up to now is 92.9 secs Computing kpt #: 86 total cpu time spent up to now is 93.8 secs Computing kpt #: 87 total cpu time spent up to now is 94.7 secs Computing kpt #: 88 total cpu time spent up to now is 95.6 secs Computing kpt #: 89 total cpu time spent up to now is 96.5 secs Computing kpt #: 90 total cpu time spent up to now is 97.5 secs Computing kpt #: 91 total cpu time spent up to now is 98.4 secs Computing kpt #: 92 total cpu time spent up to now is 99.4 secs Computing kpt #: 93 total cpu time spent up to now is 100.3 secs Computing kpt #: 94 total cpu time spent up to now is 101.3 secs Computing kpt #: 95 total cpu time spent up to now is 102.2 secs Computing kpt #: 96 total cpu time spent up to now is 103.2 secs Computing kpt #: 97 total cpu time spent up to now is 104.2 secs Computing kpt #: 98 total cpu time spent up to now is 105.1 secs Computing kpt #: 99 total cpu time spent up to now is 106.1 secs Computing kpt #: 100 total cpu time spent up to now is 107.1 secs Computing kpt #: 101 total cpu time spent up to now is 108.0 secs Computing kpt #: 102 total cpu time spent up to now is 109.0 secs Computing kpt #: 103 total cpu time spent up to now is 110.1 secs Computing kpt #: 104 total cpu time spent up to now is 111.1 secs Computing kpt #: 105 total cpu time spent up to now is 112.1 secs Computing kpt #: 106 total cpu time spent up to now is 113.1 secs Computing kpt #: 107 total cpu time spent up to now is 114.2 secs Computing kpt #: 108 total cpu time spent up to now is 115.5 secs Computing kpt #: 109 total cpu time spent up to now is 116.8 secs Computing kpt #: 110 total cpu time spent up to now is 118.0 secs Computing kpt #: 111 total cpu time spent up to now is 119.3 secs Computing kpt #: 112 total cpu time spent up to now is 120.4 secs Computing kpt #: 113 total cpu time spent up to now is 121.4 secs Computing kpt #: 114 total cpu time spent up to now is 122.6 secs Computing kpt #: 115 total cpu time spent up to now is 123.6 secs Computing kpt #: 116 total cpu time spent up to now is 124.6 secs Computing kpt #: 117 total cpu time spent up to now is 125.6 secs Computing kpt #: 118 total cpu time spent up to now is 126.6 secs Computing kpt #: 119 total cpu time spent up to now is 127.6 secs Computing kpt #: 120 total cpu time spent up to now is 128.6 secs Computing kpt #: 121 total cpu time spent up to now is 129.6 secs Computing kpt #: 122 total cpu time spent up to now is 130.6 secs Computing kpt #: 123 total cpu time spent up to now is 131.5 secs Computing kpt #: 124 total cpu time spent up to now is 132.5 secs Computing kpt #: 125 total cpu time spent up to now is 133.4 secs Computing kpt #: 126 total cpu time spent up to now is 134.4 secs Computing kpt #: 127 total cpu time spent up to now is 135.3 secs Computing kpt #: 128 total cpu time spent up to now is 136.2 secs Computing kpt #: 129 total cpu time spent up to now is 137.2 secs Computing kpt #: 130 total cpu time spent up to now is 138.1 secs Computing kpt #: 131 total cpu time spent up to now is 139.0 secs Computing kpt #: 132 total cpu time spent up to now is 140.0 secs Computing kpt #: 133 total cpu time spent up to now is 140.9 secs Computing kpt #: 134 total cpu time spent up to now is 141.8 secs Computing kpt #: 135 total cpu time spent up to now is 142.7 secs Computing kpt #: 136 total cpu time spent up to now is 143.6 secs Computing kpt #: 137 total cpu time spent up to now is 144.5 secs Computing kpt #: 138 total cpu time spent up to now is 145.4 secs Computing kpt #: 139 total cpu time spent up to now is 146.3 secs Computing kpt #: 140 total cpu time spent up to now is 147.2 secs Computing kpt #: 141 total cpu time spent up to now is 148.1 secs Computing kpt #: 142 total cpu time spent up to now is 149.0 secs Computing kpt #: 143 total cpu time spent up to now is 149.9 secs Computing kpt #: 144 total cpu time spent up to now is 150.8 secs Computing kpt #: 145 total cpu time spent up to now is 151.7 secs Computing kpt #: 146 total cpu time spent up to now is 152.6 secs Computing kpt #: 147 total cpu time spent up to now is 153.5 secs Computing kpt #: 148 total cpu time spent up to now is 154.4 secs Computing kpt #: 149 total cpu time spent up to now is 155.3 secs Computing kpt #: 150 total cpu time spent up to now is 156.2 secs Computing kpt #: 151 total cpu time spent up to now is 157.1 secs Computing kpt #: 152 total cpu time spent up to now is 158.0 secs Computing kpt #: 153 total cpu time spent up to now is 158.9 secs Computing kpt #: 154 total cpu time spent up to now is 159.8 secs Computing kpt #: 155 total cpu time spent up to now is 160.7 secs Computing kpt #: 156 total cpu time spent up to now is 161.6 secs Computing kpt #: 157 total cpu time spent up to now is 162.6 secs Computing kpt #: 158 total cpu time spent up to now is 163.6 secs Computing kpt #: 159 total cpu time spent up to now is 164.6 secs Computing kpt #: 160 total cpu time spent up to now is 165.6 secs Computing kpt #: 161 total cpu time spent up to now is 166.6 secs Computing kpt #: 162 total cpu time spent up to now is 167.7 secs Computing kpt #: 163 total cpu time spent up to now is 168.7 secs Computing kpt #: 164 total cpu time spent up to now is 169.7 secs Computing kpt #: 165 total cpu time spent up to now is 170.8 secs Computing kpt #: 166 total cpu time spent up to now is 171.8 secs Computing kpt #: 167 total cpu time spent up to now is 172.9 secs Computing kpt #: 168 total cpu time spent up to now is 173.9 secs Computing kpt #: 169 total cpu time spent up to now is 174.9 secs Computing kpt #: 170 total cpu time spent up to now is 176.0 secs Computing kpt #: 171 total cpu time spent up to now is 177.0 secs Computing kpt #: 172 total cpu time spent up to now is 178.1 secs Computing kpt #: 173 total cpu time spent up to now is 179.1 secs Computing kpt #: 174 total cpu time spent up to now is 180.1 secs Computing kpt #: 175 total cpu time spent up to now is 181.1 secs Computing kpt #: 176 total cpu time spent up to now is 182.1 secs Computing kpt #: 177 total cpu time spent up to now is 183.1 secs Computing kpt #: 178 total cpu time spent up to now is 184.1 secs Computing kpt #: 179 total cpu time spent up to now is 185.1 secs Computing kpt #: 180 total cpu time spent up to now is 186.2 secs Computing kpt #: 181 total cpu time spent up to now is 187.3 secs Computing kpt #: 182 total cpu time spent up to now is 188.2 secs Computing kpt #: 183 total cpu time spent up to now is 189.3 secs Computing kpt #: 184 total cpu time spent up to now is 190.3 secs Computing kpt #: 185 total cpu time spent up to now is 191.4 secs Computing kpt #: 186 total cpu time spent up to now is 192.4 secs Computing kpt #: 187 total cpu time spent up to now is 193.5 secs Computing kpt #: 188 total cpu time spent up to now is 194.5 secs Computing kpt #: 189 total cpu time spent up to now is 195.5 secs Computing kpt #: 190 total cpu time spent up to now is 196.7 secs Computing kpt #: 191 total cpu time spent up to now is 197.7 secs Computing kpt #: 192 total cpu time spent up to now is 198.9 secs Computing kpt #: 193 total cpu time spent up to now is 200.1 secs Computing kpt #: 194 total cpu time spent up to now is 201.3 secs Computing kpt #: 195 total cpu time spent up to now is 202.3 secs Computing kpt #: 196 total cpu time spent up to now is 203.5 secs Computing kpt #: 197 total cpu time spent up to now is 204.6 secs Computing kpt #: 198 total cpu time spent up to now is 205.6 secs Computing kpt #: 199 total cpu time spent up to now is 206.8 secs Computing kpt #: 200 total cpu time spent up to now is 207.9 secs Computing kpt #: 201 total cpu time spent up to now is 208.9 secs Computing kpt #: 202 total cpu time spent up to now is 209.9 secs Computing kpt #: 203 total cpu time spent up to now is 211.0 secs Computing kpt #: 204 total cpu time spent up to now is 212.0 secs Computing kpt #: 205 total cpu time spent up to now is 213.1 secs Computing kpt #: 206 total cpu time spent up to now is 214.1 secs Computing kpt #: 207 total cpu time spent up to now is 215.2 secs Computing kpt #: 208 total cpu time spent up to now is 216.3 secs Computing kpt #: 209 total cpu time spent up to now is 217.3 secs Computing kpt #: 210 total cpu time spent up to now is 218.3 secs Computing kpt #: 211 total cpu time spent up to now is 219.3 secs Computing kpt #: 212 total cpu time spent up to now is 220.3 secs Computing kpt #: 213 total cpu time spent up to now is 221.3 secs Computing kpt #: 214 total cpu time spent up to now is 222.3 secs Computing kpt #: 215 total cpu time spent up to now is 223.3 secs Computing kpt #: 216 total cpu time spent up to now is 224.3 secs Computing kpt #: 217 total cpu time spent up to now is 225.3 secs Computing kpt #: 218 total cpu time spent up to now is 226.3 secs Computing kpt #: 219 total cpu time spent up to now is 227.3 secs Computing kpt #: 220 total cpu time spent up to now is 228.3 secs Computing kpt #: 221 total cpu time spent up to now is 229.3 secs Computing kpt #: 222 total cpu time spent up to now is 230.4 secs Computing kpt #: 223 total cpu time spent up to now is 231.4 secs Computing kpt #: 224 total cpu time spent up to now is 232.4 secs Computing kpt #: 225 total cpu time spent up to now is 233.4 secs Computing kpt #: 226 total cpu time spent up to now is 234.6 secs Computing kpt #: 227 total cpu time spent up to now is 235.7 secs Computing kpt #: 228 total cpu time spent up to now is 236.9 secs Computing kpt #: 229 total cpu time spent up to now is 237.9 secs Computing kpt #: 230 total cpu time spent up to now is 238.9 secs Computing kpt #: 231 total cpu time spent up to now is 239.9 secs Computing kpt #: 232 total cpu time spent up to now is 241.0 secs Computing kpt #: 233 total cpu time spent up to now is 242.1 secs Computing kpt #: 234 total cpu time spent up to now is 243.1 secs Computing kpt #: 235 total cpu time spent up to now is 244.1 secs Computing kpt #: 236 total cpu time spent up to now is 245.1 secs Computing kpt #: 237 total cpu time spent up to now is 246.2 secs Computing kpt #: 238 total cpu time spent up to now is 247.2 secs Computing kpt #: 239 total cpu time spent up to now is 248.2 secs Computing kpt #: 240 total cpu time spent up to now is 249.3 secs Computing kpt #: 241 total cpu time spent up to now is 250.4 secs Computing kpt #: 242 total cpu time spent up to now is 251.3 secs Computing kpt #: 243 total cpu time spent up to now is 252.4 secs Computing kpt #: 244 total cpu time spent up to now is 253.5 secs Computing kpt #: 245 total cpu time spent up to now is 254.5 secs Computing kpt #: 246 total cpu time spent up to now is 255.5 secs Computing kpt #: 247 total cpu time spent up to now is 256.6 secs Computing kpt #: 248 total cpu time spent up to now is 257.7 secs Computing kpt #: 249 total cpu time spent up to now is 258.7 secs Computing kpt #: 250 total cpu time spent up to now is 259.7 secs Computing kpt #: 251 total cpu time spent up to now is 260.7 secs Computing kpt #: 252 total cpu time spent up to now is 261.8 secs Computing kpt #: 253 total cpu time spent up to now is 262.8 secs Computing kpt #: 254 total cpu time spent up to now is 263.8 secs Computing kpt #: 255 total cpu time spent up to now is 264.8 secs Computing kpt #: 256 total cpu time spent up to now is 265.9 secs Computing kpt #: 257 total cpu time spent up to now is 266.9 secs Computing kpt #: 258 total cpu time spent up to now is 268.0 secs Computing kpt #: 259 total cpu time spent up to now is 269.0 secs Computing kpt #: 260 total cpu time spent up to now is 270.0 secs Computing kpt #: 261 total cpu time spent up to now is 271.1 secs Computing kpt #: 262 total cpu time spent up to now is 272.1 secs Computing kpt #: 263 total cpu time spent up to now is 273.1 secs Computing kpt #: 264 total cpu time spent up to now is 274.2 secs Computing kpt #: 265 total cpu time spent up to now is 275.3 secs Computing kpt #: 266 total cpu time spent up to now is 276.3 secs Computing kpt #: 267 total cpu time spent up to now is 277.3 secs Computing kpt #: 268 total cpu time spent up to now is 278.3 secs Computing kpt #: 269 total cpu time spent up to now is 279.3 secs Computing kpt #: 270 total cpu time spent up to now is 280.3 secs Computing kpt #: 271 total cpu time spent up to now is 281.2 secs Computing kpt #: 272 total cpu time spent up to now is 282.2 secs Computing kpt #: 273 total cpu time spent up to now is 283.2 secs Computing kpt #: 274 total cpu time spent up to now is 284.2 secs Computing kpt #: 275 total cpu time spent up to now is 285.3 secs Computing kpt #: 276 total cpu time spent up to now is 286.3 secs Computing kpt #: 277 total cpu time spent up to now is 287.3 secs Computing kpt #: 278 total cpu time spent up to now is 288.4 secs Computing kpt #: 279 total cpu time spent up to now is 289.6 secs Computing kpt #: 280 total cpu time spent up to now is 290.8 secs Computing kpt #: 281 total cpu time spent up to now is 292.0 secs Computing kpt #: 282 total cpu time spent up to now is 293.1 secs Computing kpt #: 283 total cpu time spent up to now is 294.2 secs Computing kpt #: 284 total cpu time spent up to now is 295.3 secs Computing kpt #: 285 total cpu time spent up to now is 296.5 secs Computing kpt #: 286 total cpu time spent up to now is 297.7 secs Computing kpt #: 287 total cpu time spent up to now is 298.9 secs Computing kpt #: 288 total cpu time spent up to now is 300.1 secs Computing kpt #: 289 total cpu time spent up to now is 301.3 secs Computing kpt #: 290 total cpu time spent up to now is 302.4 secs Computing kpt #: 291 total cpu time spent up to now is 303.6 secs Computing kpt #: 292 total cpu time spent up to now is 304.8 secs Computing kpt #: 293 total cpu time spent up to now is 305.8 secs Computing kpt #: 294 total cpu time spent up to now is 307.0 secs Computing kpt #: 295 total cpu time spent up to now is 308.1 secs Computing kpt #: 296 total cpu time spent up to now is 309.1 secs Computing kpt #: 297 total cpu time spent up to now is 310.1 secs Computing kpt #: 298 total cpu time spent up to now is 311.0 secs Computing kpt #: 299 total cpu time spent up to now is 312.0 secs Computing kpt #: 300 total cpu time spent up to now is 313.0 secs Computing kpt #: 301 total cpu time spent up to now is 314.1 secs Computing kpt #: 302 total cpu time spent up to now is 315.1 secs Computing kpt #: 303 total cpu time spent up to now is 316.1 secs Computing kpt #: 304 total cpu time spent up to now is 317.2 secs Computing kpt #: 305 total cpu time spent up to now is 318.2 secs Computing kpt #: 306 total cpu time spent up to now is 319.2 secs Computing kpt #: 307 total cpu time spent up to now is 320.3 secs Computing kpt #: 308 total cpu time spent up to now is 321.4 secs Computing kpt #: 309 total cpu time spent up to now is 322.4 secs Computing kpt #: 310 total cpu time spent up to now is 323.5 secs Computing kpt #: 311 total cpu time spent up to now is 324.6 secs Computing kpt #: 312 total cpu time spent up to now is 325.6 secs Computing kpt #: 313 total cpu time spent up to now is 326.7 secs Computing kpt #: 314 total cpu time spent up to now is 327.8 secs Computing kpt #: 315 total cpu time spent up to now is 328.8 secs Computing kpt #: 316 total cpu time spent up to now is 329.9 secs Computing kpt #: 317 total cpu time spent up to now is 330.9 secs Computing kpt #: 318 total cpu time spent up to now is 332.0 secs Computing kpt #: 319 total cpu time spent up to now is 333.1 secs Computing kpt #: 320 total cpu time spent up to now is 334.2 secs Computing kpt #: 321 total cpu time spent up to now is 335.2 secs Computing kpt #: 322 total cpu time spent up to now is 336.3 secs Computing kpt #: 323 total cpu time spent up to now is 337.5 secs Computing kpt #: 324 total cpu time spent up to now is 338.6 secs Computing kpt #: 325 total cpu time spent up to now is 339.6 secs Computing kpt #: 326 total cpu time spent up to now is 340.7 secs Computing kpt #: 327 total cpu time spent up to now is 341.7 secs Computing kpt #: 328 total cpu time spent up to now is 342.8 secs Computing kpt #: 329 total cpu time spent up to now is 343.8 secs Computing kpt #: 330 total cpu time spent up to now is 344.9 secs Computing kpt #: 331 total cpu time spent up to now is 345.8 secs Computing kpt #: 332 total cpu time spent up to now is 346.8 secs Computing kpt #: 333 total cpu time spent up to now is 347.7 secs Computing kpt #: 334 total cpu time spent up to now is 348.6 secs Computing kpt #: 335 total cpu time spent up to now is 349.5 secs Computing kpt #: 336 total cpu time spent up to now is 350.4 secs Computing kpt #: 337 total cpu time spent up to now is 351.3 secs Computing kpt #: 338 total cpu time spent up to now is 352.2 secs Computing kpt #: 339 total cpu time spent up to now is 353.2 secs Computing kpt #: 340 total cpu time spent up to now is 354.1 secs Computing kpt #: 341 total cpu time spent up to now is 355.1 secs Computing kpt #: 342 total cpu time spent up to now is 356.1 secs Computing kpt #: 343 total cpu time spent up to now is 357.0 secs Computing kpt #: 344 total cpu time spent up to now is 358.1 secs Computing kpt #: 345 total cpu time spent up to now is 359.1 secs Computing kpt #: 346 total cpu time spent up to now is 360.1 secs Computing kpt #: 347 total cpu time spent up to now is 361.1 secs Computing kpt #: 348 total cpu time spent up to now is 362.1 secs Computing kpt #: 349 total cpu time spent up to now is 363.1 secs Computing kpt #: 350 total cpu time spent up to now is 364.1 secs Computing kpt #: 351 total cpu time spent up to now is 365.2 secs Computing kpt #: 352 total cpu time spent up to now is 366.2 secs ethr = 1.43E-08, avg # of iterations = 19.0 total cpu time spent up to now is 366.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4207 PWs) bands (ev): -30.7049 -30.7049 -15.6793 -15.6793 -11.8671 -11.8671 -10.6583 -10.6583 -10.2603 -10.2603 -8.1065 -8.1065 -7.1921 -7.1921 -6.9814 -6.9814 -6.4408 -6.4408 -6.3325 -6.3325 -2.1374 -2.1374 -0.2628 -0.2628 -0.0303 -0.0303 5.3085 5.3085 5.3437 5.3437 5.3553 5.3553 5.8188 5.8188 5.8741 5.8741 6.2997 6.2997 6.4142 6.4142 7.5461 7.5461 7.8185 7.8185 7.8489 7.8489 7.9434 7.9434 7.9956 7.9956 8.0959 8.0959 8.2058 8.2058 8.6633 8.6633 8.7251 8.7251 9.2452 9.2452 9.3379 9.3379 9.4729 9.4729 9.5292 9.5292 9.5472 9.5472 10.6730 10.6730 10.7355 10.7355 11.1770 11.1770 11.6002 11.6002 13.4632 13.4632 13.7753 13.7753 14.3595 14.3595 15.5691 15.5691 k = 0.0000 0.0122-0.0000 ( 4207 PWs) bands (ev): -30.7049 -30.7049 -15.6792 -15.6792 -11.8672 -11.8671 -10.6586 -10.6581 -10.2610 -10.2610 -8.1073 -8.1036 -7.1920 -7.1920 -6.9829 -6.9798 -6.4410 -6.4410 -6.3331 -6.3330 -2.1375 -2.1370 -0.2630 -0.2623 -0.0301 -0.0301 5.3082 5.3098 5.3431 5.3447 5.3554 5.3555 5.8174 5.8184 5.8727 5.8738 6.2995 6.2997 6.4148 6.4152 7.5422 7.5466 7.8011 7.8311 7.8426 7.8485 7.9278 7.9612 7.9964 7.9966 8.0940 8.0971 8.2043 8.2051 8.6624 8.6624 8.7231 8.7249 9.2354 9.2440 9.3260 9.3403 9.4672 9.4767 9.5312 9.5334 9.5476 9.5666 10.6687 10.6718 10.7289 10.7372 11.1781 11.1868 11.5999 11.6021 13.4662 13.4665 13.7785 13.7786 14.3623 14.3625 15.5687 15.5688 k = 0.0000 0.0244-0.0000 ( 4199 PWs) bands (ev): -30.7049 -30.7049 -15.6786 -15.6786 -11.8674 -11.8671 -10.6592 -10.6580 -10.2629 -10.2629 -8.1061 -8.0987 -7.1917 -7.1915 -6.9844 -6.9780 -6.4414 -6.4414 -6.3348 -6.3348 -2.1372 -2.1363 -0.2630 -0.2617 -0.0296 -0.0296 5.3087 5.3120 5.3425 5.3461 5.3561 5.3561 5.8140 5.8162 5.8699 5.8717 6.2991 6.2994 6.4169 6.4178 7.5348 7.5435 7.7814 7.8300 7.8363 7.8420 7.9176 7.9784 7.9985 7.9986 8.0914 8.0980 8.2008 8.2024 8.6595 8.6597 8.7187 8.7227 9.2123 9.2327 9.3143 9.3301 9.4637 9.4784 9.5407 9.5440 9.5646 9.5984 10.6572 10.6657 10.7206 10.7337 11.1901 11.2060 11.6011 11.6058 13.4755 13.4760 13.7882 13.7883 14.3707 14.3711 15.5678 15.5680 k = 0.0000 0.0366-0.0000 ( 4196 PWs) bands (ev): -30.7048 -30.7048 -15.6778 -15.6778 -11.8676 -11.8671 -10.6598 -10.6581 -10.2661 -10.2661 -8.1028 -8.0918 -7.1912 -7.1908 -6.9857 -6.9760 -6.4421 -6.4420 -6.3377 -6.3376 -2.1367 -2.1353 -0.2628 -0.2608 -0.0288 -0.0288 5.3096 5.3153 5.3414 5.3479 5.3572 5.3576 5.8078 5.8118 5.8666 5.8685 6.2983 6.2989 6.4205 6.4216 7.5244 7.5371 7.7600 7.8148 7.8289 7.8310 7.9147 7.9913 8.0002 8.0007 8.0880 8.0997 8.1960 8.1978 8.6546 8.6551 8.7128 8.7194 9.1771 9.2096 9.3071 9.3154 9.4627 9.4793 9.5568 9.5607 9.5920 9.6355 10.6377 10.6539 10.7140 10.7273 11.2113 11.2321 11.6040 11.6111 13.4909 13.4917 13.8042 13.8045 14.3846 14.3852 15.5663 15.5665 k = 0.0000 0.0488-0.0000 ( 4198 PWs) bands (ev): -30.7046 -30.7046 -15.6766 -15.6766 -11.8679 -11.8672 -10.6607 -10.6584 -10.2705 -10.2704 -8.0975 -8.0829 -7.1907 -7.1898 -6.9870 -6.9736 -6.4432 -6.4429 -6.3416 -6.3416 -2.1358 -2.1339 -0.2623 -0.2598 -0.0277 -0.0276 5.3105 5.3195 5.3394 5.3500 5.3595 5.3603 5.7985 5.8046 5.8636 5.8651 6.2974 6.2980 6.4253 6.4264 7.5114 7.5276 7.7372 7.7972 7.8127 7.8175 7.9158 7.9953 7.9998 8.0032 8.0837 8.1033 8.1908 8.1921 8.6477 8.6488 8.7062 8.7161 9.1340 9.1747 9.3032 9.3032 9.4625 9.4801 9.5787 9.5833 9.6248 9.6740 10.6115 10.6359 10.7097 10.7208 11.2393 11.2628 11.6084 11.6183 13.5123 13.5134 13.8267 13.8271 14.4041 14.4049 15.5642 15.5645 k = 0.0000 0.0610-0.0000 ( 4198 PWs) bands (ev): -30.7045 -30.7045 -15.6751 -15.6751 -11.8682 -11.8674 -10.6617 -10.6588 -10.2760 -10.2758 -8.0903 -8.0722 -7.1903 -7.1886 -6.9883 -6.9709 -6.4445 -6.4439 -6.3466 -6.3466 -2.1347 -2.1323 -0.2617 -0.2585 -0.0262 -0.0262 5.3108 5.3242 5.3369 5.3525 5.3631 5.3643 5.7857 5.7941 5.8617 5.8623 6.2962 6.2968 6.4309 6.4320 7.4962 7.5154 7.7128 7.7765 7.7934 7.8032 7.9156 7.9903 7.9967 8.0032 8.0778 8.1087 8.1859 8.1859 8.6392 8.6408 8.7003 8.7142 9.0864 9.1315 9.2944 9.3009 9.4623 9.4810 9.6056 9.6110 9.6599 9.7123 10.5816 10.6129 10.7068 10.7154 11.2717 11.2958 11.6145 11.6276 13.5395 13.5408 13.8555 13.8559 14.4288 14.4297 15.5616 15.5619 k = 0.0000 0.0732-0.0000 ( 4182 PWs) bands (ev): -30.7042 -30.7042 -15.6732 -15.6732 -11.8686 -11.8677 -10.6629 -10.6595 -10.2824 -10.2821 -8.0812 -8.0597 -7.1900 -7.1873 -6.9895 -6.9676 -6.4462 -6.4451 -6.3526 -6.3526 -2.1332 -2.1304 -0.2609 -0.2571 -0.0244 -0.0243 5.3098 5.3275 5.3355 5.3559 5.3681 5.3695 5.7699 5.7804 5.8604 5.8608 6.2948 6.2953 6.4371 6.4379 7.4796 7.5012 7.6865 7.7509 7.7760 7.7889 7.9109 7.9772 7.9906 7.9998 8.0697 8.1132 8.1799 8.1815 8.6299 8.6317 8.6962 8.7144 9.0365 9.0837 9.2878 9.2995 9.4621 9.4819 9.6368 9.6431 9.6953 9.7496 10.5502 10.5866 10.7047 10.7112 11.3064 11.3295 11.6225 11.6391 13.5721 13.5736 13.8904 13.8910 14.4585 14.4597 15.5584 15.5588 k = 0.0000 0.0854-0.0000 ( 4178 PWs) bands (ev): -30.7040 -30.7040 -15.6711 -15.6711 -11.8692 -11.8681 -10.6644 -10.6604 -10.2897 -10.2892 -8.0705 -8.0456 -7.1901 -7.1859 -6.9906 -6.9639 -6.4482 -6.4465 -6.3596 -6.3594 -2.1315 -2.1282 -0.2599 -0.2554 -0.0223 -0.0221 5.3070 5.3246 5.3397 5.3604 5.3744 5.3757 5.7517 5.7639 5.8596 5.8609 6.2930 6.2934 6.4436 6.4438 7.4621 7.4855 7.6583 7.7211 7.7610 7.7753 7.9001 7.9565 7.9818 7.9941 8.0593 8.1132 8.1743 8.1766 8.6210 8.6225 8.6943 8.7171 8.9852 9.0337 9.2823 9.2985 9.4618 9.4829 9.6714 9.6787 9.7301 9.7851 10.5187 10.5590 10.7028 10.7079 11.3416 11.3624 11.6324 11.6529 13.6099 13.6115 13.9315 13.9322 14.4931 14.4944 15.5547 15.5552 k = 0.0000 0.0976-0.0000 ( 4174 PWs) bands (ev): -30.7037 -30.7037 -15.6686 -15.6686 -11.8698 -11.8686 -10.6661 -10.6615 -10.2976 -10.2970 -8.0581 -8.0301 -7.1906 -7.1846 -6.9915 -6.9595 -6.4506 -6.4480 -6.3673 -6.3671 -2.1294 -2.1257 -0.2587 -0.2536 -0.0198 -0.0196 5.3024 5.3186 5.3462 5.3661 5.3817 5.3829 5.7318 5.7452 5.8598 5.8618 6.2910 6.2910 6.4495 6.4500 7.4443 7.4689 7.6282 7.6886 7.7476 7.7626 7.8828 7.9298 7.9706 7.9863 8.0469 8.1072 8.1676 8.1695 8.6140 8.6148 8.6949 8.7222 8.9336 8.9834 9.2775 9.2979 9.4612 9.4838 9.7087 9.7174 9.7637 9.8186 10.4882 10.5315 10.7012 10.7050 11.3759 11.3935 11.6445 11.6693 13.6524 13.6542 13.9785 13.9794 14.5322 14.5336 15.5506 15.5511 k = 0.0000 0.1098-0.0000 ( 4172 PWs) bands (ev): -30.7034 -30.7034 -15.6659 -15.6658 -11.8706 -11.8692 -10.6681 -10.6630 -10.3061 -10.3052 -8.0443 -8.0132 -7.1917 -7.1836 -6.9921 -6.9544 -6.4533 -6.4497 -6.3758 -6.3754 -2.1271 -2.1230 -0.2573 -0.2516 -0.0170 -0.0167 5.2959 5.3109 5.3531 5.3726 5.3900 5.3911 5.7109 5.7251 5.8607 5.8633 6.2882 6.2886 6.4549 6.4562 7.4267 7.4520 7.5963 7.6541 7.7352 7.7506 7.8595 7.8984 7.9574 7.9765 8.0328 8.0958 8.1570 8.1582 8.6099 8.6099 8.6978 8.7294 8.8825 8.9345 9.2731 9.2974 9.4606 9.4847 9.7479 9.7583 9.7960 9.8500 10.4594 10.5050 10.6997 10.7025 11.4083 11.4220 11.6590 11.6882 13.6992 13.7012 14.0314 14.0324 14.5756 14.5771 15.5460 15.5465 k = 0.0000 0.1220-0.0000 ( 4176 PWs) bands (ev): -30.7031 -30.7031 -15.6628 -15.6628 -11.8715 -11.8700 -10.6705 -10.6648 -10.3149 -10.3137 -8.0291 -7.9951 -7.1935 -7.1830 -6.9923 -6.9487 -6.4565 -6.4517 -6.3847 -6.3841 -2.1245 -2.1200 -0.2558 -0.2494 -0.0139 -0.0134 5.2876 5.3017 5.3596 5.3792 5.3993 5.4001 5.6899 5.7043 5.8621 5.8654 6.2847 6.2858 6.4596 6.4620 7.4098 7.4354 7.5629 7.6181 7.7233 7.7392 7.8310 7.8633 7.9426 7.9649 8.0169 8.0803 8.1404 8.1411 8.6083 8.6085 8.7027 8.7382 8.8329 8.8892 9.2689 9.2972 9.4597 9.4856 9.7879 9.8010 9.8272 9.8790 10.4330 10.4804 10.6983 10.7002 11.4377 11.4473 11.6759 11.7094 13.7499 13.7519 14.0898 14.0910 14.6229 14.6244 15.5410 15.5416 k = 0.0000 0.1341-0.0000 ( 4186 PWs) bands (ev): -30.7027 -30.7027 -15.6596 -15.6596 -11.8725 -11.8709 -10.6731 -10.6669 -10.3238 -10.3223 -8.0127 -7.9760 -7.1961 -7.1831 -6.9920 -6.9422 -6.4602 -6.4541 -6.3938 -6.3931 -2.1217 -2.1168 -0.2541 -0.2471 -0.0104 -0.0098 5.2775 5.2911 5.3650 5.3854 5.4095 5.4101 5.6696 5.6838 5.8641 5.8679 6.2807 6.2825 6.4637 6.4672 7.3939 7.4194 7.5280 7.5807 7.7114 7.7280 7.7984 7.8257 7.9268 7.9515 7.9991 8.0615 8.1171 8.1179 8.6067 8.6095 8.7092 8.7477 8.7866 8.8508 9.2651 9.2973 9.4588 9.4864 9.8266 9.8449 9.8588 9.9058 10.4093 10.4582 10.6968 10.6980 11.4638 11.4695 11.6952 11.7326 13.8040 13.8061 14.1537 14.1551 14.6738 14.6753 15.5356 15.5362 k = 0.0000 0.1463-0.0000 ( 4192 PWs) bands (ev): -30.7023 -30.7023 -15.6560 -15.6560 -11.8738 -11.8721 -10.6762 -10.6695 -10.3327 -10.3309 -7.9953 -7.9559 -7.1996 -7.1840 -6.9910 -6.9349 -6.4646 -6.4572 -6.4028 -6.4020 -2.1186 -2.1134 -0.2522 -0.2446 -0.0065 -0.0059 5.2658 5.2789 5.3686 5.3901 5.4206 5.4210 5.6509 5.6642 5.8666 5.8709 6.2760 6.2787 6.4670 6.4718 7.3793 7.4045 7.4919 7.5422 7.6990 7.7163 7.7631 7.7867 7.9105 7.9363 7.9791 8.0397 8.0881 8.0888 8.6008 8.6096 8.7166 8.7476 8.7565 8.8247 9.2615 9.2977 9.4577 9.4871 9.8607 9.8896 9.8937 9.9303 10.3888 10.4389 10.6955 10.6959 11.4862 11.4886 11.7165 11.7573 13.8609 13.8630 14.2226 14.2243 14.7280 14.7295 15.5299 15.5305 k = 0.0000 0.1585-0.0000 ( 4192 PWs) bands (ev): -30.7019 -30.7019 -15.6523 -15.6523 -11.8752 -11.8734 -10.6796 -10.6725 -10.3414 -10.3392 -7.9769 -7.9352 -7.2040 -7.1860 -6.9892 -6.9271 -6.4699 -6.4614 -6.4109 -6.4106 -2.1153 -2.1098 -0.2501 -0.2420 -0.0023 -0.0015 5.2525 5.2653 5.3692 5.3924 5.4328 5.4328 5.6348 5.6468 5.8695 5.8743 6.2707 6.2744 6.4698 6.4758 7.3660 7.3908 7.4549 7.5027 7.6845 7.7020 7.7270 7.7488 7.8941 7.9190 7.9568 8.0144 8.0549 8.0557 8.5856 8.6011 8.7159 8.7315 8.7639 8.8155 9.2583 9.2983 9.4565 9.4879 9.8882 9.9336 9.9338 9.9535 10.3718 10.4227 10.6940 10.6942 11.5050 11.5053 11.7394 11.7826 13.9202 13.9224 14.2964 14.2984 14.7852 14.7866 15.5239 15.5246 k = 0.0000 0.1707-0.0000 ( 4196 PWs) bands (ev): -30.7015 -30.7015 -15.6484 -15.6484 -11.8768 -11.8749 -10.6834 -10.6759 -10.3497 -10.3472 -7.9578 -7.9139 -7.2093 -7.1892 -6.9866 -6.9186 -6.4763 -6.4673 -6.4184 -6.4176 -2.1118 -2.1060 -0.2479 -0.2393 0.0022 0.0031 5.2375 5.2500 5.3662 5.3913 5.4456 5.4459 5.6222 5.6325 5.8728 5.8780 6.2646 6.2695 6.4719 6.4793 7.3542 7.3784 7.4170 7.4624 7.6634 7.6783 7.6947 7.7189 7.8779 7.8995 7.9322 7.9843 8.0177 8.0234 8.5598 8.5775 8.7114 8.7399 8.7726 8.8207 9.2555 9.2994 9.4552 9.4887 9.9109 9.9677 9.9761 9.9850 10.3584 10.4099 10.6922 10.6930 11.5191 11.5214 11.7630 11.8079 13.9814 13.9835 14.3747 14.3769 14.8452 14.8464 15.5177 15.5184 k = 0.0000 0.1829-0.0000 ( 4198 PWs) bands (ev): -30.7010 -30.7010 -15.6443 -15.6443 -11.8787 -11.8766 -10.6876 -10.6797 -10.3575 -10.3547 -7.9381 -7.8921 -7.2155 -7.1937 -6.9829 -6.9096 -6.4839 -6.4751 -6.4252 -6.4225 -2.1081 -2.1020 -0.2456 -0.2364 0.0070 0.0081 5.2211 5.2332 5.3587 5.3858 5.4594 5.4600 5.6135 5.6220 5.8764 5.8821 6.2578 6.2639 6.4737 6.4824 7.3436 7.3674 7.3786 7.4213 7.6304 7.6418 7.6717 7.7007 7.8621 7.8773 7.9050 7.9482 7.9788 7.9944 8.5264 8.5429 8.7197 8.7510 8.7854 8.8336 9.2532 9.3008 9.4538 9.4896 9.9303 9.9869 10.0197 10.0289 10.3487 10.4006 10.6905 10.6920 11.5312 11.5349 11.7866 11.8325 14.0438 14.0458 14.4570 14.4596 14.9077 14.9087 15.5114 15.5121 k = 0.0000 0.1951-0.0000 ( 4196 PWs) bands (ev): -30.7005 -30.7005 -15.6400 -15.6400 -11.8807 -11.8786 -10.6922 -10.6840 -10.3647 -10.3617 -7.9179 -7.8700 -7.2226 -7.1996 -6.9784 -6.9003 -6.4928 -6.4848 -6.4308 -6.4256 -2.1042 -2.0979 -0.2431 -0.2335 0.0122 0.0134 5.2032 5.2150 5.3470 5.3756 5.4742 5.4750 5.6089 5.6158 5.8804 5.8865 6.2504 6.2577 6.4754 6.4851 7.3308 7.3433 7.3573 7.3800 7.5908 7.5997 7.6524 7.6864 7.8467 7.8522 7.8756 7.9087 7.9402 7.9689 8.4892 8.5041 8.7350 8.7631 8.8013 8.8503 9.2514 9.3026 9.4525 9.4906 9.9472 10.0024 10.0633 10.0740 10.3429 10.3947 10.6889 10.6911 11.5417 11.5463 11.8096 11.8560 14.1070 14.1089 14.5430 14.5460 14.9725 14.9732 15.5049 15.5056 k = 0.0000 0.2073-0.0000 ( 4190 PWs) bands (ev): -30.7000 -30.7000 -15.6356 -15.6356 -11.8830 -11.8808 -10.6971 -10.6888 -10.3712 -10.3679 -7.8973 -7.8478 -7.2306 -7.2067 -6.9730 -6.8908 -6.5025 -6.4958 -6.4353 -6.4272 -2.1002 -2.0937 -0.2405 -0.2305 0.0176 0.0190 5.1839 5.1953 5.3312 5.3609 5.4899 5.4911 5.6078 5.6136 5.8848 5.8913 6.2423 6.2508 6.4770 6.4878 7.2964 7.3301 7.3351 7.3513 7.5493 7.5560 7.6319 7.6714 7.8240 7.8290 7.8466 7.8691 7.9036 7.9456 8.4511 8.4647 8.7531 8.7761 8.8185 8.8696 9.2502 9.3047 9.4514 9.4919 9.9619 10.0156 10.1064 10.1189 10.3410 10.3924 10.6874 10.6903 11.5509 11.5561 11.8314 11.8779 14.1704 14.1722 14.6320 14.6356 15.0396 15.0398 15.4983 15.4990 k = 0.0000 0.2195-0.0000 ( 4190 PWs) bands (ev): -30.6995 -30.6995 -15.6312 -15.6311 -11.8855 -11.8832 -10.7023 -10.6939 -10.3769 -10.3735 -7.8764 -7.8255 -7.2393 -7.2152 -6.9668 -6.8813 -6.5129 -6.5077 -6.4389 -6.4277 -2.0961 -2.0894 -0.2377 -0.2274 0.0233 0.0248 5.1635 5.1743 5.3123 5.3423 5.5065 5.5080 5.6094 5.6145 5.8895 5.8965 6.2336 6.2433 6.4790 6.4907 7.2561 7.2929 7.3233 7.3430 7.5074 7.5119 7.6084 7.6526 7.7938 7.8004 7.8266 7.8321 7.8708 7.9241 8.4135 8.4263 8.7718 8.7905 8.8355 8.8908 9.2497 9.3072 9.4504 9.4933 9.9744 10.0267 10.1486 10.1632 10.3430 10.3935 10.6861 10.6897 11.5590 11.5644 11.8515 11.8978 14.2334 14.2350 14.7237 14.7277 15.1085 15.1088 15.4916 15.4924 k = 0.0000 0.2317-0.0000 ( 4174 PWs) bands (ev): -30.6990 -30.6990 -15.6266 -15.6266 -11.8882 -11.8859 -10.7078 -10.6993 -10.3818 -10.3783 -7.8554 -7.8033 -7.2488 -7.2248 -6.9601 -6.8721 -6.5236 -6.5201 -6.4417 -6.4274 -2.0918 -2.0850 -0.2349 -0.2243 0.0292 0.0309 5.1421 5.1523 5.2911 5.3209 5.5239 5.5258 5.6129 5.6175 5.8945 5.9019 6.2244 6.2351 6.4815 6.4938 7.2149 7.2494 7.3179 7.3361 7.4658 7.4682 7.5810 7.6276 7.7641 7.7655 7.7983 7.8096 7.8452 7.9041 8.3774 8.3894 8.7888 8.8073 8.8517 8.9135 9.2498 9.3100 9.4496 9.4952 9.9849 10.0357 10.1897 10.2067 10.3491 10.3982 10.6849 10.6893 11.5661 11.5715 11.8697 11.9157 14.2956 14.2969 14.8172 14.8218 15.1793 15.1802 15.4850 15.4858 k = 0.0000 0.2439-0.0000 ( 4182 PWs) bands (ev): -30.6985 -30.6985 -15.6220 -15.6220 -11.8911 -11.8888 -10.7136 -10.7051 -10.3860 -10.3823 -7.8344 -7.7813 -7.2588 -7.2355 -6.9529 -6.8632 -6.5341 -6.5326 -6.4439 -6.4265 -2.0875 -2.0806 -0.2319 -0.2211 0.0353 0.0371 5.1198 5.1292 5.2682 5.2973 5.5421 5.5444 5.6174 5.6218 5.8999 5.9077 6.2147 6.2262 6.4848 6.4976 7.1732 7.2053 7.3129 7.3293 7.4250 7.4251 7.5497 7.5950 7.7299 7.7369 7.7678 7.7866 7.8304 7.8859 8.3431 8.3545 8.8034 8.8268 8.8667 8.9370 9.2506 9.3130 9.4490 9.4972 9.9933 10.0426 10.2292 10.2490 10.3592 10.4061 10.6838 10.6890 11.5723 11.5777 11.8856 11.9311 14.3561 14.3572 14.9119 14.9171 15.2523 15.2538 15.4784 15.4792 k = 0.0000 0.2561-0.0000 ( 4184 PWs) bands (ev): -30.6980 -30.6980 -15.6173 -15.6173 -11.8943 -11.8919 -10.7194 -10.7110 -10.3893 -10.3856 -7.8135 -7.7596 -7.2694 -7.2470 -6.9455 -6.8551 -6.5449 -6.5441 -6.4456 -6.4252 -2.0831 -2.0761 -0.2289 -0.2179 0.0416 0.0435 5.0969 5.1055 5.2442 5.2724 5.5609 5.5639 5.6223 5.6264 5.9055 5.9138 6.2047 6.2169 6.4892 6.5022 7.1310 7.1609 7.3077 7.3214 7.3834 7.3859 7.5153 7.5561 7.6952 7.7101 7.7420 7.7592 7.8241 7.8701 8.3111 8.3215 8.8162 8.8481 8.8803 8.9610 9.2521 9.3163 9.4487 9.4996 9.9998 10.0475 10.2668 10.2902 10.3734 10.4174 10.6829 10.6890 11.5778 11.5830 11.8994 11.9441 14.4147 14.4154 15.0070 15.0127 15.3276 15.3298 15.4720 15.4728 k = 0.0000 0.2683-0.0000 ( 4180 PWs) bands (ev): -30.6975 -30.6975 -15.6127 -15.6127 -11.8976 -11.8952 -10.7253 -10.7171 -10.3918 -10.3881 -7.7928 -7.7383 -7.2804 -7.2593 -6.9381 -6.8480 -6.5567 -6.5533 -6.4469 -6.4236 -2.0787 -2.0717 -0.2258 -0.2147 0.0480 0.0500 5.0736 5.0814 5.2198 5.2467 5.5801 5.5840 5.6274 5.6310 5.9114 5.9202 6.1945 6.2071 6.4947 6.5077 7.0885 7.1162 7.3008 7.3094 7.3441 7.3506 7.4794 7.5137 7.6619 7.6811 7.7211 7.7308 7.8224 7.8571 8.2812 8.2907 8.8281 8.8701 8.8928 8.9853 9.2543 9.3197 9.4485 9.5022 10.0044 10.0504 10.3023 10.3300 10.3917 10.4318 10.6821 10.6892 11.5826 11.5875 11.9107 11.9547 14.4707 14.4710 15.1017 15.1078 15.4052 15.4079 15.4663 15.4670 k = 0.0000 0.2805-0.0000 ( 4184 PWs) bands (ev): -30.6970 -30.6970 -15.6081 -15.6081 -11.9010 -11.8987 -10.7312 -10.7232 -10.3937 -10.3901 -7.7724 -7.7176 -7.2917 -7.2721 -6.9308 -6.8421 -6.5679 -6.5614 -6.4479 -6.4218 -2.0742 -2.0673 -0.2226 -0.2115 0.0545 0.0565 5.0501 5.0569 5.1950 5.2206 5.5989 5.6047 5.6330 5.6351 5.9176 5.9269 6.1841 6.1969 6.5015 6.5144 7.0458 7.0715 7.2856 7.2875 7.3129 7.3233 7.4444 7.4706 7.6298 7.6502 7.7025 7.7029 7.8238 7.8477 8.2536 8.2618 8.8392 8.8925 8.9041 9.0097 9.2572 9.3232 9.4486 9.5051 10.0070 10.0513 10.3356 10.3682 10.4135 10.4491 10.6814 10.6897 11.5867 11.5914 11.9197 11.9627 14.5236 14.5236 15.1951 15.2016 15.4568 15.4576 15.4896 15.4927 k = 0.0000 0.2927-0.0000 ( 4184 PWs) bands (ev): -30.6965 -30.6965 -15.6035 -15.6035 -11.9047 -11.9024 -10.7370 -10.7294 -10.3948 -10.3913 -7.7524 -7.6974 -7.3032 -7.2854 -6.9240 -6.8378 -6.5781 -6.5681 -6.4487 -6.4199 -2.0698 -2.0630 -0.2194 -0.2084 0.0611 0.0631 5.0266 5.0326 5.1704 5.1945 5.6149 5.6249 5.6395 5.6411 5.9241 5.9338 6.1737 6.1865 6.5098 6.5224 7.0031 7.0268 7.2546 7.2561 7.2957 7.3013 7.4140 7.4300 7.5987 7.6186 7.6748 7.6849 7.8275 7.8422 8.2280 8.2350 8.8498 8.9142 8.9153 9.0342 9.2607 9.3267 9.4487 9.5080 10.0079 10.0502 10.3671 10.4048 10.4384 10.4691 10.6809 10.6904 11.5904 11.5946 11.9264 11.9684 14.5728 14.5731 15.2864 15.2930 15.4527 15.4533 15.5718 15.5754 k = 0.0000 0.3049-0.0000 ( 4182 PWs) bands (ev): -30.6960 -30.6960 -15.5991 -15.5990 -11.9084 -11.9061 -10.7427 -10.7354 -10.3954 -10.3921 -7.7328 -7.6779 -7.3148 -7.2989 -6.9178 -6.8350 -6.5873 -6.5732 -6.4492 -6.4180 -2.0655 -2.0588 -0.2162 -0.2053 0.0676 0.0697 5.0033 5.0084 5.1460 5.1685 5.6241 5.6361 5.6525 5.6557 5.9308 5.9410 6.1634 6.1760 6.5194 6.5317 6.9603 6.9822 7.2190 7.2219 7.2752 7.2789 7.3913 7.3955 7.5685 7.5870 7.6480 7.6661 7.8331 7.8405 8.2043 8.2100 8.8598 8.9231 8.9382 9.0586 9.2648 9.3303 9.4488 9.5111 10.0070 10.0474 10.3973 10.4394 10.4650 10.4915 10.6806 10.6916 11.5935 11.5973 11.9309 11.9718 14.6182 14.6189 15.3741 15.3803 15.4490 15.4492 15.6582 15.6619 k = 0.0000 0.3171-0.0000 ( 4182 PWs) bands (ev): -30.6955 -30.6955 -15.5947 -15.5947 -11.9121 -11.9099 -10.7482 -10.7412 -10.3955 -10.3923 -7.7137 -7.6593 -7.3263 -7.3125 -6.9123 -6.8340 -6.5952 -6.5766 -6.4495 -6.4162 -2.0612 -2.0547 -0.2130 -0.2023 0.0741 0.0762 4.9804 4.9848 5.1222 5.1431 5.6276 5.6381 5.6742 5.6755 5.9376 5.9484 6.1531 6.1654 6.5304 6.5423 6.9177 6.9379 7.1838 7.1878 7.2427 7.2546 7.3705 7.3767 7.5392 7.5560 7.6221 7.6464 7.8402 7.8421 8.1825 8.1869 8.8692 8.9309 8.9615 9.0831 9.2694 9.3338 9.4488 9.5140 10.0047 10.0430 10.4268 10.4720 10.4923 10.5159 10.6805 10.6932 11.5961 11.5994 11.9333 11.9729 14.6597 14.6607 15.4334 15.4336 15.4708 15.4766 15.7468 15.7504 k = 0.0000 0.3293-0.0000 ( 4186 PWs) bands (ev): -30.6951 -30.6951 -15.5905 -15.5905 -11.9159 -11.9138 -10.7534 -10.7468 -10.3952 -10.3922 -7.6953 -7.6414 -7.3377 -7.3261 -6.9078 -6.8348 -6.6016 -6.5785 -6.4497 -6.4145 -2.0570 -2.0507 -0.2098 -0.1994 0.0805 0.0825 4.9582 4.9618 5.0990 5.1183 5.6283 5.6378 5.6975 5.6975 5.9447 5.9559 6.1432 6.1549 6.5427 6.5543 6.8755 6.8941 7.1497 7.1547 7.2058 7.2224 7.3550 7.3679 7.5108 7.5258 7.5973 7.6259 7.8463 7.8485 8.1624 8.1656 8.8780 8.9376 8.9850 9.1076 9.2743 9.3372 9.4486 9.5168 10.0009 10.0370 10.4561 10.5027 10.5192 10.5417 10.6807 10.6953 11.5982 11.6010 11.9337 11.9720 14.6970 14.6983 15.4324 15.4330 15.5495 15.5559 15.8368 15.8401 k = 0.0000 0.3415-0.0000 ( 4186 PWs) bands (ev): -30.6946 -30.6946 -15.5864 -15.5864 -11.9197 -11.9177 -10.7583 -10.7522 -10.3945 -10.3917 -7.6776 -7.6246 -7.3488 -7.3395 -6.9042 -6.8372 -6.6065 -6.5788 -6.4496 -6.4130 -2.0529 -2.0469 -0.2066 -0.1967 0.0867 0.0887 4.9368 4.9397 5.0767 5.0943 5.6274 5.6363 5.7205 5.7215 5.9518 5.9636 6.1335 6.1446 6.5562 6.5673 6.8337 6.8508 7.1173 7.1230 7.1669 7.1856 7.3460 7.3625 7.4836 7.4967 7.5737 7.6053 7.8525 7.8576 8.1439 8.1460 8.8864 8.9433 9.0087 9.1320 9.2795 9.3405 9.4481 9.5192 9.9960 10.0297 10.4852 10.5315 10.5451 10.5681 10.6813 10.6982 11.5999 11.6023 11.9325 11.9692 14.7303 14.7318 15.4279 15.4286 15.6297 15.6359 15.9269 15.9299 k = 0.0000 0.3537-0.0000 ( 4188 PWs) bands (ev): -30.6942 -30.6942 -15.5826 -15.5825 -11.9235 -11.9215 -10.7629 -10.7572 -10.3935 -10.3909 -7.6607 -7.6087 -7.3595 -7.3525 -6.9017 -6.8410 -6.6098 -6.5780 -6.4494 -6.4117 -2.0490 -2.0433 -0.2035 -0.1940 0.0927 0.0946 4.9163 4.9186 5.0553 5.0714 5.6254 5.6337 5.7441 5.7458 5.9591 5.9713 6.1243 6.1346 6.5706 6.5815 6.7926 6.8084 7.0866 7.0927 7.1279 7.1470 7.3406 7.3589 7.4576 7.4690 7.5513 7.5847 7.8601 7.8670 8.1270 8.1281 8.8943 8.9481 9.0325 9.1565 9.2849 9.3436 9.4472 9.5212 9.9901 10.0214 10.5139 10.5586 10.5692 10.5941 10.6827 10.7022 11.6013 11.6031 11.9297 11.9648 14.7596 14.7612 15.4232 15.4239 15.7076 15.7136 16.0160 16.0184 k = 0.0000 0.3659-0.0000 ( 4184 PWs) bands (ev): -30.6938 -30.6938 -15.5789 -15.5789 -11.9271 -11.9252 -10.7671 -10.7619 -10.3923 -10.3899 -7.6446 -7.5940 -7.3697 -7.3651 -6.9002 -6.8459 -6.6115 -6.5762 -6.4489 -6.4107 -2.0453 -2.0399 -0.2005 -0.1915 0.0984 0.1003 4.8969 4.8987 5.0352 5.0497 5.6227 5.6304 5.7680 5.7704 5.9664 5.9791 6.1155 6.1251 6.5858 6.5966 6.7523 6.7669 7.0577 7.0642 7.0895 7.1086 7.3370 7.3563 7.4333 7.4430 7.5302 7.5647 7.8683 7.8764 8.1117 8.1120 8.9017 8.9521 9.0565 9.1809 9.2902 9.3465 9.4458 9.5225 9.9834 10.0122 10.5420 10.5841 10.5912 10.6184 10.6856 10.7074 11.6023 11.6035 11.9256 11.9589 14.7850 14.7868 15.4188 15.4194 15.7828 15.7888 16.1027 16.1046 k = 0.0000 0.3780-0.0000 ( 4182 PWs) bands (ev): -30.6935 -30.6935 -15.5755 -15.5755 -11.9306 -11.9288 -10.7710 -10.7663 -10.3910 -10.3888 -7.6294 -7.5805 -7.3794 -7.3770 -6.8997 -6.8516 -6.6118 -6.5739 -6.4482 -6.4100 -2.0418 -2.0367 -0.1976 -0.1892 0.1039 0.1057 4.8788 4.8802 5.0163 5.0293 5.6193 5.6265 5.7920 5.7951 5.9736 5.9869 6.1072 6.1160 6.6015 6.6124 6.7132 6.7265 7.0308 7.0375 7.0525 7.0713 7.3345 7.3540 7.4110 7.4188 7.5106 7.5453 7.8767 7.8854 8.0978 8.0980 8.9085 8.9552 9.0805 9.2050 9.2955 9.3492 9.4439 9.5231 9.9763 10.0024 10.5687 10.6079 10.6105 10.6389 10.6917 10.7144 11.6029 11.6037 11.9206 11.9519 14.8068 14.8086 15.4146 15.4152 15.8550 15.8611 16.1850 16.1865 k = 0.0000 0.3902-0.0000 ( 4180 PWs) bands (ev): -30.6931 -30.6931 -15.5723 -15.5723 -11.9339 -11.9323 -10.7745 -10.7702 -10.3896 -10.3876 -7.6151 -7.5683 -7.3884 -7.3883 -6.8999 -6.8579 -6.6107 -6.5714 -6.4472 -6.4097 -2.0385 -2.0339 -0.1949 -0.1871 0.1090 0.1106 4.8620 4.8630 4.9988 5.0103 5.6156 5.6222 5.8157 5.8196 5.9809 5.9946 6.0996 6.1076 6.6174 6.6287 6.6757 6.6876 7.0058 7.0122 7.0177 7.0358 7.3324 7.3512 7.3915 7.3968 7.4925 7.5270 7.8849 7.8936 8.0855 8.0861 8.9150 8.9576 9.1045 9.2288 9.3004 9.3515 9.4414 9.5227 9.9689 9.9922 10.5935 10.6274 10.6298 10.6528 10.7032 10.7233 11.6032 11.6035 11.9149 11.9439 14.8252 14.8271 15.4108 15.4113 15.9238 15.9304 16.2600 16.2612 k = 0.0000 0.4024-0.0000 ( 4172 PWs) bands (ev): -30.6928 -30.6928 -15.5694 -15.5694 -11.9369 -11.9355 -10.7776 -10.7738 -10.3881 -10.3864 -7.6019 -7.5575 -7.3985 -7.3967 -6.9007 -6.8644 -6.6084 -6.5691 -6.4459 -6.4098 -2.0355 -2.0313 -0.1923 -0.1852 0.1137 0.1152 4.8468 4.8475 4.9828 4.9930 5.6118 5.6177 5.8388 5.8435 5.9881 6.0022 6.0926 6.0998 6.6282 6.6437 6.6453 6.6521 6.9825 6.9825 6.9911 7.0025 7.3303 7.3462 7.3765 7.3776 7.4760 7.5098 7.8923 7.9007 8.0752 8.0761 8.9209 8.9593 9.1282 9.2519 9.3050 9.3536 9.4385 9.5213 9.9616 9.9820 10.6148 10.6425 10.6497 10.6601 10.7201 10.7342 11.6032 11.6033 11.9089 11.9354 14.8406 14.8424 15.4072 15.4077 15.9888 15.9963 16.3179 16.3202 k = 0.0000 0.4146-0.0000 ( 4172 PWs) bands (ev): -30.6925 -30.6925 -15.5668 -15.5668 -11.9397 -11.9384 -10.7803 -10.7769 -10.3867 -10.3852 -7.5896 -7.5483 -7.4078 -7.4042 -6.9018 -6.8709 -6.6053 -6.5671 -6.4442 -6.4103 -2.0327 -2.0289 -0.1899 -0.1836 0.1179 0.1193 4.8331 4.8336 4.9686 4.9773 5.6079 5.6132 5.8611 5.8665 5.9953 6.0097 6.0863 6.0928 6.6021 6.6142 6.6540 6.6633 6.9511 6.9596 6.9704 6.9732 7.3271 7.3371 7.3621 7.3680 7.4612 7.4939 7.8988 7.9065 8.0671 8.0679 8.9265 8.9604 9.1516 9.2739 9.3091 9.3553 9.4352 9.5186 9.9544 9.9721 10.6311 10.6574 10.6629 10.6680 10.7389 10.7467 11.6026 11.6031 11.9028 11.9266 14.8533 14.8550 15.4041 15.4045 16.0493 16.0581 16.3356 16.3430 k = 0.0000 0.4268-0.0000 ( 4176 PWs) bands (ev): -30.6923 -30.6923 -15.5646 -15.5646 -11.9422 -11.9411 -10.7826 -10.7797 -10.3853 -10.3841 -7.5784 -7.5407 -7.4158 -7.4109 -6.9030 -6.8771 -6.6014 -6.5658 -6.4422 -6.4113 -2.0302 -2.0270 -0.1877 -0.1822 0.1217 0.1229 4.8211 4.8213 4.9560 4.9635 5.6043 5.6089 5.8820 5.8881 6.0025 6.0169 6.0809 6.0865 6.5707 6.5812 6.6706 6.6806 6.9214 6.9341 6.9508 6.9523 7.3213 7.3253 7.3519 7.3643 7.4484 7.4793 7.9040 7.9108 8.0609 8.0617 8.9316 8.9609 9.1744 9.2941 9.3126 9.3566 9.4322 9.5145 9.9477 9.9626 10.6418 10.6647 10.6729 10.6832 10.7574 10.7600 11.6019 11.6027 11.8969 11.9178 14.8635 14.8650 15.4014 15.4017 16.1041 16.1151 16.3239 16.3359 k = 0.0000 0.4390-0.0000 ( 4184 PWs) bands (ev): -30.6921 -30.6921 -15.5626 -15.5626 -11.9444 -11.9434 -10.7845 -10.7821 -10.3841 -10.3831 -7.5683 -7.5350 -7.4225 -7.4167 -6.9041 -6.8830 -6.5970 -6.5652 -6.4398 -6.4126 -2.0280 -2.0253 -0.1857 -0.1811 0.1250 0.1260 4.8107 4.8109 4.9453 4.9515 5.6010 5.6049 5.9010 5.9075 6.0098 6.0237 6.0762 6.0811 6.5418 6.5510 6.6877 6.6983 6.8936 6.9073 6.9343 6.9367 7.3129 7.3136 7.3472 7.3627 7.4377 7.4660 7.9079 7.9136 8.0566 8.0571 8.9363 8.9609 9.1964 9.3087 9.3184 9.3576 9.4299 9.5089 9.9417 9.9539 10.6488 10.6654 10.6876 10.6962 10.7732 10.7741 11.6012 11.6022 11.8915 11.9093 14.8716 14.8730 15.3990 15.3993 16.1522 16.1665 16.3066 16.3227 k = 0.0000 0.4512-0.0000 ( 4180 PWs) bands (ev): -30.6919 -30.6919 -15.5610 -15.5610 -11.9461 -11.9454 -10.7860 -10.7841 -10.3830 -10.3822 -7.5592 -7.5311 -7.4276 -7.4217 -6.9050 -6.8884 -6.5923 -6.5654 -6.4371 -6.4144 -2.0262 -2.0240 -0.1840 -0.1803 0.1278 0.1286 4.8022 4.8023 4.9366 4.9415 5.5983 5.6013 5.9176 5.9241 6.0172 6.0299 6.0724 6.0766 6.5165 6.5243 6.7052 6.7161 6.8676 6.8815 6.9213 6.9237 7.3034 7.3039 7.3460 7.3616 7.4295 7.4543 7.9107 7.9152 8.0539 8.0542 8.9406 8.9603 9.2175 9.3117 9.3311 9.3582 9.4297 9.5018 9.9367 9.9462 10.6535 10.6656 10.7003 10.7069 10.7857 10.7884 11.6006 11.6015 11.8872 11.9016 14.8779 14.8790 15.3971 15.3974 16.1916 16.2112 16.2903 16.3118 k = 0.0000 0.4634-0.0000 ( 4182 PWs) bands (ev): -30.6918 -30.6918 -15.5597 -15.5597 -11.9475 -11.9470 -10.7871 -10.7857 -10.3821 -10.3815 -7.5513 -7.5291 -7.4312 -7.4260 -6.9054 -6.8931 -6.5876 -6.5665 -6.4341 -6.4165 -2.0247 -2.0230 -0.1825 -0.1797 0.1300 0.1306 4.7956 4.7956 4.9299 4.9335 5.5961 5.5984 5.9313 5.9370 6.0246 6.0351 6.0695 6.0730 6.4957 6.5019 6.7229 6.7343 6.8433 6.8570 6.9114 6.9134 7.2952 7.2960 7.3467 7.3603 7.4239 7.4441 7.9126 7.9159 8.0522 8.0524 8.9445 8.9594 9.2374 9.3101 9.3424 9.3584 9.4327 9.4932 9.9328 9.9397 10.6569 10.6654 10.7105 10.7152 10.7965 10.7998 11.6000 11.6009 11.8838 11.8948 14.8826 14.8834 15.3956 15.3958 16.2202 16.2475 16.2771 16.3062 k = 0.0000 0.4756-0.0000 ( 4178 PWs) bands (ev): -30.6917 -30.6917 -15.5588 -15.5588 -11.9485 -11.9481 -10.7878 -10.7869 -10.3815 -10.3811 -7.5443 -7.5291 -7.4333 -7.4293 -6.9052 -6.8971 -6.5830 -6.5685 -6.4310 -6.4190 -2.0235 -2.0224 -0.1813 -0.1794 0.1316 0.1320 4.7908 4.7908 4.9252 4.9276 5.5946 5.5961 5.9417 5.9460 6.0315 6.0390 6.0676 6.0702 6.4802 6.4846 6.7410 6.7528 6.8206 6.8340 6.9045 6.9059 7.2893 7.2900 7.3484 7.3585 7.4212 7.4356 7.9138 7.9159 8.0514 8.0514 8.9480 8.9579 9.2556 9.3052 9.3498 9.3583 9.4394 9.4832 9.9301 9.9347 10.6595 10.6648 10.7179 10.7209 10.8051 10.8078 11.5997 11.6003 11.8819 11.8893 14.8858 14.8864 15.3946 15.3947 16.2369 16.2622 16.2799 16.3065 k = 0.0000 0.4878-0.0000 ( 4178 PWs) bands (ev): -30.6916 -30.6916 -15.5583 -15.5582 -11.9491 -11.9489 -10.7882 -10.7877 -10.3810 -10.3808 -7.5386 -7.5308 -7.4340 -7.4318 -6.9043 -6.9003 -6.5786 -6.5712 -6.4278 -6.4217 -2.0227 -2.0221 -0.1804 -0.1795 0.1326 0.1328 4.7879 4.7879 4.9226 4.9238 5.5938 5.5946 5.9485 5.9508 6.0370 6.0408 6.0668 6.0682 6.4710 6.4733 6.7596 6.7717 6.7993 6.8123 6.9005 6.9012 7.2858 7.2862 7.3507 7.3561 7.4213 7.4288 7.9146 7.9156 8.0510 8.0510 8.9511 8.9561 9.2720 9.2972 9.3541 9.3577 9.4491 9.4721 9.9289 9.9312 10.6614 10.6640 10.7227 10.7241 10.8108 10.8124 11.5995 11.5998 11.8814 11.8851 14.8878 14.8881 15.3940 15.3940 16.2449 16.2556 16.2976 16.3089 k = 0.0000 0.5000-0.0000 ( 4172 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9492 -11.9492 -10.7881 -10.7881 -10.3808 -10.3808 -7.5340 -7.5340 -7.4334 -7.4334 -6.9027 -6.9027 -6.5746 -6.5746 -6.4247 -6.4247 -2.0222 -2.0222 -0.1798 -0.1798 0.1330 0.1330 4.7869 4.7869 4.9222 4.9222 5.5938 5.5938 5.9516 5.9516 6.0402 6.0402 6.0670 6.0670 6.4687 6.4687 6.7787 6.7787 6.7919 6.7919 6.8994 6.8994 7.2848 7.2848 7.3534 7.3534 7.4239 7.4239 7.9152 7.9152 8.0509 8.0509 8.9538 8.9538 9.2860 9.2860 9.3564 9.3564 9.4605 9.4605 9.9293 9.9293 10.6629 10.6629 10.7247 10.7247 10.8134 10.8134 11.5995 11.5995 11.8825 11.8825 14.8885 14.8885 15.3938 15.3938 16.2500 16.2500 16.3072 16.3072 k = 0.0000 0.5000-0.0000 ( 4172 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9492 -11.9492 -10.7881 -10.7881 -10.3808 -10.3808 -7.5340 -7.5340 -7.4334 -7.4334 -6.9027 -6.9027 -6.5746 -6.5746 -6.4247 -6.4247 -2.0222 -2.0222 -0.1798 -0.1798 0.1330 0.1330 4.7869 4.7869 4.9222 4.9222 5.5938 5.5938 5.9516 5.9516 6.0402 6.0402 6.0670 6.0670 6.4687 6.4687 6.7787 6.7787 6.7919 6.7919 6.8994 6.8994 7.2848 7.2848 7.3534 7.3534 7.4239 7.4239 7.9152 7.9152 8.0509 8.0509 8.9538 8.9538 9.2860 9.2860 9.3564 9.3564 9.4605 9.4605 9.9293 9.9293 10.6629 10.6629 10.7247 10.7247 10.8134 10.8134 11.5995 11.5995 11.8825 11.8825 14.8885 14.8885 15.3938 15.3938 16.2500 16.2500 16.3072 16.3072 k = 0.0122 0.5000-0.0000 ( 4176 PWs) bands (ev): -30.6916 -30.6916 -15.5579 -15.5579 -11.9493 -11.9491 -10.7880 -10.7880 -10.3817 -10.3814 -7.5339 -7.5334 -7.4344 -7.4305 -6.9024 -6.9022 -6.5772 -6.5725 -6.4249 -6.4243 -2.0237 -2.0222 -0.1810 -0.1800 0.1308 0.1316 4.7855 4.7856 4.9213 4.9217 5.5952 5.5959 5.9483 5.9500 6.0397 6.0399 6.0657 6.0677 6.4619 6.4695 6.7505 6.7522 6.7881 6.7919 6.9284 6.9294 7.2846 7.2885 7.3552 7.3563 7.4233 7.4239 7.9159 7.9181 8.0530 8.0535 8.9390 8.9587 9.2847 9.2876 9.3539 9.3584 9.4587 9.4621 9.9304 9.9432 10.6539 10.6667 10.7222 10.7272 10.8117 10.8149 11.5980 11.6059 11.8848 11.8868 14.8895 14.8897 15.3904 15.3909 16.2497 16.2498 16.3088 16.3098 k = 0.0244 0.5000-0.0000 ( 4180 PWs) bands (ev): -30.6915 -30.6915 -15.5576 -15.5575 -11.9496 -11.9492 -10.7876 -10.7876 -10.3841 -10.3835 -7.5332 -7.5321 -7.4335 -7.4256 -6.9012 -6.9007 -6.5802 -6.5708 -6.4250 -6.4237 -2.0267 -2.0236 -0.1837 -0.1817 0.1250 0.1265 4.7812 4.7815 4.9191 4.9199 5.6001 5.6016 5.9402 5.9435 6.0383 6.0388 6.0637 6.0675 6.4497 6.4643 6.6940 6.6949 6.7913 6.7941 6.9829 6.9854 7.2883 7.2955 7.3610 7.3635 7.4223 7.4234 7.9203 7.9246 8.0597 8.0608 8.9154 8.9537 9.2838 9.2897 9.3509 9.3598 9.4568 9.4636 9.9467 9.9711 10.6403 10.6650 10.7197 10.7295 10.8098 10.8163 11.6012 11.6161 11.8938 11.8980 14.8927 14.8930 15.3808 15.3819 16.2486 16.2488 16.3151 16.3167 k = 0.0366 0.5000-0.0000 ( 4184 PWs) bands (ev): -30.6914 -30.6914 -15.5569 -15.5569 -11.9499 -11.9493 -10.7869 -10.7869 -10.3879 -10.3870 -7.5318 -7.5302 -7.4307 -7.4188 -6.8991 -6.8984 -6.5837 -6.5695 -6.4248 -6.4229 -2.0311 -2.0265 -0.1878 -0.1847 0.1155 0.1179 4.7742 4.7746 4.9156 4.9168 5.6085 5.6108 5.9279 5.9325 6.0361 6.0369 6.0608 6.0662 6.4327 6.4537 6.6298 6.6325 6.7962 6.7989 7.0420 7.0462 7.2961 7.3055 7.3697 7.3741 7.4216 7.4231 7.9282 7.9346 8.0710 8.0726 8.8852 8.9400 9.2828 9.2919 9.3476 9.3607 9.4548 9.4649 9.9770 10.0109 10.6229 10.6582 10.7177 10.7318 10.8080 10.8178 11.6080 11.6284 11.9101 11.9171 14.8980 14.8985 15.3654 15.3670 16.2461 16.2461 16.3266 16.3286 k = 0.0488 0.5000-0.0000 ( 4186 PWs) bands (ev): -30.6913 -30.6913 -15.5560 -15.5560 -11.9504 -11.9496 -10.7859 -10.7859 -10.3931 -10.3919 -7.5297 -7.5276 -7.4262 -7.4102 -6.8962 -6.8952 -6.5875 -6.5687 -6.4245 -6.4219 -2.0369 -2.0309 -0.1932 -0.1892 0.1027 0.1058 4.7642 4.7648 4.9109 4.9124 5.6202 5.6234 5.9120 5.9176 6.0329 6.0340 6.0567 6.0634 6.4121 6.4386 6.5640 6.5683 6.8026 6.8052 7.1017 7.1076 7.3081 7.3182 7.3785 7.3855 7.4232 7.4248 7.9396 7.9481 8.0868 8.0890 8.8503 8.9195 9.2815 9.2942 9.3444 9.3613 9.4528 9.4662 10.0194 10.0603 10.6030 10.6474 10.7160 10.7340 10.8063 10.8195 11.6165 11.6408 11.9344 11.9447 14.9054 14.9061 15.3448 15.3468 16.2414 16.2416 16.3436 16.3459 k = 0.0610 0.5000-0.0000 ( 4190 PWs) bands (ev): -30.6911 -30.6911 -15.5549 -15.5549 -11.9509 -11.9499 -10.7847 -10.7847 -10.3995 -10.3982 -7.5270 -7.5244 -7.4200 -7.3999 -6.8924 -6.8912 -6.5917 -6.5682 -6.4239 -6.4208 -2.0441 -2.0366 -0.1999 -0.1950 0.0864 0.0903 4.7513 4.7520 4.9048 4.9066 5.6349 5.6392 5.8931 5.8994 6.0286 6.0301 6.0510 6.0586 6.3891 6.4200 6.4980 6.5041 6.8099 6.8125 7.1606 7.1685 7.3239 7.3330 7.3839 7.3934 7.4299 7.4322 7.9544 7.9650 8.1069 8.1096 8.8131 8.8945 9.2797 9.2963 9.3412 9.3615 9.4507 9.4673 10.0714 10.1170 10.5818 10.6340 10.7148 10.7364 10.8049 10.8216 11.6248 11.6515 11.9672 11.9812 14.9148 14.9157 15.3195 15.3219 16.2343 16.2349 16.3663 16.3686 k = 0.0732 0.5000-0.0000 ( 4194 PWs) bands (ev): -30.6909 -30.6909 -15.5535 -15.5535 -11.9515 -11.9504 -10.7834 -10.7834 -10.4072 -10.4056 -7.5235 -7.5206 -7.4123 -7.3881 -6.8878 -6.8862 -6.5963 -6.5681 -6.4231 -6.4194 -2.0527 -2.0438 -0.2078 -0.2020 0.0670 0.0717 4.7353 4.7360 4.8975 4.8995 5.6524 5.6578 5.8720 5.8788 6.0228 6.0247 6.0433 6.0513 6.3646 6.3992 6.4329 6.4414 6.8177 6.8202 7.2180 7.2283 7.3429 7.3482 7.3850 7.3970 7.4426 7.4469 7.9726 7.9851 8.1312 8.1344 8.7752 8.8671 9.2774 9.2981 9.3382 9.3616 9.4486 9.4683 10.1304 10.1785 10.5612 10.6201 10.7139 10.7389 10.8040 10.8242 11.6317 11.6596 12.0084 12.0262 14.9261 14.9271 15.2902 15.2930 16.2250 16.2258 16.3945 16.3967 k = 0.0854 0.5000-0.0000 ( 4194 PWs) bands (ev): -30.6907 -30.6907 -15.5519 -15.5519 -11.9523 -11.9509 -10.7818 -10.7818 -10.4159 -10.4141 -7.5194 -7.5161 -7.4033 -7.3749 -6.8824 -6.8805 -6.6011 -6.5683 -6.4221 -6.4178 -2.0626 -2.0524 -0.2168 -0.2103 0.0446 0.0500 4.7162 4.7170 4.8889 4.8911 5.6721 5.6791 5.8493 5.8565 6.0151 6.0173 6.0331 6.0412 6.3385 6.3695 6.3777 6.3824 6.8256 6.8281 7.2725 7.2862 7.3599 7.3611 7.3879 7.4027 7.4589 7.4659 7.9939 8.0083 8.1593 8.1630 8.7385 8.8394 9.2744 9.2996 9.3353 9.3615 9.4465 9.4692 10.1935 10.2421 10.5434 10.6084 10.7132 10.7416 10.8034 10.8273 11.6363 11.6649 12.0576 12.0788 14.9392 14.9404 15.2576 15.2607 16.2134 16.2143 16.4281 16.4302 k = 0.0976 0.5000-0.0000 ( 4198 PWs) bands (ev): -30.6904 -30.6904 -15.5500 -15.5500 -11.9532 -11.9516 -10.7802 -10.7802 -10.4255 -10.4235 -7.5145 -7.5111 -7.3931 -7.3605 -6.8762 -6.8739 -6.6061 -6.5688 -6.4208 -6.4159 -2.0738 -2.0624 -0.2268 -0.2197 0.0194 0.0256 4.6940 4.6948 4.8790 4.8813 5.6935 5.7024 5.8257 5.8330 6.0048 6.0072 6.0202 6.0278 6.3048 6.3096 6.3361 6.3564 6.8332 6.8356 7.3184 7.3358 7.3695 7.3726 7.4051 7.4161 7.4768 7.4872 8.0184 8.0345 8.1909 8.1951 8.7042 8.8130 9.2708 9.3005 9.3326 9.3612 9.4445 9.4699 10.2566 10.3042 10.5316 10.6023 10.7128 10.7446 10.8032 10.8307 11.6386 11.6675 12.1136 12.1378 14.9539 14.9553 15.2223 15.2256 16.1997 16.2007 16.4668 16.4689 k = 0.1098 0.5000-0.0000 ( 4198 PWs) bands (ev): -30.6901 -30.6901 -15.5480 -15.5480 -11.9542 -11.9524 -10.7785 -10.7785 -10.4359 -10.4337 -7.5091 -7.5054 -7.3820 -7.3452 -6.8692 -6.8665 -6.6111 -6.5694 -6.4193 -6.4139 -2.0862 -2.0736 -0.2378 -0.2301 -0.0083 -0.0013 4.6686 4.6694 4.8677 4.8700 5.7153 5.7268 5.8018 5.8090 5.9914 5.9935 6.0042 6.0109 6.2547 6.2585 6.3099 6.3367 6.8401 6.8426 7.3358 7.3464 7.4004 7.4099 7.4329 7.4341 7.4956 7.5108 8.0458 8.0634 8.2258 8.2304 8.6736 8.7892 9.2666 9.3010 9.3300 9.3608 9.4424 9.4705 10.3129 10.3586 10.5323 10.6079 10.7127 10.7478 10.8034 10.8345 11.6387 11.6679 12.1753 12.2018 14.9701 14.9716 15.1849 15.1884 16.1840 16.1849 16.5105 16.5125 k = 0.1220 0.5000-0.0000 ( 4198 PWs) bands (ev): -30.6898 -30.6898 -15.5457 -15.5457 -11.9553 -11.9534 -10.7768 -10.7768 -10.4467 -10.4445 -7.5030 -7.4991 -7.3703 -7.3291 -6.8615 -6.8584 -6.6162 -6.5701 -6.4175 -6.4117 -2.0999 -2.0862 -0.2495 -0.2415 -0.0384 -0.0304 4.6400 4.6409 4.8549 4.8572 5.7350 5.7506 5.7789 5.7852 5.9742 5.9751 5.9853 5.9909 6.2072 6.2136 6.2925 6.3192 6.8462 6.8487 7.3311 7.3390 7.4413 7.4489 7.4646 7.4661 7.5175 7.5377 8.0760 8.0950 8.2634 8.2683 8.6476 8.7690 9.2619 9.3010 9.3275 9.3602 9.4405 9.4710 10.3521 10.3980 10.5551 10.6324 10.7131 10.7513 10.8042 10.8388 11.6368 11.6664 12.2415 12.2697 14.9876 14.9892 15.1459 15.1496 16.1663 16.1672 16.5591 16.5608 k = 0.1341 0.5000-0.0000 ( 4190 PWs) bands (ev): -30.6894 -30.6894 -15.5433 -15.5432 -11.9565 -11.9545 -10.7753 -10.7752 -10.4580 -10.4556 -7.4964 -7.4923 -7.3580 -7.3127 -6.8531 -6.8495 -6.6210 -6.5707 -6.4154 -6.4092 -2.1146 -2.0999 -0.2620 -0.2537 -0.0704 -0.0615 4.6085 4.6094 4.8407 4.8429 5.7429 5.7595 5.7638 5.7728 5.9530 5.9531 5.9646 5.9702 6.1688 6.1762 6.2796 6.3045 6.8513 6.8539 7.3204 7.3278 7.4619 7.4711 7.5022 7.5205 7.5479 7.5689 8.1090 8.1290 8.3035 8.3087 8.6270 8.7534 9.2565 9.3005 9.3251 9.3595 9.4387 9.4714 10.3697 10.4192 10.6041 10.6785 10.7141 10.7552 10.8055 10.8434 11.6333 11.6634 12.3112 12.3405 15.0060 15.0078 15.1059 15.1097 16.1468 16.1476 16.6122 16.6137 k = 0.1463 0.5000-0.0000 ( 4178 PWs) bands (ev): -30.6890 -30.6890 -15.5406 -15.5406 -11.9579 -11.9557 -10.7739 -10.7739 -10.4693 -10.4668 -7.4892 -7.4850 -7.3454 -7.2961 -6.8441 -6.8399 -6.6254 -6.5713 -6.4131 -6.4066 -2.1304 -2.1148 -0.2749 -0.2668 -0.1043 -0.0942 4.5741 4.5750 4.8247 4.8268 5.7261 5.7376 5.7632 5.7801 5.9279 5.9315 5.9456 5.9554 6.1400 6.1474 6.2702 6.2927 6.8552 6.8579 7.3074 7.3147 7.4687 7.4848 7.5439 7.5751 7.5890 7.6045 8.1444 8.1653 8.3455 8.3509 8.6123 8.7426 9.2507 9.2995 9.3228 9.3587 9.4369 9.4717 10.3738 10.4276 10.6710 10.7134 10.7430 10.7595 10.8073 10.8484 11.6284 11.6590 12.3835 12.4135 15.0242 15.0263 15.0663 15.0701 16.1256 16.1263 16.6695 16.6706 k = 0.1585 0.5000-0.0000 ( 4182 PWs) bands (ev): -30.6886 -30.6886 -15.5378 -15.5378 -11.9594 -11.9571 -10.7729 -10.7729 -10.4805 -10.4780 -7.4815 -7.4772 -7.3329 -7.2796 -6.8344 -6.8296 -6.6293 -6.5715 -6.4107 -6.4038 -2.1472 -2.1307 -0.2884 -0.2807 -0.1396 -0.1282 4.5370 4.5380 4.8071 4.8090 5.7044 5.7158 5.7505 5.7661 5.9001 5.9092 5.9421 5.9542 6.1191 6.1263 6.2638 6.2836 6.8580 6.8608 7.2930 7.3002 7.4695 7.4883 7.5869 7.6293 7.6364 7.6438 8.1822 8.2036 8.3890 8.3946 8.6037 8.7369 9.2444 9.2981 9.3206 9.3577 9.4354 9.4721 10.3726 10.4300 10.7155 10.7460 10.7644 10.8101 10.8143 10.8537 11.6222 11.6535 12.4575 12.4878 15.0185 15.0222 15.0509 15.0532 16.1028 16.1034 16.7306 16.7310 k = 0.1707 0.5000-0.0000 ( 4188 PWs) bands (ev): -30.6882 -30.6882 -15.5349 -15.5349 -11.9611 -11.9587 -10.7723 -10.7723 -10.4915 -10.4889 -7.4734 -7.4690 -7.3206 -7.2637 -6.8242 -6.8186 -6.6325 -6.5714 -6.4080 -6.4009 -2.1648 -2.1477 -0.3022 -0.2954 -0.1760 -0.1629 4.4975 4.4986 4.7876 4.7894 5.6816 5.6948 5.7214 5.7305 5.8714 5.8836 5.9593 5.9679 6.1041 6.1113 6.2597 6.2769 6.8595 6.8625 7.2774 7.2846 7.4648 7.4847 7.6309 7.6827 7.6863 7.6864 8.2221 8.2439 8.4337 8.4394 8.6013 8.7363 9.2378 9.2963 9.3184 9.3565 9.4341 9.4724 10.3706 10.4308 10.7176 10.7686 10.8087 10.8307 10.8592 10.8907 11.6151 11.6471 12.5327 12.5629 14.9789 14.9828 15.0697 15.0719 16.0785 16.0791 16.7939 16.7943 k = 0.1829 0.5000-0.0000 ( 4190 PWs) bands (ev): -30.6877 -30.6877 -15.5319 -15.5318 -11.9629 -11.9604 -10.7723 -10.7722 -10.5018 -10.4992 -7.4649 -7.4604 -7.3087 -7.2485 -6.8134 -6.8071 -6.6346 -6.5707 -6.4052 -6.3979 -2.1833 -2.1655 -0.3164 -0.3112 -0.2133 -0.1979 4.4559 4.4570 4.7664 4.7679 5.6537 5.6730 5.6846 5.6863 5.8429 5.8570 5.9878 5.9916 6.0930 6.1009 6.2576 6.2724 6.8597 6.8629 7.2610 7.2682 7.4552 7.4754 7.6761 7.7306 7.7361 7.7374 8.2638 8.2857 8.4792 8.4850 8.6050 8.7405 9.2310 9.2941 9.3162 9.3552 9.4330 9.4728 10.3699 10.4320 10.7200 10.7738 10.8146 10.8653 10.9094 10.9687 11.6073 11.6400 12.6085 12.6383 14.9374 14.9414 15.0907 15.0931 16.0530 16.0534 16.8560 16.8576 k = 0.1951 0.5000-0.0000 ( 4186 PWs) bands (ev): -30.6873 -30.6873 -15.5287 -15.5287 -11.9649 -11.9623 -10.7730 -10.7729 -10.5114 -10.5088 -7.4560 -7.4515 -7.2975 -7.2345 -6.8022 -6.7951 -6.6355 -6.5694 -6.4023 -6.3948 -2.2025 -2.1842 -0.3310 -0.3285 -0.2510 -0.2323 4.4125 4.4137 4.7433 4.7446 5.6121 5.6264 5.6592 5.6595 5.8150 5.8304 6.0191 6.0211 6.0851 6.0954 6.2570 6.2697 6.8587 6.8623 7.2439 7.2511 7.4412 7.4613 7.7223 7.7771 7.7885 7.7887 8.3073 8.3289 8.5251 8.5311 8.6141 8.7491 9.2244 9.2918 9.3140 9.3539 9.4322 9.4734 10.3712 10.4349 10.7230 10.7792 10.8190 10.8716 10.9904 11.0468 11.5991 11.6325 12.6842 12.7135 14.8959 14.8999 15.1122 15.1147 16.0263 16.0266 16.8974 16.8998 k = 0.2073 0.5000-0.0000 ( 4186 PWs) bands (ev): -30.6868 -30.6868 -15.5254 -15.5254 -11.9670 -11.9643 -10.7744 -10.7744 -10.5200 -10.5174 -7.4468 -7.4422 -7.2872 -7.2218 -6.7906 -6.7825 -6.6351 -6.5673 -6.3993 -6.3917 -2.2222 -2.2036 -0.3481 -0.3464 -0.2883 -0.2650 4.3676 4.3689 4.7185 4.7195 5.5609 5.5703 5.6403 5.6422 5.7883 5.8045 6.0431 6.0529 6.0832 6.0987 6.2577 6.2685 6.8566 6.8605 7.2263 7.2333 7.4235 7.4431 7.7692 7.8248 7.8398 7.8403 8.3520 8.3732 8.5710 8.5772 8.6282 8.7613 9.2182 9.2894 9.3118 9.3525 9.4318 9.4741 10.3748 10.4397 10.7265 10.7845 10.8240 10.8783 11.0705 11.1238 11.5910 11.6247 12.7597 12.7881 14.8546 14.8586 15.1338 15.1363 15.9986 15.9988 16.8592 16.8721 k = 0.2195 0.5000-0.0000 ( 4178 PWs) bands (ev): -30.6863 -30.6863 -15.5221 -15.5220 -11.9693 -11.9665 -10.7768 -10.7768 -10.5274 -10.5249 -7.4374 -7.4328 -7.2778 -7.2108 -6.7786 -6.7695 -6.6330 -6.5643 -6.3962 -6.3886 -2.2424 -2.2235 -0.3712 -0.3640 -0.3235 -0.2944 4.3216 4.3230 4.6921 4.6928 5.5066 5.5131 5.6245 5.6271 5.7631 5.7798 6.0536 6.0627 6.1058 6.1186 6.2595 6.2688 6.8534 6.8576 7.2082 7.2151 7.4026 7.4216 7.8166 7.8733 7.8905 7.8914 8.3978 8.4183 8.6160 8.6232 8.6473 8.7766 9.2126 9.2870 9.3095 9.3512 9.4316 9.4751 10.3810 10.4468 10.7304 10.7899 10.8298 10.8852 11.1485 11.1982 11.5837 11.6174 12.8344 12.8619 14.8138 14.8178 15.1551 15.1577 15.9700 15.9702 16.7924 16.8061 k = 0.2317 0.5000-0.0000 ( 4178 PWs) bands (ev): -30.6858 -30.6858 -15.5187 -15.5186 -11.9717 -11.9688 -10.7801 -10.7801 -10.5335 -10.5311 -7.4278 -7.4231 -7.2697 -7.2016 -6.7662 -6.7562 -6.6293 -6.5604 -6.3932 -6.3855 -2.2630 -2.2440 -0.3986 -0.3877 -0.3523 -0.3195 4.2749 4.2763 4.6641 4.6645 5.4515 5.4560 5.6105 5.6133 5.7397 5.7565 6.0538 6.0594 6.1429 6.1507 6.2622 6.2702 6.8491 6.8537 7.1899 7.1966 7.3793 7.3973 7.8641 7.9223 7.9406 7.9418 8.4444 8.4638 8.6564 8.6687 8.6741 8.7941 9.2081 9.2848 9.3071 9.3499 9.4318 9.4763 10.3896 10.4562 10.7348 10.7951 10.8365 10.8924 11.2229 11.2681 11.5787 11.6114 12.9079 12.9344 14.7737 14.7777 15.1760 15.1787 15.9406 15.9408 16.7177 16.7303 k = 0.2439 0.5000-0.0000 ( 4184 PWs) bands (ev): -30.6853 -30.6853 -15.5152 -15.5152 -11.9742 -11.9713 -10.7844 -10.7844 -10.5382 -10.5359 -7.4181 -7.4133 -7.2627 -7.1945 -6.7534 -6.7426 -6.6239 -6.5555 -6.3902 -6.3825 -2.2839 -2.2648 -0.4298 -0.4199 -0.3722 -0.3403 4.2277 4.2292 4.6347 4.6348 5.3965 5.3996 5.5982 5.6010 5.7182 5.7349 6.0508 6.0547 6.1819 6.1870 6.2656 6.2729 6.8439 6.8489 7.1714 7.1778 7.3540 7.3711 7.9114 7.9712 7.9900 7.9913 8.4913 8.5095 8.6860 8.7136 8.7139 8.8131 9.2051 9.2829 9.3047 9.3489 9.4322 9.4777 10.4006 10.4678 10.7396 10.8001 10.8441 10.8999 11.2917 11.3302 11.5788 11.6083 12.9800 13.0053 14.7344 14.7383 15.1963 15.1991 15.9107 15.9108 16.6385 16.6498 k = 0.2561 0.5000-0.0000 ( 4192 PWs) bands (ev): -30.6848 -30.6848 -15.5118 -15.5118 -11.9768 -11.9740 -10.7897 -10.7897 -10.5416 -10.5393 -7.4084 -7.4034 -7.2571 -7.1894 -6.7403 -6.7286 -6.6169 -6.5497 -6.3873 -6.3797 -2.3048 -2.2859 -0.4635 -0.4559 -0.3874 -0.3579 4.1805 4.1820 4.6041 4.6042 5.3424 5.3443 5.5872 5.5899 5.6986 5.7151 6.0468 6.0499 6.2201 6.2243 6.2701 6.2776 6.8379 6.8433 7.1529 7.1590 7.3274 7.3434 7.9583 8.0199 8.0384 8.0399 8.5381 8.5548 8.7129 8.7575 8.7577 8.8328 9.2039 9.2815 9.3023 9.3482 9.4330 9.4794 10.4139 10.4814 10.7447 10.8048 10.8525 10.9075 11.3515 11.3790 11.5894 11.6111 13.0503 13.0744 14.6960 14.6998 15.2159 15.2186 15.8804 15.8805 16.5566 16.5665 k = 0.2683 0.5000-0.0000 ( 4192 PWs) bands (ev): -30.6843 -30.6843 -15.5083 -15.5083 -11.9796 -11.9767 -10.7957 -10.7957 -10.5437 -10.5415 -7.3986 -7.3935 -7.2528 -7.1864 -6.7269 -6.7145 -6.6083 -6.5430 -6.3846 -6.3769 -2.3258 -2.3070 -0.4984 -0.4928 -0.4006 -0.3733 4.1336 4.1351 4.5724 4.5728 5.2895 5.2906 5.5775 5.5801 5.6810 5.6970 6.0427 6.0453 6.2532 6.2589 6.2782 6.2877 6.8311 6.8370 7.1346 7.1402 7.2999 7.3148 8.0046 8.0678 8.0857 8.0875 8.5845 8.5993 8.7403 8.7999 8.8018 8.8530 9.2052 9.2808 9.3000 9.3480 9.4340 9.4812 10.4292 10.4971 10.7502 10.8092 10.8618 10.9155 11.3972 11.4084 11.6161 11.6249 13.1187 13.1415 14.6585 14.6623 15.2344 15.2372 15.8497 15.8498 16.4732 16.4818 k = 0.2805 0.5000-0.0000 ( 4192 PWs) bands (ev): -30.6838 -30.6838 -15.5049 -15.5049 -11.9824 -11.9796 -10.8024 -10.8024 -10.5445 -10.5425 -7.3888 -7.3837 -7.2497 -7.1853 -6.7131 -6.7002 -6.5985 -6.5356 -6.3820 -6.3744 -2.3466 -2.3282 -0.5336 -0.5295 -0.4126 -0.3872 4.0872 4.0888 4.5403 4.5408 5.2382 5.2386 5.5690 5.5714 5.6653 5.6808 6.0385 6.0408 6.2712 6.2745 6.3054 6.3131 6.8237 6.8301 7.1165 7.1216 7.2719 7.2858 8.0498 8.1146 8.1317 8.1341 8.6300 8.6425 8.7682 8.8392 8.8454 8.8742 9.2093 9.2808 9.2979 9.3485 9.4353 9.4832 10.4464 10.5144 10.7559 10.8135 10.8717 10.9235 11.4186 11.4243 11.6539 11.6586 13.1848 13.2063 14.6222 14.6258 15.2519 15.2547 15.8190 15.8191 16.3893 16.3968 k = 0.2927 0.5000-0.0000 ( 4188 PWs) bands (ev): -30.6833 -30.6833 -15.5015 -15.5015 -11.9853 -11.9825 -10.8097 -10.8096 -10.5443 -10.5424 -7.3792 -7.3739 -7.2478 -7.1861 -6.6991 -6.6859 -6.5875 -6.5275 -6.3795 -6.3720 -2.3672 -2.3492 -0.5685 -0.5654 -0.4238 -0.3999 4.0418 4.0433 4.5078 4.5086 5.1886 5.1888 5.5615 5.5638 5.6515 5.6662 6.0343 6.0365 6.2791 6.2809 6.3416 6.3481 6.8158 6.8227 7.0988 7.1034 7.2439 7.2567 8.0938 8.1599 8.1763 8.1794 8.6740 8.6839 8.7964 8.8705 8.8884 8.9010 9.2165 9.2816 9.2962 9.3498 9.4368 9.4854 10.4652 10.5334 10.7618 10.8175 10.8822 10.9318 11.4161 11.4339 11.6966 11.7104 13.2486 13.2686 14.5871 14.5906 15.2682 15.2709 15.7883 15.7885 16.3058 16.3123 k = 0.3049 0.5000-0.0000 ( 4196 PWs) bands (ev): -30.6828 -30.6828 -15.4982 -15.4982 -11.9883 -11.9855 -10.8173 -10.8172 -10.5432 -10.5413 -7.3698 -7.3644 -7.2470 -7.1884 -6.6848 -6.6714 -6.5757 -6.5189 -6.3773 -6.3699 -2.3874 -2.3699 -0.6026 -0.6004 -0.4343 -0.4118 3.9975 3.9990 4.4754 4.4763 5.1406 5.1412 5.5549 5.5571 5.6393 5.6532 6.0303 6.0324 6.2850 6.2865 6.3777 6.3844 6.8074 6.8149 7.0816 7.0856 7.2162 7.2278 8.1364 8.2035 8.2192 8.2233 8.7159 8.7229 8.8244 8.8906 8.9306 8.9361 9.2270 9.2833 9.2950 9.3520 9.4385 9.4875 10.4855 10.5536 10.7678 10.8213 10.8931 10.9400 11.4063 11.4317 11.7473 11.7655 13.3096 13.3283 14.5532 14.5566 15.2832 15.2859 15.7579 15.7580 16.2235 16.2291 k = 0.3171 0.5000-0.0000 ( 4210 PWs) bands (ev): -30.6824 -30.6824 -15.4950 -15.4950 -11.9912 -11.9885 -10.8251 -10.8250 -10.5413 -10.5396 -7.3607 -7.3550 -7.2471 -7.1922 -6.6703 -6.6570 -6.5634 -6.5100 -6.3753 -6.3681 -2.4070 -2.3901 -0.6358 -0.6341 -0.4440 -0.4228 3.9546 3.9561 4.4433 4.4443 5.0949 5.0959 5.5490 5.5513 5.6287 5.6418 6.0264 6.0283 6.2905 6.2922 6.4127 6.4200 6.7989 6.8069 7.0651 7.0684 7.1891 7.1995 8.1772 8.2452 8.2603 8.2655 8.7553 8.7588 8.8520 8.9046 8.9720 8.9743 9.2406 9.2860 9.2944 9.3554 9.4403 9.4897 10.5071 10.5750 10.7739 10.8249 10.9042 10.9483 11.3926 11.4226 11.8009 11.8207 13.3679 13.3852 14.5207 14.5240 15.2969 15.2995 15.7278 15.7280 16.1430 16.1478 k = 0.3293 0.5000-0.0000 ( 4218 PWs) bands (ev): -30.6819 -30.6819 -15.4919 -15.4919 -11.9942 -11.9916 -10.8329 -10.8328 -10.5388 -10.5372 -7.3518 -7.3459 -7.2480 -7.1970 -6.6556 -6.6426 -6.5508 -6.5011 -6.3734 -6.3665 -2.4261 -2.4098 -0.6676 -0.6664 -0.4530 -0.4330 3.9135 3.9149 4.4118 4.4130 5.0516 5.0528 5.5441 5.5462 5.6195 5.6317 6.0226 6.0245 6.2960 6.2979 6.4463 6.4542 6.7902 6.7987 7.0494 7.0519 7.1629 7.1721 8.2163 8.2848 8.2995 8.3057 8.7913 8.7915 8.8789 8.9156 9.0125 9.0127 9.2570 9.2896 9.2945 9.3602 9.4423 9.4918 10.5298 10.5974 10.7800 10.8283 10.9155 10.9566 11.3763 11.4093 11.8545 11.8746 13.4232 13.4391 14.4897 14.4928 15.3092 15.3117 15.6983 15.6986 16.0649 16.0690 k = 0.3415 0.5000-0.0000 ( 4218 PWs) bands (ev): -30.6815 -30.6815 -15.4889 -15.4889 -11.9971 -11.9946 -10.8406 -10.8406 -10.5359 -10.5344 -7.3434 -7.3372 -7.2496 -7.2028 -6.6409 -6.6283 -6.5383 -6.4923 -6.3718 -6.3652 -2.4443 -2.4289 -0.6980 -0.6971 -0.4612 -0.4425 3.8742 3.8756 4.3813 4.3825 5.0108 5.0122 5.5398 5.5419 5.6117 5.6230 6.0191 6.0208 6.3015 6.3036 6.4780 6.4866 6.7815 6.7905 7.0346 7.0362 7.1378 7.1457 8.2533 8.3222 8.3366 8.3437 8.8201 8.8240 8.9046 8.9247 9.0506 9.0520 9.2756 9.2942 9.2957 9.3664 9.4443 9.4937 10.5533 10.6205 10.7859 10.8315 10.9268 10.9647 11.3583 11.3934 11.9065 11.9260 13.4755 13.4900 14.4602 14.4633 15.3201 15.3226 15.6696 15.6699 15.9898 15.9933 k = 0.3537 0.5000-0.0000 ( 4218 PWs) bands (ev): -30.6811 -30.6811 -15.4860 -15.4860 -11.9999 -11.9976 -10.8481 -10.8480 -10.5327 -10.5314 -7.3354 -7.3289 -7.2516 -7.2092 -6.6262 -6.6141 -6.5261 -6.4840 -6.3704 -6.3641 -2.4617 -2.4471 -0.7267 -0.7261 -0.4688 -0.4513 3.8370 3.8384 4.3519 4.3531 4.9726 4.9742 5.5361 5.5383 5.6051 5.6153 6.0157 6.0174 6.3071 6.3094 6.5077 6.5168 6.7730 6.7824 7.0209 7.0215 7.1141 7.1205 8.2883 8.3573 8.3715 8.3791 8.8452 8.8522 8.9285 8.9329 9.0878 9.0905 9.2941 9.2996 9.2998 9.3741 9.4465 9.4955 10.5776 10.6441 10.7917 10.8344 10.9381 10.9727 11.3391 11.3757 11.9561 11.9746 13.5245 13.5376 14.4324 14.4353 15.3297 15.3320 15.6417 15.6421 15.9181 15.9210 k = 0.3659 0.5000-0.0000 ( 4214 PWs) bands (ev): -30.6807 -30.6807 -15.4833 -15.4833 -12.0027 -12.0005 -10.8552 -10.8552 -10.5294 -10.5281 -7.3279 -7.3210 -7.2539 -7.2160 -6.6117 -6.6002 -6.5145 -6.4763 -6.3690 -6.3633 -2.4780 -2.4644 -0.7536 -0.7532 -0.4756 -0.4594 3.8022 3.8035 4.3240 4.3252 4.9371 4.9388 5.5330 5.5351 5.5995 5.6088 6.0126 6.0141 6.3127 6.3151 6.5350 6.5447 6.7649 6.7746 7.0080 7.0083 7.0918 7.0968 8.3211 8.3899 8.4041 8.4117 8.8667 8.8758 8.9409 8.9502 9.1239 9.1276 9.2999 9.3058 9.3184 9.3833 9.4488 9.4970 10.6024 10.6681 10.7973 10.8372 10.9491 10.9805 11.3191 11.3567 12.0028 12.0200 13.5701 13.5820 14.4064 14.4091 15.3381 15.3402 15.6150 15.6154 15.8504 15.8528 k = 0.3780 0.5000-0.0000 ( 4218 PWs) bands (ev): -30.6803 -30.6803 -15.4808 -15.4808 -12.0053 -12.0033 -10.8619 -10.8619 -10.5260 -10.5248 -7.3210 -7.3136 -7.2563 -7.2231 -6.5973 -6.5865 -6.5037 -6.4695 -6.3678 -6.3627 -2.4933 -2.4807 -0.7787 -0.7783 -0.4817 -0.4668 3.7698 3.7710 4.2978 4.2990 4.9045 4.9062 5.5304 5.5325 5.5948 5.6032 6.0096 6.0111 6.3182 6.3207 6.5597 6.5697 6.7574 6.7672 6.9956 6.9970 7.0712 7.0746 8.3515 8.4198 8.4343 8.4412 8.8850 8.8943 8.9494 8.9691 9.1587 9.1631 9.3042 9.3124 9.3400 9.3937 9.4511 9.4981 10.6273 10.6920 10.8025 10.8396 10.9598 10.9880 11.2986 11.3367 12.0461 12.0619 13.6123 13.6229 14.3823 14.3848 15.3452 15.3471 15.5895 15.5900 15.7870 15.7890 k = 0.3902 0.5000-0.0000 ( 4220 PWs) bands (ev): -30.6800 -30.6800 -15.4785 -15.4785 -12.0078 -12.0059 -10.8682 -10.8681 -10.5226 -10.5215 -7.3148 -7.3068 -7.2586 -7.2301 -6.5831 -6.5731 -6.4940 -6.4640 -6.3665 -6.3622 -2.5073 -2.4958 -0.8016 -0.8014 -0.4871 -0.4736 3.7401 3.7412 4.2734 4.2746 4.8747 4.8764 5.5282 5.5302 5.5910 5.5984 6.0069 6.0082 6.3237 6.3262 6.5815 6.5917 6.7506 6.7604 6.9845 6.9871 7.0524 7.0541 8.3797 8.4468 8.4619 8.4678 8.9004 8.9082 8.9588 8.9852 9.1918 9.1967 9.3091 9.3192 9.3614 9.4050 9.4535 9.4989 10.6524 10.7157 10.8075 10.8418 10.9700 10.9950 11.2779 11.3161 12.0858 12.1000 13.6510 13.6603 14.3601 14.3624 15.3511 15.3529 15.5655 15.5660 15.7285 15.7301 k = 0.4024 0.5000-0.0000 ( 4204 PWs) bands (ev): -30.6797 -30.6797 -15.4764 -15.4763 -12.0101 -12.0084 -10.8738 -10.8738 -10.5193 -10.5183 -7.3093 -7.3007 -7.2606 -7.2370 -6.5693 -6.5601 -6.4856 -6.4597 -6.3652 -6.3617 -2.5201 -2.5097 -0.8224 -0.8223 -0.4918 -0.4797 3.7131 3.7141 4.2511 4.2522 4.8479 4.8495 5.5264 5.5283 5.5879 5.5944 6.0045 6.0057 6.3290 6.3315 6.6003 6.6104 6.7450 6.7544 6.9748 6.9786 7.0355 7.0356 8.4056 8.4707 8.4870 8.4914 8.9131 8.9184 8.9686 8.9983 9.2228 9.2280 9.3147 9.3261 9.3820 9.4171 9.4559 9.4993 10.6773 10.7389 10.8122 10.8438 10.9798 11.0016 11.2573 11.2951 12.1218 12.1344 13.6859 13.6940 14.3400 14.3421 15.3561 15.3577 15.5431 15.5436 15.6752 15.6765 k = 0.4146 0.5000-0.0000 ( 4196 PWs) bands (ev): -30.6794 -30.6794 -15.4745 -15.4744 -12.0122 -12.0106 -10.8789 -10.8789 -10.5162 -10.5154 -7.3045 -7.2952 -7.2624 -7.2436 -6.5560 -6.5476 -6.4788 -6.4570 -6.3638 -6.3613 -2.5315 -2.5223 -0.8410 -0.8409 -0.4959 -0.4851 3.6890 3.6899 4.2311 4.2321 4.8241 4.8256 5.5249 5.5267 5.5855 5.5911 6.0023 6.0034 6.3341 6.3364 6.6159 6.6254 6.7407 6.7494 6.9665 6.9716 7.0188 7.0207 8.4291 8.4909 8.5093 8.5122 8.9235 8.9261 8.9782 9.0086 9.2513 9.2567 9.3208 9.3326 9.4013 9.4293 9.4585 9.4992 10.7017 10.7611 10.8165 10.8456 10.9889 11.0076 11.2371 11.2740 12.1539 12.1649 13.7171 13.7241 14.3220 14.3239 15.3602 15.3615 15.5223 15.5228 15.6277 15.6286 k = 0.4268 0.5000-0.0000 ( 4202 PWs) bands (ev): -30.6792 -30.6792 -15.4728 -15.4728 -12.0140 -12.0127 -10.8834 -10.8834 -10.5134 -10.5127 -7.3005 -7.2905 -7.2637 -7.2496 -6.5431 -6.5357 -6.4737 -6.4559 -6.3623 -6.3607 -2.5414 -2.5335 -0.8572 -0.8572 -0.4992 -0.4900 3.6679 3.6687 4.2134 4.2143 4.8034 4.8047 5.5238 5.5254 5.5836 5.5882 6.0004 6.0014 6.3387 6.3409 6.6283 6.6368 6.7378 6.7455 6.9596 6.9659 7.0042 7.0078 8.4503 8.5072 8.5289 8.5305 8.9319 8.9322 8.9869 9.0162 9.2770 9.2825 9.3269 9.3385 9.4189 9.4411 9.4612 9.4987 10.7253 10.7817 10.8205 10.8471 10.9971 11.0129 11.2178 11.2532 12.1819 12.1914 13.7443 13.7502 14.3063 14.3080 15.3634 15.3646 15.5034 15.5038 15.5862 15.5869 k = 0.4390 0.5000-0.0000 ( 4208 PWs) bands (ev): -30.6790 -30.6790 -15.4713 -15.4713 -12.0156 -12.0145 -10.8872 -10.8872 -10.5110 -10.5104 -7.2972 -7.2867 -7.2645 -7.2550 -6.5308 -6.5244 -6.4704 -6.4564 -6.3609 -6.3601 -2.5498 -2.5431 -0.8711 -0.8711 -0.5020 -0.4942 3.6500 3.6506 4.1983 4.1990 4.7858 4.7870 5.5228 5.5242 5.5821 5.5859 5.9988 5.9996 6.3430 6.3448 6.6376 6.6447 6.7365 6.7427 6.9541 6.9613 6.9919 6.9970 8.4692 8.5195 8.5457 8.5464 8.9373 8.9385 8.9948 9.0214 9.2994 9.3049 9.3330 9.3435 9.4343 9.4520 9.4640 9.4977 10.7476 10.7998 10.8246 10.8485 11.0045 11.0175 11.2001 11.2329 12.2059 12.2137 13.7675 13.7724 14.2929 14.2943 15.3660 15.3669 15.4861 15.4866 15.5514 15.5519 k = 0.4512 0.5000-0.0000 ( 4224 PWs) bands (ev): -30.6788 -30.6788 -15.4701 -15.4701 -12.0169 -12.0160 -10.8904 -10.8904 -10.5089 -10.5084 -7.2945 -7.2841 -7.2649 -7.2594 -6.5191 -6.5138 -6.4690 -6.4584 -6.3596 -6.3593 -2.5566 -2.5513 -0.8825 -0.8825 -0.5040 -0.4977 3.6351 3.6357 4.1857 4.1863 4.7714 4.7723 5.5221 5.5233 5.5810 5.5840 5.9974 5.9980 6.3466 6.3482 6.6441 6.6497 6.7363 6.7410 6.9499 6.9575 6.9822 6.9882 8.4857 8.5278 8.5595 8.5597 8.9415 8.9434 9.0017 9.0246 9.3182 9.3236 9.3389 9.3475 9.4474 9.4614 9.4671 9.4962 10.7680 10.8134 10.8300 10.8498 11.0109 11.0212 11.1846 11.2137 12.2256 12.2319 13.7867 13.7905 14.2819 14.2830 15.3680 15.3687 15.4707 15.4710 15.5237 15.5240 k = 0.4634 0.5000-0.0000 ( 4236 PWs) bands (ev): -30.6787 -30.6787 -15.4692 -15.4692 -12.0179 -12.0173 -10.8929 -10.8929 -10.5072 -10.5068 -7.2921 -7.2828 -7.2650 -7.2625 -6.5082 -6.5041 -6.4694 -6.4619 -6.3586 -6.3585 -2.5619 -2.5578 -0.8915 -0.8915 -0.5054 -0.5007 3.6236 3.6240 4.1759 4.1764 4.7601 4.7609 5.5217 5.5226 5.5803 5.5825 5.9964 5.9969 6.3497 6.3509 6.6484 6.6523 6.7369 6.7401 6.9470 6.9542 6.9752 6.9812 8.4999 8.5326 8.5703 8.5703 8.9450 8.9469 9.0078 9.0259 9.3328 9.3383 9.3445 9.3503 9.4578 9.4674 9.4720 9.4943 10.7859 10.8202 10.8381 10.8510 11.0165 11.0242 11.1722 11.1962 12.2413 12.2460 13.8017 13.8046 14.2733 14.2742 15.3696 15.3701 15.4572 15.4574 15.5031 15.5033 k = 0.4756 0.5000-0.0000 ( 4240 PWs) bands (ev): -30.6786 -30.6786 -15.4685 -15.4685 -12.0186 -12.0182 -10.8947 -10.8947 -10.5060 -10.5057 -7.2900 -7.2829 -7.2651 -7.2643 -6.4981 -6.4953 -6.4716 -6.4668 -6.3579 -6.3576 -2.5654 -2.5627 -0.8979 -0.8979 -0.5062 -0.5030 3.6153 3.6156 4.1689 4.1692 4.7521 4.7526 5.5214 5.5220 5.5799 5.5814 5.9957 5.9960 6.3520 6.3528 6.6510 6.6535 6.7378 6.7397 6.9454 6.9510 6.9712 6.9760 8.5118 8.5341 8.5780 8.5781 8.9476 8.9492 9.0131 9.0256 9.3426 9.3489 9.3502 9.3518 9.4653 9.4703 9.4780 9.4921 10.8006 10.8223 10.8460 10.8522 11.0210 11.0262 11.1639 11.1813 12.2527 12.2558 13.8127 13.8146 14.2672 14.2678 15.3707 15.3710 15.4464 15.4465 15.4893 15.4894 k = 0.4878 0.5000-0.0000 ( 4244 PWs) bands (ev): -30.6785 -30.6785 -15.4681 -15.4681 -12.0190 -12.0188 -10.8957 -10.8957 -10.5052 -10.5051 -7.2880 -7.2842 -7.2651 -7.2650 -6.4888 -6.4876 -6.4753 -6.4729 -6.3573 -6.3572 -2.5673 -2.5659 -0.9017 -0.9017 -0.5063 -0.5048 3.6103 3.6105 4.1647 4.1648 4.7474 4.7476 5.5213 5.5216 5.5799 5.5806 5.9953 5.9954 6.3534 6.3539 6.6525 6.6537 6.7386 6.7395 6.9451 6.9481 6.9697 6.9724 8.5213 8.5326 8.5827 8.5827 8.9495 8.9503 9.0176 9.0240 9.3480 9.3520 9.3551 9.3552 9.4700 9.4719 9.4828 9.4895 10.8114 10.8216 10.8512 10.8532 11.0243 11.0269 11.1606 11.1697 12.2598 12.2614 13.8194 13.8204 14.2636 14.2639 15.3714 15.3715 15.4393 15.4393 15.4815 15.4816 k = 0.5000 0.5000-0.0000 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4680 -15.4680 -12.0191 -12.0191 -10.8961 -10.8961 -10.5049 -10.5049 -7.2860 -7.2860 -7.2651 -7.2651 -6.4821 -6.4821 -6.4790 -6.4790 -6.3571 -6.3571 -2.5674 -2.5674 -0.9030 -0.9030 -0.5059 -0.5059 3.6088 3.6088 4.1633 4.1633 4.7459 4.7459 5.5214 5.5214 5.5801 5.5801 5.9952 5.9952 6.3541 6.3541 6.6534 6.6534 6.7391 6.7391 6.9460 6.9460 6.9702 6.9702 8.5284 8.5284 8.5843 8.5843 8.9504 8.9504 9.0213 9.0213 9.3509 9.3509 9.3572 9.3572 9.4720 9.4720 9.4865 9.4865 10.8181 10.8181 10.8532 10.8532 11.0264 11.0264 11.1626 11.1626 12.2628 12.2628 13.8221 13.8221 14.2625 14.2625 15.3717 15.3717 15.4368 15.4368 15.4790 15.4790 k = 0.5000 0.5000-0.0000 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4680 -15.4680 -12.0191 -12.0191 -10.8961 -10.8961 -10.5049 -10.5049 -7.2860 -7.2860 -7.2651 -7.2651 -6.4821 -6.4821 -6.4790 -6.4790 -6.3571 -6.3571 -2.5674 -2.5674 -0.9030 -0.9030 -0.5059 -0.5059 3.6088 3.6088 4.1633 4.1633 4.7459 4.7459 5.5214 5.5214 5.5801 5.5801 5.9952 5.9952 6.3541 6.3541 6.6534 6.6534 6.7391 6.7391 6.9460 6.9460 6.9702 6.9702 8.5284 8.5284 8.5843 8.5843 8.9504 8.9504 9.0213 9.0213 9.3509 9.3509 9.3572 9.3572 9.4720 9.4720 9.4865 9.4865 10.8181 10.8181 10.8532 10.8532 11.0264 11.0264 11.1626 11.1626 12.2628 12.2628 13.8221 13.8221 14.2625 14.2625 15.3717 15.3717 15.4368 15.4368 15.4790 15.4790 k = 0.4914 0.4914-0.0000 ( 4244 PWs) bands (ev): -30.6785 -30.6785 -15.4681 -15.4681 -12.0190 -12.0188 -10.8957 -10.8957 -10.5052 -10.5051 -7.2881 -7.2841 -7.2650 -7.2650 -6.4891 -6.4874 -6.4753 -6.4729 -6.3573 -6.3572 -2.5673 -2.5659 -0.9017 -0.9017 -0.5063 -0.5047 3.6103 3.6105 4.1647 4.1648 4.7474 4.7476 5.5213 5.5216 5.5799 5.5806 5.9953 5.9954 6.3534 6.3539 6.6525 6.6537 6.7386 6.7394 6.9450 6.9481 6.9697 6.9724 8.5213 8.5326 8.5827 8.5827 8.9495 8.9503 9.0176 9.0240 9.3481 9.3518 9.3552 9.3553 9.4700 9.4719 9.4830 9.4894 10.8114 10.8215 10.8515 10.8529 11.0243 11.0269 11.1606 11.1698 12.2598 12.2614 13.8194 13.8204 14.2636 14.2639 15.3714 15.3715 15.4393 15.4393 15.4815 15.4815 k = 0.4828 0.4828-0.0000 ( 4240 PWs) bands (ev): -30.6786 -30.6786 -15.4685 -15.4685 -12.0186 -12.0182 -10.8947 -10.8947 -10.5060 -10.5057 -7.2904 -7.2823 -7.2650 -7.2647 -6.4988 -6.4949 -6.4711 -6.4669 -6.3580 -6.3576 -2.5654 -2.5627 -0.8979 -0.8979 -0.5062 -0.5030 3.6153 3.6156 4.1689 4.1692 4.7521 4.7526 5.5214 5.5220 5.5799 5.5814 5.9957 5.9960 6.3520 6.3528 6.6511 6.6535 6.7379 6.7395 6.9452 6.9515 6.9708 6.9761 8.5118 8.5341 8.5780 8.5781 8.9476 8.9490 9.0134 9.0255 9.3436 9.3477 9.3493 9.3529 9.4650 9.4702 9.4795 9.4912 10.8011 10.8219 10.8484 10.8495 11.0211 11.0260 11.1638 11.1815 12.2527 12.2558 13.8127 13.8146 14.2672 14.2678 15.3707 15.3710 15.4467 15.4468 15.4890 15.4891 k = 0.4741 0.4741-0.0000 ( 4232 PWs) bands (ev): -30.6787 -30.6787 -15.4692 -15.4692 -12.0179 -12.0172 -10.8929 -10.8929 -10.5072 -10.5068 -7.2930 -7.2805 -7.2649 -7.2641 -6.5098 -6.5035 -6.4679 -6.4620 -6.3590 -6.3585 -2.5619 -2.5578 -0.8915 -0.8914 -0.5054 -0.5007 3.6236 3.6240 4.1759 4.1764 4.7602 4.7609 5.5217 5.5226 5.5803 5.5825 5.9964 5.9969 6.3497 6.3509 6.6489 6.6526 6.7371 6.7392 6.9467 6.9561 6.9736 6.9813 8.4999 8.5325 8.5704 8.5705 8.9446 8.9462 9.0089 9.0257 9.3367 9.3372 9.3402 9.3515 9.4570 9.4673 9.4761 9.4919 10.7875 10.8198 10.8429 10.8444 11.0169 11.0236 11.1720 11.1971 12.2414 12.2461 13.8019 13.8047 14.2733 14.2741 15.3695 15.3701 15.4588 15.4590 15.5015 15.5016 k = 0.4655 0.4655-0.0000 ( 4230 PWs) bands (ev): -30.6788 -30.6788 -15.4702 -15.4702 -12.0169 -12.0160 -10.8904 -10.8904 -10.5089 -10.5084 -7.2960 -7.2787 -7.2648 -7.2632 -6.5220 -6.5133 -6.4656 -6.4581 -6.3605 -6.3598 -2.5567 -2.5514 -0.8827 -0.8825 -0.5040 -0.4976 3.6351 3.6357 4.1858 4.1864 4.7714 4.7724 5.5221 5.5232 5.5809 5.5839 5.9975 5.9982 6.3466 6.3482 6.6455 6.6505 6.7365 6.7386 6.9495 6.9620 6.9783 6.9879 8.4854 8.5274 8.5598 8.5603 8.9402 8.9415 9.0046 9.0244 9.3227 9.3241 9.3311 9.3491 9.4468 9.4635 9.4724 9.4917 10.7712 10.8150 10.8336 10.8395 11.0118 11.0197 11.1845 11.2157 12.2260 12.2322 13.7871 13.7909 14.2817 14.2828 15.3679 15.3687 15.4752 15.4757 15.5190 15.5191 k = 0.4569 0.4569-0.0000 ( 4222 PWs) bands (ev): -30.6790 -30.6790 -15.4714 -15.4714 -12.0156 -12.0144 -10.8872 -10.8872 -10.5111 -10.5105 -7.2995 -7.2769 -7.2648 -7.2619 -6.5353 -6.5240 -6.4642 -6.4552 -6.3625 -6.3617 -2.5500 -2.5435 -0.8715 -0.8711 -0.5019 -0.4939 3.6499 3.6506 4.1984 4.1992 4.7860 4.7872 5.5227 5.5241 5.5818 5.5856 5.9990 5.9999 6.3430 6.3448 6.6406 6.6469 6.7361 6.7379 6.9540 6.9694 6.9848 6.9962 8.4685 8.5185 8.5466 8.5477 8.9340 8.9348 9.0006 9.0217 9.3045 9.3068 9.3215 9.3452 9.4352 9.4592 9.4681 9.4909 10.7529 10.8070 10.8230 10.8338 11.0056 11.0144 11.2006 11.2366 12.2066 12.2145 13.7686 13.7734 14.2925 14.2939 15.3658 15.3670 15.4958 15.4964 15.5415 15.5417 k = 0.4483 0.4483-0.0000 ( 4208 PWs) bands (ev): -30.6792 -30.6792 -15.4728 -15.4728 -12.0139 -12.0125 -10.8833 -10.8833 -10.5138 -10.5130 -7.3035 -7.2754 -7.2646 -7.2602 -6.5496 -6.5357 -6.4636 -6.4532 -6.3651 -6.3641 -2.5418 -2.5341 -0.8581 -0.8573 -0.4991 -0.4895 3.6679 3.6687 4.2137 4.2146 4.8038 4.8052 5.5235 5.5251 5.5831 5.5877 6.0008 6.0020 6.3388 6.3409 6.6337 6.6413 6.7362 6.7373 6.9602 6.9784 6.9931 7.0060 8.4491 8.5056 8.5309 8.5329 8.9255 8.9262 8.9966 9.0174 9.2831 9.2862 9.3106 9.3396 9.4233 9.4545 9.4631 9.4895 10.7331 10.7949 10.8127 10.8272 10.9983 11.0078 11.2195 11.2593 12.1835 12.1929 13.7465 13.7523 14.3055 14.3071 15.3631 15.3647 15.5201 15.5210 15.5688 15.5690 k = 0.4397 0.4397-0.0000 ( 4212 PWs) bands (ev): -30.6794 -30.6794 -15.4746 -15.4746 -12.0119 -12.0104 -10.8787 -10.8787 -10.5168 -10.5159 -7.3080 -7.2745 -7.2639 -7.2581 -6.5649 -6.5482 -6.4638 -6.4519 -6.3683 -6.3671 -2.5322 -2.5235 -0.8425 -0.8413 -0.4956 -0.4842 3.6890 3.6900 4.2316 4.2327 4.8248 4.8264 5.5245 5.5262 5.5845 5.5900 6.0031 6.0045 6.3341 6.3364 6.6245 6.6330 6.7369 6.7372 6.9684 6.9890 7.0033 7.0174 8.4268 8.4883 8.5130 8.5158 8.9144 8.9160 8.9922 9.0115 9.2591 9.2630 9.2987 9.3319 9.4119 9.4495 9.4572 9.4879 10.7124 10.7791 10.8030 10.8196 10.9898 10.9998 11.2405 11.2831 12.1566 12.1677 13.7210 13.7278 14.3205 14.3224 15.3598 15.3617 15.5480 15.5492 15.6008 15.6010 k = 0.4310 0.4310-0.0000 ( 4216 PWs) bands (ev): -30.6797 -30.6797 -15.4766 -15.4766 -12.0097 -12.0079 -10.8735 -10.8734 -10.5203 -10.5193 -7.3131 -7.2745 -7.2624 -7.2556 -6.5811 -6.5615 -6.4647 -6.4514 -6.3722 -6.3707 -2.5213 -2.5116 -0.8248 -0.8231 -0.4912 -0.4781 3.7131 3.7142 4.2520 4.2533 4.8492 4.8509 5.5256 5.5274 5.5862 5.5926 6.0059 6.0077 6.3292 6.3316 6.6125 6.6217 6.7378 6.7384 6.9785 7.0012 7.0152 7.0305 8.4017 8.4666 8.4931 8.4964 8.9005 8.9049 8.9864 9.0035 9.2330 9.2379 9.2863 9.3220 9.4018 9.4442 9.4505 9.4861 10.6909 10.7612 10.7928 10.8109 10.9801 10.9906 11.2632 11.3078 12.1263 12.1390 13.6923 13.7001 14.3376 14.3397 15.3556 15.3579 15.5794 15.5809 15.6369 15.6371 k = 0.4224 0.4224-0.0000 ( 4208 PWs) bands (ev): -30.6800 -30.6800 -15.4788 -15.4788 -12.0071 -12.0052 -10.8675 -10.8675 -10.5242 -10.5230 -7.3188 -7.2755 -7.2601 -7.2527 -6.5980 -6.5753 -6.4662 -6.4515 -6.3768 -6.3748 -2.5093 -2.4987 -0.8054 -0.8030 -0.4860 -0.4711 3.7401 3.7414 4.2749 4.2763 4.8768 4.8787 5.5269 5.5288 5.5882 5.5955 6.0092 6.0114 6.3240 6.3265 6.5979 6.6072 6.7391 6.7407 6.9905 7.0150 7.0290 7.0451 8.3735 8.4406 8.4714 8.4749 8.8838 8.8933 8.9783 8.9930 9.2060 9.2119 9.2737 9.3101 9.3933 9.4385 9.4430 9.4843 10.6691 10.7421 10.7819 10.8013 10.9693 10.9802 11.2870 11.3332 12.0928 12.1071 13.6607 13.6695 14.3566 14.3589 15.3506 15.3532 15.6142 15.6160 15.6769 15.6771 k = 0.4138 0.4138-0.0000 ( 4212 PWs) bands (ev): -30.6804 -30.6804 -15.4813 -15.4813 -12.0043 -12.0021 -10.8609 -10.8609 -10.5284 -10.5271 -7.3250 -7.2773 -7.2572 -7.2495 -6.6155 -6.5897 -6.4682 -6.4521 -6.3821 -6.3795 -2.4963 -2.4849 -0.7844 -0.7811 -0.4797 -0.4630 3.7700 3.7715 4.3000 4.3016 4.9076 4.9097 5.5283 5.5302 5.5905 5.5988 6.0132 6.0159 6.3188 6.3212 6.5805 6.5896 6.7412 6.7436 7.0044 7.0305 7.0444 7.0614 8.3422 8.4100 8.4483 8.4517 8.8646 8.8817 8.9667 8.9790 9.1793 9.1860 9.2615 9.2964 9.3865 9.4320 9.4346 9.4828 10.6471 10.7224 10.7700 10.7906 10.9572 10.9685 11.3115 11.3588 12.0562 12.0722 13.6263 13.6362 14.3773 14.3799 15.3445 15.3475 15.6524 15.6544 15.7202 15.7204 k = 0.4052 0.4052-0.0000 ( 4208 PWs) bands (ev): -30.6808 -30.6807 -15.4841 -15.4841 -12.0013 -11.9989 -10.8536 -10.8536 -10.5330 -10.5315 -7.3319 -7.2798 -7.2538 -7.2460 -6.6336 -6.6044 -6.4709 -6.4533 -6.3880 -6.3847 -2.4823 -2.4702 -0.7621 -0.7578 -0.4723 -0.4538 3.8026 3.8042 4.3274 4.3291 4.9418 4.9439 5.5299 5.5318 5.5931 5.6023 6.0179 6.0211 6.3135 6.3157 6.5605 6.5690 6.7439 6.7470 7.0200 7.0475 7.0617 7.0792 8.3076 8.3747 8.4240 8.4271 8.8432 8.8701 8.9501 8.9606 9.1542 9.1616 9.2497 9.2818 9.3809 9.4248 9.4255 9.4816 10.6252 10.7023 10.7570 10.7788 10.9439 10.9556 11.3366 11.3846 12.0169 12.0344 13.5893 13.6003 14.3998 14.4025 15.3372 15.3405 15.6938 15.6961 15.7664 15.7666 k = 0.3966 0.3966-0.0000 ( 4206 PWs) bands (ev): -30.6812 -30.6812 -15.4871 -15.4871 -11.9979 -11.9954 -10.8456 -10.8456 -10.5379 -10.5362 -7.3393 -7.2831 -7.2501 -7.2423 -6.6521 -6.6195 -6.4740 -6.4550 -6.3944 -6.3902 -2.4676 -2.4549 -0.7388 -0.7334 -0.4636 -0.4432 3.8377 3.8395 4.3568 4.3587 4.9792 4.9814 5.5317 5.5335 5.5960 5.6062 6.0233 6.0272 6.3082 6.3102 6.5381 6.5457 6.7471 6.7508 7.0372 7.0660 7.0806 7.0986 8.2698 8.3350 8.3986 8.4016 8.8203 8.8589 8.9274 8.9369 9.1321 9.1398 9.2386 9.2667 9.3763 9.4157 9.4167 9.4808 10.6035 10.6821 10.7430 10.7661 10.9294 10.9415 11.3618 11.4103 11.9750 11.9941 13.5501 13.5622 14.4237 14.4266 15.3286 15.3322 15.7383 15.7409 15.8151 15.8152 k = 0.3879 0.3879-0.0000 ( 4206 PWs) bands (ev): -30.6816 -30.6816 -15.4903 -15.4903 -11.9944 -11.9916 -10.8370 -10.8370 -10.5431 -10.5413 -7.3475 -7.2869 -7.2461 -7.2382 -6.6709 -6.6347 -6.4777 -6.4571 -6.4013 -6.3960 -2.4522 -2.4391 -0.7149 -0.7082 -0.4533 -0.4312 3.8753 3.8773 4.3880 4.3901 5.0199 5.0221 5.5336 5.5353 5.5991 5.6104 6.0295 6.0343 6.3031 6.3046 6.5136 6.5200 6.7505 6.7548 7.0558 7.0859 7.1012 7.1195 8.2290 8.2913 8.3724 8.3754 8.7963 8.8479 8.8982 8.9076 9.1137 9.1212 9.2280 9.2516 9.3723 9.4052 9.4076 9.4805 10.5821 10.6620 10.7280 10.7524 10.9137 10.9263 11.3870 11.4358 11.9306 11.9514 13.5087 13.5218 14.4491 14.4522 15.3185 15.3224 15.7858 15.7886 15.8659 15.8660 k = 0.3793 0.3793-0.0000 ( 4214 PWs) bands (ev): -30.6821 -30.6821 -15.4938 -15.4938 -11.9906 -11.9877 -10.8278 -10.8278 -10.5485 -10.5465 -7.3563 -7.2915 -7.2419 -7.2340 -6.6898 -6.6500 -6.4818 -6.4598 -6.4084 -6.4020 -2.4363 -2.4229 -0.6907 -0.6828 -0.4412 -0.4174 3.9152 3.9174 4.4210 4.4232 5.0638 5.0660 5.5357 5.5372 5.6025 5.6148 6.0366 6.0425 6.2981 6.2990 6.4870 6.4922 6.7541 6.7589 7.0757 7.1069 7.1235 7.1419 8.1854 8.2443 8.3457 8.3486 8.7716 8.8371 8.8629 8.8732 9.0987 9.1057 9.2180 9.2367 9.3684 9.3945 9.3974 9.4805 10.5611 10.6422 10.7121 10.7377 10.8967 10.9099 11.4120 11.4608 11.8841 11.9066 13.4653 13.4795 14.4759 14.4791 15.3068 15.3110 15.8362 15.8393 15.9184 15.9184 k = 0.3707 0.3707-0.0000 ( 4206 PWs) bands (ev): -30.6826 -30.6826 -15.4975 -15.4975 -11.9866 -11.9836 -10.8179 -10.8179 -10.5542 -10.5520 -7.3659 -7.2968 -7.2376 -7.2295 -6.7089 -6.6654 -6.4864 -6.4629 -6.4157 -6.4081 -2.4200 -2.4064 -0.6667 -0.6576 -0.4270 -0.4017 3.9572 3.9597 4.4555 4.4578 5.1109 5.1131 5.5379 5.5393 5.6062 5.6195 6.0447 6.0519 6.2932 6.2933 6.4590 6.4628 6.7576 6.7629 7.0966 7.1290 7.1474 7.1660 8.1393 8.1946 8.3187 8.3216 8.7464 8.8220 8.8270 8.8350 9.0865 9.0927 9.2084 9.2222 9.3638 9.3843 9.3863 9.4809 10.5407 10.6229 10.6952 10.7222 10.8787 10.8923 11.4366 11.4855 11.8357 11.8598 13.4200 13.4354 14.5039 14.5073 15.2935 15.2978 15.8893 15.8926 15.9721 15.9723 k = 0.3621 0.3621-0.0000 ( 4205 PWs) bands (ev): -30.6831 -30.6831 -15.5014 -15.5014 -11.9825 -11.9792 -10.8075 -10.8074 -10.5600 -10.5577 -7.3762 -7.3030 -7.2331 -7.2249 -6.7280 -6.6807 -6.4913 -6.4667 -6.4229 -6.4141 -2.4035 -2.3898 -0.6432 -0.6332 -0.4104 -0.3840 4.0013 4.0040 4.4913 4.4938 5.1612 5.1633 5.5403 5.5414 5.6100 5.6244 6.0536 6.0627 6.2870 6.2887 6.4298 6.4323 6.7609 6.7667 7.1185 7.1520 7.1728 7.1915 8.0913 8.1429 8.2914 8.2944 8.7203 8.7779 8.7947 8.8163 9.0761 9.0814 9.1991 9.2081 9.3566 9.3742 9.3764 9.4816 10.5209 10.6040 10.6776 10.7059 10.8595 10.8737 11.4608 11.5095 11.7856 11.8112 13.3731 13.3895 14.5331 14.5365 15.2783 15.2829 15.9449 15.9483 16.0267 16.0271 k = 0.3534 0.3534-0.0000 ( 4211 PWs) bands (ev): -30.6837 -30.6837 -15.5055 -15.5055 -11.9782 -11.9748 -10.7965 -10.7964 -10.5660 -10.5635 -7.3873 -7.3100 -7.2285 -7.2202 -6.7470 -6.6958 -6.4964 -6.4710 -6.4297 -6.4200 -2.3868 -2.3731 -0.6207 -0.6100 -0.3912 -0.3642 4.0472 4.0501 4.5282 4.5308 5.2146 5.2166 5.5427 5.5436 5.6141 5.6295 6.0634 6.0749 6.2800 6.2841 6.3999 6.4015 6.7640 6.7702 7.1412 7.1758 7.1997 7.2185 8.0419 8.0901 8.2641 8.2673 8.6921 8.7307 8.7546 8.8059 9.0668 9.0712 9.1898 9.1943 9.3456 9.3612 9.3720 9.4827 10.5018 10.5857 10.6592 10.6889 10.8391 10.8539 11.4843 11.5328 11.7339 11.7611 13.3246 13.3421 14.5632 14.5668 15.2613 15.2660 16.0027 16.0063 16.0820 16.0827 k = 0.3448 0.3448-0.0000 ( 4205 PWs) bands (ev): -30.6843 -30.6843 -15.5098 -15.5098 -11.9737 -11.9702 -10.7849 -10.7848 -10.5720 -10.5694 -7.3992 -7.3180 -7.2239 -7.2154 -6.7657 -6.7107 -6.5018 -6.4760 -6.4361 -6.4257 -2.3701 -2.3565 -0.5993 -0.5884 -0.3694 -0.3423 4.0948 4.0980 4.5660 4.5688 5.2711 5.2729 5.5454 5.5459 5.6185 5.6348 6.0738 6.0887 6.2712 6.2792 6.3704 6.3717 6.7666 6.7732 7.1646 7.2001 7.2280 7.2469 7.9918 8.0368 8.2369 8.2403 8.6593 8.6816 8.7183 8.7956 9.0581 9.0616 9.1806 9.1809 9.3322 9.3473 9.3700 9.4840 10.4834 10.5682 10.6401 10.6712 10.8177 10.8331 11.5071 11.5551 11.6809 11.7098 13.2747 13.2932 14.5943 14.5980 15.2423 15.2471 16.0624 16.0662 16.1377 16.1388 k = 0.3362 0.3362-0.0000 ( 4211 PWs) bands (ev): -30.6849 -30.6849 -15.5143 -15.5143 -11.9691 -11.9655 -10.7727 -10.7726 -10.5782 -10.5754 -7.4120 -7.3271 -7.2192 -7.2106 -6.7841 -6.7254 -6.5071 -6.4814 -6.4419 -6.4312 -2.3535 -2.3401 -0.5793 -0.5686 -0.3450 -0.3184 4.1440 4.1473 4.6045 4.6075 5.3306 5.3321 5.5482 5.5482 5.6230 5.6403 6.0844 6.1042 6.2584 6.2735 6.3428 6.3452 6.7688 6.7756 7.1886 7.2249 7.2576 7.2766 7.9414 7.9837 8.2100 8.2137 8.6202 8.6312 8.6884 8.7853 9.0494 9.0522 9.1676 9.1712 9.3172 9.3324 9.3693 9.4857 10.4659 10.5513 10.6205 10.6529 10.7952 10.8113 11.5288 11.5763 11.6268 11.6575 13.2234 13.2430 14.6262 14.6300 15.2213 15.2261 16.1238 16.1277 16.1934 16.1951 k = 0.3276 0.3276-0.0000 ( 4211 PWs) bands (ev): -30.6855 -30.6855 -15.5190 -15.5190 -11.9644 -11.9608 -10.7600 -10.7599 -10.5843 -10.5814 -7.4256 -7.3373 -7.2146 -7.2058 -6.8021 -6.7398 -6.5124 -6.4873 -6.4470 -6.4363 -2.3370 -2.3239 -0.5606 -0.5505 -0.3184 -0.2927 4.1945 4.1981 4.6434 4.6466 5.3931 5.3940 5.5507 5.5512 5.6278 5.6459 6.0941 6.1213 6.2391 6.2656 6.3198 6.3251 6.7702 6.7773 7.2130 7.2501 7.2883 7.3075 7.8916 7.9314 8.1835 8.1876 8.5762 8.5804 8.6641 8.7752 9.0407 9.0429 9.1543 9.1615 9.3013 9.3168 9.3695 9.4876 10.4493 10.5352 10.6005 10.6341 10.7717 10.7885 11.5478 11.5735 11.5907 11.6099 13.1710 13.1916 14.6586 14.6625 15.1983 15.2032 16.1864 16.1904 16.2492 16.2515 k = 0.3190 0.3190-0.0000 ( 4215 PWs) bands (ev): -30.6861 -30.6861 -15.5239 -15.5239 -11.9597 -11.9559 -10.7469 -10.7467 -10.5905 -10.5874 -7.4402 -7.3487 -7.2100 -7.2010 -6.8194 -6.7539 -6.5175 -6.4934 -6.4516 -6.4412 -2.3208 -2.3081 -0.5432 -0.5339 -0.2901 -0.2658 4.2461 4.2500 4.6826 4.6859 5.4580 5.4583 5.5532 5.5548 5.6329 5.6517 6.1009 6.1401 6.2127 6.2543 6.3049 6.3126 6.7710 6.7782 7.2377 7.2756 7.3200 7.3395 7.8428 7.8807 8.1576 8.1621 8.5296 8.5300 8.6435 8.7651 9.0316 9.0333 9.1410 9.1516 9.2845 9.3003 9.3705 9.4897 10.4335 10.5198 10.5801 10.6149 10.7472 10.7649 11.5134 11.5466 11.5718 11.6190 13.1174 13.1390 14.6913 14.6952 15.1735 15.1783 16.2493 16.2536 16.3048 16.3082 k = 0.3103 0.3103-0.0000 ( 4211 PWs) bands (ev): -30.6868 -30.6868 -15.5289 -15.5289 -11.9549 -11.9510 -10.7333 -10.7330 -10.5965 -10.5933 -7.4556 -7.3614 -7.2056 -7.1963 -6.8361 -6.7676 -6.5221 -6.4994 -6.4556 -6.4457 -2.3049 -2.2927 -0.5269 -0.5187 -0.2606 -0.2380 4.2989 4.3029 4.7217 4.7253 5.5212 5.5257 5.5563 5.5613 5.6387 5.6575 6.1016 6.1597 6.1816 6.2431 6.2984 6.3061 6.7708 6.7782 7.2627 7.3012 7.3526 7.3723 7.7958 7.8319 8.1323 8.1374 8.4795 8.4834 8.6254 8.7553 9.0221 9.0234 9.1275 9.1412 9.2670 9.2830 9.3722 9.4921 10.4187 10.5053 10.5596 10.5955 10.7219 10.7404 11.4570 11.4917 11.5903 11.6370 13.0628 13.0855 14.7239 14.7278 15.1470 15.1517 16.3115 16.3162 16.3606 16.3656 k = 0.3017 0.3017-0.0000 ( 4215 PWs) bands (ev): -30.6874 -30.6874 -15.5341 -15.5340 -11.9501 -11.9462 -10.7193 -10.7188 -10.6024 -10.5991 -7.4720 -7.3755 -7.2012 -7.1918 -6.8520 -6.7808 -6.5263 -6.5051 -6.4591 -6.4500 -2.2894 -2.2777 -0.5115 -0.5045 -0.2306 -0.2097 4.3524 4.3566 4.7606 4.7645 5.5530 5.5567 5.5979 5.5983 5.6478 5.6638 6.0926 6.1450 6.1831 6.2378 6.2984 6.3042 6.7698 6.7773 7.2879 7.3268 7.3858 7.4057 7.7511 7.7857 8.1078 8.1136 8.4306 8.4375 8.6093 8.7459 9.0121 9.0130 9.1137 9.1303 9.2488 9.2650 9.3745 9.4946 10.4048 10.4914 10.5393 10.5759 10.6957 10.7151 11.3996 11.4358 11.6081 11.6542 13.0073 13.0309 14.7557 14.7597 15.1194 15.1239 16.3702 16.3764 16.4174 16.4245 k = 0.2931 0.2931-0.0000 ( 4203 PWs) bands (ev): -30.6881 -30.6881 -15.5394 -15.5393 -11.9452 -11.9413 -10.7049 -10.7043 -10.6081 -10.6047 -7.4893 -7.3911 -7.1970 -7.1874 -6.8670 -6.7937 -6.5299 -6.5103 -6.4623 -6.4539 -2.2743 -2.2633 -0.4970 -0.4911 -0.2006 -0.1816 4.4066 4.4109 4.7990 4.8034 5.5585 5.5594 5.6363 5.6610 5.6794 5.6848 6.0739 6.1093 6.2043 6.2394 6.3043 6.3067 6.7678 6.7753 7.3130 7.3522 7.4195 7.4394 7.7093 7.7426 8.0841 8.0907 8.3835 8.3932 8.5951 8.7370 9.0015 9.0022 9.0995 9.1189 9.2301 9.2464 9.3774 9.4974 10.3919 10.4779 10.5194 10.5563 10.6687 10.6891 11.3416 11.3793 11.6249 11.6703 12.9510 12.9756 14.7858 14.7896 15.0916 15.0959 16.4197 16.4307 16.4741 16.4859 k = 0.2845 0.2845-0.0000 ( 4203 PWs) bands (ev): -30.6888 -30.6888 -15.5448 -15.5447 -11.9404 -11.9364 -10.6904 -10.6894 -10.6134 -10.6102 -7.5076 -7.4081 -7.1931 -7.1832 -6.8810 -6.8061 -6.5327 -6.5148 -6.4651 -6.4574 -2.2598 -2.2494 -0.4831 -0.4782 -0.1711 -0.1540 4.4613 4.4656 4.8369 4.8417 5.5614 5.5615 5.6461 5.6728 5.7489 5.7543 6.0487 6.0728 6.2238 6.2442 6.3150 6.3171 6.7647 6.7722 7.3380 7.3772 7.4533 7.4729 7.6711 7.7030 8.0614 8.0687 8.3388 8.3511 8.5825 8.7286 8.9903 8.9909 9.0848 9.1069 9.2109 9.2271 9.3808 9.5003 10.3798 10.4644 10.5006 10.5367 10.6411 10.6626 11.2832 11.3223 11.6404 11.6853 12.8939 12.9194 14.8121 14.8156 15.0656 15.0693 16.4164 16.4328 16.4893 16.4999 k = 0.2759 0.2759-0.0000 ( 4191 PWs) bands (ev): -30.6895 -30.6895 -15.5503 -15.5503 -11.9356 -11.9316 -10.6758 -10.6743 -10.6182 -10.6152 -7.5267 -7.4266 -7.1893 -7.1793 -6.8941 -6.8179 -6.5348 -6.5185 -6.4676 -6.4607 -2.2459 -2.2362 -0.4698 -0.4658 -0.1425 -0.1273 4.5162 4.5205 4.8740 4.8793 5.5632 5.5640 5.6521 5.6789 5.8262 5.8293 6.0208 6.0365 6.2391 6.2488 6.3313 6.3373 6.7605 6.7679 7.3626 7.4015 7.4868 7.5057 7.6374 7.6676 8.0399 8.0478 8.2971 8.3118 8.5718 8.7211 8.9786 8.9791 9.0696 9.0944 9.1912 9.2073 9.3847 9.5034 10.3685 10.4500 10.4837 10.5173 10.6131 10.6358 11.2247 11.2651 11.6548 11.6989 12.8362 12.8626 14.8308 14.8336 15.0452 15.0480 16.3280 16.3382 16.4870 16.5299 k = 0.2672 0.2672-0.0000 ( 4189 PWs) bands (ev): -30.6902 -30.6902 -15.5559 -15.5559 -11.9309 -11.9269 -10.6618 -10.6593 -10.6217 -10.6197 -7.5468 -7.4465 -7.1859 -7.1757 -6.9061 -6.8293 -6.5359 -6.5212 -6.4698 -6.4636 -2.2325 -2.2236 -0.4569 -0.4537 -0.1153 -0.1020 4.5712 4.5753 4.9103 4.9162 5.5646 5.5658 5.6572 5.6846 5.9027 5.9050 5.9958 6.0014 6.2491 6.2521 6.3562 6.3642 6.7551 6.7625 7.3866 7.4244 7.5194 7.5360 7.6101 7.6368 8.0199 8.0279 8.2590 8.2760 8.5629 8.7145 8.9663 8.9668 9.0539 9.0812 9.1711 9.1868 9.3890 9.5066 10.3579 10.4339 10.4693 10.4980 10.5848 10.6089 11.1659 11.2077 11.6678 11.7112 12.7777 12.8050 14.8362 14.8378 15.0362 15.0375 16.2302 16.2387 16.3996 16.4278 k = 0.2586 0.2586-0.0000 ( 4189 PWs) bands (ev): -30.6910 -30.6909 -15.5615 -15.5615 -11.9263 -11.9223 -10.6505 -10.6455 -10.6223 -10.6221 -7.5677 -7.4679 -7.1827 -7.1724 -6.9170 -6.8402 -6.5361 -6.5229 -6.4717 -6.4661 -2.2199 -2.2118 -0.4442 -0.4419 -0.0899 -0.0783 4.6259 4.6298 4.9456 4.9523 5.5655 5.5672 5.6622 5.6901 5.9363 5.9564 5.9962 6.0124 6.2544 6.2552 6.3885 6.3965 6.7486 6.7558 7.4095 7.4449 7.5504 7.5573 7.5964 7.6117 8.0017 8.0091 8.2252 8.2440 8.5560 8.7089 8.9535 8.9540 9.0377 9.0674 9.1507 9.1659 9.3937 9.5098 10.3477 10.4160 10.4576 10.4789 10.5568 10.5822 11.1072 11.1503 11.6794 11.7222 12.7187 12.7469 14.8240 14.8243 15.0421 15.0423 16.1327 16.1406 16.2686 16.2842 k = 0.2500 0.2500-0.0000 ( 4193 PWs) bands (ev): -30.6917 -30.6917 -15.5673 -15.5673 -11.9218 -11.9178 -10.6457 -10.6380 -10.6180 -10.6154 -7.5895 -7.4906 -7.1798 -7.1695 -6.9269 -6.8505 -6.5353 -6.5236 -6.4733 -6.4683 -2.2080 -2.2006 -0.4319 -0.4301 -0.0664 -0.0565 4.6803 4.6837 4.9800 4.9876 5.5659 5.5679 5.6670 5.6954 5.9143 5.9269 6.0743 6.0864 6.2562 6.2592 6.4262 6.4331 6.7410 6.7480 7.4309 7.4609 7.5578 7.5754 7.5965 7.6091 7.9863 7.9919 8.1963 8.2162 8.5513 8.7046 8.9402 8.9408 9.0209 9.0531 9.1299 9.1446 9.3986 9.5131 10.3378 10.3966 10.4476 10.4601 10.5296 10.5562 11.0486 11.0930 11.6897 11.7317 12.6592 12.6882 14.7956 14.7961 15.0597 15.0610 16.0367 16.0445 16.1311 16.1411 k = 0.2414 0.2414-0.0000 ( 4189 PWs) bands (ev): -30.6924 -30.6924 -15.5730 -15.5730 -11.9174 -11.9135 -10.6465 -10.6389 -10.6049 -10.6025 -7.6119 -7.5145 -7.1773 -7.1670 -6.9358 -6.8603 -6.5335 -6.5232 -6.4745 -6.4701 -2.1967 -2.1903 -0.4198 -0.4186 -0.0451 -0.0368 4.7339 4.7367 5.0135 5.0222 5.5656 5.5678 5.6718 5.7008 5.8852 5.8937 6.1578 6.1697 6.2577 6.2628 6.4682 6.4734 6.7323 6.7391 7.4498 7.4698 7.5570 7.5741 7.6115 7.6305 7.9747 7.9767 8.1726 8.1928 8.5487 8.7017 8.9265 8.9273 9.0037 9.0381 9.1090 9.1229 9.4037 9.5164 10.3277 10.3762 10.4379 10.4415 10.5046 10.5317 10.9904 11.0360 11.6987 11.7399 12.5994 12.6291 14.7568 14.7576 15.0852 15.0871 15.9414 15.9502 15.9947 16.0004 k = 0.2328 0.2328-0.0000 ( 4193 PWs) bands (ev): -30.6931 -30.6931 -15.5788 -15.5788 -11.9132 -11.9093 -10.6492 -10.6419 -10.5891 -10.5872 -7.6351 -7.5396 -7.1751 -7.1649 -6.9437 -6.8696 -6.5308 -6.5217 -6.4755 -6.4716 -2.1863 -2.1806 -0.4079 -0.4071 -0.0262 -0.0194 4.7864 4.7884 5.0461 5.0561 5.5645 5.5669 5.6767 5.7061 5.8556 5.8613 6.2364 6.2556 6.2593 6.2720 6.5138 6.5169 6.7226 6.7292 7.4653 7.4717 7.5650 7.5698 7.6333 7.6490 7.9644 7.9682 8.1545 8.1739 8.5486 8.7003 8.9126 8.9135 8.9861 9.0227 9.0879 9.1008 9.4089 9.5195 10.3167 10.3547 10.4231 10.4264 10.4839 10.5092 10.9324 10.9793 11.7062 11.7466 12.5391 12.5696 14.7116 14.7124 15.1146 15.1168 15.8387 15.8518 15.8687 15.8697 k = 0.2241 0.2241-0.0000 ( 4191 PWs) bands (ev): -30.6938 -30.6938 -15.5846 -15.5846 -11.9091 -11.9053 -10.6523 -10.6452 -10.5725 -10.5709 -7.6588 -7.5656 -7.1733 -7.1632 -6.9507 -6.8783 -6.5270 -6.5190 -6.4761 -6.4727 -2.1767 -2.1718 -0.3962 -0.3957 -0.0098 -0.0045 4.8375 4.8385 5.0780 5.0894 5.5625 5.5650 5.6816 5.7114 5.8267 5.8301 6.2604 6.2606 6.3362 6.3430 6.5628 6.5632 6.7119 6.7184 7.4707 7.4772 7.5729 7.5792 7.6510 7.6619 7.9560 7.9679 8.1419 8.1594 8.5510 8.7005 8.8985 8.8997 8.9682 9.0068 9.0668 9.0785 9.4142 9.5227 10.3039 10.3318 10.4051 10.4112 10.4700 10.4897 10.8751 10.9231 11.7124 11.7520 12.4785 12.5097 14.6620 14.6627 15.1456 15.1479 15.7134 15.7225 15.7720 15.7733 k = 0.2155 0.2155-0.0000 ( 4195 PWs) bands (ev): -30.6945 -30.6945 -15.5904 -15.5904 -11.9052 -11.9015 -10.6554 -10.6483 -10.5556 -10.5542 -7.6831 -7.5924 -7.1718 -7.1619 -6.9569 -6.8864 -6.5223 -6.5154 -6.4764 -6.4734 -2.1678 -2.1638 -0.3847 -0.3845 0.0041 0.0081 4.8865 4.8869 5.1094 5.1225 5.5596 5.5621 5.6866 5.7168 5.7990 5.8003 6.2620 6.2637 6.4207 6.4308 6.6120 6.6149 6.7006 6.7072 7.4707 7.4867 7.5825 7.5960 7.6631 7.6685 7.9523 7.9740 8.1349 8.1493 8.5560 8.7023 8.8845 8.8860 8.9501 8.9906 9.0458 9.0560 9.4195 9.5256 10.2883 10.3070 10.3880 10.3929 10.4627 10.4738 10.8185 10.8676 11.7172 11.7559 12.4176 12.4495 14.6093 14.6097 15.1768 15.1791 15.5833 15.5902 15.6846 15.6866 k = 0.2069 0.2069-0.0000 ( 4193 PWs) bands (ev): -30.6952 -30.6952 -15.5961 -15.5961 -11.9015 -11.8979 -10.6583 -10.6512 -10.5385 -10.5373 -7.7077 -7.6200 -7.1706 -7.1611 -6.9623 -6.8940 -6.5167 -6.5107 -6.4764 -6.4738 -2.1598 -2.1566 -0.3735 -0.3734 0.0154 0.0181 4.9320 4.9340 5.1403 5.1553 5.5556 5.5580 5.6914 5.7224 5.7721 5.7730 6.2636 6.2657 6.5052 6.5182 6.6609 6.6691 6.6905 6.6983 7.4737 7.4960 7.5963 7.6134 7.6695 7.6696 7.9532 7.9857 8.1333 8.1435 8.5638 8.7058 8.8706 8.8724 8.9321 8.9743 9.0251 9.0336 9.4246 9.5283 10.2689 10.2799 10.3727 10.3740 10.4602 10.4617 10.7629 10.8132 11.7206 11.7584 12.3566 12.3892 14.5541 14.5542 15.2072 15.2094 15.4550 15.4608 15.6013 15.6033 k = 0.1983 0.1983-0.0000 ( 4193 PWs) bands (ev): -30.6959 -30.6959 -15.6018 -15.6018 -11.8980 -11.8945 -10.6608 -10.6538 -10.5213 -10.5203 -7.7326 -7.6480 -7.1698 -7.1607 -6.9671 -6.9011 -6.5103 -6.5051 -6.4760 -6.4737 -2.1526 -2.1502 -0.3625 -0.3625 0.0242 0.0258 4.9746 4.9784 5.1712 5.1881 5.5505 5.5527 5.6954 5.7279 5.7456 5.7496 6.2652 6.2675 6.5866 6.6035 6.6754 6.6758 6.7270 6.7329 7.4806 7.5072 7.6121 7.6302 7.6668 7.6710 7.9578 8.0009 8.1367 8.1420 8.5743 8.7107 8.8573 8.8594 8.9143 8.9578 9.0049 9.0113 9.4296 9.5308 10.2453 10.2504 10.3560 10.3594 10.4532 10.4608 10.7088 10.7602 11.7226 11.7595 12.2954 12.3286 14.4969 14.4970 15.2353 15.2372 15.3299 15.3349 15.5222 15.5240 k = 0.1897 0.1897-0.0000 ( 4193 PWs) bands (ev): -30.6966 -30.6966 -15.6074 -15.6074 -11.8947 -11.8913 -10.6631 -10.6560 -10.5042 -10.5032 -7.7577 -7.6765 -7.1693 -7.1607 -6.9712 -6.9077 -6.5030 -6.4985 -6.4754 -6.4734 -2.1462 -2.1446 -0.3518 -0.3518 0.0305 0.0312 5.0141 5.0197 5.2019 5.2209 5.5443 5.5463 5.6962 5.7201 5.7315 5.7345 6.2669 6.2691 6.6468 6.6599 6.6808 6.6897 6.7867 6.7985 7.4915 7.5214 7.6284 7.6442 7.6635 7.6693 7.9648 8.0174 8.1449 8.1452 8.5874 8.7164 8.8448 8.8470 8.8971 8.9416 8.9858 8.9894 9.4343 9.5330 10.2178 10.2187 10.3391 10.3477 10.4480 10.4637 10.6566 10.7092 11.7232 11.7592 12.2341 12.2679 14.4380 14.4385 15.2077 15.2115 15.2584 15.2606 15.4497 15.4512 k = 0.1810 0.1810-0.0000 ( 4183 PWs) bands (ev): -30.6972 -30.6972 -15.6129 -15.6129 -11.8916 -11.8883 -10.6650 -10.6579 -10.4870 -10.4862 -7.7829 -7.7051 -7.1691 -7.1611 -6.9747 -6.9139 -6.4951 -6.4913 -6.4744 -6.4726 -2.1406 -2.1397 -0.3414 -0.3414 0.0343 0.0345 5.0503 5.0575 5.2326 5.2533 5.5369 5.5387 5.6882 5.6978 5.7246 5.7405 6.2687 6.2707 6.6420 6.6481 6.7450 6.7625 6.8559 6.8707 7.5064 7.5390 7.6431 7.6473 7.6674 7.6692 7.9727 8.0330 8.1531 8.1570 8.6029 8.7223 8.8336 8.8354 8.8809 8.9256 8.9683 8.9686 9.4388 9.5348 10.1851 10.1874 10.3227 10.3368 10.4455 10.4686 10.6072 10.6612 11.7226 11.7576 12.1728 12.2073 14.3781 14.3789 15.0898 15.0934 15.2653 15.2668 15.3938 15.3952 k = 0.1724 0.1724-0.0000 ( 4167 PWs) bands (ev): -30.6979 -30.6979 -15.6183 -15.6183 -11.8887 -11.8856 -10.6665 -10.6595 -10.4700 -10.4692 -7.8080 -7.7337 -7.1692 -7.1618 -6.9778 -6.9196 -6.4867 -6.4834 -6.4729 -6.4713 -2.1359 -2.1357 -0.3315 -0.3313 0.0355 0.0364 5.0831 5.0919 5.2628 5.2848 5.5285 5.5300 5.6736 5.6777 5.7270 5.7469 6.2706 6.2723 6.6285 6.6337 6.8119 6.8296 6.9335 6.9488 7.5251 7.5599 7.6424 7.6505 7.6723 7.6826 7.9805 8.0462 8.1653 8.1721 8.6203 8.7268 8.8241 8.8247 8.8665 8.9101 8.9497 8.9535 9.4428 9.5363 10.1502 10.1546 10.3056 10.3253 10.4452 10.4752 10.5618 10.6175 11.7207 11.7547 12.1117 12.1466 14.3174 14.3185 14.9757 14.9789 15.2354 15.2361 15.3753 15.3769 k = 0.1638 0.1638-0.0000 ( 4171 PWs) bands (ev): -30.6985 -30.6985 -15.6236 -15.6236 -11.8861 -11.8831 -10.6677 -10.6608 -10.4532 -10.4525 -7.8329 -7.7623 -7.1696 -7.1629 -6.9805 -6.9249 -6.4782 -6.4757 -6.4705 -6.4693 -2.1323 -2.1319 -0.3219 -0.3216 0.0349 0.0364 5.1127 5.1227 5.2919 5.3147 5.5191 5.5203 5.6592 5.6605 5.7326 5.7535 6.2726 6.2739 6.6139 6.6186 6.8749 6.8910 7.0166 7.0310 7.5469 7.5836 7.6370 7.6497 7.6858 7.6970 7.9878 8.0567 8.1805 8.1888 8.6387 8.7281 8.8151 8.8163 8.8549 8.8947 8.9341 8.9426 9.4465 9.5373 10.1141 10.1200 10.2860 10.3114 10.4460 10.4834 10.5222 10.5803 11.7175 11.7505 12.0505 12.0860 14.2564 14.2577 14.8657 14.8686 15.1769 15.1771 15.3859 15.3873 k = 0.1552 0.1552-0.0000 ( 4187 PWs) bands (ev): -30.6991 -30.6991 -15.6288 -15.6287 -11.8836 -11.8808 -10.6686 -10.6617 -10.4367 -10.4361 -7.8575 -7.7905 -7.1703 -7.1642 -6.9827 -6.9299 -6.4719 -6.4714 -6.4644 -6.4638 -2.1297 -2.1287 -0.3129 -0.3124 0.0327 0.0346 5.1395 5.1502 5.3187 5.3418 5.5087 5.5097 5.6471 5.6477 5.7393 5.7604 6.2745 6.2755 6.5989 6.6034 6.9348 6.9489 7.1021 7.1153 7.5709 7.6090 7.6330 7.6485 7.7018 7.7117 7.9942 8.0647 8.1970 8.2058 8.6570 8.7250 8.8068 8.8085 8.8483 8.8792 8.9240 8.9375 9.4497 9.5378 10.0771 10.0841 10.2618 10.2928 10.4469 10.4902 10.4930 10.5525 11.7131 11.7450 11.9896 12.0256 14.1952 14.1968 14.7601 14.7627 15.1103 15.1105 15.4046 15.4058 k = 0.1466 0.1466-0.0000 ( 4191 PWs) bands (ev): -30.6997 -30.6997 -15.6337 -15.6337 -11.8814 -11.8787 -10.6692 -10.6624 -10.4205 -10.4199 -7.8816 -7.8184 -7.1712 -7.1658 -6.9846 -6.9345 -6.4691 -6.4688 -6.4556 -6.4546 -2.1278 -2.1262 -0.3045 -0.3037 0.0292 0.0315 5.1635 5.1748 5.3420 5.3646 5.4977 5.4984 5.6383 5.6407 5.7467 5.7675 6.2765 6.2772 6.5837 6.5880 6.9924 7.0048 7.1880 7.2001 7.5959 7.6313 7.6313 7.6528 7.7193 7.7274 7.9998 8.0711 8.2131 8.2220 8.6731 8.7173 8.7985 8.8000 8.8478 8.8646 8.9209 8.9399 9.4523 9.5378 10.0395 10.0472 10.2316 10.2679 10.4475 10.4675 10.5040 10.5365 11.7076 11.7383 11.9292 11.9655 14.1343 14.1361 14.6590 14.6613 15.0425 15.0430 15.4247 15.4257 k = 0.1379 0.1379-0.0000 ( 4189 PWs) bands (ev): -30.7002 -30.7002 -15.6385 -15.6385 -11.8794 -11.8769 -10.6694 -10.6628 -10.4047 -10.4041 -7.9052 -7.8457 -7.1723 -7.1676 -6.9861 -6.9388 -6.4669 -6.4665 -6.4457 -6.4447 -2.1264 -2.1244 -0.2967 -0.2956 0.0247 0.0272 5.1853 5.1969 5.3603 5.3817 5.4861 5.4865 5.6349 5.6394 5.7545 5.7749 6.2785 6.2789 6.5686 6.5726 7.0479 7.0590 7.2727 7.2842 7.6185 7.6341 7.6405 7.6720 7.7390 7.7450 8.0045 8.0762 8.2273 8.2360 8.6845 8.7065 8.7862 8.7944 8.8526 8.8537 8.9253 8.9504 9.4546 9.5374 10.0014 10.0096 10.1953 10.2358 10.4483 10.4541 10.5162 10.5318 11.7011 11.7305 11.8693 11.9059 14.0738 14.0758 14.5626 14.5647 14.9756 14.9763 15.4443 15.4451 k = 0.1293 0.1293-0.0000 ( 4181 PWs) bands (ev): -30.7008 -30.7008 -15.6431 -15.6431 -11.8776 -11.8752 -10.6694 -10.6629 -10.3893 -10.3888 -7.9280 -7.8723 -7.1736 -7.1696 -6.9874 -6.9428 -6.4647 -6.4643 -6.4353 -6.4345 -2.1257 -2.1233 -0.2897 -0.2882 0.0195 0.0221 5.2050 5.2168 5.3727 5.3925 5.4742 5.4742 5.6378 5.6444 5.7626 5.7824 6.2806 6.2806 6.5535 6.5574 7.1016 7.1117 7.3552 7.3663 7.6296 7.6450 7.6498 7.6960 7.7623 7.7658 8.0084 8.0802 8.2386 8.2472 8.6889 8.6937 8.7730 8.7880 8.8511 8.8616 8.9372 8.9680 9.4562 9.5364 9.9629 9.9714 10.1539 10.1976 10.4488 10.4512 10.5296 10.5357 11.6935 11.7213 11.8104 11.8469 14.0142 14.0163 14.4711 14.4730 14.9103 14.9113 15.4626 15.4631 k = 0.1207 0.1207-0.0000 ( 4177 PWs) bands (ev): -30.7013 -30.7013 -15.6475 -15.6475 -11.8760 -11.8738 -10.6692 -10.6629 -10.3744 -10.3740 -7.9500 -7.8980 -7.1751 -7.1716 -6.9884 -6.9466 -6.4624 -6.4621 -6.4248 -6.4242 -2.1254 -2.1227 -0.2834 -0.2816 0.0138 0.0163 5.2228 5.2348 5.3788 5.3969 5.4618 5.4621 5.6466 5.6553 5.7709 5.7900 6.2823 6.2826 6.5386 6.5424 7.1532 7.1629 7.4339 7.4455 7.6364 7.6507 7.6703 7.7180 7.7899 7.7903 8.0113 8.0833 8.2462 8.2548 8.6802 8.6866 8.7597 8.7783 8.8600 8.8745 8.9561 8.9912 9.4574 9.5349 9.9243 9.9329 10.1090 10.1549 10.4502 10.4572 10.5440 10.5451 11.6846 11.7093 11.7541 11.7891 13.9557 13.9579 14.3846 14.3862 14.8472 14.8484 15.4794 15.4797 k = 0.1121 0.1121-0.0000 ( 4179 PWs) bands (ev): -30.7018 -30.7018 -15.6517 -15.6517 -11.8746 -11.8725 -10.6687 -10.6627 -10.3602 -10.3599 -7.9710 -7.9228 -7.1766 -7.1738 -6.9891 -6.9502 -6.4601 -6.4599 -6.4143 -6.4139 -2.1256 -2.1227 -0.2780 -0.2758 0.0079 0.0103 5.2389 5.2510 5.3796 5.3962 5.4493 5.4499 5.6602 5.6706 5.7794 5.7978 6.2840 6.2845 6.5241 6.5277 7.2028 7.2123 7.5063 7.5201 7.6460 7.6586 7.6901 7.7379 7.8184 7.8211 8.0134 8.0856 8.2500 8.2586 8.6666 8.6796 8.7472 8.7664 8.8782 8.8915 8.9809 9.0184 9.4581 9.5328 9.8857 9.8942 10.0618 10.1092 10.4568 10.4665 10.5578 10.5591 11.6732 11.6811 11.7141 11.7338 13.8986 13.9009 14.3032 14.3047 14.7867 14.7880 15.4944 15.4946 k = 0.1034 0.1034-0.0000 ( 4177 PWs) bands (ev): -30.7022 -30.7022 -15.6556 -15.6556 -11.8733 -11.8714 -10.6680 -10.6623 -10.3466 -10.3463 -7.9910 -7.9465 -7.1783 -7.1760 -6.9896 -6.9535 -6.4578 -6.4576 -6.4040 -6.4038 -2.1262 -2.1231 -0.2734 -0.2709 0.0021 0.0043 5.2535 5.2657 5.3764 5.3919 5.4368 5.4378 5.6773 5.6887 5.7880 5.8056 6.2858 6.2864 6.5100 6.5135 7.2501 7.2598 7.5679 7.5881 7.6604 7.6691 7.7117 7.7577 7.8489 7.8542 8.0146 8.0872 8.2498 8.2587 8.6539 8.6703 8.7361 8.7543 8.9025 8.9125 9.0104 9.0483 9.4582 9.5302 9.8471 9.8555 10.0134 10.0618 10.4676 10.4789 10.5729 10.5749 11.6293 11.6516 11.6891 11.6981 13.8433 13.8456 14.2272 14.2285 14.7290 14.7303 15.5079 15.5079 k = 0.0948 0.0948-0.0000 ( 4177 PWs) bands (ev): -30.7026 -30.7026 -15.6592 -15.6592 -11.8722 -11.8705 -10.6672 -10.6618 -10.3338 -10.3336 -8.0097 -7.9689 -7.1800 -7.1781 -6.9899 -6.9566 -6.4555 -6.4554 -6.3941 -6.3939 -2.1271 -2.1239 -0.2697 -0.2669 -0.0035 -0.0016 5.2665 5.2790 5.3705 5.3854 5.4247 5.4259 5.6961 5.7081 5.7967 5.8134 6.2875 6.2883 6.4964 6.4998 7.2947 7.3051 7.6118 7.6456 7.6795 7.6832 7.7420 7.7803 7.8799 7.8873 8.0151 8.0882 8.2462 8.2553 8.6428 8.6605 8.7266 8.7432 8.9309 8.9373 9.0430 9.0798 9.4579 9.5271 9.8089 9.8169 9.9643 10.0133 10.4819 10.4939 10.5896 10.5911 11.5743 11.6070 11.6682 11.6862 13.7902 13.7924 14.1567 14.1578 14.6744 14.6758 15.5195 15.5196 k = 0.0862 0.0862-0.0000 ( 4181 PWs) bands (ev): -30.7030 -30.7030 -15.6626 -15.6626 -11.8712 -11.8697 -10.6663 -10.6613 -10.3218 -10.3216 -8.0271 -7.9900 -7.1817 -7.1802 -6.9899 -6.9596 -6.4533 -6.4532 -6.3845 -6.3844 -2.1283 -2.1251 -0.2668 -0.2638 -0.0087 -0.0071 5.2781 5.2909 5.3631 5.3779 5.4130 5.4144 5.7153 5.7274 5.8055 5.8211 6.2891 6.2901 6.4835 6.4867 7.3364 7.3479 7.6388 7.6839 7.6984 7.7058 7.7853 7.8086 7.9098 7.9196 8.0149 8.0885 8.2396 8.2490 8.6341 8.6515 8.7190 8.7337 8.9622 8.9655 9.0778 9.1121 9.4572 9.5235 9.7712 9.7788 9.9150 9.9643 10.4991 10.5112 10.6073 10.6075 11.5197 11.5545 11.6562 11.6749 13.7395 13.7416 14.0917 14.0928 14.6232 14.6246 15.5297 15.5298 k = 0.0776 0.0776-0.0000 ( 4183 PWs) bands (ev): -30.7034 -30.7034 -15.6657 -15.6657 -11.8704 -11.8690 -10.6654 -10.6607 -10.3107 -10.3105 -8.0430 -8.0097 -7.1833 -7.1823 -6.9898 -6.9624 -6.4512 -6.4511 -6.3754 -6.3754 -2.1296 -2.1264 -0.2648 -0.2616 -0.0134 -0.0121 5.2881 5.3016 5.3551 5.3701 5.4020 5.4034 5.7341 5.7457 5.8144 5.8288 6.2907 6.2918 6.4713 6.4744 7.3748 7.3876 7.6577 7.7053 7.7146 7.7340 7.8349 7.8419 7.9370 7.9503 8.0145 8.0883 8.2310 8.2404 8.6284 8.6445 8.7132 8.7261 8.9956 8.9965 9.1135 9.1441 9.4562 9.5193 9.7344 9.7415 9.8659 9.9153 10.5188 10.5303 10.6238 10.6256 11.4665 11.5017 11.6461 11.6638 13.6917 13.6938 14.0325 14.0334 14.5757 14.5771 15.5383 15.5386 k = 0.0690 0.0690-0.0000 ( 4191 PWs) bands (ev): -30.7037 -30.7037 -15.6685 -15.6685 -11.8697 -11.8685 -10.6644 -10.6601 -10.3005 -10.3004 -8.0574 -8.0278 -7.1849 -7.1842 -6.9895 -6.9650 -6.4492 -6.4491 -6.3671 -6.3670 -2.1309 -2.1279 -0.2634 -0.2602 -0.0174 -0.0164 5.2964 5.3111 5.3470 5.3629 5.3917 5.3932 5.7517 5.7624 5.8234 5.8364 6.2923 6.2933 6.4600 6.4629 7.4097 7.4239 7.6741 7.7244 7.7300 7.7571 7.8740 7.8831 7.9602 7.9790 8.0149 8.0875 8.2214 8.2305 8.6262 8.6401 8.7092 8.7206 9.0297 9.0303 9.1493 9.1753 9.4551 9.5146 9.6987 9.7053 9.8172 9.8663 10.5403 10.5506 10.6397 10.6441 11.4152 11.4501 11.6368 11.6531 13.6473 13.6492 13.9792 13.9800 14.5322 14.5336 15.5457 15.5460 k = 0.0603 0.0603-0.0000 ( 4201 PWs) bands (ev): -30.7040 -30.7040 -15.6710 -15.6710 -11.8691 -11.8680 -10.6633 -10.6596 -10.2914 -10.2913 -8.0701 -8.0442 -7.1865 -7.1859 -6.9890 -6.9675 -6.4474 -6.4473 -6.3594 -6.3593 -2.1323 -2.1296 -0.2627 -0.2595 -0.0208 -0.0201 5.3029 5.3193 5.3392 5.3567 5.3824 5.3839 5.7675 5.7770 5.8325 5.8437 6.2938 6.2948 6.4497 6.4524 7.4407 7.4562 7.6898 7.7441 7.7458 7.7763 7.8987 7.9254 7.9786 8.0009 8.0215 8.0860 8.2122 8.2202 8.6277 8.6388 8.7070 8.7169 9.0646 9.0657 9.1845 9.2048 9.4539 9.5095 9.6646 9.6706 9.7693 9.8179 10.5632 10.5717 10.6549 10.6625 11.3663 11.4004 11.6282 11.6429 13.6066 13.6084 13.9319 13.9325 14.4931 14.4943 15.5518 15.5521 k = 0.0517 0.0517-0.0000 ( 4205 PWs) bands (ev): -30.7042 -30.7042 -15.6732 -15.6732 -11.8686 -11.8677 -10.6624 -10.6591 -10.2833 -10.2833 -8.0811 -8.0589 -7.1878 -7.1875 -6.9884 -6.9699 -6.4457 -6.4457 -6.3526 -6.3524 -2.1337 -2.1312 -0.2624 -0.2594 -0.0236 -0.0232 5.3074 5.3260 5.3324 5.3521 5.3741 5.3757 5.7813 5.7892 5.8414 5.8508 6.2951 6.2961 6.4405 6.4429 7.4676 7.4837 7.7061 7.7626 7.7646 7.7935 7.9132 7.9589 7.9919 8.0067 8.0426 8.0841 8.2047 8.2105 8.6324 8.6405 8.7065 8.7152 9.1005 9.1009 9.2187 9.2319 9.4531 9.5039 9.6327 9.6380 9.7227 9.7703 10.5869 10.5928 10.6693 10.6803 11.3206 11.3533 11.6205 11.6333 13.5702 13.5718 13.8906 13.8912 14.4585 14.4596 15.5568 15.5571 k = 0.0431 0.0431-0.0000 ( 4195 PWs) bands (ev): -30.7045 -30.7045 -15.6750 -15.6750 -11.8682 -11.8674 -10.6614 -10.6586 -10.2764 -10.2764 -8.0902 -8.0717 -7.1891 -7.1889 -6.9876 -6.9721 -6.4443 -6.4442 -6.3466 -6.3465 -2.1349 -2.1327 -0.2624 -0.2597 -0.0258 -0.0255 5.3096 5.3250 5.3328 5.3493 5.3671 5.3687 5.7928 5.7991 5.8500 5.8574 6.2964 6.2972 6.4326 6.4346 7.4904 7.5063 7.7234 7.7804 7.7855 7.8096 7.9186 7.9809 8.0002 8.0071 8.0651 8.0831 8.2002 8.2030 8.6395 8.6447 8.7077 8.7153 9.1351 9.1366 9.2512 9.2560 9.4530 9.4979 9.6036 9.6083 9.6779 9.7239 10.6103 10.6131 10.6827 10.6971 11.2789 11.3094 11.6138 11.6247 13.5385 13.5398 13.8555 13.8560 14.4287 14.4297 15.5608 15.5611 k = 0.0345 0.0345-0.0000 ( 4201 PWs) bands (ev): -30.7046 -30.7046 -15.6766 -15.6766 -11.8679 -11.8672 -10.6605 -10.6583 -10.2707 -10.2706 -8.0975 -8.0827 -7.1901 -7.1900 -6.9866 -6.9743 -6.4431 -6.4430 -6.3416 -6.3415 -2.1359 -2.1341 -0.2626 -0.2603 -0.0275 -0.0274 5.3101 5.3198 5.3372 5.3480 5.3615 5.3631 5.8021 5.8068 5.8577 5.8633 6.2974 6.2982 6.4259 6.4276 7.5090 7.5235 7.7420 7.7984 7.8057 7.8240 7.9182 7.9909 8.0023 8.0056 8.0822 8.0844 8.1988 8.1989 8.6472 8.6501 8.7104 8.7169 9.1672 9.1716 9.2767 9.2816 9.4540 9.4917 9.5780 9.5820 9.6357 9.6790 10.6318 10.6322 10.6953 10.7121 11.2422 11.2695 11.6082 11.6170 13.5119 13.5130 13.8267 13.8271 14.4040 14.4048 15.5639 15.5641 k = 0.0259 0.0259-0.0000 ( 4199 PWs) bands (ev): -30.7048 -30.7048 -15.6778 -15.6778 -11.8676 -11.8671 -10.6598 -10.6581 -10.2662 -10.2662 -8.1028 -8.0917 -7.1910 -7.1909 -6.9855 -6.9762 -6.4421 -6.4421 -6.3377 -6.3376 -2.1367 -2.1353 -0.2628 -0.2610 -0.0288 -0.0287 5.3095 5.3154 5.3403 5.3471 5.3578 5.3590 5.8092 5.8124 5.8643 5.8682 6.2983 6.2989 6.4207 6.4220 7.5238 7.5357 7.7617 7.8156 7.8235 7.8353 7.9164 7.9899 7.9997 8.0028 8.0878 8.0923 8.1988 8.2002 8.6542 8.6554 8.7146 8.7197 9.1957 9.2036 9.2943 9.3086 9.4565 9.4856 9.5568 9.5603 9.5977 9.6366 10.6478 10.6508 10.7072 10.7247 11.2121 11.2348 11.6039 11.6107 13.4908 13.4916 13.8042 13.8045 14.3846 14.3852 15.5662 15.5664 k = 0.0172 0.0172-0.0000 ( 4203 PWs) bands (ev): -30.7049 -30.7049 -15.6786 -15.6786 -11.8674 -11.8671 -10.6592 -10.6580 -10.2629 -10.2629 -8.1061 -8.0987 -7.1916 -7.1916 -6.9843 -6.9781 -6.4414 -6.4414 -6.3348 -6.3348 -2.1372 -2.1363 -0.2630 -0.2617 -0.0296 -0.0296 5.3086 5.3120 5.3422 5.3460 5.3560 5.3566 5.8143 5.8163 5.8693 5.8717 6.2990 6.2994 6.4169 6.4179 7.5347 7.5432 7.7818 7.8310 7.8345 7.8425 7.9184 7.9779 7.9980 7.9994 8.0914 8.0964 8.2014 8.2028 8.6593 8.6597 8.7192 8.7227 9.2193 9.2289 9.3100 9.3298 9.4609 9.4805 9.5408 9.5438 9.5669 9.5981 10.6605 10.6643 10.7186 10.7334 11.1901 11.2067 11.6011 11.6056 13.4755 13.4760 13.7882 13.7883 14.3707 14.3711 15.5678 15.5679 k = 0.0086 0.0086-0.0000 ( 4207 PWs) bands (ev): -30.7049 -30.7049 -15.6792 -15.6792 -11.8672 -11.8671 -10.6586 -10.6581 -10.2610 -10.2610 -8.1073 -8.1036 -7.1920 -7.1920 -6.9829 -6.9798 -6.4410 -6.4410 -6.3331 -6.3330 -2.1375 -2.1370 -0.2630 -0.2623 -0.0301 -0.0301 5.3082 5.3098 5.3431 5.3447 5.3554 5.3556 5.8174 5.8184 5.8726 5.8738 6.2995 6.2997 6.4148 6.4152 7.5422 7.5465 7.8012 7.8311 7.8426 7.8485 7.9279 7.9611 7.9964 7.9967 8.0940 8.0970 8.2043 8.2051 8.6623 8.6624 8.7231 8.7249 9.2364 9.2433 9.3254 9.3405 9.4668 9.4770 9.5312 9.5334 9.5480 9.5664 10.6691 10.6716 10.7287 10.7373 11.1781 11.1869 11.5999 11.6021 13.4662 13.4665 13.7785 13.7786 14.3623 14.3625 15.5687 15.5688 k = 0.0000 0.0000 0.0000 ( 4207 PWs) bands (ev): -30.7049 -30.7049 -15.6793 -15.6793 -11.8671 -11.8671 -10.6583 -10.6583 -10.2603 -10.2603 -8.1065 -8.1065 -7.1921 -7.1921 -6.9814 -6.9814 -6.4408 -6.4408 -6.3325 -6.3325 -2.1374 -2.1374 -0.2628 -0.2628 -0.0303 -0.0303 5.3085 5.3085 5.3437 5.3437 5.3553 5.3553 5.8188 5.8188 5.8741 5.8741 6.2997 6.2997 6.4142 6.4142 7.5461 7.5461 7.8185 7.8185 7.8489 7.8489 7.9434 7.9434 7.9956 7.9956 8.0959 8.0959 8.2058 8.2058 8.6633 8.6633 8.7251 8.7251 9.2452 9.2452 9.3379 9.3379 9.4729 9.4729 9.5292 9.5292 9.5472 9.5472 10.6730 10.6730 10.7355 10.7355 11.1770 11.1770 11.6002 11.6002 13.4632 13.4632 13.7753 13.7753 14.3595 14.3595 15.5691 15.5691 k = 0.0000 0.0000 0.0000 ( 4207 PWs) bands (ev): -30.7049 -30.7049 -15.6793 -15.6793 -11.8671 -11.8671 -10.6583 -10.6583 -10.2603 -10.2603 -8.1065 -8.1065 -7.1921 -7.1921 -6.9814 -6.9814 -6.4408 -6.4408 -6.3325 -6.3325 -2.1374 -2.1374 -0.2628 -0.2628 -0.0303 -0.0303 5.3085 5.3085 5.3437 5.3437 5.3553 5.3553 5.8188 5.8188 5.8741 5.8741 6.2997 6.2997 6.4142 6.4142 7.5461 7.5461 7.8185 7.8185 7.8489 7.8489 7.9434 7.9434 7.9956 7.9956 8.0959 8.0959 8.2058 8.2058 8.6633 8.6633 8.7251 8.7251 9.2452 9.2452 9.3379 9.3379 9.4729 9.4729 9.5292 9.5292 9.5472 9.5472 10.6730 10.6730 10.7355 10.7355 11.1770 11.1770 11.6002 11.6002 13.4632 13.4632 13.7753 13.7753 14.3595 14.3595 15.5691 15.5691 k = 0.0000 0.0000 0.0120 ( 4207 PWs) bands (ev): -30.7049 -30.7049 -15.6793 -15.6793 -11.8671 -11.8671 -10.6582 -10.6582 -10.2603 -10.2603 -8.1068 -8.1068 -7.1921 -7.1921 -6.9813 -6.9813 -6.4408 -6.4408 -6.3323 -6.3323 -2.1375 -2.1375 -0.2629 -0.2629 -0.0303 -0.0303 5.3097 5.3097 5.3442 5.3442 5.3556 5.3556 5.8186 5.8186 5.8739 5.8739 6.2995 6.2995 6.4146 6.4146 7.5446 7.5446 7.8183 7.8183 7.8490 7.8490 7.9434 7.9434 7.9955 7.9955 8.0959 8.0959 8.2056 8.2056 8.6626 8.6626 8.7245 8.7245 9.2455 9.2455 9.3382 9.3382 9.4732 9.4732 9.5292 9.5292 9.5470 9.5470 10.6730 10.6730 10.7355 10.7355 11.1769 11.1769 11.6000 11.6000 13.4645 13.4645 13.7769 13.7769 14.3626 14.3626 15.5691 15.5691 k = 0.0000 0.0000 0.0241 ( 4199 PWs) bands (ev): -30.7049 -30.7049 -15.6794 -15.6794 -11.8670 -11.8670 -10.6581 -10.6581 -10.2603 -10.2603 -8.1077 -8.1077 -7.1921 -7.1921 -6.9810 -6.9810 -6.4408 -6.4408 -6.3317 -6.3317 -2.1377 -2.1377 -0.2635 -0.2635 -0.0303 -0.0303 5.3132 5.3132 5.3458 5.3458 5.3565 5.3565 5.8182 5.8182 5.8734 5.8734 6.2989 6.2989 6.4157 6.4157 7.5400 7.5400 7.8178 7.8178 7.8495 7.8495 7.9434 7.9434 7.9951 7.9951 8.0958 8.0958 8.2051 8.2051 8.6604 8.6604 8.7226 8.7226 9.2464 9.2464 9.3391 9.3391 9.4742 9.4742 9.5291 9.5291 9.5462 9.5462 10.6730 10.6730 10.7356 10.7356 11.1767 11.1767 11.5994 11.5994 13.4684 13.4684 13.7815 13.7815 14.3717 14.3717 15.5691 15.5691 k = 0.0000 0.0000 0.0361 ( 4191 PWs) bands (ev): -30.7049 -30.7049 -15.6794 -15.6794 -11.8668 -11.8668 -10.6578 -10.6578 -10.2603 -10.2603 -8.1091 -8.1091 -7.1921 -7.1921 -6.9805 -6.9805 -6.4409 -6.4409 -6.3308 -6.3308 -2.1381 -2.1381 -0.2644 -0.2644 -0.0304 -0.0304 5.3186 5.3186 5.3486 5.3486 5.3580 5.3580 5.8175 5.8175 5.8726 5.8726 6.2980 6.2980 6.4176 6.4176 7.5325 7.5325 7.8170 7.8170 7.8502 7.8502 7.9434 7.9434 7.9945 7.9945 8.0957 8.0957 8.2042 8.2042 8.6569 8.6569 8.7196 8.7196 9.2479 9.2479 9.3405 9.3405 9.4759 9.4759 9.5290 9.5290 9.5449 9.5449 10.6731 10.6731 10.7356 10.7356 11.1762 11.1762 11.5985 11.5985 13.4747 13.4747 13.7890 13.7890 14.3869 14.3869 15.5691 15.5691 k = 0.0000 0.0000 0.0482 ( 4191 PWs) bands (ev): -30.7049 -30.7049 -15.6794 -15.6794 -11.8666 -11.8666 -10.6575 -10.6575 -10.2603 -10.2603 -8.1111 -8.1111 -7.1920 -7.1920 -6.9799 -6.9799 -6.4409 -6.4409 -6.3295 -6.3295 -2.1387 -2.1387 -0.2657 -0.2657 -0.0305 -0.0305 5.3251 5.3251 5.3533 5.3533 5.3600 5.3600 5.8166 5.8166 5.8714 5.8714 6.2967 6.2967 6.4202 6.4202 7.5220 7.5220 7.8158 7.8158 7.8512 7.8512 7.9434 7.9434 7.9938 7.9938 8.0956 8.0956 8.2029 8.2029 8.6520 8.6520 8.7154 8.7154 9.2499 9.2499 9.3425 9.3425 9.4781 9.4781 9.5288 9.5288 9.5431 9.5431 10.6731 10.6731 10.7357 10.7357 11.1757 11.1757 11.5971 11.5971 13.4834 13.4834 13.7994 13.7994 14.4080 14.4080 15.5690 15.5690 k = 0.0000 0.0000 0.0602 ( 4179 PWs) bands (ev): -30.7049 -30.7049 -15.6795 -15.6795 -11.8664 -11.8664 -10.6571 -10.6571 -10.2603 -10.2603 -8.1136 -8.1136 -7.1920 -7.1920 -6.9790 -6.9790 -6.4410 -6.4410 -6.3279 -6.3279 -2.1394 -2.1394 -0.2673 -0.2673 -0.0306 -0.0306 5.3318 5.3318 5.3609 5.3609 5.3625 5.3625 5.8154 5.8154 5.8700 5.8700 6.2951 6.2951 6.4234 6.4234 7.5088 7.5088 7.8143 7.8143 7.8526 7.8526 7.9433 7.9433 7.9931 7.9931 8.0955 8.0955 8.2013 8.2013 8.6460 8.6460 8.7102 8.7102 9.2524 9.2524 9.3449 9.3449 9.4809 9.4809 9.5285 9.5285 9.5410 9.5410 10.6732 10.6732 10.7359 10.7359 11.1750 11.1750 11.5954 11.5954 13.4944 13.4944 13.8124 13.8124 14.4349 14.4349 15.5690 15.5690 k = 0.0000 0.0000 0.0722 ( 4163 PWs) bands (ev): -30.7049 -30.7049 -15.6796 -15.6796 -11.8661 -11.8661 -10.6566 -10.6566 -10.2603 -10.2603 -8.1165 -8.1165 -7.1920 -7.1920 -6.9780 -6.9780 -6.4410 -6.4410 -6.3260 -6.3260 -2.1402 -2.1402 -0.2691 -0.2691 -0.0308 -0.0308 5.3377 5.3377 5.3655 5.3655 5.3720 5.3720 5.8139 5.8139 5.8682 5.8682 6.2932 6.2932 6.4272 6.4272 7.4931 7.4931 7.8124 7.8124 7.8541 7.8541 7.9432 7.9432 7.9924 7.9924 8.0954 8.0954 8.1994 8.1994 8.6390 8.6390 8.7042 8.7042 9.2553 9.2553 9.3477 9.3477 9.4843 9.4843 9.5281 9.5281 9.5388 9.5388 10.6733 10.6733 10.7360 10.7360 11.1742 11.1742 11.5934 11.5934 13.5075 13.5075 13.8278 13.8278 14.4675 14.4675 15.5690 15.5690 k = 0.0000 0.0000 0.0843 ( 4163 PWs) bands (ev): -30.7049 -30.7049 -15.6797 -15.6797 -11.8657 -11.8657 -10.6561 -10.6561 -10.2603 -10.2603 -8.1197 -8.1197 -7.1919 -7.1919 -6.9769 -6.9769 -6.4411 -6.4411 -6.3239 -6.3239 -2.1411 -2.1411 -0.2712 -0.2712 -0.0309 -0.0309 5.3426 5.3426 5.3689 5.3689 5.3864 5.3864 5.8123 5.8123 5.8662 5.8662 6.2911 6.2911 6.4316 6.4316 7.4750 7.4750 7.8100 7.8100 7.8558 7.8558 7.9429 7.9429 7.9919 7.9919 8.0952 8.0952 8.1971 8.1971 8.6311 8.6311 8.6975 8.6975 9.2585 9.2585 9.3507 9.3507 9.4881 9.4881 9.5272 9.5272 9.5366 9.5366 10.6733 10.6733 10.7361 10.7361 11.1733 11.1733 11.5910 11.5910 13.5226 13.5226 13.8451 13.8451 14.5056 14.5056 15.5690 15.5690 k = 0.0000 0.0000 0.0963 ( 4155 PWs) bands (ev): -30.7049 -30.7049 -15.6798 -15.6798 -11.8654 -11.8654 -10.6555 -10.6555 -10.2603 -10.2603 -8.1233 -8.1233 -7.1919 -7.1919 -6.9757 -6.9757 -6.4411 -6.4411 -6.3216 -6.3216 -2.1422 -2.1422 -0.2735 -0.2735 -0.0311 -0.0311 5.3470 5.3470 5.3727 5.3727 5.4035 5.4035 5.8105 5.8105 5.8640 5.8640 6.2888 6.2888 6.4364 6.4364 7.4550 7.4550 7.8072 7.8072 7.8577 7.8577 7.9426 7.9426 7.9917 7.9917 8.0951 8.0951 8.1945 8.1945 8.6226 8.6226 8.6903 8.6903 9.2619 9.2619 9.3540 9.3540 9.4923 9.4923 9.5256 9.5256 9.5348 9.5348 10.6734 10.6734 10.7363 10.7363 11.1723 11.1723 11.5885 11.5885 13.5393 13.5393 13.8641 13.8641 14.5490 14.5490 15.5689 15.5689 k = 0.0000 0.0000 0.1084 ( 4155 PWs) bands (ev): -30.7049 -30.7049 -15.6798 -15.6798 -11.8650 -11.8650 -10.6548 -10.6548 -10.2603 -10.2603 -8.1270 -8.1270 -7.1918 -7.1918 -6.9745 -6.9745 -6.4412 -6.4412 -6.3191 -6.3191 -2.1432 -2.1432 -0.2759 -0.2759 -0.0313 -0.0313 5.3511 5.3511 5.3767 5.3767 5.4225 5.4225 5.8085 5.8085 5.8616 5.8616 6.2865 6.2865 6.4415 6.4415 7.4333 7.4333 7.8040 7.8040 7.8598 7.8598 7.9422 7.9422 7.9918 7.9918 8.0950 8.0950 8.1916 8.1916 8.6136 8.6136 8.6827 8.6827 9.2654 9.2654 9.3573 9.3573 9.4968 9.4968 9.5234 9.5234 9.5335 9.5335 10.6735 10.6735 10.7365 10.7365 11.1713 11.1713 11.5857 11.5857 13.5574 13.5574 13.8844 13.8844 14.5975 14.5975 15.5689 15.5689 k = 0.0000 0.0000 0.1204 ( 4155 PWs) bands (ev): -30.7049 -30.7049 -15.6799 -15.6799 -11.8646 -11.8646 -10.6542 -10.6542 -10.2603 -10.2603 -8.1309 -8.1309 -7.1917 -7.1917 -6.9733 -6.9733 -6.4413 -6.4413 -6.3166 -6.3166 -2.1444 -2.1444 -0.2784 -0.2784 -0.0315 -0.0315 5.3551 5.3551 5.3809 5.3809 5.4428 5.4428 5.8065 5.8065 5.8591 5.8591 6.2841 6.2841 6.4468 6.4468 7.4103 7.4103 7.8004 7.8004 7.8619 7.8619 7.9417 7.9417 7.9924 7.9924 8.0949 8.0949 8.1885 8.1885 8.6043 8.6043 8.6750 8.6750 9.2690 9.2690 9.3607 9.3607 9.5016 9.5016 9.5206 9.5206 9.5327 9.5327 10.6736 10.6736 10.7366 10.7366 11.1702 11.1702 11.5828 11.5828 13.5767 13.5767 13.9055 13.9055 14.6507 14.6507 15.5689 15.5689 k = 0.0000 0.0000 0.1325 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6800 -15.6800 -11.8642 -11.8642 -10.6535 -10.6535 -10.2603 -10.2603 -8.1347 -8.1347 -7.1917 -7.1917 -6.9720 -6.9720 -6.4414 -6.4414 -6.3140 -6.3140 -2.1455 -2.1455 -0.2809 -0.2809 -0.0317 -0.0317 5.3589 5.3589 5.3852 5.3852 5.4641 5.4641 5.8044 5.8044 5.8565 5.8565 6.2818 6.2818 6.4523 6.4523 7.3865 7.3865 7.7965 7.7965 7.8641 7.8641 7.9411 7.9411 7.9933 7.9933 8.0948 8.0948 8.1851 8.1851 8.5950 8.5950 8.6672 8.6672 9.2726 9.2726 9.3639 9.3639 9.5065 9.5065 9.5175 9.5175 9.5322 9.5322 10.6736 10.6736 10.7368 10.7368 11.1692 11.1692 11.5798 11.5798 13.5966 13.5966 13.9270 13.9270 14.7083 14.7083 15.5688 15.5688 k = 0.0000 0.0000 0.1445 ( 4140 PWs) bands (ev): -30.7049 -30.7049 -15.6801 -15.6801 -11.8638 -11.8638 -10.6528 -10.6528 -10.2603 -10.2603 -8.1386 -8.1386 -7.1916 -7.1916 -6.9708 -6.9708 -6.4414 -6.4414 -6.3115 -6.3115 -2.1466 -2.1466 -0.2833 -0.2833 -0.0319 -0.0319 5.3627 5.3627 5.3895 5.3895 5.4857 5.4857 5.8023 5.8023 5.8539 5.8539 6.2796 6.2796 6.4578 6.4578 7.3625 7.3625 7.7924 7.7924 7.8664 7.8664 7.9405 7.9405 7.9947 7.9947 8.0948 8.0948 8.1816 8.1816 8.5858 8.5858 8.6597 8.6597 9.2761 9.2761 9.3672 9.3672 9.5114 9.5114 9.5144 9.5144 9.5319 9.5319 10.6738 10.6738 10.7370 10.7370 11.1682 11.1682 11.5768 11.5768 13.6169 13.6169 13.9483 13.9483 14.7699 14.7699 15.5688 15.5688 k = 0.0000 0.0000 0.1565 ( 4148 PWs) bands (ev): -30.7049 -30.7049 -15.6802 -15.6802 -11.8634 -11.8634 -10.6522 -10.6522 -10.2603 -10.2603 -8.1422 -8.1422 -7.1916 -7.1916 -6.9696 -6.9696 -6.4415 -6.4415 -6.3090 -6.3090 -2.1477 -2.1477 -0.2857 -0.2857 -0.0321 -0.0321 5.3662 5.3662 5.3938 5.3938 5.5071 5.5071 5.8002 5.8002 5.8513 5.8513 6.2775 6.2775 6.4631 6.4631 7.3386 7.3386 7.7881 7.7881 7.8685 7.8685 7.9399 7.9399 7.9964 7.9964 8.0948 8.0948 8.1780 8.1780 8.5769 8.5769 8.6525 8.6525 9.2794 9.2794 9.3701 9.3701 9.5112 9.5112 9.5162 9.5162 9.5317 9.5317 10.6739 10.6739 10.7372 10.7372 11.1673 11.1673 11.5738 11.5738 13.6370 13.6370 13.9691 13.9691 14.8351 14.8351 15.5687 15.5687 k = 0.0000 0.0000 0.1686 ( 4148 PWs) bands (ev): -30.7049 -30.7049 -15.6803 -15.6803 -11.8630 -11.8630 -10.6516 -10.6516 -10.2603 -10.2603 -8.1457 -8.1457 -7.1915 -7.1915 -6.9685 -6.9685 -6.4416 -6.4416 -6.3067 -6.3067 -2.1488 -2.1488 -0.2879 -0.2879 -0.0323 -0.0323 5.3696 5.3696 5.3978 5.3978 5.5277 5.5277 5.7982 5.7982 5.8488 5.8488 6.2756 6.2756 6.4682 6.4682 7.3155 7.3155 7.7839 7.7839 7.8706 7.8706 7.9393 7.9393 7.9984 7.9984 8.0948 8.0948 8.1744 8.1744 8.5686 8.5686 8.6458 8.6458 9.2824 9.2824 9.3729 9.3729 9.5083 9.5083 9.5208 9.5208 9.5316 9.5316 10.6740 10.6740 10.7373 10.7373 11.1664 11.1664 11.5710 11.5710 13.6564 13.6564 13.9888 13.9888 14.9031 14.9031 15.5687 15.5687 k = 0.0000 0.0000 0.1806 ( 4144 PWs) bands (ev): -30.7049 -30.7049 -15.6804 -15.6804 -11.8627 -11.8627 -10.6510 -10.6510 -10.2603 -10.2603 -8.1488 -8.1488 -7.1915 -7.1915 -6.9675 -6.9675 -6.4417 -6.4417 -6.3046 -6.3046 -2.1497 -2.1497 -0.2900 -0.2900 -0.0324 -0.0324 5.3727 5.3727 5.4015 5.4015 5.5471 5.5471 5.7964 5.7964 5.8465 5.8465 6.2740 6.2740 6.4729 6.4729 7.2939 7.2939 7.7798 7.7798 7.8725 7.8725 7.9388 7.9388 8.0005 8.0005 8.0948 8.0948 8.1710 8.1710 8.5609 8.5609 8.6397 8.6397 9.2852 9.2852 9.3753 9.3753 9.5056 9.5056 9.5251 9.5251 9.5315 9.5315 10.6740 10.6740 10.7375 10.7375 11.1656 11.1656 11.5684 11.5684 13.6748 13.6748 14.0070 14.0070 14.9732 14.9732 15.5686 15.5686 k = 0.0000 0.0000 0.1927 ( 4156 PWs) bands (ev): -30.7049 -30.7049 -15.6805 -15.6805 -11.8624 -11.8624 -10.6506 -10.6506 -10.2603 -10.2603 -8.1516 -8.1516 -7.1914 -7.1914 -6.9666 -6.9666 -6.4417 -6.4417 -6.3027 -6.3027 -2.1505 -2.1505 -0.2918 -0.2918 -0.0326 -0.0326 5.3755 5.3755 5.4049 5.4049 5.5647 5.5647 5.7947 5.7947 5.8444 5.8444 6.2725 6.2725 6.4771 6.4771 7.2741 7.2741 7.7761 7.7761 7.8742 7.8742 7.9383 7.9383 8.0026 8.0026 8.0949 8.0949 8.1677 8.1677 8.5542 8.5542 8.6343 8.6343 9.2876 9.2876 9.3774 9.3774 9.5032 9.5032 9.5289 9.5289 9.5314 9.5314 10.6741 10.6741 10.7375 10.7375 11.1649 11.1649 11.5660 11.5660 13.6914 13.6914 14.0233 14.0233 15.0441 15.0441 15.5686 15.5686 k = 0.0000 0.0000 0.2047 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6805 -15.6805 -11.8622 -11.8622 -10.6501 -10.6501 -10.2603 -10.2603 -8.1540 -8.1540 -7.1914 -7.1914 -6.9659 -6.9659 -6.4418 -6.4418 -6.3011 -6.3011 -2.1513 -2.1513 -0.2933 -0.2933 -0.0327 -0.0327 5.3778 5.3778 5.4078 5.4078 5.5799 5.5799 5.7932 5.7932 5.8426 5.8426 6.2714 6.2714 6.4807 6.4807 7.2571 7.2571 7.7728 7.7728 7.8757 7.8757 7.9380 7.9380 8.0046 8.0046 8.0949 8.0949 8.1647 8.1647 8.5484 8.5484 8.6298 8.6298 9.2896 9.2896 9.3792 9.3792 9.5012 9.5012 9.5314 9.5314 9.5321 9.5321 10.6741 10.6741 10.7376 10.7376 11.1643 11.1643 11.5640 11.5640 13.7059 13.7059 14.0372 14.0372 15.1141 15.1141 15.5686 15.5686 k = 0.0000 0.0000 0.2167 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6806 -15.6806 -11.8620 -11.8620 -10.6498 -10.6498 -10.2603 -10.2603 -8.1559 -8.1559 -7.1914 -7.1914 -6.9653 -6.9653 -6.4418 -6.4418 -6.2998 -6.2998 -2.1518 -2.1518 -0.2946 -0.2946 -0.0328 -0.0328 5.3797 5.3797 5.4101 5.4101 5.5923 5.5923 5.7921 5.7921 5.8411 5.8411 6.2705 6.2705 6.4836 6.4836 7.2431 7.2431 7.7700 7.7700 7.8770 7.8770 7.9377 7.9377 8.0064 8.0064 8.0949 8.0949 8.1623 8.1623 8.5438 8.5438 8.6262 8.6262 9.2912 9.2912 9.3805 9.3805 9.4996 9.4996 9.5314 9.5314 9.5348 9.5348 10.6741 10.6741 10.7377 10.7377 11.1638 11.1638 11.5624 11.5624 13.7177 13.7177 14.0483 14.0483 15.1805 15.1805 15.5685 15.5685 k = 0.0000 0.0000 0.2288 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6806 -15.6806 -11.8618 -11.8618 -10.6496 -10.6496 -10.2603 -10.2603 -8.1573 -8.1573 -7.1914 -7.1914 -6.9649 -6.9649 -6.4418 -6.4418 -6.2989 -6.2989 -2.1523 -2.1523 -0.2955 -0.2955 -0.0329 -0.0329 5.3811 5.3811 5.4118 5.4118 5.6015 5.6015 5.7912 5.7912 5.8400 5.8400 6.2699 6.2699 6.4858 6.4858 7.2328 7.2328 7.7680 7.7680 7.8779 7.8779 7.9375 7.9375 8.0077 8.0077 8.0950 8.0950 8.1604 8.1604 8.5404 8.5404 8.6236 8.6236 9.2924 9.2924 9.3815 9.3815 9.4985 9.4985 9.5313 9.5313 9.5367 9.5367 10.6742 10.6742 10.7377 10.7377 11.1635 11.1635 11.5612 11.5612 13.7265 13.7265 14.0565 14.0565 15.2385 15.2385 15.5685 15.5685 k = 0.0000 0.0000 0.2408 ( 4156 PWs) bands (ev): -30.7049 -30.7049 -15.6807 -15.6807 -11.8617 -11.8617 -10.6494 -10.6494 -10.2603 -10.2603 -8.1581 -8.1581 -7.1914 -7.1914 -6.9646 -6.9646 -6.4418 -6.4418 -6.2983 -6.2983 -2.1525 -2.1525 -0.2960 -0.2960 -0.0329 -0.0329 5.3819 5.3819 5.4129 5.4129 5.6072 5.6072 5.7907 5.7907 5.8394 5.8394 6.2696 6.2696 6.4871 6.4871 7.2264 7.2264 7.7668 7.7668 7.8784 7.8784 7.9374 7.9374 8.0086 8.0086 8.0950 8.0950 8.1592 8.1592 8.5384 8.5384 8.6220 8.6220 9.2931 9.2931 9.3821 9.3821 9.4977 9.4977 9.5313 9.5313 9.5380 9.5380 10.6742 10.6742 10.7378 10.7378 11.1632 11.1632 11.5606 11.5606 13.7320 13.7320 14.0615 14.0615 15.2805 15.2805 15.5685 15.5685 k = 0.0000 0.0000 0.2529 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6807 -15.6807 -11.8617 -11.8617 -10.6494 -10.6494 -10.2603 -10.2603 -8.1584 -8.1584 -7.1913 -7.1913 -6.9646 -6.9646 -6.4418 -6.4418 -6.2981 -6.2981 -2.1526 -2.1526 -0.2962 -0.2962 -0.0329 -0.0329 5.3822 5.3822 5.4132 5.4132 5.6091 5.6091 5.7905 5.7905 5.8391 5.8391 6.2694 6.2694 6.4875 6.4875 7.2243 7.2243 7.7663 7.7663 7.8786 7.8786 7.9373 7.9373 8.0089 8.0089 8.0950 8.0950 8.1589 8.1589 8.5377 8.5377 8.6215 8.6215 9.2933 9.2933 9.3823 9.3823 9.4975 9.4975 9.5313 9.5313 9.5384 9.5384 10.6742 10.6742 10.7378 10.7378 11.1632 11.1632 11.5603 11.5603 13.7338 13.7338 14.0632 14.0632 15.2964 15.2964 15.5685 15.5685 k = 0.0000 0.0000 0.2529 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6807 -15.6807 -11.8617 -11.8617 -10.6494 -10.6494 -10.2603 -10.2603 -8.1584 -8.1584 -7.1913 -7.1913 -6.9646 -6.9646 -6.4418 -6.4418 -6.2981 -6.2981 -2.1526 -2.1526 -0.2962 -0.2962 -0.0329 -0.0329 5.3822 5.3822 5.4132 5.4132 5.6091 5.6091 5.7905 5.7905 5.8391 5.8391 6.2694 6.2694 6.4875 6.4875 7.2243 7.2243 7.7663 7.7663 7.8786 7.8786 7.9373 7.9373 8.0089 8.0089 8.0950 8.0950 8.1589 8.1589 8.5377 8.5377 8.6215 8.6215 9.2933 9.2933 9.3823 9.3823 9.4975 9.4975 9.5313 9.5313 9.5384 9.5384 10.6742 10.6742 10.7378 10.7378 11.1632 11.1632 11.5603 11.5603 13.7338 13.7338 14.0632 14.0632 15.2964 15.2964 15.5685 15.5685 k = 0.0000 0.0122 0.2529 ( 4150 PWs) bands (ev): -30.7049 -30.7049 -15.6805 -15.6805 -11.8618 -11.8616 -10.6497 -10.6491 -10.2609 -10.2609 -8.1590 -8.1556 -7.1912 -7.1912 -6.9660 -6.9633 -6.4420 -6.4420 -6.2986 -6.2986 -2.1527 -2.1521 -0.2964 -0.2956 -0.0327 -0.0327 5.3807 5.3836 5.4130 5.4132 5.6058 5.6110 5.7891 5.7916 5.8383 5.8393 6.2691 6.2704 6.4874 6.4875 7.2203 7.2236 7.7579 7.7711 7.8712 7.8760 7.9417 7.9441 8.0006 8.0189 8.0915 8.0943 8.1542 8.1594 8.5358 8.5394 8.6203 8.6220 9.2801 9.2932 9.3681 9.3855 9.4934 9.5150 9.5308 9.5330 9.5389 9.5534 10.6692 10.6736 10.7311 10.7394 11.1643 11.1730 11.5588 11.5627 13.7355 13.7359 14.0661 14.0661 15.2975 15.3003 15.5682 15.5682 k = 0.0000 0.0244 0.2529 ( 4154 PWs) bands (ev): -30.7049 -30.7049 -15.6800 -15.6800 -11.8620 -11.8617 -10.6503 -10.6491 -10.2629 -10.2629 -8.1574 -8.1505 -7.1909 -7.1908 -6.9677 -6.9620 -6.4424 -6.4424 -6.3002 -6.3002 -2.1525 -2.1512 -0.2963 -0.2946 -0.0322 -0.0322 5.3787 5.3848 5.4126 5.4134 5.6011 5.6114 5.7873 5.7922 5.8370 5.8389 6.2694 6.2719 6.4872 6.4874 7.2118 7.2181 7.7474 7.7710 7.8602 7.8624 7.9535 7.9580 7.9971 8.0281 8.0837 8.0896 8.1455 8.1562 8.5332 8.5408 8.6183 8.6224 9.2534 9.2815 9.3563 9.3702 9.5143 9.5246 9.5301 9.5430 9.5500 9.5843 10.6566 10.6678 10.7228 10.7356 11.1763 11.1921 11.5582 11.5660 13.7411 13.7419 14.0745 14.0746 15.3036 15.3093 15.5673 15.5673 k = 0.0000 0.0366 0.2529 ( 4148 PWs) bands (ev): -30.7048 -30.7048 -15.6791 -15.6791 -11.8622 -11.8618 -10.6510 -10.6492 -10.2661 -10.2661 -8.1536 -8.1433 -7.1904 -7.1900 -6.9696 -6.9608 -6.4432 -6.4431 -6.3029 -6.3028 -2.1518 -2.1499 -0.2958 -0.2933 -0.0312 -0.0312 5.3758 5.3855 5.4122 5.4140 5.5948 5.6102 5.7852 5.7926 5.8353 5.8382 6.2702 6.2738 6.4870 6.4872 7.1990 7.2082 7.7360 7.7670 7.8435 7.8462 7.9606 7.9781 8.0006 8.0351 8.0724 8.0826 8.1329 8.1497 8.5297 8.5420 8.6158 8.6235 9.2181 9.2588 9.3483 9.3503 9.5278 9.5297 9.5490 9.5618 9.5678 9.6228 10.6357 10.6560 10.7162 10.7287 11.1976 11.2177 11.5586 11.5706 13.7506 13.7518 14.0886 14.0887 15.3147 15.3232 15.5658 15.5659 k = 0.0000 0.0488 0.2529 ( 4152 PWs) bands (ev): -30.7046 -30.7046 -15.6779 -15.6779 -11.8626 -11.8619 -10.6518 -10.6495 -10.2705 -10.2704 -8.1476 -8.1340 -7.1900 -7.1890 -6.9718 -6.9596 -6.4443 -6.4439 -6.3066 -6.3064 -2.1507 -2.1482 -0.2950 -0.2916 -0.0299 -0.0299 5.3716 5.3850 5.4125 5.4156 5.5869 5.6072 5.7831 5.7927 5.8338 5.8375 6.2711 6.2756 6.4869 6.4870 7.1824 7.1940 7.7240 7.7614 7.8231 7.8278 7.9636 7.9928 8.0096 8.0389 8.0596 8.0780 8.1172 8.1412 8.5247 8.5425 8.6135 8.6260 9.1789 9.2265 9.3341 9.3422 9.5299 9.5304 9.5864 9.5873 9.5914 9.6636 10.6083 10.6377 10.7119 10.7217 11.2255 11.2474 11.5599 11.5764 13.7640 13.7655 14.1083 14.1085 15.3306 15.3418 15.5638 15.5639 k = 0.0000 0.0610 0.2529 ( 4158 PWs) bands (ev): -30.7045 -30.7045 -15.6764 -15.6764 -11.8630 -11.8622 -10.6529 -10.6500 -10.2760 -10.2759 -8.1395 -8.1227 -7.1896 -7.1878 -6.9741 -6.9581 -6.4457 -6.4449 -6.3113 -6.3110 -2.1493 -2.1462 -0.2938 -0.2897 -0.0282 -0.0281 5.3657 5.3826 5.4141 5.4183 5.5771 5.6019 5.7812 5.7928 5.8328 5.8372 6.2718 6.2771 6.4869 6.4871 7.1625 7.1762 7.7105 7.7559 7.8037 7.8049 7.9605 7.9914 8.0149 8.0379 8.0530 8.0830 8.0997 8.1337 8.5181 8.5416 8.6122 8.6306 9.1385 9.1883 9.3219 9.3370 9.5315 9.5321 9.6155 9.6188 9.6280 9.7047 10.5769 10.6138 10.7089 10.7161 11.2575 11.2789 11.5623 11.5839 13.7812 13.7830 14.1336 14.1338 15.3511 15.3648 15.5612 15.5613 k = 0.0000 0.0732 0.2529 ( 4168 PWs) bands (ev): -30.7042 -30.7042 -15.6745 -15.6745 -11.8635 -11.8626 -10.6542 -10.6507 -10.2825 -10.2822 -8.1295 -8.1094 -7.1895 -7.1865 -6.9767 -6.9564 -6.4474 -6.4460 -6.3170 -6.3165 -2.1475 -2.1438 -0.2923 -0.2874 -0.0261 -0.0260 5.3579 5.3776 5.4175 5.4224 5.5655 5.5942 5.7801 5.7932 5.8325 5.8374 6.2719 6.2778 6.4870 6.4877 7.1399 7.1552 7.6939 7.7513 7.7785 7.7876 7.9486 7.9734 8.0057 8.0305 8.0585 8.0861 8.0887 8.1371 8.5101 8.5387 8.6131 8.6377 9.0982 9.1476 9.3120 9.3325 9.5330 9.5345 9.6486 9.6506 9.6679 9.7451 10.5438 10.5862 10.7066 10.7118 11.2913 11.3103 11.5660 11.5933 13.8021 13.8043 14.1643 14.1646 15.3760 15.3921 15.5580 15.5582 k = 0.0000 0.0854 0.2529 ( 4168 PWs) bands (ev): -30.7040 -30.7040 -15.6724 -15.6724 -11.8642 -11.8631 -10.6558 -10.6517 -10.2898 -10.2894 -8.1176 -8.0945 -7.1898 -7.1851 -6.9794 -6.9542 -6.4493 -6.4472 -6.3236 -6.3229 -2.1454 -2.1411 -0.2905 -0.2848 -0.0237 -0.0235 5.3483 5.3700 5.4225 5.4278 5.5520 5.5840 5.7800 5.7944 5.8331 5.8383 6.2712 6.2775 6.4875 6.4887 7.1153 7.1318 7.6730 7.7424 7.7551 7.7763 7.9265 7.9454 7.9884 8.0163 8.0509 8.0816 8.0947 8.1581 8.5012 8.5336 8.6167 8.6473 9.0592 9.1064 9.3037 9.3285 9.5348 9.5371 9.6849 9.6856 9.7071 9.7844 10.5105 10.5570 10.7047 10.7083 11.3249 11.3401 11.5716 11.6050 13.8269 13.8294 14.2005 14.2008 15.4050 15.4233 15.5544 15.5546 k = 0.0000 0.0976 0.2529 ( 4164 PWs) bands (ev): -30.7037 -30.7037 -15.6699 -15.6699 -11.8649 -11.8637 -10.6576 -10.6530 -10.2978 -10.2971 -8.1040 -8.0779 -7.1908 -7.1840 -6.9820 -6.9515 -6.4514 -6.4483 -6.3311 -6.3302 -2.1429 -2.1381 -0.2884 -0.2819 -0.0209 -0.0206 5.3367 5.3599 5.4288 5.4344 5.5369 5.5714 5.7814 5.7965 5.8344 5.8399 6.2693 6.2758 6.4882 6.4903 7.0892 7.1065 7.6476 7.7138 7.7508 7.7699 7.8962 7.9114 7.9656 7.9952 8.0352 8.0681 8.1153 8.1860 8.4920 8.5266 8.6230 8.6591 9.0223 9.0662 9.2964 9.3250 9.5368 9.5399 9.7233 9.7239 9.7451 9.8221 10.4778 10.5274 10.7030 10.7053 11.3567 11.3671 11.5795 11.6193 13.8554 13.8581 14.2419 14.2424 15.4377 15.4580 15.5503 15.5506 k = 0.0000 0.1098 0.2529 ( 4164 PWs) bands (ev): -30.7034 -30.7034 -15.6671 -15.6671 -11.8658 -11.8644 -10.6597 -10.6545 -10.3063 -10.3053 -8.0888 -8.0598 -7.1925 -7.1832 -6.9845 -6.9481 -6.4538 -6.4494 -6.3395 -6.3382 -2.1401 -2.1348 -0.2860 -0.2788 -0.0177 -0.0174 5.3231 5.3473 5.4361 5.4421 5.5206 5.5565 5.7843 5.7998 5.8365 5.8423 6.2662 6.2727 6.4894 6.4924 7.0621 7.0798 7.6186 7.6804 7.7507 7.7672 7.8602 7.8735 7.9370 7.9678 8.0197 8.0520 8.1363 8.2135 8.4838 8.5186 8.6316 8.6728 8.9880 9.0278 9.2898 9.3220 9.5391 9.5431 9.7630 9.7649 9.7815 9.8581 10.4467 10.4987 10.7013 10.7027 11.3851 11.3904 11.5903 11.6363 13.8874 13.8904 14.2886 14.2891 15.4738 15.4959 15.5458 15.5461 k = 0.0000 0.1220 0.2529 ( 4164 PWs) bands (ev): -30.7031 -30.7031 -15.6641 -15.6641 -11.8668 -11.8654 -10.6622 -10.6564 -10.3150 -10.3138 -8.0721 -8.0404 -7.1951 -7.1830 -6.9866 -6.9439 -6.4564 -6.4504 -6.3486 -6.3468 -2.1370 -2.1313 -0.2834 -0.2754 -0.0142 -0.0138 5.3075 5.3322 5.4439 5.4510 5.5038 5.5398 5.7886 5.8045 5.8393 5.8454 6.2617 6.2682 6.4909 6.4949 7.0346 7.0524 7.5870 7.6452 7.7513 7.7663 7.8207 7.8332 7.9038 7.9354 8.0042 8.0339 8.1546 8.2368 8.4784 8.5108 8.6420 8.6879 8.9571 8.9922 9.2840 9.3195 9.5417 9.5464 9.8043 9.8075 9.8161 9.8922 10.4176 10.4716 10.6998 10.7003 11.4089 11.4098 11.6044 11.6557 13.9230 13.9262 14.3404 14.3410 15.5126 15.5366 15.5409 15.5415 k = 0.0000 0.1341 0.2529 ( 4166 PWs) bands (ev): -30.7027 -30.7027 -15.6608 -15.6608 -11.8680 -11.8664 -10.6650 -10.6587 -10.3239 -10.3224 -8.0541 -8.0199 -7.1989 -7.1837 -6.9881 -6.9388 -6.4591 -6.4513 -6.3585 -6.3561 -2.1337 -2.1275 -0.2805 -0.2719 -0.0104 -0.0098 5.2900 5.3146 5.4507 5.4609 5.4884 5.5217 5.7942 5.8106 5.8427 5.8493 6.2560 6.2622 6.4926 6.4977 7.0069 7.0247 7.5535 7.6088 7.7491 7.7621 7.7810 7.7954 7.8680 7.8995 7.9876 8.0138 8.1676 8.2520 8.4785 8.5048 8.6539 8.7042 8.9299 8.9600 9.2786 9.3176 9.5444 9.5500 9.8467 9.8487 9.8513 9.9241 10.3911 10.4467 10.6980 10.6982 11.4253 11.4276 11.6219 11.6770 13.9619 13.9653 14.3971 14.3977 15.5349 15.5356 15.5557 15.5796 k = 0.0000 0.1463 0.2529 ( 4174 PWs) bands (ev): -30.7023 -30.7023 -15.6573 -15.6573 -11.8694 -11.8677 -10.6682 -10.6614 -10.3328 -10.3309 -8.0350 -7.9984 -7.2038 -7.1856 -6.9888 -6.9328 -6.4619 -6.4519 -6.3690 -6.3659 -2.1301 -2.1235 -0.2775 -0.2682 -0.0062 -0.0055 5.2705 5.2945 5.4504 5.4717 5.4807 5.5025 5.8009 5.8179 5.8467 5.8540 6.2489 6.2550 6.4946 6.5007 6.9795 6.9969 7.5186 7.5714 7.7246 7.7334 7.7588 7.7801 7.8327 7.8616 7.9695 7.9915 8.1733 8.2556 8.4865 8.5024 8.6668 8.7213 8.9066 8.9316 9.2738 9.3160 9.5472 9.5537 9.8789 9.8902 9.8959 9.9538 10.3675 10.4244 10.6958 10.6968 11.4372 11.4412 11.6422 11.6995 14.0039 14.0075 14.4586 14.4593 15.5299 15.5300 15.5990 15.6246 k = 0.0000 0.1585 0.2529 ( 4180 PWs) bands (ev): -30.7019 -30.7019 -15.6535 -15.6535 -11.8710 -11.8692 -10.6718 -10.6646 -10.3414 -10.3392 -8.0149 -7.9760 -7.2099 -7.1889 -6.9883 -6.9258 -6.4649 -6.4524 -6.3801 -6.3761 -2.1262 -2.1193 -0.2742 -0.2644 -0.0017 -0.0009 5.2492 5.2721 5.4379 5.4795 5.4860 5.4865 5.8086 5.8264 5.8512 5.8595 6.2408 6.2468 6.4966 6.5037 6.9526 6.9695 7.4826 7.5332 7.6807 7.6889 7.7454 7.7756 7.8049 7.8261 7.9497 7.9671 8.1701 8.2468 8.5031 8.5052 8.6805 8.7388 8.8872 8.9072 9.2695 9.3150 9.5502 9.5575 9.9070 9.9340 9.9409 9.9814 10.3471 10.4051 10.6937 10.6954 11.4461 11.4504 11.6644 11.7222 14.0490 14.0527 14.5247 14.5254 15.5241 15.5241 15.6446 15.6712 k = 0.0000 0.1707 0.2529 ( 4172 PWs) bands (ev): -30.7015 -30.7015 -15.6496 -15.6496 -11.8728 -11.8708 -10.6758 -10.6682 -10.3496 -10.3471 -7.9940 -7.9531 -7.2173 -7.1939 -6.9865 -6.9179 -6.4680 -6.4526 -6.3917 -6.3866 -2.1222 -2.1149 -0.2709 -0.2605 0.0031 0.0040 5.2263 5.2477 5.4205 5.4610 5.4969 5.4972 5.8168 5.8360 5.8563 5.8658 6.2318 6.2376 6.4986 6.5066 6.9264 6.9426 7.4459 7.4943 7.6336 7.6413 7.7173 7.7563 7.7924 7.8062 7.9286 7.9410 8.1575 8.2271 8.5138 8.5267 8.6947 8.7567 8.8715 8.8869 9.2657 9.3144 9.5532 9.5615 9.9329 9.9779 9.9855 10.0074 10.3303 10.3891 10.6917 10.6941 11.4525 11.4562 11.6872 11.7446 14.0968 14.1006 14.5951 14.5958 15.5180 15.5181 15.6916 15.7188 k = 0.0000 0.1829 0.2529 ( 4172 PWs) bands (ev): -30.7010 -30.7010 -15.6455 -15.6455 -11.8748 -11.8727 -10.6802 -10.6723 -10.3573 -10.3545 -7.9725 -7.9296 -7.2260 -7.2006 -6.9833 -6.9090 -6.4712 -6.4526 -6.4037 -6.3973 -2.1180 -2.1105 -0.2674 -0.2565 0.0081 0.0092 5.2018 5.2214 5.4019 5.4400 5.5099 5.5109 5.8256 5.8465 5.8620 5.8731 6.2221 6.2279 6.5005 6.5093 6.9009 6.9164 7.4083 7.4547 7.5855 7.5924 7.6792 7.7192 7.7885 7.8035 7.9065 7.9134 8.1366 8.1992 8.5275 8.5544 8.7092 8.7744 8.8590 8.8705 9.2624 9.3142 9.5564 9.5656 9.9565 10.0217 10.0240 10.0371 10.3172 10.3765 10.6898 10.6930 11.4568 11.4592 11.7096 11.7659 14.1471 14.1510 14.6696 14.6703 15.5117 15.5118 15.7394 15.7671 k = 0.0000 0.1951 0.2529 ( 4172 PWs) bands (ev): -30.7005 -30.7005 -15.6412 -15.6412 -11.8770 -11.8749 -10.6850 -10.6768 -10.3644 -10.3613 -7.9504 -7.9058 -7.2358 -7.2090 -6.9786 -6.8993 -6.4746 -6.4524 -6.4161 -6.4081 -2.1136 -2.1059 -0.2638 -0.2525 0.0135 0.0147 5.1761 5.1938 5.3827 5.4185 5.5243 5.5257 5.8346 5.8575 5.8685 5.8814 6.2118 6.2176 6.5022 6.5118 6.8764 6.8908 7.3702 7.4145 7.5371 7.5431 7.6380 7.6772 7.7853 7.8048 7.8845 7.8847 8.1092 8.1656 8.5452 8.5843 8.7238 8.7916 8.8494 8.8579 9.2597 9.3144 9.5595 9.5697 9.9779 10.0476 10.0649 10.0793 10.3081 10.3674 10.6879 10.6919 11.4594 11.4601 11.7310 11.7858 14.1995 14.2035 14.7479 14.7486 15.5052 15.5054 15.7878 15.8156 k = 0.0000 0.2073 0.2529 ( 4172 PWs) bands (ev): -30.7000 -30.7000 -15.6368 -15.6368 -11.8794 -11.8772 -10.6901 -10.6818 -10.3707 -10.3674 -7.9279 -7.8819 -7.2467 -7.2192 -6.9725 -6.8889 -6.4783 -6.4521 -6.4287 -6.4187 -2.1092 -2.1013 -0.2602 -0.2485 0.0190 0.0204 5.1494 5.1650 5.3631 5.3967 5.5396 5.5414 5.8437 5.8685 5.8762 5.8906 6.2012 6.2071 6.5037 6.5140 6.8527 6.8660 7.3315 7.3736 7.4888 7.4936 7.5963 7.6346 7.7788 7.8049 7.8562 7.8640 8.0775 8.1283 8.5653 8.6144 8.7382 8.8077 8.8426 8.8495 9.2575 9.3151 9.5626 9.5739 9.9971 10.0665 10.1073 10.1236 10.3032 10.3619 10.6862 10.6910 11.4593 11.4606 11.7508 11.8037 14.2539 14.2579 14.8296 14.8304 15.4987 15.4989 15.8362 15.8637 k = 0.0000 0.2195 0.2529 ( 4168 PWs) bands (ev): -30.6995 -30.6995 -15.6323 -15.6323 -11.8821 -11.8798 -10.6956 -10.6871 -10.3763 -10.3728 -7.9052 -7.8579 -7.2586 -7.2309 -6.9651 -6.8778 -6.4824 -6.4517 -6.4414 -6.4291 -2.1046 -2.0966 -0.2565 -0.2446 0.0248 0.0264 5.1219 5.1355 5.3431 5.3745 5.5559 5.5579 5.8530 5.8782 5.8862 5.9007 6.1904 6.1966 6.5050 6.5158 6.8298 6.8418 7.2922 7.3320 7.4410 7.4443 7.5552 7.5925 7.7663 7.7983 7.8321 7.8463 8.0440 8.0892 8.5863 8.6432 8.7523 8.8207 8.8385 8.8475 9.2559 9.3161 9.5658 9.5780 10.0142 10.0831 10.1482 10.1675 10.3026 10.3598 10.6847 10.6902 11.4572 11.4606 11.7688 11.8196 14.3098 14.3138 14.9145 14.9152 15.4921 15.4923 15.8841 15.9110 k = 0.0000 0.2317 0.2529 ( 4178 PWs) bands (ev): -30.6990 -30.6990 -15.6277 -15.6277 -11.8850 -11.8827 -10.7013 -10.6928 -10.3811 -10.3775 -7.8824 -7.8340 -7.2714 -7.2439 -6.9565 -6.8662 -6.4870 -6.4555 -6.4499 -6.4389 -2.1000 -2.0919 -0.2528 -0.2407 0.0308 0.0325 5.0939 5.1057 5.3227 5.3520 5.5731 5.5753 5.8622 5.8867 5.8984 5.9115 6.1796 6.1861 6.5060 6.5175 6.8077 6.8182 7.2524 7.2897 7.3940 7.3955 7.5155 7.5517 7.7470 7.7772 7.8194 7.8308 8.0109 8.0500 8.6067 8.6687 8.7658 8.8281 8.8374 8.8548 9.2548 9.3174 9.5689 9.5821 10.0290 10.0974 10.1870 10.2105 10.3070 10.3613 10.6831 10.6897 11.4539 11.4595 11.7846 11.8333 14.3669 14.3708 15.0021 15.0028 15.4855 15.4857 15.9313 15.9568 k = 0.0000 0.2439 0.2529 ( 4174 PWs) bands (ev): -30.6985 -30.6985 -15.6231 -15.6231 -11.8881 -11.8857 -10.7073 -10.6988 -10.3850 -10.3813 -7.8596 -7.8105 -7.2849 -7.2581 -6.9468 -6.8543 -6.4921 -6.4679 -6.4496 -6.4480 -2.0954 -2.0873 -0.2491 -0.2368 0.0369 0.0387 5.0656 5.0757 5.3019 5.3293 5.5911 5.5935 5.8716 5.8950 5.9115 5.9229 6.1691 6.1760 6.5070 6.5189 6.7863 6.7951 7.2120 7.2465 7.3476 7.3483 7.4776 7.5127 7.7225 7.7474 7.8112 7.8146 7.9811 8.0128 8.6250 8.6888 8.7789 8.8347 8.8399 8.8684 9.2544 9.3191 9.5720 9.5862 10.0417 10.1095 10.2228 10.2527 10.3170 10.3663 10.6818 10.6893 11.4496 11.4574 11.7983 11.8448 14.4248 14.4287 15.0919 15.0925 15.4789 15.4791 15.9773 16.0005 k = 0.0000 0.2561 0.2529 ( 4186 PWs) bands (ev): -30.6980 -30.6980 -15.6184 -15.6184 -11.8913 -11.8890 -10.7133 -10.7050 -10.3882 -10.3845 -7.8371 -7.7873 -7.2990 -7.2732 -6.9363 -6.8422 -6.4980 -6.4808 -6.4562 -6.4489 -2.0908 -2.0827 -0.2454 -0.2331 0.0432 0.0451 5.0373 5.0458 5.2809 5.3063 5.6099 5.6125 5.8811 5.9037 5.9249 5.9347 6.1588 6.1663 6.5078 6.5202 6.7653 6.7722 7.1710 7.2024 7.3008 7.3039 7.4418 7.4758 7.6947 7.7152 7.7943 7.7997 7.9566 7.9796 8.6399 8.7012 8.7916 8.8460 8.8465 8.8840 9.2545 9.3210 9.5750 9.5901 10.0520 10.1192 10.2545 10.2935 10.3336 10.3747 10.6805 10.6891 11.4443 11.4544 11.8098 11.8542 14.4833 14.4871 15.1835 15.1840 15.4723 15.4726 16.0215 16.0414 k = 0.0000 0.2683 0.2529 ( 4184 PWs) bands (ev): -30.6975 -30.6975 -15.6138 -15.6138 -11.8948 -11.8924 -10.7194 -10.7113 -10.3906 -10.3869 -7.8148 -7.7647 -7.3135 -7.2889 -6.9251 -6.8299 -6.5045 -6.4935 -6.4634 -6.4481 -2.0862 -2.0781 -0.2418 -0.2295 0.0495 0.0515 5.0093 5.0163 5.2597 5.2833 5.6294 5.6323 5.8907 5.9127 5.9383 5.9466 6.1491 6.1572 6.5086 6.5216 6.7447 6.7495 7.1294 7.1575 7.2553 7.2612 7.4085 7.4412 7.6651 7.6823 7.7685 7.7821 7.9384 7.9525 8.6502 8.7059 8.8045 8.8575 8.8624 8.9012 9.2553 9.3231 9.5779 9.5940 10.0599 10.1265 10.2819 10.3328 10.3568 10.3871 10.6793 10.6892 11.4383 11.4506 11.8193 11.8614 14.5420 14.5457 15.2763 15.2767 15.4659 15.4661 16.0635 16.0791 k = 0.0000 0.2805 0.2529 ( 4180 PWs) bands (ev): -30.6970 -30.6970 -15.6091 -15.6091 -11.8984 -11.8960 -10.7255 -10.7176 -10.3923 -10.3887 -7.7929 -7.7427 -7.3282 -7.3051 -6.9133 -6.8178 -6.5116 -6.5061 -6.4697 -6.4474 -2.0816 -2.0737 -0.2382 -0.2260 0.0559 0.0580 4.9816 4.9873 5.2383 5.2603 5.6496 5.6527 5.9007 5.9222 5.9515 5.9584 6.1400 6.1489 6.5095 6.5230 6.7244 6.7270 7.0872 7.1120 7.2115 7.2200 7.3775 7.4089 7.6345 7.6493 7.7380 7.7578 7.9257 7.9323 8.6556 8.7044 8.8176 8.8729 8.8809 8.9211 9.2566 9.3255 9.5808 9.5977 10.0651 10.1312 10.3065 10.3697 10.3847 10.4036 10.6783 10.6896 11.4315 11.4461 11.8268 11.8665 14.6005 14.6040 15.3696 15.3698 15.4598 15.4599 16.1028 16.1131 k = 0.0000 0.2927 0.2529 ( 4190 PWs) bands (ev): -30.6965 -30.6965 -15.6046 -15.6046 -11.9021 -11.8998 -10.7315 -10.7239 -10.3933 -10.3898 -7.7716 -7.7216 -7.3430 -7.3215 -6.9010 -6.8060 -6.5188 -6.5182 -6.4753 -6.4468 -2.0771 -2.0694 -0.2347 -0.2227 0.0623 0.0644 4.9545 4.9591 5.2169 5.2373 5.6703 5.6737 5.9109 5.9322 5.9643 5.9700 6.1316 6.1413 6.5106 6.5248 6.7043 6.7045 7.0443 7.0661 7.1694 7.1805 7.3489 7.3789 7.6035 7.6166 7.7050 7.7283 7.9165 7.9177 8.6564 8.6987 8.8307 8.8921 8.8978 8.9451 9.2586 9.3280 9.5835 9.6013 10.0677 10.1331 10.3305 10.4025 10.4149 10.4258 10.6774 10.6903 11.4240 11.4408 11.8323 11.8697 14.6585 14.6619 15.4507 15.4517 15.4652 15.4661 16.1384 16.1431 k = 0.0000 0.3049 0.2529 ( 4198 PWs) bands (ev): -30.6960 -30.6960 -15.6001 -15.6001 -11.9059 -11.9037 -10.7373 -10.7301 -10.3938 -10.3905 -7.7510 -7.7014 -7.3577 -7.3380 -6.8885 -6.7946 -6.5300 -6.5258 -6.4804 -6.4464 -2.0728 -2.0652 -0.2313 -0.2196 0.0687 0.0708 4.9281 4.9317 5.1957 5.2145 5.6916 5.6953 5.9214 5.9426 5.9765 5.9809 6.1242 6.1348 6.5118 6.5269 6.6821 6.6845 7.0010 7.0200 7.1293 7.1424 7.3222 7.3508 7.5725 7.5845 7.6715 7.6960 7.9069 7.9093 8.6535 8.6903 8.8435 8.9119 8.9148 8.9730 9.2611 9.3307 9.5860 9.6047 10.0679 10.1324 10.3553 10.4299 10.4454 10.4546 10.6766 10.6913 11.4158 11.4348 11.8361 11.8712 14.7158 14.7189 15.4470 15.4474 15.5562 15.5566 16.1690 16.1696 k = 0.0000 0.3171 0.2529 ( 4194 PWs) bands (ev): -30.6955 -30.6955 -15.5957 -15.5957 -11.9098 -11.9076 -10.7429 -10.7360 -10.3938 -10.3906 -7.7312 -7.6822 -7.3721 -7.3542 -6.8758 -6.7838 -6.5412 -6.5323 -6.4854 -6.4463 -2.0685 -2.0613 -0.2281 -0.2167 0.0750 0.0771 4.9027 4.9054 5.1748 5.1921 5.7134 5.7173 5.9322 5.9535 5.9878 5.9911 6.1179 6.1294 6.5134 6.5297 6.6598 6.6650 6.9574 6.9739 7.0911 7.1059 7.2970 7.3242 7.5420 7.5533 7.6394 7.6636 7.8982 7.9027 8.6481 8.6804 8.8556 8.9234 8.9402 9.0035 9.2641 9.3335 9.5884 9.6079 10.0656 10.1292 10.3814 10.4550 10.4752 10.4863 10.6760 10.6929 11.4070 11.4281 11.8384 11.8711 14.7720 14.7748 15.4415 15.4417 15.6474 15.6481 16.1905 16.1954 k = 0.0000 0.3293 0.2529 ( 4198 PWs) bands (ev): -30.6951 -30.6951 -15.5915 -15.5915 -11.9137 -11.9115 -10.7483 -10.7418 -10.3934 -10.3904 -7.7123 -7.6643 -7.3860 -7.3700 -6.8631 -6.7738 -6.5518 -6.5380 -6.4902 -6.4464 -2.0644 -2.0575 -0.2249 -0.2140 0.0812 0.0832 4.8782 4.8803 5.1543 5.1702 5.7355 5.7397 5.9434 5.9649 5.9980 6.0003 6.1128 6.1251 6.5154 6.5331 6.6378 6.6461 6.9136 6.9281 7.0549 7.0708 7.2725 7.2985 7.5123 7.5231 7.6099 7.6328 7.8902 7.8962 8.6408 8.6694 8.8669 8.9331 8.9674 9.0352 9.2676 9.3363 9.5906 9.6109 10.0612 10.1236 10.4088 10.4805 10.5036 10.5178 10.6755 10.6950 11.3977 11.4207 11.8394 11.8696 14.8269 14.8294 15.4360 15.4363 15.7367 15.7376 16.2075 16.2154 k = 0.0000 0.3415 0.2529 ( 4198 PWs) bands (ev): -30.6946 -30.6946 -15.5874 -15.5874 -11.9176 -11.9155 -10.7533 -10.7472 -10.3926 -10.3898 -7.6945 -7.6477 -7.3993 -7.3851 -6.8504 -6.7648 -6.5617 -6.5426 -6.4951 -6.4469 -2.0605 -2.0539 -0.2219 -0.2114 0.0872 0.0892 4.8550 4.8564 5.1344 5.1490 5.7578 5.7623 5.9549 5.9767 6.0068 6.0085 6.1092 6.1221 6.5175 6.5374 6.6163 6.6281 6.8700 6.8829 7.0207 7.0372 7.2482 7.2731 7.4837 7.4942 7.5840 7.6050 7.8822 7.8892 8.6324 8.6579 8.8774 8.9411 8.9958 9.0673 9.2716 9.3391 9.5926 9.6136 10.0550 10.1159 10.4374 10.5066 10.5300 10.5480 10.6753 10.6977 11.3878 11.4127 11.8392 11.8671 14.8802 14.8824 15.4308 15.4311 15.8234 15.8245 16.2200 16.2296 k = 0.0000 0.3537 0.2529 ( 4190 PWs) bands (ev): -30.6942 -30.6942 -15.5835 -15.5835 -11.9214 -11.9194 -10.7580 -10.7524 -10.3916 -10.3890 -7.6778 -7.6327 -7.4118 -7.3994 -6.8379 -6.7570 -6.5707 -6.5459 -6.5001 -6.4477 -2.0568 -2.0505 -0.2190 -0.2091 0.0930 0.0949 4.8330 4.8340 5.1153 5.1286 5.7801 5.7850 5.9666 5.9890 6.0140 6.0155 6.1070 6.1202 6.5197 6.5426 6.5955 6.6115 6.8268 6.8383 6.9885 7.0051 7.2234 7.2472 7.4566 7.4667 7.5626 7.5815 7.8739 7.8815 8.6234 8.6462 8.8873 8.9480 9.0248 9.0992 9.2759 9.3419 9.5943 9.6161 10.0471 10.1062 10.4668 10.5332 10.5542 10.5767 10.6755 10.7014 11.3775 11.4040 11.8381 11.8636 14.9318 14.9336 15.4259 15.4261 15.9069 15.9081 16.2282 16.2384 k = 0.0000 0.3659 0.2529 ( 4190 PWs) bands (ev): -30.6938 -30.6938 -15.5799 -15.5799 -11.9251 -11.9232 -10.7623 -10.7572 -10.3903 -10.3880 -7.6625 -7.6193 -7.4232 -7.4126 -6.8259 -6.7506 -6.5787 -6.5478 -6.5053 -6.4490 -2.0533 -2.0474 -0.2163 -0.2070 0.0985 0.1004 4.8124 4.8130 5.0971 5.1092 5.8024 5.8075 5.9785 6.0017 6.0195 6.0216 6.1065 6.1195 6.5211 6.5488 6.5756 6.5973 6.7842 6.7947 6.9583 6.9747 7.1976 7.2205 7.4311 7.4407 7.5459 7.5628 7.8650 7.8730 8.6142 8.6346 8.8965 8.9536 9.0540 9.1305 9.2807 9.3447 9.5959 9.6183 10.0379 10.0949 10.4966 10.5597 10.5756 10.6033 10.6762 10.7062 11.3669 11.3947 11.8363 11.8593 14.9813 14.9828 15.4214 15.4215 15.9864 15.9877 16.2328 16.2426 k = 0.0000 0.3780 0.2529 ( 4186 PWs) bands (ev): -30.6935 -30.6935 -15.5764 -15.5764 -11.9286 -11.9269 -10.7663 -10.7616 -10.3889 -10.3868 -7.6486 -7.6078 -7.4334 -7.4245 -6.8142 -6.7455 -6.5855 -6.5481 -6.5108 -6.4507 -2.0500 -2.0446 -0.2138 -0.2051 0.1037 0.1055 4.7933 4.7936 5.0799 5.0908 5.8242 5.8296 5.9902 6.0148 6.0234 6.0272 6.1074 6.1197 6.5208 6.5546 6.5583 6.5869 6.7425 6.7522 6.9302 6.9460 7.1707 7.1928 7.4075 7.4164 7.5341 7.5491 7.8555 7.8637 8.6051 8.6233 8.9051 8.9582 9.0829 9.1606 9.2858 9.3475 9.5972 9.6201 10.0278 10.0822 10.5264 10.5854 10.5940 10.6273 10.6784 10.7123 11.3560 11.3847 11.8339 11.8545 15.0285 15.0297 15.4171 15.4173 16.0609 16.0623 16.2347 16.2439 k = 0.0000 0.3902 0.2529 ( 4186 PWs) bands (ev): -30.6931 -30.6931 -15.5733 -15.5733 -11.9319 -11.9303 -10.7698 -10.7656 -10.3875 -10.3856 -7.6364 -7.5983 -7.4422 -7.4348 -6.8033 -6.7417 -6.5912 -6.5469 -6.5165 -6.4529 -2.0469 -2.0420 -0.2114 -0.2035 0.1086 0.1102 4.7758 4.7758 5.0640 5.0737 5.8454 5.8509 6.0011 6.0257 6.0283 6.0332 6.1095 6.1205 6.5173 6.5389 6.5647 6.5817 6.7019 6.7111 6.9043 6.9192 7.1431 7.1642 7.3857 7.3938 7.5269 7.5402 7.8453 7.8536 8.5964 8.6125 8.9131 8.9617 9.1112 9.1889 9.2916 9.3502 9.5984 9.6216 10.0170 10.0683 10.5557 10.6094 10.6096 10.6468 10.6841 10.7198 11.3451 11.3743 11.8311 11.8494 15.0732 15.0740 15.4133 15.4134 16.1282 16.1295 16.2366 16.2447 k = 0.0000 0.4024 0.2529 ( 4182 PWs) bands (ev): -30.6928 -30.6928 -15.5704 -15.5704 -11.9350 -11.9336 -10.7729 -10.7692 -10.3860 -10.3843 -7.6257 -7.5909 -7.4496 -7.4434 -6.7931 -6.7393 -6.5955 -6.5444 -6.5224 -6.4557 -2.0441 -2.0397 -0.2092 -0.2021 0.1131 0.1146 4.7597 4.7598 5.0495 5.0580 5.8656 5.8711 6.0099 6.0272 6.0410 6.0418 6.1127 6.1218 6.5105 6.5230 6.5736 6.5817 6.6631 6.6719 6.8807 6.8945 7.1150 7.1352 7.3660 7.3731 7.5239 7.5357 7.8347 7.8429 8.5882 8.6024 8.9204 8.9644 9.1385 9.2147 9.2980 9.3529 9.5994 9.6227 10.0059 10.0538 10.5840 10.6217 10.6312 10.6590 10.6963 10.7287 11.3342 11.3634 11.8282 11.8442 15.1151 15.1155 15.4098 15.4099 16.1789 16.1791 16.2490 16.2547 k = 0.0000 0.4146 0.2529 ( 4190 PWs) bands (ev): -30.6925 -30.6925 -15.5678 -15.5678 -11.9379 -11.9366 -10.7757 -10.7724 -10.3845 -10.3831 -7.6168 -7.5856 -7.4554 -7.4501 -6.7839 -6.7380 -6.5983 -6.5410 -6.5282 -6.4589 -2.0416 -2.0376 -0.2072 -0.2009 0.1171 0.1185 4.7454 4.7456 5.0364 5.0438 5.8845 5.8898 6.0159 6.0278 6.0515 6.0553 6.1168 6.1234 6.5018 6.5086 6.5821 6.5848 6.6272 6.6356 6.8595 6.8719 7.0873 7.1062 7.3484 7.3544 7.5242 7.5347 7.8238 7.8317 8.5808 8.5931 8.9273 8.9663 9.1643 9.2370 9.3058 9.3555 9.6003 9.6233 9.9951 10.0388 10.6107 10.6312 10.6480 10.6671 10.7137 10.7385 11.3237 11.3521 11.8253 11.8391 15.1537 15.1539 15.4067 15.4067 16.1942 16.1969 16.2887 16.2909 k = 0.0000 0.4268 0.2529 ( 4186 PWs) bands (ev): -30.6923 -30.6923 -15.5655 -15.5655 -11.9404 -11.9393 -10.7780 -10.7752 -10.3832 -10.3819 -7.6095 -7.5824 -7.4597 -7.4551 -6.7756 -6.7376 -6.5996 -6.5395 -6.5313 -6.4627 -2.0393 -2.0359 -0.2054 -0.1999 0.1208 0.1219 4.7329 4.7332 5.0248 5.0312 5.9017 5.9067 6.0195 6.0280 6.0642 6.0681 6.1219 6.1255 6.4926 6.4960 6.5794 6.5824 6.6045 6.6103 6.8409 6.8517 7.0606 7.0780 7.3329 7.3380 7.5273 7.5365 7.8128 7.8203 8.5742 8.5847 8.9335 8.9674 9.1884 9.2546 9.3155 9.3581 9.6013 9.6234 9.9848 10.0238 10.6347 10.6393 10.6564 10.6779 10.7323 10.7489 11.3138 11.3408 11.8226 11.8342 15.1887 15.1887 15.4040 15.4040 16.1916 16.1946 16.3395 16.3404 k = 0.0000 0.4390 0.2529 ( 4188 PWs) bands (ev): -30.6921 -30.6921 -15.5635 -15.5635 -11.9426 -11.9416 -10.7800 -10.7776 -10.3819 -10.3809 -7.6037 -7.5811 -7.4625 -7.4585 -6.7684 -6.7379 -6.5993 -6.5443 -6.5278 -6.4670 -2.0374 -2.0345 -0.2038 -0.1991 0.1239 0.1249 4.7222 4.7225 5.0150 5.0202 5.9170 5.9213 6.0217 6.0279 6.0774 6.0796 6.1282 6.1283 6.4839 6.4851 6.5524 6.5586 6.6078 6.6119 6.8250 6.8342 7.0357 7.0514 7.3197 7.3238 7.5322 7.5402 7.8023 7.8091 8.5686 8.5773 8.9393 8.9677 9.2103 9.2670 9.3269 9.3607 9.6024 9.6230 9.9755 10.0093 10.6435 10.6581 10.6591 10.6905 10.7499 10.7594 11.3050 11.3297 11.8201 11.8296 15.2195 15.2197 15.4017 15.4017 16.1844 16.1871 16.3880 16.3886 k = 0.0000 0.4512 0.2529 ( 4182 PWs) bands (ev): -30.6919 -30.6919 -15.5619 -15.5619 -11.9443 -11.9436 -10.7815 -10.7796 -10.3808 -10.3800 -7.5992 -7.5811 -7.4641 -7.4607 -6.7623 -6.7389 -6.5975 -6.5509 -6.5219 -6.4717 -2.0357 -2.0334 -0.2023 -0.1986 0.1265 0.1273 4.7135 4.7138 5.0069 5.0111 5.9298 5.9335 6.0231 6.0276 6.0890 6.0892 6.1326 6.1359 6.4761 6.4762 6.5241 6.5305 6.6162 6.6206 6.8121 6.8194 7.0136 7.0271 7.3088 7.3121 7.5381 7.5449 7.7925 7.7985 8.5641 8.5710 8.9445 8.9675 9.2295 9.2748 9.3389 9.3633 9.6038 9.6221 9.9679 9.9958 10.6478 10.6598 10.6771 10.7014 10.7653 10.7694 11.2977 11.3191 11.8181 11.8256 15.2458 15.2460 15.3999 15.3999 16.1763 16.1784 16.4307 16.4311 k = 0.0000 0.4634 0.2529 ( 4190 PWs) bands (ev): -30.6918 -30.6918 -15.5606 -15.5606 -11.9458 -11.9452 -10.7826 -10.7812 -10.3800 -10.3793 -7.5956 -7.5821 -7.4648 -7.4621 -6.7572 -6.7402 -6.5944 -6.5579 -6.5154 -6.4770 -2.0343 -2.0326 -0.2011 -0.1983 0.1286 0.1292 4.7066 4.7069 5.0007 5.0038 5.9402 5.9430 6.0241 6.0272 6.0957 6.0979 6.1391 6.1443 6.4686 6.4696 6.5000 6.5059 6.6249 6.6292 6.8021 6.8076 6.9953 7.0061 7.3004 7.3028 7.5443 7.5496 7.7842 7.7890 8.5607 8.5659 8.9492 8.9665 9.2457 9.2789 9.3497 9.3656 9.6056 9.6205 9.9622 9.9838 10.6511 10.6597 10.6926 10.7097 10.7777 10.7784 11.2923 11.3094 11.8166 11.8222 15.2670 15.2672 15.3985 15.3986 16.1687 16.1702 16.4658 16.4660 k = 0.0000 0.4756 0.2529 ( 4184 PWs) bands (ev): -30.6917 -30.6917 -15.5597 -15.5597 -11.9467 -11.9463 -10.7834 -10.7824 -10.3793 -10.3789 -7.5927 -7.5838 -7.4649 -7.4630 -6.7530 -6.7420 -6.5900 -6.5650 -6.5086 -6.4827 -2.0332 -2.0321 -0.2001 -0.1982 0.1301 0.1305 4.7018 4.7019 4.9963 4.9984 5.9478 5.9497 6.0248 6.0268 6.1003 6.1028 6.1470 6.1520 6.4626 6.4638 6.4823 6.4870 6.6325 6.6359 6.7953 6.7989 6.9818 6.9894 7.2944 7.2960 7.5498 7.5535 7.7779 7.7813 8.5585 8.5620 8.9534 8.9650 9.2587 9.2803 9.3584 9.3674 9.6078 9.6184 9.9590 9.9736 10.6536 10.6593 10.7043 10.7152 10.7859 10.7867 11.2891 11.3011 11.8158 11.8194 15.2826 15.2828 15.3976 15.3976 16.1626 16.1636 16.4919 16.4921 k = 0.0000 0.4878 0.2529 ( 4184 PWs) bands (ev): -30.6916 -30.6916 -15.5592 -15.5592 -11.9473 -11.9471 -10.7837 -10.7833 -10.3788 -10.3786 -7.5902 -7.5858 -7.4646 -7.4636 -6.7495 -6.7441 -6.5847 -6.5719 -6.5019 -6.4888 -2.0325 -2.0319 -0.1993 -0.1984 0.1311 0.1313 4.6989 4.6990 4.9939 4.9950 5.9526 5.9535 6.0254 6.0264 6.1032 6.1047 6.1540 6.1569 6.4578 6.4585 6.4730 6.4755 6.6380 6.6399 6.7916 6.7934 6.9741 6.9780 7.2909 7.2917 7.5538 7.5557 7.7742 7.7760 8.5575 8.5592 8.9571 8.9629 9.2685 9.2790 9.3643 9.3683 9.6103 9.6159 9.9584 9.9658 10.6556 10.6584 10.7123 10.7175 10.7910 10.7919 11.2883 11.2945 11.8156 11.8174 15.2921 15.2922 15.3970 15.3970 16.1587 16.1592 16.5081 16.5082 k = 0.0000 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6916 -30.6916 -15.5590 -15.5590 -11.9474 -11.9474 -10.7837 -10.7837 -10.3786 -10.3786 -7.5879 -7.5879 -7.4641 -7.4641 -6.7465 -6.7465 -6.5786 -6.5786 -6.4952 -6.4952 -2.0320 -2.0320 -0.1987 -0.1987 0.1315 0.1315 4.6979 4.6979 4.9934 4.9934 5.9545 5.9545 6.0259 6.0259 6.1047 6.1047 6.1577 6.1577 6.4559 6.4559 6.4712 6.4712 6.6406 6.6406 6.7909 6.7909 6.9727 6.9727 7.2900 7.2900 7.5559 7.5559 7.7735 7.7735 8.5577 8.5577 8.9603 8.9603 9.2752 9.2752 9.3674 9.3674 9.6131 9.6131 9.9607 9.9607 10.6572 10.6572 10.7166 10.7166 10.7932 10.7932 11.2902 11.2902 11.8161 11.8161 15.2954 15.2954 15.3968 15.3968 16.1575 16.1575 16.5136 16.5136 k = 0.0000 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6916 -30.6916 -15.5590 -15.5590 -11.9474 -11.9474 -10.7837 -10.7837 -10.3786 -10.3786 -7.5879 -7.5879 -7.4641 -7.4641 -6.7465 -6.7465 -6.5786 -6.5786 -6.4952 -6.4952 -2.0320 -2.0320 -0.1987 -0.1987 0.1315 0.1315 4.6979 4.6979 4.9934 4.9934 5.9545 5.9545 6.0259 6.0259 6.1047 6.1047 6.1577 6.1577 6.4559 6.4559 6.4712 6.4712 6.6406 6.6406 6.7909 6.7909 6.9727 6.9727 7.2900 7.2900 7.5559 7.5559 7.7735 7.7735 8.5577 8.5577 8.9603 8.9603 9.2752 9.2752 9.3674 9.3674 9.6131 9.6131 9.9607 9.9607 10.6572 10.6572 10.7166 10.7166 10.7932 10.7932 11.2902 11.2902 11.8161 11.8161 15.2954 15.2954 15.3968 15.3968 16.1575 16.1575 16.5136 16.5136 k = 0.0122 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6916 -30.6916 -15.5588 -15.5588 -11.9476 -11.9474 -10.7836 -10.7836 -10.3795 -10.3792 -7.5876 -7.5875 -7.4651 -7.4610 -6.7466 -6.7458 -6.5800 -6.5771 -6.4956 -6.4952 -2.0334 -2.0320 -0.1999 -0.1989 0.1294 0.1300 4.6962 4.6963 4.9929 4.9930 5.9467 5.9480 6.0302 6.0334 6.0994 6.1082 6.1469 6.1629 6.4540 6.4556 6.4694 6.4745 6.6411 6.6411 6.7723 6.7733 6.9911 6.9927 7.2899 7.2918 7.5561 7.5631 7.7751 7.7779 8.5576 8.5591 8.9444 8.9664 9.2721 9.2787 9.3663 9.3686 9.6083 9.6198 9.9645 9.9701 10.6476 10.6610 10.7139 10.7196 10.7912 10.7947 11.2872 11.2924 11.8190 11.8242 15.2962 15.2963 15.3953 15.3956 16.1574 16.1574 16.5145 16.5164 k = 0.0244 0.5000 0.2529 ( 4196 PWs) bands (ev): -30.6915 -30.6915 -15.5585 -15.5585 -11.9478 -11.9474 -10.7832 -10.7832 -10.3819 -10.3813 -7.5865 -7.5862 -7.4641 -7.4558 -6.7460 -6.7445 -6.5814 -6.5757 -6.4963 -6.4955 -2.0361 -2.0333 -0.2024 -0.2004 0.1238 0.1251 4.6912 4.6915 4.9914 4.9918 5.9297 5.9310 6.0428 6.0475 6.0917 6.1102 6.1311 6.1631 6.4423 6.4507 6.4718 6.4862 6.6420 6.6425 6.7308 6.7334 7.0344 7.0373 7.2914 7.2951 7.5637 7.5772 7.7825 7.7881 8.5585 8.5615 8.9203 8.9626 9.2697 9.2826 9.3650 9.3699 9.6057 9.6273 9.9813 9.9925 10.6329 10.6589 10.7115 10.7227 10.7888 10.7959 11.2834 11.2934 11.8328 11.8431 15.2988 15.2990 15.3910 15.3916 16.1568 16.1568 16.5189 16.5229 k = 0.0366 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6914 -30.6914 -15.5578 -15.5578 -11.9482 -11.9476 -10.7825 -10.7825 -10.3857 -10.3848 -7.5846 -7.5842 -7.4610 -7.4486 -6.7449 -6.7425 -6.5830 -6.5742 -6.4971 -6.4962 -2.0402 -2.0360 -0.2063 -0.2033 0.1147 0.1167 4.6830 4.6833 4.9890 4.9896 5.9085 5.9092 6.0579 6.0625 6.0819 6.1075 6.1146 6.1594 6.4220 6.4348 6.4844 6.5045 6.6402 6.6435 6.6831 6.6895 7.0878 7.0916 7.2948 7.2999 7.5783 7.5975 7.7957 7.8040 8.5606 8.5650 8.8901 8.9496 9.2679 9.2867 9.3637 9.3718 9.6049 9.6346 10.0104 10.0271 10.6140 10.6512 10.7095 10.7260 10.7862 10.7972 11.2788 11.2932 11.8570 11.8720 15.3031 15.3034 15.3841 15.3850 16.1557 16.1557 16.5265 16.5329 k = 0.0488 0.5000 0.2529 ( 4188 PWs) bands (ev): -30.6913 -30.6913 -15.5569 -15.5569 -11.9486 -11.9478 -10.7816 -10.7816 -10.3909 -10.3898 -7.5820 -7.5814 -7.4559 -7.4394 -6.7431 -6.7398 -6.5848 -6.5727 -6.4981 -6.4972 -2.0456 -2.0400 -0.2113 -0.2074 0.1022 0.1049 4.6715 4.6719 4.9857 4.9864 5.8852 5.8855 6.0629 6.0731 6.0828 6.0865 6.1124 6.1534 6.3948 6.4109 6.5034 6.5269 6.6181 6.6232 6.6561 6.6655 7.1451 7.1498 7.3000 7.3061 7.5990 7.6233 7.8145 7.8252 8.5639 8.5697 8.8559 8.9294 9.2666 9.2908 9.3625 9.3741 9.6050 9.6409 10.0504 10.0722 10.5918 10.6387 10.7079 10.7295 10.7836 10.7988 11.2732 11.2914 11.8909 11.9101 15.3090 15.3093 15.3750 15.3761 16.1540 16.1541 16.5369 16.5464 k = 0.0610 0.5000 0.2529 ( 4188 PWs) bands (ev): -30.6911 -30.6911 -15.5558 -15.5558 -11.9492 -11.9482 -10.7805 -10.7805 -10.3973 -10.3960 -7.5785 -7.5778 -7.4490 -7.4284 -6.7407 -6.7366 -6.5868 -6.5711 -6.4989 -6.4984 -2.0524 -2.0454 -0.2176 -0.2128 0.0865 0.0898 4.6566 4.6572 4.9814 4.9822 5.8602 5.8615 6.0458 6.0602 6.0883 6.0965 6.1112 6.1460 6.3620 6.3810 6.5262 6.5489 6.5762 6.5771 6.6582 6.6651 7.2043 7.2095 7.3069 7.3137 7.6250 7.6536 7.8385 7.8516 8.5684 8.5756 8.8197 8.9041 9.2658 9.2949 9.3616 9.3769 9.6053 9.6457 10.0998 10.1259 10.5677 10.6229 10.7065 10.7331 10.7811 10.8009 11.2665 11.2879 11.9333 11.9560 15.3163 15.3167 15.3639 15.3652 16.1515 16.1516 16.5492 16.5629 k = 0.0732 0.5000 0.2529 ( 4184 PWs) bands (ev): -30.6909 -30.6909 -15.5544 -15.5544 -11.9498 -11.9486 -10.7792 -10.7792 -10.4050 -10.4034 -7.5744 -7.5735 -7.4405 -7.4157 -6.7378 -6.7327 -6.5892 -6.5697 -6.4998 -6.4995 -2.0604 -2.0521 -0.2251 -0.2194 0.0676 0.0716 4.6385 4.6392 4.9761 4.9770 5.8349 5.8372 6.0244 6.0325 6.1006 6.1097 6.1100 6.1374 6.3249 6.3461 6.5228 6.5273 6.5544 6.5837 6.6634 6.6698 7.2639 7.2691 7.3160 7.3230 7.6555 7.6876 7.8675 7.8826 8.5742 8.5827 8.7830 8.8761 9.2656 9.2988 9.3611 9.3800 9.6052 9.6492 10.1564 10.1856 10.5433 10.6056 10.7054 10.7370 10.7790 10.8035 11.2586 11.2827 11.9831 12.0088 15.3244 15.3247 15.3519 15.3532 16.1480 16.1481 16.5620 16.5818 k = 0.0854 0.5000 0.2529 ( 4184 PWs) bands (ev): -30.6907 -30.6907 -15.5528 -15.5527 -11.9506 -11.9492 -10.7778 -10.7778 -10.4137 -10.4119 -7.5694 -7.5684 -7.4304 -7.4015 -6.7344 -6.7282 -6.5921 -6.5683 -6.5011 -6.4998 -2.0697 -2.0602 -0.2336 -0.2271 0.0459 0.0505 4.6172 4.6179 4.9697 4.9706 5.8096 5.8128 5.9999 6.0032 6.1010 6.1175 6.1186 6.1297 6.2845 6.3074 6.4793 6.4851 6.5818 6.6113 6.6693 6.6762 7.3165 7.3183 7.3387 7.3388 7.6895 7.7245 7.9011 7.9179 8.5813 8.5910 8.7473 8.8470 9.2658 9.3024 9.3610 9.3832 9.6046 9.6516 10.2174 10.2486 10.5207 10.5892 10.7046 10.7410 10.7772 10.8066 11.2494 11.2760 12.0391 12.0671 15.3280 15.3291 15.3444 15.3444 16.1433 16.1435 16.5730 16.6018 k = 0.0976 0.5000 0.2529 ( 4184 PWs) bands (ev): -30.6904 -30.6904 -15.5509 -15.5509 -11.9515 -11.9500 -10.7763 -10.7763 -10.4233 -10.4213 -7.5638 -7.5626 -7.4190 -7.3859 -6.7305 -6.7231 -6.5953 -6.5672 -6.5023 -6.4995 -2.0802 -2.0695 -0.2431 -0.2359 0.0213 0.0267 4.5926 4.5933 4.9621 4.9631 5.7849 5.7889 5.9726 5.9731 6.0936 6.1097 6.1289 6.1354 6.2418 6.2662 6.4391 6.4475 6.6114 6.6394 6.6755 6.6840 7.3307 7.3383 7.3895 7.3953 7.7265 7.7637 7.9388 7.9571 8.5898 8.6006 8.7137 8.8185 9.2665 9.3058 9.3614 9.3862 9.6032 9.6529 10.2782 10.3106 10.5039 10.5774 10.7042 10.7454 10.7759 10.8102 11.2390 11.2678 12.1005 12.1302 15.3168 15.3189 15.3505 15.3515 16.1374 16.1376 16.5789 16.6209 k = 0.1098 0.5000 0.2529 ( 4180 PWs) bands (ev): -30.6901 -30.6901 -15.5488 -15.5488 -11.9525 -11.9508 -10.7747 -10.7747 -10.4336 -10.4315 -7.5574 -7.5561 -7.4066 -7.3692 -6.7261 -6.7174 -6.5989 -6.5665 -6.5030 -6.4987 -2.0920 -2.0802 -0.2534 -0.2457 -0.0058 0.0004 4.5650 4.5657 4.9533 4.9543 5.7609 5.7656 5.9408 5.9441 6.0820 6.0927 6.1394 6.1432 6.1983 6.2246 6.4043 6.4163 6.6420 6.6641 6.6814 6.6957 7.3412 7.3492 7.4495 7.4556 7.7657 7.8049 7.9802 7.9996 8.5996 8.6116 8.6832 8.7918 9.2677 9.3090 9.3623 9.3891 9.6011 9.6534 10.3289 10.3644 10.5022 10.5772 10.7042 10.7500 10.7750 10.8142 11.2275 11.2583 12.1661 12.1971 15.3011 15.3034 15.3620 15.3632 16.1301 16.1303 16.5753 16.6347 k = 0.1220 0.5000 0.2529 ( 4180 PWs) bands (ev): -30.6898 -30.6898 -15.5466 -15.5466 -11.9537 -11.9518 -10.7732 -10.7732 -10.4444 -10.4422 -7.5504 -7.5490 -7.3932 -7.3517 -6.7215 -6.7112 -6.6028 -6.5661 -6.5031 -6.4973 -2.1049 -2.0920 -0.2646 -0.2564 -0.0352 -0.0282 4.5344 4.5351 4.9432 4.9441 5.7379 5.7432 5.9079 5.9132 6.0659 6.0715 6.1425 6.1430 6.1611 6.1893 6.3760 6.3920 6.6731 6.6793 6.6869 6.7166 7.3510 7.3590 7.5100 7.5160 7.8069 7.8478 8.0248 8.0450 8.6104 8.6239 8.6568 8.7677 9.2694 9.3120 9.3635 9.3918 9.5984 9.6532 10.3540 10.3987 10.5304 10.5990 10.7051 10.7549 10.7746 10.8187 11.2151 11.2478 12.2351 12.2668 15.2844 15.2868 15.3748 15.3763 16.1215 16.1217 16.5591 16.6340 k = 0.1341 0.5000 0.2529 ( 4184 PWs) bands (ev): -30.6894 -30.6894 -15.5441 -15.5441 -11.9550 -11.9530 -10.7718 -10.7718 -10.4556 -10.4533 -7.5427 -7.5412 -7.3793 -7.3337 -6.7166 -6.7045 -6.6067 -6.5662 -6.5025 -6.4952 -2.1189 -2.1051 -0.2765 -0.2680 -0.0666 -0.0588 4.5009 4.5016 4.9316 4.9324 5.7160 5.7218 5.8738 5.8805 6.0448 6.0470 6.1067 6.1173 6.1629 6.1785 6.3544 6.3743 6.6868 6.6915 6.7044 6.7444 7.3599 7.3678 7.5704 7.5760 7.8495 7.8919 8.0723 8.0928 8.6187 8.6375 8.6386 8.7470 9.2717 9.3149 9.3649 9.3940 9.5951 9.6523 10.3536 10.4097 10.5876 10.6449 10.7079 10.7603 10.7748 10.8236 11.2022 11.2365 12.3067 12.3388 15.2672 15.2697 15.3882 15.3900 16.1115 16.1117 16.5312 16.6076 k = 0.1463 0.5000 0.2529 ( 4184 PWs) bands (ev): -30.6890 -30.6890 -15.5415 -15.5415 -11.9564 -11.9542 -10.7707 -10.7707 -10.4669 -10.4645 -7.5344 -7.5328 -7.3649 -7.3153 -6.7115 -6.6973 -6.6103 -6.5666 -6.5010 -6.4925 -2.1340 -2.1193 -0.2889 -0.2804 -0.0999 -0.0911 4.4649 4.4654 4.9184 4.9192 5.6954 5.7016 5.8385 5.8459 6.0186 6.0199 6.0660 6.0768 6.1715 6.1824 6.3393 6.3624 6.6910 6.6951 6.7355 6.7739 7.3676 7.3753 7.6303 7.6355 7.8935 7.9373 8.1221 8.1428 8.6102 8.6435 8.6524 8.7302 9.2744 9.3177 9.3665 9.3959 9.5914 9.6510 10.3422 10.4063 10.6583 10.6907 10.7272 10.7663 10.7760 10.8294 11.1893 11.2247 12.3802 12.4124 15.2499 15.2524 15.4020 15.4040 16.1001 16.1003 16.4950 16.5621 k = 0.1585 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6886 -30.6886 -15.5387 -15.5387 -11.9580 -11.9557 -10.7699 -10.7699 -10.4780 -10.4756 -7.5256 -7.5238 -7.3505 -7.2970 -6.7063 -6.6897 -6.6135 -6.5673 -6.4987 -6.4892 -2.1501 -2.1346 -0.3019 -0.2935 -0.1347 -0.1248 4.4264 4.4269 4.9035 4.9041 5.6762 5.6826 5.8021 5.8095 5.9869 5.9913 6.0289 6.0347 6.1800 6.1888 6.3299 6.3554 6.6933 6.6976 6.7661 6.8037 7.3737 7.3811 7.6896 7.6943 7.9386 7.9838 8.1739 8.1945 8.5979 8.6586 8.6684 8.7178 9.2774 9.3204 9.3682 9.3974 9.5871 9.6491 10.3278 10.3973 10.7012 10.7295 10.7742 10.7807 10.7861 10.8382 11.1772 11.2132 12.4550 12.4870 15.2327 15.2353 15.4156 15.4179 16.0874 16.0877 16.4546 16.5106 k = 0.1707 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6882 -30.6882 -15.5357 -15.5357 -11.9597 -11.9573 -10.7695 -10.7695 -10.4889 -10.4864 -7.5163 -7.5144 -7.3363 -7.2791 -6.7013 -6.6817 -6.6157 -6.5679 -6.4957 -6.4854 -2.1672 -2.1510 -0.3153 -0.3075 -0.1708 -0.1594 4.3858 4.3862 4.8868 4.8873 5.6582 5.6649 5.7649 5.7717 5.9508 5.9612 5.9948 5.9964 6.1883 6.1955 6.3249 6.3522 6.6939 6.6986 6.7961 6.8330 7.3780 7.3849 7.7481 7.7522 7.9845 8.0313 8.2274 8.2476 8.5897 8.6763 8.6843 8.7111 9.2809 9.3231 9.3700 9.3985 9.5825 9.6468 10.3135 10.3867 10.7046 10.7650 10.7804 10.8248 10.8288 10.8718 11.1676 11.2026 12.5308 12.5623 15.2159 15.2185 15.4290 15.4316 16.0736 16.0738 16.4130 16.4590 k = 0.1829 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6877 -30.6877 -15.5327 -15.5326 -11.9616 -11.9591 -10.7697 -10.7697 -10.4991 -10.4966 -7.5065 -7.5045 -7.3225 -7.2620 -6.6964 -6.6733 -6.6168 -6.5683 -6.4919 -6.4811 -2.1851 -2.1683 -0.3290 -0.3225 -0.2078 -0.1945 4.3433 4.3436 4.8682 4.8685 5.6416 5.6485 5.7269 5.7326 5.9131 5.9290 5.9594 5.9674 6.1962 6.2022 6.3235 6.3518 6.6928 6.6983 6.8252 6.8614 7.3802 7.3866 7.8056 7.8091 8.0312 8.0797 8.2822 8.3017 8.5865 8.6950 8.6958 8.7154 9.2845 9.3257 9.3717 9.3992 9.5774 9.6439 10.3004 10.3764 10.7074 10.7716 10.7863 10.8398 10.8967 10.9335 11.1641 11.1948 12.6068 12.6377 15.1995 15.2021 15.4417 15.4446 16.0586 16.0588 16.3721 16.4096 k = 0.1951 0.5000 0.2529 ( 4196 PWs) bands (ev): -30.6873 -30.6873 -15.5295 -15.5295 -11.9636 -11.9610 -10.7707 -10.7707 -10.5085 -10.5061 -7.4962 -7.4941 -7.3095 -7.2459 -6.6916 -6.6648 -6.6163 -6.5682 -6.4876 -6.4764 -2.2037 -2.1864 -0.3432 -0.3386 -0.2454 -0.2296 4.2994 4.2995 4.8477 4.8478 5.6261 5.6334 5.6886 5.6928 5.8757 5.8945 5.9294 5.9407 6.2037 6.2087 6.3247 6.3535 6.6903 6.6964 6.8532 6.8887 7.3802 7.3860 7.8619 7.8648 8.0785 8.1291 8.3380 8.3567 8.5882 8.6988 8.7168 8.7320 9.2883 9.3282 9.3733 9.3995 9.5720 9.6406 10.2892 10.3673 10.7104 10.7750 10.7931 10.8469 10.9647 10.9855 11.1747 11.1937 12.6828 12.7128 15.1836 15.1863 15.4535 15.4567 16.0426 16.0428 16.3333 16.3636 k = 0.2073 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6868 -30.6868 -15.5262 -15.5262 -11.9658 -11.9631 -10.7724 -10.7724 -10.5170 -10.5146 -7.4857 -7.4835 -7.2973 -7.2313 -6.6869 -6.6560 -6.6142 -6.5674 -6.4828 -6.4714 -2.2231 -2.2054 -0.3579 -0.3564 -0.2831 -0.2637 4.2542 4.2542 4.8251 4.8253 5.6112 5.6195 5.6509 5.6527 5.8400 5.8597 5.9037 5.9160 6.2111 6.2150 6.3278 6.3568 6.6862 6.6930 6.8800 6.9148 7.3780 7.3831 7.9168 7.9191 8.1262 8.1793 8.3946 8.4122 8.5948 8.7035 8.7393 8.7529 9.2920 9.3305 9.3749 9.3995 9.5663 9.6369 10.2800 10.3597 10.7136 10.7778 10.8007 10.8535 11.0138 11.0177 11.2077 11.2094 12.7583 12.7874 15.1684 15.1710 15.4642 15.4677 16.0258 16.0259 16.2973 16.3215 k = 0.2195 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6863 -30.6863 -15.5228 -15.5228 -11.9681 -11.9653 -10.7751 -10.7750 -10.5243 -10.5219 -7.4748 -7.4725 -7.2864 -7.2185 -6.6820 -6.6471 -6.6105 -6.5656 -6.4776 -6.4660 -2.2430 -2.2250 -0.3769 -0.3738 -0.3199 -0.2956 4.2079 4.2081 4.8005 4.8009 5.5942 5.6056 5.6139 5.6167 5.8065 5.8262 5.8809 5.8929 6.2182 6.2211 6.3324 6.3613 6.6807 6.6882 6.9054 6.9395 7.3737 7.3781 7.9701 7.9719 8.1741 8.2301 8.4517 8.4679 8.6061 8.7113 8.7631 8.7755 9.2956 9.3327 9.3764 9.3991 9.5602 9.6325 10.2728 10.3538 10.7173 10.7806 10.8087 10.8601 11.0199 11.0456 11.2456 11.2657 12.8331 12.8610 15.1539 15.1565 15.4736 15.4774 16.0081 16.0083 16.2647 16.2836 k = 0.2317 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6858 -30.6858 -15.5194 -15.5194 -11.9706 -11.9677 -10.7786 -10.7786 -10.5302 -10.5279 -7.4638 -7.4613 -7.2767 -7.2078 -6.6767 -6.6381 -6.6054 -6.5626 -6.4721 -6.4604 -2.2633 -2.2452 -0.4012 -0.3928 -0.3537 -0.3239 4.1611 4.1614 4.7741 4.7747 5.5658 5.5721 5.5955 5.5963 5.7755 5.7949 5.8602 5.8716 6.2252 6.2270 6.3381 6.3667 6.6738 6.6820 6.9294 6.9627 7.3674 7.3711 8.0216 8.0230 8.2219 8.2814 8.5091 8.5235 8.6221 8.7224 8.7881 8.7992 9.2990 9.3346 9.3779 9.3985 9.5539 9.6277 10.2678 10.3495 10.7214 10.7836 10.8173 10.8667 11.0142 11.0518 11.3040 11.3329 12.9067 12.9335 15.1402 15.1428 15.4817 15.4857 15.9899 15.9902 16.2357 16.2502 k = 0.2439 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6853 -30.6853 -15.5160 -15.5160 -11.9731 -11.9702 -10.7832 -10.7831 -10.5349 -10.5326 -7.4525 -7.4499 -7.2686 -7.1993 -6.6705 -6.6292 -6.5990 -6.5585 -6.4662 -6.4546 -2.2840 -2.2658 -0.4296 -0.4189 -0.3800 -0.3478 4.1141 4.1145 4.7459 4.7468 5.5303 5.5335 5.5833 5.5859 5.7474 5.7660 5.8412 5.8518 6.2320 6.2329 6.3445 6.3727 6.6657 6.6745 6.9519 6.9843 7.3594 7.3624 8.0713 8.0723 8.2693 8.3330 8.5664 8.5783 8.6428 8.7366 8.8140 8.8237 9.3020 9.3361 9.3794 9.3976 9.5472 9.6223 10.2647 10.3469 10.7258 10.7868 10.8263 10.8732 11.0036 11.0468 11.3720 11.4038 12.9789 13.0045 15.1273 15.1298 15.4884 15.4925 15.9711 15.9716 16.2103 16.2210 k = 0.2561 0.5000 0.2529 ( 4196 PWs) bands (ev): -30.6848 -30.6848 -15.5125 -15.5125 -11.9758 -11.9729 -10.7886 -10.7885 -10.5381 -10.5360 -7.4412 -7.4384 -7.2619 -7.1932 -6.6633 -6.6204 -6.5916 -6.5531 -6.4602 -6.4486 -2.3049 -2.2867 -0.4614 -0.4521 -0.3987 -0.3679 4.0671 4.0676 4.7164 4.7174 5.4943 5.4957 5.5736 5.5767 5.7220 5.7398 5.8238 5.8334 6.2386 6.2386 6.3516 6.3792 6.6565 6.6658 6.9728 7.0044 7.3498 7.3522 8.1189 8.1196 8.3161 8.3845 8.6235 8.6306 8.6695 8.7537 8.8407 8.8489 9.3047 9.3373 9.3808 9.3965 9.5403 9.6162 10.2633 10.3456 10.7307 10.7901 10.8357 10.8794 10.9911 11.0368 11.4431 11.4753 13.0494 13.0736 15.1152 15.1177 15.4939 15.4980 15.9520 15.9527 16.1884 16.1960 k = 0.2683 0.5000 0.2529 ( 4196 PWs) bands (ev): -30.6843 -30.6843 -15.5091 -15.5091 -11.9786 -11.9757 -10.7948 -10.7947 -10.5401 -10.5381 -7.4298 -7.4269 -7.2569 -7.1894 -6.6549 -6.6115 -6.5834 -6.5466 -6.4539 -6.4424 -2.3258 -2.3078 -0.4952 -0.4881 -0.4137 -0.3852 4.0205 4.0211 4.6856 4.6869 5.4591 5.4592 5.5653 5.5685 5.6993 5.7163 5.8078 5.8165 6.2442 6.2451 6.3590 6.3860 6.6463 6.6561 6.9921 7.0229 7.3389 7.3408 8.1644 8.1649 8.3620 8.4358 8.6749 8.6799 8.7069 8.7734 8.8679 8.8743 9.3068 9.3382 9.3823 9.3951 9.5333 9.6095 10.2636 10.3456 10.7358 10.7936 10.8454 10.8852 10.9786 11.0246 11.5144 11.5459 13.1179 13.1408 15.1039 15.1063 15.4985 15.5024 15.9327 15.9337 16.1697 16.1747 k = 0.2805 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6838 -30.6838 -15.5056 -15.5056 -11.9815 -11.9786 -10.8017 -10.8016 -10.5410 -10.5390 -7.4185 -7.4154 -7.2534 -7.1880 -6.6453 -6.6027 -6.5747 -6.5392 -6.4475 -6.4362 -2.3468 -2.3290 -0.5299 -0.5245 -0.4271 -0.4007 3.9746 3.9752 4.6540 4.6554 5.4241 5.4250 5.5581 5.5613 5.6792 5.6953 5.7930 5.8009 6.2497 6.2514 6.3667 6.3929 6.6352 6.6454 7.0099 7.0398 7.3270 7.3285 8.2076 8.2080 8.4067 8.4866 8.7103 8.7353 8.7553 8.7956 8.8954 8.9000 9.3084 9.3387 9.3837 9.3933 9.5261 9.6022 10.2652 10.3465 10.7411 10.7972 10.8553 10.8898 10.9673 11.0115 11.5844 11.6146 13.1842 13.2057 15.0935 15.0958 15.5023 15.5060 15.9133 15.9146 16.1537 16.1566 k = 0.2927 0.5000 0.2529 ( 4208 PWs) bands (ev): -30.6833 -30.6833 -15.5023 -15.5022 -11.9844 -11.9816 -10.8090 -10.8090 -10.5407 -10.5389 -7.4073 -7.4040 -7.2513 -7.1887 -6.6347 -6.5939 -6.5655 -6.5310 -6.4408 -6.4299 -2.3675 -2.3501 -0.5645 -0.5605 -0.4396 -0.4149 3.9296 3.9303 4.6218 4.6234 5.3906 5.3923 5.5519 5.5549 5.6617 5.6768 5.7795 5.7865 6.2551 6.2577 6.3745 6.3999 6.6235 6.6341 7.0261 7.0551 7.3143 7.3156 8.2486 8.2490 8.4500 8.5364 8.7439 8.7885 8.8069 8.8209 8.9232 8.9255 9.3097 9.3389 9.3850 9.3911 9.5190 9.5941 10.2681 10.3483 10.7467 10.8008 10.8653 10.8924 10.9585 10.9983 11.6524 11.6811 13.2482 13.2683 15.0839 15.0861 15.5060 15.5092 15.8939 15.8955 16.1399 16.1411 k = 0.3049 0.5000 0.2529 ( 4208 PWs) bands (ev): -30.6828 -30.6828 -15.4989 -15.4989 -11.9874 -11.9846 -10.8167 -10.8166 -10.5396 -10.5379 -7.3963 -7.3928 -7.2505 -7.1912 -6.6232 -6.5851 -6.5561 -6.5223 -6.4340 -6.4235 -2.3879 -2.3710 -0.5987 -0.5957 -0.4513 -0.4282 3.8858 3.8865 4.5895 4.5911 5.3589 5.3612 5.5465 5.5494 5.6464 5.6605 5.7671 5.7733 6.2605 6.2639 6.3824 6.4068 6.6112 6.6221 7.0409 7.0689 7.3012 7.3023 8.2873 8.2877 8.4919 8.5849 8.7783 8.8339 8.8545 8.8583 8.9507 8.9509 9.3106 9.3389 9.3862 9.3882 9.5119 9.5853 10.2720 10.3507 10.7524 10.8046 10.8751 10.8919 10.9536 10.9856 11.7179 11.7449 13.3095 13.3282 15.0752 15.0773 15.5098 15.5125 15.8747 15.8765 16.1277 16.1277 k = 0.3171 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6824 -30.6824 -15.4957 -15.4957 -11.9904 -11.9877 -10.8245 -10.8245 -10.5378 -10.5361 -7.3855 -7.3818 -7.2510 -7.1954 -6.6111 -6.5763 -6.5466 -6.5135 -6.4270 -6.4171 -2.4079 -2.3915 -0.6320 -0.6297 -0.4624 -0.4407 3.8434 3.8442 4.5572 4.5590 5.3289 5.3317 5.5418 5.5446 5.6332 5.6463 5.7558 5.7613 6.2659 6.2699 6.3902 6.4135 6.5985 6.6097 7.0541 7.0812 7.2877 7.2888 8.3236 8.3241 8.5321 8.6319 8.8135 8.8657 8.9012 8.9084 8.9754 8.9785 9.3115 9.3388 9.3847 9.3872 9.5050 9.5758 10.2767 10.3533 10.7582 10.8083 10.8845 10.8881 10.9530 10.9738 11.7804 11.8057 13.3681 13.3853 15.0672 15.0693 15.5141 15.5162 15.8558 15.8579 16.1156 16.1165 k = 0.3293 0.5000 0.2529 ( 4212 PWs) bands (ev): -30.6819 -30.6819 -15.4926 -15.4926 -11.9933 -11.9907 -10.8324 -10.8323 -10.5353 -10.5338 -7.3751 -7.3711 -7.2524 -7.2009 -6.5986 -6.5675 -6.5371 -6.5049 -6.4198 -6.4107 -2.4272 -2.4116 -0.6641 -0.6624 -0.4728 -0.4524 3.8027 3.8036 4.5255 4.5273 5.3008 5.3039 5.5378 5.5405 5.6219 5.6340 5.7454 5.7503 6.2712 6.2759 6.3978 6.4200 6.5857 6.5971 7.0661 7.0921 7.2743 7.2754 8.3575 8.3582 8.5708 8.6770 8.8494 8.8943 8.9502 8.9563 8.9994 9.0063 9.3123 9.3385 9.3803 9.3881 9.4984 9.5656 10.2819 10.3561 10.7639 10.8119 10.8818 10.8927 10.9558 10.9636 11.8397 11.8632 13.4236 13.4395 15.0600 15.0620 15.5193 15.5207 15.8373 15.8396 16.1043 16.1057 k = 0.3415 0.5000 0.2529 ( 4208 PWs) bands (ev): -30.6815 -30.6815 -15.4896 -15.4896 -11.9963 -11.9938 -10.8401 -10.8401 -10.5325 -10.5311 -7.3651 -7.3608 -7.2546 -7.2074 -6.5860 -6.5587 -6.5278 -6.4965 -6.4124 -6.4042 -2.4459 -2.4309 -0.6948 -0.6935 -0.4826 -0.4635 3.7639 3.7648 4.4945 4.4963 5.2746 5.2780 5.5344 5.5371 5.6123 5.6233 5.7360 5.7403 6.2764 6.2818 6.4053 6.4262 6.5727 6.5843 7.0766 7.1017 7.2611 7.2624 8.3891 8.3899 8.6080 8.7199 8.8852 8.9226 8.9974 9.0005 9.0229 9.0351 9.3134 9.3382 9.3751 9.3887 9.4921 9.5547 10.2875 10.3588 10.7695 10.8155 10.8746 10.8986 10.9564 10.9609 11.8957 11.9173 13.4760 13.4905 15.0536 15.0554 15.5257 15.5264 15.8194 15.8219 16.0932 16.0948 k = 0.3537 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6811 -30.6811 -15.4867 -15.4867 -11.9991 -11.9968 -10.8476 -10.8475 -10.5293 -10.5280 -7.3556 -7.3510 -7.2574 -7.2146 -6.5735 -6.5500 -6.5187 -6.4888 -6.4049 -6.3977 -2.4637 -2.4495 -0.7238 -0.7229 -0.4916 -0.4739 3.7273 3.7281 4.4647 4.4665 5.2503 5.2539 5.5315 5.5341 5.6042 5.6141 5.7276 5.7312 6.2817 6.2875 6.4124 6.4320 6.5598 6.5715 7.0859 7.1100 7.2484 7.2500 8.4183 8.4193 8.6438 8.7604 8.9204 8.9507 9.0381 9.0386 9.0492 9.0674 9.3148 9.3378 9.3692 9.3892 9.4861 9.5431 10.2934 10.3612 10.7751 10.8190 10.8675 10.9005 10.9535 10.9670 11.9481 11.9679 13.5252 13.5384 15.0480 15.0496 15.5335 15.5336 15.8023 15.8049 16.0817 16.0834 k = 0.3659 0.5000 0.2529 ( 4188 PWs) bands (ev): -30.6807 -30.6807 -15.4840 -15.4840 -12.0019 -11.9997 -10.8547 -10.8547 -10.5260 -10.5248 -7.3467 -7.3416 -7.2605 -7.2223 -6.5614 -6.5415 -6.5101 -6.4819 -6.3972 -6.3912 -2.4805 -2.4672 -0.7512 -0.7505 -0.5000 -0.4836 3.6928 3.6936 4.4363 4.4380 5.2280 5.2316 5.5291 5.5317 5.5974 5.6063 5.7199 5.7231 6.2868 6.2932 6.4193 6.4374 6.5472 6.5589 7.0940 7.1169 7.2362 7.2382 8.4452 8.4464 8.6782 8.7983 8.9543 8.9781 9.0628 9.0678 9.0888 9.1041 9.3168 9.3374 9.3628 9.3897 9.4804 9.5310 10.2993 10.3632 10.7804 10.8223 10.8610 10.8980 10.9556 10.9737 11.9968 12.0148 13.5710 13.5829 15.0430 15.0445 15.5422 15.5430 15.7860 15.7887 16.0696 16.0711 k = 0.3780 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6803 -30.6803 -15.4815 -15.4815 -12.0046 -12.0025 -10.8614 -10.8614 -10.5226 -10.5215 -7.3384 -7.3329 -7.2638 -7.2303 -6.5497 -6.5332 -6.5021 -6.4758 -6.3896 -6.3848 -2.4962 -2.4839 -0.7766 -0.7761 -0.5077 -0.4926 3.6608 3.6616 4.4095 4.4111 5.2077 5.2112 5.5272 5.5296 5.5917 5.5996 5.7131 5.7158 6.2919 6.2986 6.4257 6.4424 6.5349 6.5466 7.1008 7.1226 7.2250 7.2273 8.4696 8.4711 8.7112 8.8334 8.9862 9.0043 9.0823 9.0926 9.1288 9.1419 9.3195 9.3368 9.3561 9.3901 9.4748 9.5184 10.3051 10.3647 10.7854 10.8253 10.8554 10.8924 10.9612 10.9805 12.0416 12.0579 13.6132 13.6238 15.0386 15.0400 15.5525 15.5541 15.7707 15.7734 16.0565 16.0576 k = 0.3902 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6800 -30.6800 -15.4791 -15.4791 -12.0070 -12.0051 -10.8677 -10.8676 -10.5193 -10.5183 -7.3309 -7.3248 -7.2670 -7.2382 -6.5387 -6.5253 -6.4949 -6.4707 -6.3820 -6.3785 -2.5107 -2.4995 -0.8000 -0.7996 -0.5146 -0.5009 3.6315 3.6322 4.3846 4.3861 5.1894 5.1928 5.5255 5.5279 5.5871 5.5940 5.7070 5.7093 6.2970 6.3039 6.4317 6.4467 6.5232 6.5348 7.1065 7.1271 7.2147 7.2174 8.4917 8.4933 8.7429 8.8655 9.0157 9.0287 9.1001 9.1147 9.1661 9.1781 9.3229 9.3361 9.3495 9.3906 9.4694 9.5053 10.3108 10.3655 10.7901 10.8281 10.8509 10.8854 10.9684 10.9871 12.0825 12.0970 13.6518 13.6612 15.0348 15.0361 15.5645 15.5667 15.7566 15.7593 16.0423 16.0430 k = 0.4024 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6797 -30.6797 -15.4770 -15.4770 -12.0094 -12.0076 -10.8733 -10.8733 -10.5161 -10.5152 -7.3242 -7.3175 -7.2699 -7.2459 -6.5284 -6.5177 -6.4884 -6.4666 -6.3748 -6.3724 -2.5239 -2.5138 -0.8212 -0.8209 -0.5208 -0.5085 3.6048 3.6054 4.3618 4.3632 5.1730 5.1762 5.5242 5.5265 5.5833 5.5893 5.7017 5.7036 6.3019 6.3090 6.4371 6.4504 6.5122 6.5236 7.1111 7.1302 7.2058 7.2088 8.5115 8.5132 8.7735 8.8944 9.0421 9.0506 9.1162 9.1348 9.2003 9.2117 9.3269 9.3352 9.3438 9.3913 9.4640 9.4920 10.3162 10.3657 10.7946 10.8306 10.8476 10.8780 10.9761 10.9933 12.1193 12.1321 13.6867 13.6948 15.0316 15.0327 15.5780 15.5807 15.7439 15.7464 16.0269 16.0270 k = 0.4146 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6794 -30.6794 -15.4751 -15.4751 -12.0114 -12.0099 -10.8784 -10.8784 -10.5131 -10.5123 -7.3185 -7.3109 -7.2724 -7.2532 -6.5188 -6.5106 -6.4828 -6.4635 -6.3680 -6.3666 -2.5357 -2.5267 -0.8401 -0.8400 -0.5262 -0.5153 3.5810 3.5816 4.3413 4.3425 5.1587 5.1616 5.5232 5.5253 5.5803 5.5853 5.6971 5.6987 6.3068 6.3138 6.4420 6.4535 6.5021 6.5132 7.1146 7.1320 7.1984 7.2015 8.5289 8.5307 8.8027 8.9198 9.0651 9.0699 9.1306 9.1528 9.2310 9.2423 9.3307 9.3339 9.3402 9.3923 9.4586 9.4785 10.3213 10.3653 10.7987 10.8327 10.8453 10.8709 10.9837 10.9991 12.1521 12.1632 13.7177 13.7247 15.0289 15.0299 15.5926 15.5958 15.7327 15.7351 16.0100 16.0104 k = 0.4268 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6792 -30.6792 -15.4734 -15.4734 -12.0133 -12.0120 -10.8829 -10.8829 -10.5103 -10.5097 -7.3136 -7.3053 -7.2744 -7.2599 -6.5101 -6.5041 -6.4782 -6.4613 -6.3618 -6.3611 -2.5460 -2.5382 -0.8567 -0.8566 -0.5308 -0.5214 3.5602 3.5607 4.3232 4.3243 5.1463 5.1489 5.5224 5.5243 5.5779 5.5821 5.6931 5.6944 6.3115 6.3182 6.4461 6.4557 6.4932 6.5039 7.1172 7.1325 7.1926 7.1955 8.5440 8.5458 8.8306 8.9411 9.0845 9.0861 9.1434 9.1686 9.2579 9.2697 9.3319 9.3324 9.3417 9.3935 9.4530 9.4653 10.3261 10.3642 10.8026 10.8344 10.8439 10.8642 10.9909 11.0042 12.1806 12.1901 13.7447 13.7507 15.0267 15.0276 15.6079 15.6114 15.7233 15.7256 15.9922 15.9931 k = 0.4390 0.5000 0.2529 ( 4208 PWs) bands (ev): -30.6790 -30.6790 -15.4720 -15.4720 -12.0149 -12.0138 -10.8867 -10.8867 -10.5079 -10.5073 -7.3098 -7.3008 -7.2757 -7.2658 -6.5022 -6.4981 -6.4745 -6.4600 -6.3563 -6.3562 -2.5548 -2.5482 -0.8709 -0.8709 -0.5346 -0.5267 3.5424 3.5428 4.3077 4.3086 5.1359 5.1381 5.5218 5.5234 5.5761 5.5795 5.6899 5.6909 6.3159 6.3222 6.4493 6.4570 6.4859 6.4958 7.1189 7.1319 7.1883 7.1908 8.5568 8.5584 8.8570 8.9577 9.0995 9.1003 9.1548 9.1816 9.2803 9.2936 9.3306 9.3320 9.3472 9.3950 9.4474 9.4524 10.3306 10.3627 10.8064 10.8355 10.8433 10.8581 10.9974 11.0086 12.2050 12.2129 13.7678 13.7727 15.0249 15.0256 15.6232 15.6267 15.7162 15.7182 15.9741 15.9754 k = 0.4512 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6788 -30.6788 -15.4708 -15.4708 -12.0162 -12.0153 -10.8899 -10.8899 -10.5059 -10.5054 -7.3067 -7.2975 -7.2763 -7.2705 -6.4954 -6.4929 -6.4716 -6.4596 -6.3519 -6.3517 -2.5619 -2.5566 -0.8826 -0.8826 -0.5376 -0.5312 3.5277 3.5281 4.2948 4.2956 5.1274 5.1293 5.5214 5.5228 5.5748 5.5775 5.6872 5.6880 6.3200 6.3256 6.4514 6.4572 6.4804 6.4892 7.1200 7.1304 7.1854 7.1874 8.5672 8.5687 8.8818 8.9690 9.1101 9.1126 9.1651 9.1916 9.2973 9.3138 9.3286 9.3346 9.3540 9.3967 9.4402 9.4415 10.3349 10.3607 10.8100 10.8357 10.8432 10.8530 11.0032 11.0121 12.2252 12.2314 13.7869 13.7908 15.0235 15.0241 15.6373 15.6406 15.7117 15.7136 15.9564 15.9579 k = 0.4634 0.5000 0.2529 ( 4204 PWs) bands (ev): -30.6787 -30.6787 -15.4698 -15.4698 -12.0172 -12.0165 -10.8923 -10.8923 -10.5042 -10.5039 -7.3043 -7.2957 -7.2766 -7.2739 -6.4896 -6.4885 -6.4694 -6.4599 -6.3484 -6.3480 -2.5674 -2.5634 -0.8917 -0.8917 -0.5397 -0.5350 3.5163 3.5166 4.2848 4.2854 5.1209 5.1223 5.5212 5.5223 5.5739 5.5759 5.6852 5.6858 6.3237 6.3282 6.4523 6.4565 6.4771 6.4842 7.1207 7.1285 7.1835 7.1849 8.5755 8.5767 8.9047 8.9746 9.1185 9.1216 9.1746 9.1981 9.3077 9.3258 9.3307 9.3405 9.3615 9.3984 9.4291 9.4356 10.3389 10.3583 10.8137 10.8348 10.8434 10.8492 11.0080 11.0147 12.2410 12.2457 13.8019 13.8048 15.0225 15.0229 15.6487 15.6514 15.7105 15.7122 15.9401 15.9417 k = 0.4756 0.5000 0.2529 ( 4212 PWs) bands (ev): -30.6786 -30.6786 -15.4692 -15.4692 -12.0179 -12.0174 -10.8941 -10.8941 -10.5030 -10.5028 -7.3022 -7.2955 -7.2766 -7.2758 -6.4852 -6.4850 -6.4677 -6.4610 -6.3458 -6.3454 -2.5711 -2.5684 -0.8983 -0.8983 -0.5410 -0.5378 3.5081 3.5083 4.2776 4.2780 5.1163 5.1173 5.5211 5.5218 5.5734 5.5747 5.6838 5.6842 6.3267 6.3300 6.4522 6.4551 6.4758 6.4808 7.1214 7.1265 7.1824 7.1833 8.5814 8.5822 8.9253 8.9743 9.1247 9.1275 9.1833 9.2010 9.3134 9.3239 9.3424 9.3473 9.3700 9.3992 9.4202 9.4295 10.3426 10.3556 10.8174 10.8324 10.8438 10.8469 11.0117 11.0162 12.2526 12.2557 13.8128 13.8147 15.0218 15.0221 15.6563 15.6582 15.7124 15.7138 15.9267 15.9280 k = 0.4878 0.5000 0.2529 ( 4212 PWs) bands (ev): -30.6785 -30.6785 -15.4688 -15.4688 -12.0183 -12.0180 -10.8951 -10.8951 -10.5022 -10.5021 -7.3003 -7.2966 -7.2766 -7.2765 -6.4826 -6.4825 -6.4661 -6.4625 -6.3441 -6.3439 -2.5731 -2.5717 -0.9022 -0.9022 -0.5415 -0.5399 3.5032 3.5033 4.2733 4.2735 5.1137 5.1142 5.5211 5.5214 5.5732 5.5739 5.6830 5.6832 6.3290 6.3307 6.4521 6.4536 6.4760 6.4785 7.1222 7.1247 7.1820 7.1824 8.5850 8.5855 8.9432 8.9685 9.1288 9.1305 9.1909 9.2005 9.3168 9.3217 9.3499 9.3520 9.3793 9.3963 9.4165 9.4237 10.3461 10.3526 10.8213 10.8290 10.8443 10.8456 11.0145 11.0167 12.2598 12.2614 13.8195 13.8204 15.0214 15.0216 15.6603 15.6612 15.7156 15.7165 15.9177 15.9185 k = 0.5000 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0183 -12.0183 -10.8955 -10.8955 -10.5019 -10.5019 -7.2984 -7.2984 -7.2766 -7.2766 -6.4817 -6.4817 -6.4643 -6.4643 -6.3435 -6.3435 -2.5733 -2.5733 -0.9036 -0.9036 -0.5411 -0.5411 3.5016 3.5016 4.2719 4.2719 5.1130 5.1130 5.5212 5.5212 5.5734 5.5734 5.6828 5.6828 6.3304 6.3304 6.4525 6.4525 6.4770 6.4770 7.1233 7.1233 7.1820 7.1820 8.5864 8.5864 8.9579 8.9579 9.1308 9.1308 9.1969 9.1969 9.3194 9.3194 9.3530 9.3530 9.3887 9.3887 9.4188 9.4188 10.3495 10.3495 10.8252 10.8252 10.8449 10.8449 11.0162 11.0162 12.2628 12.2628 13.8221 13.8221 15.0214 15.0214 15.6617 15.6617 15.7174 15.7174 15.9149 15.9149 k = 0.5000 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0183 -12.0183 -10.8955 -10.8955 -10.5019 -10.5019 -7.2984 -7.2984 -7.2766 -7.2766 -6.4817 -6.4817 -6.4643 -6.4643 -6.3435 -6.3435 -2.5733 -2.5733 -0.9036 -0.9036 -0.5411 -0.5411 3.5016 3.5016 4.2719 4.2719 5.1130 5.1130 5.5212 5.5212 5.5734 5.5734 5.6828 5.6828 6.3304 6.3304 6.4525 6.4525 6.4770 6.4770 7.1233 7.1233 7.1820 7.1820 8.5864 8.5864 8.9579 8.9579 9.1308 9.1308 9.1969 9.1969 9.3194 9.3194 9.3530 9.3530 9.3887 9.3887 9.4188 9.4188 10.3495 10.3495 10.8252 10.8252 10.8449 10.8449 11.0162 11.0162 12.2628 12.2628 13.8221 13.8221 15.0214 15.0214 15.6617 15.6617 15.7174 15.7174 15.9149 15.9149 k = 0.4914 0.4914 0.2529 ( 4204 PWs) bands (ev): -30.6785 -30.6785 -15.4688 -15.4688 -12.0183 -12.0180 -10.8951 -10.8951 -10.5022 -10.5021 -7.3003 -7.2966 -7.2766 -7.2765 -6.4827 -6.4825 -6.4661 -6.4625 -6.3441 -6.3439 -2.5731 -2.5717 -0.9022 -0.9022 -0.5415 -0.5399 3.5032 3.5033 4.2733 4.2735 5.1137 5.1142 5.5211 5.5215 5.5732 5.5739 5.6830 5.6832 6.3290 6.3307 6.4521 6.4536 6.4760 6.4785 7.1222 7.1247 7.1820 7.1824 8.5850 8.5855 8.9432 8.9685 9.1288 9.1305 9.1909 9.2005 9.3168 9.3217 9.3500 9.3519 9.3793 9.3966 9.4158 9.4242 10.3461 10.3526 10.8213 10.8289 10.8444 10.8456 11.0145 11.0167 12.2598 12.2614 13.8195 13.8205 15.0214 15.0216 15.6603 15.6612 15.7155 15.7165 15.9177 15.9186 k = 0.4828 0.4828 0.2529 ( 4212 PWs) bands (ev): -30.6786 -30.6786 -15.4692 -15.4692 -12.0179 -12.0174 -10.8941 -10.8941 -10.5030 -10.5028 -7.3025 -7.2948 -7.2765 -7.2763 -6.4856 -6.4847 -6.4677 -6.4609 -6.3458 -6.3454 -2.5711 -2.5684 -0.8983 -0.8983 -0.5410 -0.5378 3.5081 3.5083 4.2776 4.2780 5.1163 5.1173 5.5210 5.5217 5.5734 5.5747 5.6838 5.6842 6.3267 6.3300 6.4525 6.4554 6.4756 6.4806 7.1214 7.1266 7.1825 7.1833 8.5814 8.5823 8.9254 8.9743 9.1243 9.1273 9.1836 9.2010 9.3137 9.3235 9.3434 9.3467 9.3697 9.4018 9.4142 9.4331 10.3426 10.3556 10.8174 10.8314 10.8452 10.8464 11.0117 11.0163 12.2526 12.2557 13.8128 13.8147 15.0218 15.0221 15.6565 15.6584 15.7117 15.7136 15.9267 15.9284 k = 0.4741 0.4741 0.2529 ( 4204 PWs) bands (ev): -30.6787 -30.6787 -15.4698 -15.4698 -12.0172 -12.0165 -10.8923 -10.8923 -10.5042 -10.5039 -7.3051 -7.2931 -7.2765 -7.2757 -6.4903 -6.4883 -6.4693 -6.4596 -6.3486 -6.3478 -2.5674 -2.5634 -0.8918 -0.8917 -0.5397 -0.5349 3.5163 3.5166 4.2848 4.2854 5.1209 5.1223 5.5211 5.5222 5.5739 5.5758 5.6853 5.6858 6.3235 6.3283 6.4535 6.4577 6.4759 6.4831 7.1209 7.1287 7.1835 7.1846 8.5755 8.5768 8.9049 8.9749 9.1169 9.1207 9.1760 9.1984 9.3095 9.3226 9.3338 9.3396 9.3612 9.4046 9.4135 9.4452 10.3388 10.3583 10.8134 10.8310 10.8476 10.8489 11.0078 11.0149 12.2411 12.2458 13.8021 13.8049 15.0225 15.0229 15.6495 15.6522 15.7081 15.7108 15.9407 15.9433 k = 0.4655 0.4655 0.2529 ( 4204 PWs) bands (ev): -30.6788 -30.6788 -15.4708 -15.4708 -12.0162 -12.0152 -10.8898 -10.8898 -10.5059 -10.5055 -7.3080 -7.2915 -7.2765 -7.2748 -6.4966 -6.4930 -6.4711 -6.4588 -6.3524 -6.3511 -2.5620 -2.5568 -0.8828 -0.8826 -0.5376 -0.5311 3.5277 3.5281 4.2949 4.2957 5.1274 5.1293 5.5213 5.5227 5.5747 5.5773 5.6873 5.6880 6.3195 6.3258 6.4551 6.4605 6.4768 6.4861 7.1204 7.1309 7.1853 7.1866 8.5675 8.5692 8.8824 8.9699 9.1057 9.1097 9.1690 9.1930 9.3026 9.3127 9.3232 9.3359 9.3554 9.4055 9.4133 9.4598 10.3348 10.3606 10.8087 10.8279 10.8498 10.8551 11.0026 11.0125 12.2255 12.2317 13.7873 13.7911 15.0234 15.0240 15.6387 15.6419 15.7066 15.7097 15.9584 15.9619 k = 0.4569 0.4569 0.2529 ( 4196 PWs) bands (ev): -30.6790 -30.6790 -15.4720 -15.4720 -12.0148 -12.0137 -10.8867 -10.8867 -10.5081 -10.5075 -7.3115 -7.2900 -7.2765 -7.2735 -6.5044 -6.4990 -6.4733 -6.4585 -6.3570 -6.3551 -2.5550 -2.5486 -0.8714 -0.8709 -0.5345 -0.5264 3.5423 3.5428 4.3078 4.3088 5.1359 5.1383 5.5217 5.5234 5.5758 5.5792 5.6900 5.6909 6.3150 6.3226 6.4571 6.4635 6.4784 6.4894 7.1198 7.1330 7.1879 7.1894 8.5574 8.5595 8.8583 8.9596 9.0898 9.0938 9.1629 9.1860 9.2897 9.2951 9.3150 9.3322 9.3551 9.4052 9.4137 9.4759 10.3304 10.3626 10.8032 10.8230 10.8533 10.8627 10.9964 11.0096 12.2059 12.2137 13.7688 13.7735 15.0246 15.0253 15.6245 15.6280 15.7077 15.7110 15.9788 15.9832 k = 0.4483 0.4483 0.2529 ( 4196 PWs) bands (ev): -30.6792 -30.6792 -15.4735 -15.4735 -12.0132 -12.0118 -10.8828 -10.8828 -10.5107 -10.5099 -7.3155 -7.2888 -7.2762 -7.2717 -6.5137 -6.5062 -6.4759 -6.4587 -6.3625 -6.3597 -2.5464 -2.5389 -0.8576 -0.8568 -0.5306 -0.5207 3.5601 3.5607 4.3235 4.3247 5.1465 5.1492 5.5222 5.5242 5.5772 5.5813 5.6934 5.6945 6.3100 6.3188 6.4593 6.4664 6.4809 6.4931 7.1188 7.1347 7.1915 7.1932 8.5454 8.5479 8.8330 8.9443 9.0684 9.0730 9.1577 9.1783 9.2704 9.2731 9.3096 9.3258 9.3593 9.4038 9.4152 9.4932 10.3257 10.3641 10.7964 10.8167 10.8585 10.8711 10.9889 11.0063 12.1824 12.1917 13.7466 13.7523 15.0260 15.0269 15.6079 15.6116 15.7110 15.7143 16.0011 16.0064 k = 0.4397 0.4397 0.2529 ( 4200 PWs) bands (ev): -30.6794 -30.6794 -15.4752 -15.4752 -12.0112 -12.0096 -10.8782 -10.8782 -10.5137 -10.5128 -7.3201 -7.2884 -7.2752 -7.2696 -6.5245 -6.5146 -6.4789 -6.4595 -6.3685 -6.3648 -2.5364 -2.5278 -0.8417 -0.8404 -0.5257 -0.5141 3.5809 3.5816 4.3418 4.3433 5.1590 5.1621 5.5229 5.5250 5.5788 5.5838 5.6974 5.6988 6.3048 6.3145 6.4615 6.4687 6.4844 6.4972 7.1172 7.1357 7.1962 7.1982 8.5315 8.5343 8.8066 8.9243 9.0416 9.0479 9.1529 9.1708 9.2467 9.2477 9.3054 9.3183 9.3646 9.4014 9.4185 9.5111 10.3207 10.3650 10.7883 10.8091 10.8655 10.8797 10.9802 11.0030 12.1551 12.1660 13.7208 13.7275 15.0276 15.0287 15.5897 15.5935 15.7160 15.7191 16.0249 16.0309 k = 0.4310 0.4310 0.2529 ( 4200 PWs) bands (ev): -30.6797 -30.6797 -15.4772 -15.4772 -12.0089 -12.0071 -10.8730 -10.8730 -10.5171 -10.5161 -7.3252 -7.2889 -7.2734 -7.2670 -6.5368 -6.5242 -6.4823 -6.4607 -6.3750 -6.3702 -2.5251 -2.5156 -0.8238 -0.8219 -0.5199 -0.5065 3.6047 3.6055 4.3628 4.3645 5.1737 5.1771 5.5237 5.5260 5.5808 5.5867 5.7023 5.7039 6.2994 6.3100 6.4634 6.4704 6.4889 6.5017 7.1150 7.1358 7.2022 7.2046 8.5160 8.5192 8.7793 8.9001 9.0098 9.0196 9.1482 9.1634 9.2193 9.2197 9.3014 9.3108 9.3684 9.3982 9.4246 9.5293 10.3153 10.3654 10.7789 10.8002 10.8744 10.8877 10.9704 11.0005 12.1244 12.1368 13.6918 13.6995 15.0295 15.0308 15.5705 15.5744 15.7223 15.7253 16.0498 16.0565 k = 0.4224 0.4224 0.2529 ( 4204 PWs) bands (ev): -30.6800 -30.6800 -15.4795 -15.4795 -12.0064 -12.0044 -10.8670 -10.8670 -10.5209 -10.5198 -7.3308 -7.2903 -7.2708 -7.2639 -6.5506 -6.5351 -6.4860 -6.4625 -6.3818 -6.3757 -2.5126 -2.5022 -0.8040 -0.8014 -0.5129 -0.4977 3.6314 3.6323 4.3863 4.3882 5.1905 5.1942 5.5247 5.5271 5.5831 5.5899 5.7079 5.7097 6.2941 6.3054 6.4649 6.4712 6.4943 6.5067 7.1118 7.1347 7.2094 7.2125 8.4990 8.5024 8.7513 8.8718 8.9740 8.9895 9.1430 9.1555 9.1884 9.1904 9.2972 9.3032 9.3696 9.3941 9.4340 9.5475 10.3097 10.3652 10.7682 10.7901 10.8852 10.8940 10.9594 10.9999 12.0903 12.1043 13.6598 13.6685 15.0314 15.0329 15.5507 15.5547 15.7297 15.7326 16.0755 16.0827 k = 0.4138 0.4138 0.2529 ( 4204 PWs) bands (ev): -30.6804 -30.6804 -15.4820 -15.4820 -12.0036 -12.0014 -10.8604 -10.8604 -10.5251 -10.5238 -7.3370 -7.2925 -7.2676 -7.2606 -6.5661 -6.5473 -6.4899 -6.4647 -6.3887 -6.3813 -2.4991 -2.4879 -0.7828 -0.7792 -0.5048 -0.4877 3.6608 3.6618 4.4122 4.4143 5.2095 5.2134 5.5258 5.5283 5.5856 5.5935 5.7144 5.7164 6.2888 6.3007 6.4657 6.4713 6.5004 6.5122 7.1076 7.1325 7.2179 7.2217 8.4807 8.4844 8.7225 8.8392 8.9353 8.9588 9.1352 9.1427 9.1573 9.1634 9.2927 9.2957 9.3680 9.3891 9.4460 9.5653 10.3038 10.3645 10.7562 10.7789 10.8973 10.8977 10.9474 11.0024 12.0531 12.0688 13.6249 13.6346 15.0334 15.0351 15.5304 15.5345 15.7380 15.7409 16.1017 16.1094 k = 0.4052 0.4052 0.2529 ( 4204 PWs) bands (ev): -30.6807 -30.6807 -15.4847 -15.4847 -12.0005 -11.9981 -10.8532 -10.8531 -10.5296 -10.5282 -7.3438 -7.2953 -7.2640 -7.2568 -6.5830 -6.5609 -6.4939 -6.4673 -6.3955 -6.3870 -2.4846 -2.4728 -0.7602 -0.7556 -0.4954 -0.4764 3.6928 3.6939 4.4403 4.4427 5.2307 5.2348 5.5272 5.5296 5.5884 5.5973 5.7219 5.7241 6.2837 6.2962 6.4657 6.4707 6.5070 6.5182 7.1024 7.1290 7.2277 7.2324 8.4612 8.4651 8.6929 8.8027 8.8948 8.9287 9.1113 9.1141 9.1395 9.1498 9.2878 9.2882 9.3644 9.3832 9.4595 9.5826 10.2978 10.3633 10.7429 10.7665 10.8966 10.9111 10.9352 11.0091 12.0131 12.0304 13.5874 13.5981 15.0355 15.0373 15.5099 15.5140 15.7472 15.7500 16.1282 16.1362 k = 0.3966 0.3966 0.2529 ( 4202 PWs) bands (ev): -30.6812 -30.6812 -15.4878 -15.4877 -11.9971 -11.9946 -10.8452 -10.8452 -10.5344 -10.5328 -7.3511 -7.2987 -7.2600 -7.2528 -6.6015 -6.5757 -6.4980 -6.4702 -6.4021 -6.3925 -2.4693 -2.4570 -0.7368 -0.7310 -0.4845 -0.4636 3.7273 3.7285 4.4705 4.4732 5.2542 5.2584 5.5288 5.5312 5.5915 5.6015 5.7304 5.7327 6.2789 6.2917 6.4649 6.4693 6.5139 6.5246 7.0961 7.1243 7.2387 7.2443 8.4407 8.4448 8.6624 8.7627 8.8537 8.8999 9.0742 9.0774 9.1325 9.1420 9.2804 9.2825 9.3591 9.3764 9.4739 9.5992 10.2918 10.3617 10.7285 10.7531 10.8916 10.9153 10.9329 11.0199 11.9705 11.9893 13.5475 13.5592 15.0374 15.0395 15.4893 15.4933 15.7573 15.7600 16.1548 16.1630 k = 0.3879 0.3879 0.2529 ( 4200 PWs) bands (ev): -30.6816 -30.6816 -15.4910 -15.4910 -11.9936 -11.9908 -10.8367 -10.8366 -10.5395 -10.5378 -7.3590 -7.3027 -7.2557 -7.2485 -6.6213 -6.5917 -6.5021 -6.4735 -6.4084 -6.3980 -2.4534 -2.4406 -0.7128 -0.7057 -0.4719 -0.4492 3.7641 3.7655 4.5026 4.5056 5.2800 5.2844 5.5306 5.5329 5.5947 5.6059 5.7400 5.7425 6.2745 6.2876 6.4631 6.4671 6.5211 6.5313 7.0887 7.1184 7.2509 7.2574 8.4194 8.4236 8.6308 8.7200 8.8131 8.8726 9.0335 9.0377 9.1266 9.1352 9.2724 9.2767 9.3524 9.3687 9.4885 9.6150 10.2859 10.3598 10.7129 10.7385 10.8830 10.9018 10.9486 11.0343 11.9254 11.9458 13.5053 13.5180 15.0392 15.0415 15.4687 15.4725 15.7682 15.7708 16.1810 16.1892 k = 0.3793 0.3793 0.2529 ( 4204 PWs) bands (ev): -30.6821 -30.6821 -15.4945 -15.4945 -11.9898 -11.9868 -10.8275 -10.8274 -10.5448 -10.5429 -7.3675 -7.3072 -7.2512 -7.2439 -6.6423 -6.6089 -6.5060 -6.4769 -6.4144 -6.4033 -2.4370 -2.4239 -0.6887 -0.6803 -0.4574 -0.4330 3.8032 3.8047 4.5364 4.5397 5.3082 5.3126 5.5326 5.5347 5.5982 5.6106 5.7508 5.7533 6.2705 6.2838 6.4604 6.4641 6.5283 6.5381 7.0802 7.1111 7.2642 7.2717 8.3975 8.4018 8.5979 8.6757 8.7739 8.8468 8.9909 8.9961 9.1207 9.1284 9.2641 9.2702 9.3444 9.3599 9.5029 9.6298 10.2801 10.3576 10.6963 10.7229 10.8715 10.8854 10.9676 11.0515 11.8782 11.9002 13.4612 13.4749 15.0406 15.0430 15.4481 15.4517 15.7799 15.7824 16.2064 16.2141 k = 0.3707 0.3707 0.2529 ( 4200 PWs) bands (ev): -30.6826 -30.6826 -15.4982 -15.4982 -11.9858 -11.9827 -10.8177 -10.8176 -10.5504 -10.5483 -7.3766 -7.3123 -7.2465 -7.2391 -6.6644 -6.6271 -6.5097 -6.4805 -6.4200 -6.4085 -2.4202 -2.4069 -0.6648 -0.6554 -0.4406 -0.4149 3.8442 3.8458 4.5718 4.5754 5.3388 5.3432 5.5349 5.5368 5.6019 5.6155 5.7629 5.7654 6.2671 6.2803 6.4569 6.4604 6.5355 6.5450 7.0705 7.1026 7.2785 7.2870 8.3750 8.3794 8.5639 8.6307 8.7369 8.8223 8.9467 8.9531 9.1146 9.1216 9.2553 9.2633 9.3353 9.3502 9.5168 9.6435 10.2746 10.3554 10.6788 10.7064 10.8577 10.8678 10.9882 11.0707 11.8290 11.8526 13.4151 13.4298 15.0414 15.0440 15.4278 15.4311 15.7924 15.7948 16.2288 16.2350 k = 0.3621 0.3621 0.2529 ( 4202 PWs) bands (ev): -30.6831 -30.6831 -15.5021 -15.5021 -11.9816 -11.9784 -10.8073 -10.8072 -10.5561 -10.5539 -7.3863 -7.3181 -7.2416 -7.2341 -6.6874 -6.6461 -6.5132 -6.4841 -6.4252 -6.4136 -2.4032 -2.3898 -0.6416 -0.6313 -0.4213 -0.3946 3.8871 3.8888 4.6085 4.6124 5.3719 5.3762 5.5374 5.5389 5.6057 5.6206 5.7764 5.7788 6.2641 6.2774 6.4526 6.4559 6.5426 6.5518 7.0598 7.0929 7.2939 7.3033 8.3521 8.3567 8.5288 8.5859 8.7026 8.7990 8.9014 8.9091 9.1083 9.1146 9.2461 9.2557 9.3250 9.3394 9.5301 9.6562 10.2693 10.3532 10.6602 10.6890 10.8421 10.8489 11.0100 11.0915 11.7780 11.8032 13.3674 13.3831 15.0413 15.0441 15.4080 15.4109 15.8058 15.8080 16.2355 16.2376 k = 0.3534 0.3534 0.2529 ( 4198 PWs) bands (ev): -30.6837 -30.6837 -15.5062 -15.5062 -11.9773 -11.9739 -10.7963 -10.7962 -10.5619 -10.5596 -7.3967 -7.3246 -7.2366 -7.2290 -6.7110 -6.6658 -6.5163 -6.4875 -6.4302 -6.4185 -2.3860 -2.3727 -0.6193 -0.6087 -0.3993 -0.3723 3.9317 3.9335 4.6462 4.6506 5.4074 5.4116 5.5402 5.5413 5.6096 5.6259 5.7914 5.7934 6.2618 6.2749 6.4476 6.4507 6.5494 6.5584 7.0482 7.0821 7.3102 7.3205 8.3290 8.3337 8.4929 8.5420 8.6713 8.7767 8.8556 8.8645 9.1016 9.1073 9.2364 9.2476 9.3138 9.3276 9.5427 9.6678 10.2646 10.3511 10.6409 10.6708 10.8250 10.8291 11.0330 11.1135 11.7255 11.7522 13.3181 13.3348 15.0400 15.0430 15.3888 15.3912 15.8200 15.8222 16.2133 16.2142 k = 0.3448 0.3448 0.2529 ( 4198 PWs) bands (ev): -30.6843 -30.6843 -15.5106 -15.5105 -11.9728 -11.9692 -10.7847 -10.7846 -10.5679 -10.5654 -7.4079 -7.3318 -7.2315 -7.2238 -6.7351 -6.6860 -6.5191 -6.4908 -6.4348 -6.4233 -2.3688 -2.3557 -0.5982 -0.5876 -0.3748 -0.3480 3.9777 3.9796 4.6848 4.6896 5.4455 5.4493 5.5433 5.5437 5.6137 5.6313 5.8079 5.8095 6.2602 6.2729 6.4420 6.4448 6.5558 6.5646 7.0357 7.0704 7.3273 7.3385 8.3058 8.3106 8.4569 8.4996 8.6430 8.7550 8.8100 8.8199 9.0946 9.0998 9.2262 9.2388 9.3014 9.3148 9.5544 9.6783 10.2602 10.3492 10.6209 10.6519 10.8064 10.8081 11.0569 11.1364 11.6716 11.6999 13.2674 13.2851 15.0371 15.0402 15.3708 15.3725 15.8351 15.8372 16.1849 16.1849 k = 0.3362 0.3362 0.2529 ( 4202 PWs) bands (ev): -30.6849 -30.6849 -15.5151 -15.5151 -11.9682 -11.9645 -10.7726 -10.7725 -10.5739 -10.5712 -7.4198 -7.3400 -7.2264 -7.2185 -6.7594 -6.7065 -6.5213 -6.4938 -6.4391 -6.4279 -2.3518 -2.3389 -0.5784 -0.5682 -0.3479 -0.3218 4.0251 4.0271 4.7240 4.7291 5.4859 5.4889 5.5463 5.5471 5.6179 5.6368 5.8261 5.8269 6.2593 6.2715 6.4361 6.4386 6.5617 6.5704 7.0227 7.0578 7.3454 7.3574 8.2824 8.2874 8.4213 8.4591 8.6173 8.7323 8.7665 8.7758 9.0872 9.0920 9.2155 9.2294 9.2881 9.3009 9.5651 9.6876 10.2563 10.3474 10.6002 10.6324 10.7861 10.7866 11.0816 11.1601 11.6165 11.6463 13.2155 13.2342 15.0319 15.0351 15.3542 15.3552 15.8512 15.8530 16.1562 16.1571 k = 0.3276 0.3276 0.2529 ( 4194 PWs) bands (ev): -30.6855 -30.6855 -15.5198 -15.5198 -11.9634 -11.9597 -10.7600 -10.7598 -10.5799 -10.5771 -7.4326 -7.3491 -7.2213 -7.2133 -6.7836 -6.7271 -6.5231 -6.4965 -6.4431 -6.4324 -2.3349 -2.3224 -0.5599 -0.5505 -0.3191 -0.2942 4.0737 4.0757 4.7634 4.7690 5.5279 5.5286 5.5492 5.5540 5.6222 5.6425 5.8457 5.8459 6.2591 6.2706 6.4301 6.4321 6.5671 6.5755 7.0095 7.0447 7.3643 7.3771 8.2590 8.2642 8.3866 8.4209 8.5940 8.7023 8.7320 8.7327 9.0794 9.0839 9.2041 9.2195 9.2739 9.2861 9.5750 9.6959 10.2530 10.3460 10.5790 10.6124 10.7633 10.7656 11.1070 11.1844 11.5603 11.5917 13.1624 13.1821 15.0239 15.0272 15.3397 15.3399 15.8681 15.8698 16.1293 16.1313 k = 0.3190 0.3190 0.2529 ( 4198 PWs) bands (ev): -30.6861 -30.6861 -15.5247 -15.5246 -11.9586 -11.9548 -10.7469 -10.7467 -10.5859 -10.5829 -7.4463 -7.3593 -7.2163 -7.2080 -6.8074 -6.7475 -6.5244 -6.4988 -6.4469 -6.4367 -2.3183 -2.3062 -0.5426 -0.5342 -0.2889 -0.2655 4.1232 4.1252 4.8029 4.8090 5.5474 5.5515 5.5740 5.5829 5.6267 5.6484 5.8657 5.8673 6.2598 6.2704 6.4242 6.4257 6.5717 6.5799 6.9962 7.0314 7.3839 7.3975 8.2355 8.2410 8.3531 8.3851 8.5725 8.6619 8.6915 8.7100 9.0713 9.0755 9.1923 9.2088 9.2588 9.2702 9.5838 9.7031 10.2502 10.3448 10.5575 10.5920 10.7394 10.7436 11.1328 11.2090 11.5033 11.5362 13.1082 13.1289 15.0125 15.0159 15.3270 15.3276 15.8859 15.8873 16.1047 16.1077 k = 0.3103 0.3103 0.2529 ( 4190 PWs) bands (ev): -30.6868 -30.6868 -15.5297 -15.5297 -11.9538 -11.9499 -10.7333 -10.7330 -10.5918 -10.5887 -7.4609 -7.3708 -7.2113 -7.2029 -6.8307 -6.7676 -6.5251 -6.5005 -6.4504 -6.4408 -2.3022 -2.2906 -0.5264 -0.5190 -0.2578 -0.2363 4.1736 4.1755 4.8421 4.8487 5.5528 5.5544 5.6203 5.6257 5.6337 5.6551 5.8868 5.8902 6.2614 6.2707 6.4190 6.4197 6.5756 6.5836 6.9834 7.0183 7.4042 7.4185 8.2120 8.2178 8.3211 8.3520 8.5522 8.6189 8.6533 8.6933 9.0627 9.0667 9.1798 9.1976 9.2428 9.2535 9.5918 9.7093 10.2480 10.3440 10.5357 10.5713 10.7147 10.7206 11.1589 11.2339 11.4455 11.4799 13.0532 13.0748 14.9972 15.0007 15.3171 15.3185 15.9045 15.9054 16.0828 16.0866 k = 0.3017 0.3017 0.2529 ( 4194 PWs) bands (ev): -30.6874 -30.6874 -15.5349 -15.5348 -11.9489 -11.9449 -10.7193 -10.7189 -10.5976 -10.5944 -7.4766 -7.3837 -7.2065 -7.1979 -6.8531 -6.7871 -6.5252 -6.5018 -6.4536 -6.4446 -2.2864 -2.2754 -0.5110 -0.5048 -0.2265 -0.2069 4.2246 4.2265 4.8807 4.8880 5.5566 5.5571 5.6348 5.6552 5.6752 5.6780 5.9087 5.9144 6.2637 6.2716 6.4148 6.4150 6.5786 6.5863 6.9714 7.0058 7.4252 7.4401 8.1883 8.1945 8.2906 8.3213 8.5322 8.5766 8.6195 8.6792 9.0536 9.0574 9.1667 9.1857 9.2261 9.2358 9.5989 9.7145 10.2463 10.3435 10.5138 10.5506 10.6891 10.6966 11.1853 11.2589 11.3871 11.4230 12.9972 13.0197 14.9778 14.9813 15.3102 15.3125 15.9234 15.9236 16.0642 16.0684 k = 0.2931 0.2931 0.2529 ( 4186 PWs) bands (ev): -30.6881 -30.6881 -15.5402 -15.5401 -11.9440 -11.9400 -10.7050 -10.7044 -10.6031 -10.5999 -7.4933 -7.3981 -7.2019 -7.1930 -6.8743 -6.8060 -6.5246 -6.5026 -6.4566 -6.4483 -2.2712 -2.2609 -0.4965 -0.4914 -0.1954 -0.1778 4.2761 4.2778 4.9187 4.9266 5.5596 5.5599 5.6396 5.6636 5.7236 5.7289 5.9310 5.9395 6.2669 6.2729 6.4117 6.4130 6.5807 6.5882 6.9609 6.9944 7.4468 7.4623 8.1643 8.1709 8.2618 8.2932 8.5113 8.5362 8.5917 8.6672 9.0440 9.0477 9.1531 9.1732 9.2087 9.2174 9.6051 9.7189 10.2452 10.3434 10.4920 10.5300 10.6628 10.6718 11.2117 11.2839 11.3283 11.3657 12.9405 12.9639 14.9540 14.9577 15.3066 15.3095 15.9409 15.9421 16.0500 16.0538 k = 0.2845 0.2845 0.2529 ( 4194 PWs) bands (ev): -30.6888 -30.6888 -15.5456 -15.5456 -11.9391 -11.9351 -10.6905 -10.6896 -10.6084 -10.6051 -7.5111 -7.4141 -7.1975 -7.1884 -6.8941 -6.8239 -6.5235 -6.5028 -6.4592 -6.4517 -2.2566 -2.2470 -0.4827 -0.4786 -0.1651 -0.1495 4.3280 4.3295 4.9557 4.9643 5.5620 5.5629 5.6444 5.6698 5.7753 5.7813 5.9533 5.9651 6.2707 6.2746 6.4115 6.4141 6.5818 6.5890 6.9523 6.9847 7.4689 7.4850 8.1399 8.1469 8.2343 8.2675 8.4889 8.4983 8.5710 8.6570 9.0338 9.0375 9.1389 9.1601 9.1908 9.1983 9.6105 9.7224 10.2446 10.3436 10.4704 10.5095 10.6357 10.6462 11.2379 11.2691 11.3060 11.3106 12.8830 12.9074 14.9262 14.9301 15.3059 15.3095 15.9549 15.9589 16.0425 16.0442 k = 0.2759 0.2759 0.2529 ( 4200 PWs) bands (ev): -30.6895 -30.6895 -15.5511 -15.5511 -11.9343 -11.9302 -10.6759 -10.6746 -10.6131 -10.6101 -7.5301 -7.4320 -7.1933 -7.1840 -6.9123 -6.8409 -6.5217 -6.5024 -6.4616 -6.4548 -2.2427 -2.2338 -0.4694 -0.4662 -0.1360 -0.1223 4.3801 4.3813 4.9915 5.0010 5.5640 5.5655 5.6493 5.6758 5.8276 5.8342 5.9755 5.9907 6.2746 6.2762 6.4156 6.4195 6.5820 6.5889 6.9461 6.9772 7.4915 7.5080 8.1149 8.1222 8.2084 8.2440 8.4634 8.4657 8.5572 8.6487 9.0229 9.0266 9.1242 9.1464 9.1725 9.1786 9.6151 9.7251 10.2444 10.3440 10.4493 10.4894 10.6079 10.6199 11.2095 11.2497 11.2640 11.3333 12.8249 12.8501 14.8946 14.8987 15.3078 15.3120 15.9622 15.9704 16.0430 16.0451 k = 0.2672 0.2672 0.2529 ( 4192 PWs) bands (ev): -30.6902 -30.6902 -15.5567 -15.5567 -11.9295 -11.9254 -10.6617 -10.6595 -10.6167 -10.6144 -7.5502 -7.4516 -7.1894 -7.1799 -6.9288 -6.8566 -6.5193 -6.5015 -6.4635 -6.4576 -2.2294 -2.2214 -0.4566 -0.4542 -0.1084 -0.0966 4.4324 4.4331 5.0261 5.0364 5.5657 5.5676 5.6544 5.6818 5.8788 5.8856 5.9984 6.0166 6.2777 6.2784 6.4256 6.4308 6.5812 6.5878 6.9429 6.9725 7.5145 7.5314 8.0894 8.0969 8.1837 8.2225 8.4319 8.4434 8.5489 8.6425 9.0113 9.0151 9.1090 9.1321 9.1540 9.1584 9.6190 9.7270 10.2448 10.3447 10.4289 10.4699 10.5796 10.5931 11.1499 11.1914 11.2897 11.3574 12.7662 12.7923 14.8596 14.8640 15.3121 15.3168 15.9620 15.9738 16.0525 16.0587 k = 0.2586 0.2586 0.2529 ( 4188 PWs) bands (ev): -30.6909 -30.6909 -15.5624 -15.5624 -11.9247 -11.9207 -10.6493 -10.6452 -10.6180 -10.6175 -7.5715 -7.4731 -7.1859 -7.1762 -6.9434 -6.8712 -6.5163 -6.5000 -6.4651 -6.4600 -2.2169 -2.2097 -0.4442 -0.4425 -0.0827 -0.0727 4.4846 4.4849 5.0593 5.0706 5.5670 5.5692 5.6598 5.6879 5.9262 5.9315 6.0248 6.0438 6.2787 6.2814 6.4429 6.4490 6.5794 6.5858 6.9432 6.9712 7.5378 7.5551 8.0632 8.0708 8.1605 8.2028 8.4042 8.4230 8.5450 8.6383 8.9988 9.0029 9.0934 9.1173 9.1353 9.1380 9.6222 9.7284 10.2454 10.3452 10.4096 10.4510 10.5509 10.5660 11.0902 11.1331 11.3149 11.3810 12.7070 12.7339 14.8217 14.8263 15.3183 15.3234 15.9575 15.9710 16.0695 16.0798 k = 0.2500 0.2500 0.2529 ( 4190 PWs) bands (ev): -30.6917 -30.6917 -15.5682 -15.5682 -11.9201 -11.9161 -10.6423 -10.6352 -10.6156 -10.6134 -7.5939 -7.4963 -7.1827 -7.1729 -6.9561 -6.8844 -6.5127 -6.4981 -6.4661 -6.4620 -2.2051 -2.1988 -0.4323 -0.4311 -0.0591 -0.0509 4.5364 4.5368 5.0910 5.1034 5.5676 5.5700 5.6654 5.6940 5.9649 5.9651 6.0606 6.0760 6.2792 6.2837 6.4683 6.4750 6.5768 6.5830 6.9475 6.9738 7.5615 7.5788 8.0365 8.0441 8.1385 8.1847 8.3801 8.4053 8.5446 8.6360 8.9854 8.9898 9.0775 9.1021 9.1168 9.1174 9.6248 9.7290 10.2462 10.3446 10.3922 10.4329 10.5222 10.5389 11.0305 11.0748 11.3394 11.4038 12.6474 12.6751 14.7812 14.7859 15.3261 15.3316 15.9517 15.9657 16.0859 16.1050 k = 0.2414 0.2414 0.2529 ( 4186 PWs) bands (ev): -30.6924 -30.6924 -15.5740 -15.5739 -11.9156 -11.9117 -10.6417 -10.6339 -10.6044 -10.6018 -7.6173 -7.5211 -7.1798 -7.1700 -6.9669 -6.8963 -6.5086 -6.4958 -6.4665 -6.4635 -2.1942 -2.1888 -0.4206 -0.4199 -0.0379 -0.0313 4.5876 4.5887 5.1213 5.1347 5.5675 5.5700 5.6714 5.7003 5.9839 5.9906 6.1074 6.1165 6.2795 6.2854 6.5021 6.5085 6.5736 6.5797 6.9562 6.9808 7.5852 7.6024 8.0096 8.0170 8.1179 8.1681 8.3596 8.3904 8.5474 8.6357 8.9710 8.9757 9.0614 9.0866 9.0968 9.0986 9.6268 9.7291 10.2469 10.3408 10.3787 10.4154 10.4940 10.5121 10.9710 11.0166 11.3630 11.4259 12.5873 12.6157 14.7384 14.7434 15.3352 15.3409 15.9459 15.9591 16.0657 16.1004 k = 0.2328 0.2328 0.2529 ( 4186 PWs) bands (ev): -30.6931 -30.6931 -15.5798 -15.5797 -11.9113 -11.9074 -10.6437 -10.6363 -10.5891 -10.5870 -7.6416 -7.5475 -7.1772 -7.1675 -6.9760 -6.9069 -6.5040 -6.4932 -6.4662 -6.4645 -2.1841 -2.1796 -0.4093 -0.4089 -0.0191 -0.0141 4.6383 4.6404 5.1500 5.1647 5.5668 5.5692 5.6778 5.7068 5.9925 6.0039 6.1605 6.1647 6.2797 6.2871 6.5426 6.5472 6.5710 6.5777 6.9696 6.9926 7.6090 7.6258 7.9830 7.9899 8.0985 8.1527 8.3424 8.3783 8.5529 8.6372 8.9554 8.9606 9.0452 9.0709 9.0764 9.0810 9.6281 9.7285 10.2471 10.3311 10.3709 10.3986 10.4671 10.4864 10.9117 10.9587 11.3858 11.4470 12.5268 12.5561 14.6938 14.6989 15.3453 15.3513 15.9399 15.9407 15.9733 15.9767 k = 0.2241 0.2241 0.2529 ( 4182 PWs) bands (ev): -30.6938 -30.6938 -15.5856 -15.5856 -11.9070 -11.9032 -10.6465 -10.6392 -10.5727 -10.5710 -7.6669 -7.5752 -7.1751 -7.1654 -6.9834 -6.9162 -6.4991 -6.4905 -6.4650 -6.4647 -2.1749 -2.1713 -0.3983 -0.3982 -0.0029 0.0005 4.6885 4.6916 5.1773 5.1934 5.5652 5.5675 5.6845 5.7134 5.9945 6.0080 6.2154 6.2171 6.2801 6.2894 6.5613 6.5649 6.5970 6.6028 6.9881 7.0097 7.6325 7.6486 7.9573 7.9634 8.0805 8.1384 8.3281 8.3685 8.5608 8.6404 8.9387 8.9445 9.0292 9.0548 9.0570 9.0642 9.6290 9.7275 10.2463 10.3160 10.3668 10.3822 10.4433 10.4628 10.8529 10.9012 11.4076 11.4671 12.4661 12.4961 14.6476 14.6528 15.3563 15.3624 15.8350 15.8457 15.9362 15.9551 k = 0.2155 0.2155 0.2529 ( 4190 PWs) bands (ev): -30.6945 -30.6945 -15.5914 -15.5913 -11.9030 -11.8993 -10.6493 -10.6421 -10.5559 -10.5545 -7.6928 -7.6040 -7.1733 -7.1639 -6.9893 -6.9242 -6.4942 -6.4879 -6.4641 -6.4627 -2.1666 -2.1639 -0.3877 -0.3877 0.0106 0.0127 4.7380 4.7423 5.2032 5.2207 5.5627 5.5648 5.6914 5.7201 5.9921 6.0061 6.2651 6.2712 6.2808 6.2975 6.5571 6.5611 6.6517 6.6546 7.0118 7.0321 7.6555 7.6703 7.9333 7.9381 8.0638 8.1251 8.3161 8.3605 8.5709 8.6450 8.9210 8.9272 9.0134 9.0357 9.0415 9.0486 9.6293 9.7259 10.2434 10.2975 10.3613 10.3659 10.4259 10.4426 10.7945 10.8443 11.4281 11.4861 12.4051 12.4357 14.6001 14.6054 15.3678 15.3740 15.7141 15.7210 15.9323 15.9491 k = 0.2069 0.2069 0.2529 ( 4182 PWs) bands (ev): -30.6952 -30.6952 -15.5971 -15.5971 -11.8992 -11.8955 -10.6519 -10.6448 -10.5389 -10.5376 -7.7194 -7.6338 -7.1718 -7.1627 -6.9938 -6.9311 -6.4894 -6.4855 -6.4623 -6.4592 -2.1591 -2.1573 -0.3775 -0.3774 0.0214 0.0223 4.7867 4.7924 5.2277 5.2468 5.5593 5.5612 5.6986 5.7269 5.9863 6.0000 6.2816 6.2837 6.3259 6.3367 6.5514 6.5554 6.7128 6.7129 7.0408 7.0601 7.6776 7.6903 7.9119 7.9149 8.0483 8.1127 8.3058 8.3540 8.5829 8.6508 8.9022 8.9090 8.9982 9.0162 9.0278 9.0345 9.6291 9.7238 10.2372 10.2759 10.3501 10.3512 10.4179 10.4268 10.7370 10.7882 11.4475 11.5038 12.3438 12.3752 14.5516 14.5569 15.3799 15.3861 15.5943 15.5995 15.9288 15.9438 k = 0.1983 0.1983 0.2529 ( 4186 PWs) bands (ev): -30.6959 -30.6959 -15.6028 -15.6028 -11.8955 -11.8920 -10.6543 -10.6472 -10.5218 -10.5207 -7.7464 -7.6642 -7.1707 -7.1620 -6.9971 -6.9368 -6.4853 -6.4834 -6.4590 -6.4545 -2.1526 -2.1516 -0.3676 -0.3675 0.0295 0.0297 4.8346 4.8418 5.2510 5.2717 5.5550 5.5566 5.7060 5.7339 5.9780 5.9908 6.2826 6.2875 6.3802 6.3900 6.5453 6.5491 6.7758 6.7785 7.0749 7.0934 7.6979 7.7072 7.8947 7.8947 8.0342 8.1011 8.2968 8.3483 8.5963 8.6572 8.8826 8.8899 8.9837 8.9969 9.0156 9.0222 9.6283 9.7211 10.2258 10.2510 10.3358 10.3377 10.4161 10.4181 10.6806 10.7333 11.4655 11.5202 12.2824 12.3145 14.5024 14.5077 15.3922 15.3982 15.4774 15.4817 15.9252 15.9379 k = 0.1897 0.1897 0.2529 ( 4190 PWs) bands (ev): -30.6966 -30.6966 -15.6084 -15.6084 -11.8921 -11.8886 -10.6564 -10.6493 -10.5047 -10.5037 -7.7738 -7.6951 -7.1699 -7.1618 -6.9993 -6.9416 -6.4819 -6.4815 -6.4541 -6.4487 -2.1469 -2.1467 -0.3580 -0.3580 0.0344 0.0355 4.8814 4.8903 5.2730 5.2956 5.5499 5.5512 5.7135 5.7408 5.9678 5.9795 6.2838 6.2897 6.4339 6.4440 6.5390 6.5426 6.8422 6.8478 7.1139 7.1319 7.7153 7.7198 7.8790 7.8832 8.0216 8.0904 8.2885 8.3428 8.6108 8.6634 8.8623 8.8701 8.9706 8.9783 9.0054 9.0121 9.6271 9.7179 10.2080 10.2226 10.3239 10.3243 10.4100 10.4233 10.6258 10.6802 11.4821 11.5352 12.2210 12.2536 14.4527 14.4580 15.3634 15.3661 15.4051 15.4119 15.9211 15.9303 k = 0.1810 0.1810 0.2529 ( 4194 PWs) bands (ev): -30.6972 -30.6972 -15.6140 -15.6140 -11.8888 -11.8855 -10.6581 -10.6510 -10.4876 -10.4867 -7.8013 -7.7263 -7.1695 -7.1619 -7.0007 -6.9455 -6.4797 -6.4793 -6.4476 -6.4421 -2.1427 -2.1421 -0.3490 -0.3488 0.0370 0.0390 4.9270 4.9378 5.2940 5.3185 5.5439 5.5449 5.7210 5.7478 5.9563 5.9668 6.2849 6.2916 6.4867 6.4972 6.5327 6.5360 6.9114 6.9198 7.1574 7.1749 7.7264 7.7280 7.8697 7.8788 8.0106 8.0805 8.2803 8.3371 8.6255 8.6687 8.8416 8.8499 8.9594 8.9606 8.9975 9.0046 9.6253 9.7143 10.1841 10.1912 10.3107 10.3152 10.4077 10.4316 10.5736 10.6299 11.4972 11.5487 12.1594 12.1927 14.4028 14.4081 15.2538 15.2564 15.4174 15.4237 15.9154 15.9196 k = 0.1724 0.1724 0.2529 ( 4190 PWs) bands (ev): -30.6979 -30.6979 -15.6194 -15.6194 -11.8858 -11.8826 -10.6595 -10.6524 -10.4706 -10.4698 -7.8288 -7.7575 -7.1693 -7.1624 -7.0013 -6.9487 -6.4778 -6.4770 -6.4400 -6.4347 -2.1395 -2.1381 -0.3405 -0.3400 0.0377 0.0403 4.9714 4.9842 5.3140 5.3406 5.5371 5.5378 5.7286 5.7547 5.9437 5.9532 6.2861 6.2933 6.5262 6.5295 6.5389 6.5495 6.9828 6.9938 7.2048 7.2220 7.7268 7.7344 7.8686 7.8818 8.0016 8.0716 8.2719 8.3305 8.6398 8.6720 8.8208 8.8296 8.9444 8.9510 8.9923 9.0000 9.6230 9.7101 10.1554 10.1575 10.2971 10.3070 10.4081 10.4417 10.5254 10.5842 11.5108 11.5607 12.0980 12.1318 14.3531 14.3582 15.1480 15.1502 15.4299 15.4360 15.9040 15.9067 k = 0.1638 0.1638 0.2529 ( 4194 PWs) bands (ev): -30.6985 -30.6985 -15.6247 -15.6247 -11.8830 -11.8799 -10.6605 -10.6535 -10.4539 -10.4531 -7.8561 -7.7885 -7.1695 -7.1633 -7.0012 -6.9512 -6.4759 -6.4749 -6.4316 -6.4266 -2.1370 -2.1350 -0.3325 -0.3317 0.0365 0.0397 5.0142 5.0292 5.3331 5.3621 5.5297 5.5301 5.7359 5.7614 5.9304 5.9390 6.2871 6.2948 6.5203 6.5233 6.5899 6.6008 7.0558 7.0691 7.2556 7.2722 7.7226 7.7345 7.8756 7.8902 7.9952 8.0636 8.2628 8.3227 8.6525 8.6723 8.8001 8.8095 8.9306 8.9461 8.9902 8.9987 9.6201 9.7053 10.1220 10.1232 10.2806 10.2968 10.4097 10.4530 10.4841 10.5457 11.5228 11.5712 12.0367 12.0710 14.3036 14.3087 15.0463 15.0482 15.4421 15.4480 15.8816 15.8926 k = 0.1552 0.1552 0.2529 ( 4198 PWs) bands (ev): -30.6991 -30.6991 -15.6299 -15.6299 -11.8804 -11.8775 -10.6612 -10.6543 -10.4373 -10.4366 -7.8831 -7.8193 -7.1699 -7.1644 -7.0006 -6.9531 -6.4738 -6.4729 -6.4226 -6.4181 -2.1353 -2.1326 -0.3251 -0.3240 0.0339 0.0374 5.0553 5.0726 5.3516 5.3829 5.5216 5.5218 5.7431 5.7679 5.9169 5.9247 6.2880 6.2961 6.5146 6.5174 6.6402 6.6512 7.1296 7.1451 7.3089 7.3246 7.7161 7.7304 7.8887 7.9011 7.9923 8.0568 8.2527 8.3132 8.6620 8.6688 8.7798 8.7899 8.9205 8.9452 8.9915 9.0012 9.6167 9.7000 10.0853 10.0886 10.2580 10.2812 10.4113 10.4487 10.4692 10.5186 11.5333 11.5800 11.9756 12.0104 14.2548 14.2597 14.9490 14.9507 15.4541 15.4597 15.8517 15.8703 k = 0.1466 0.1466 0.2529 ( 4192 PWs) bands (ev): -30.6997 -30.6997 -15.6349 -15.6349 -11.8780 -11.8752 -10.6617 -10.6548 -10.4211 -10.4205 -7.9096 -7.8496 -7.1707 -7.1659 -6.9995 -6.9545 -6.4717 -6.4708 -6.4132 -6.4092 -2.1342 -2.1310 -0.3184 -0.3168 0.0300 0.0337 5.0944 5.1142 5.3695 5.4034 5.5130 5.5131 5.7500 5.7741 5.9033 5.9104 6.2887 6.2971 6.5093 6.5119 6.6895 6.7008 7.2038 7.2213 7.3640 7.3783 7.7092 7.7246 7.9052 7.9117 7.9938 8.0511 8.2413 8.3019 8.6613 8.6669 8.7599 8.7712 8.9154 8.9484 8.9965 9.0078 9.6127 9.6942 10.0477 10.0524 10.2270 10.2569 10.4126 10.4292 10.4826 10.5056 11.5422 11.5873 11.9149 11.9501 14.2068 14.2116 14.8562 14.8577 15.4656 15.4710 15.8153 15.8386 k = 0.1379 0.1379 0.2529 ( 4184 PWs) bands (ev): -30.7002 -30.7002 -15.6397 -15.6397 -11.8758 -11.8732 -10.6618 -10.6551 -10.4052 -10.4047 -7.9355 -7.8792 -7.1716 -7.1675 -6.9980 -6.9556 -6.4694 -6.4686 -6.4035 -6.4001 -2.1337 -2.1301 -0.3124 -0.3104 0.0251 0.0289 5.1315 5.1536 5.3870 5.4235 5.5038 5.5043 5.7565 5.7799 5.8900 5.8966 6.2891 6.2978 6.5045 6.5069 6.7380 6.7495 7.2776 7.2968 7.4201 7.4322 7.7031 7.7188 7.9205 7.9233 8.0005 8.0468 8.2286 8.2886 8.6500 8.6662 8.7407 8.7532 8.9166 8.9553 9.0053 9.0187 9.6082 9.6878 10.0096 10.0152 10.1877 10.2233 10.4154 10.4201 10.4980 10.5050 11.5494 11.5929 11.8546 11.8902 14.1599 14.1645 14.7681 14.7694 15.4766 15.4818 15.7744 15.7996 k = 0.1293 0.1293 0.2529 ( 4182 PWs) bands (ev): -30.7008 -30.7008 -15.6443 -15.6443 -11.8738 -11.8714 -10.6616 -10.6551 -10.3898 -10.3894 -7.9607 -7.9080 -7.1728 -7.1693 -6.9963 -6.9564 -6.4670 -6.4664 -6.3936 -6.3908 -2.1339 -2.1299 -0.3071 -0.3047 0.0196 0.0232 5.1661 5.1906 5.4043 5.4435 5.4945 5.4953 5.7626 5.7852 5.8772 5.8834 6.2891 6.2981 6.5002 6.5024 6.7855 6.7972 7.3502 7.3710 7.4765 7.4853 7.6988 7.7142 7.9274 7.9418 8.0117 8.0440 8.2146 8.2733 8.6357 8.6599 8.7223 8.7359 8.9242 8.9655 9.0179 9.0340 9.6030 9.6807 9.9710 9.9770 10.1426 10.1823 10.4198 10.4216 10.5128 10.5144 11.5551 11.5969 11.7950 11.8309 14.1143 14.1188 14.6847 14.6858 15.4869 15.4920 15.7311 15.7563 k = 0.1207 0.1207 0.2529 ( 4174 PWs) bands (ev): -30.7013 -30.7013 -15.6487 -15.6487 -11.8720 -11.8697 -10.6612 -10.6549 -10.3750 -10.3746 -7.9849 -7.9359 -7.1742 -7.1712 -6.9943 -6.9569 -6.4646 -6.4640 -6.3838 -6.3814 -2.1345 -2.1302 -0.3026 -0.2998 0.0136 0.0171 5.1982 5.2247 5.4213 5.4633 5.4851 5.4866 5.7680 5.7900 5.8651 5.8710 6.2889 6.2980 6.4964 6.4985 6.8318 6.8440 7.4206 7.4428 7.5326 7.5365 7.6970 7.7112 7.9336 7.9598 8.0259 8.0426 8.1994 8.2561 8.6195 8.6493 8.7047 8.7189 8.9377 8.9784 9.0343 9.0533 9.5972 9.6730 9.9323 9.9383 10.0940 10.1366 10.4259 10.4314 10.5256 10.5317 11.5592 11.5991 11.7363 11.7724 14.0703 14.0746 14.6062 14.6072 15.4964 15.5015 15.6870 15.7114 k = 0.1121 0.1121 0.2529 ( 4170 PWs) bands (ev): -30.7018 -30.7018 -15.6529 -15.6529 -11.8704 -11.8683 -10.6606 -10.6546 -10.3607 -10.3603 -8.0080 -7.9626 -7.1757 -7.1733 -6.9921 -6.9573 -6.4622 -6.4617 -6.3740 -6.3720 -2.1355 -2.1311 -0.2990 -0.2957 0.0075 0.0107 5.2276 5.2556 5.4375 5.4754 5.4790 5.4832 5.7726 5.7941 5.8542 5.8599 6.2883 6.2974 6.4933 6.4952 6.8769 6.8895 7.4869 7.5109 7.5853 7.5882 7.6988 7.7104 7.9406 7.9768 8.0416 8.0427 8.1833 8.2372 8.6024 8.6361 8.6881 8.7022 8.9557 8.9938 9.0541 9.0760 9.5908 9.6646 9.8936 9.8994 10.0437 10.0882 10.4368 10.4445 10.5415 10.5495 11.5616 11.5989 11.6794 11.7149 14.0280 14.0321 14.5327 14.5336 15.5047 15.5101 15.6434 15.6663 k = 0.1034 0.1034 0.2529 ( 4178 PWs) bands (ev): -30.7022 -30.7022 -15.6568 -15.6568 -11.8690 -11.8671 -10.6599 -10.6541 -10.3471 -10.3468 -8.0299 -7.9882 -7.1773 -7.1754 -6.9898 -6.9575 -6.4597 -6.4593 -6.3645 -6.3628 -2.1369 -2.1323 -0.2962 -0.2925 0.0014 0.0042 5.2541 5.2831 5.4495 5.4663 5.4761 5.5024 5.7764 5.7973 5.8448 5.8502 6.2873 6.2964 6.4908 6.4926 6.9204 6.9336 7.5461 7.5732 7.6312 7.6433 7.7061 7.7127 7.9491 7.9921 8.0440 8.0576 8.1666 8.2170 8.5854 8.6216 8.6728 8.6862 8.9773 9.0114 9.0770 9.1014 9.5839 9.6554 9.8552 9.8604 9.9924 10.0383 10.4515 10.4604 10.5593 10.5678 11.5617 11.5918 11.6289 11.6593 13.9878 13.9917 14.4643 14.4650 15.5111 15.5176 15.6019 15.6222 k = 0.0948 0.0948 0.2529 ( 4178 PWs) bands (ev): -30.7026 -30.7026 -15.6605 -15.6605 -11.8677 -11.8660 -10.6590 -10.6535 -10.3342 -10.3340 -8.0505 -8.0123 -7.1790 -7.1775 -6.9874 -6.9577 -6.4573 -6.4570 -6.3552 -6.3539 -2.1386 -2.1340 -0.2942 -0.2901 -0.0044 -0.0020 5.2777 5.3069 5.4500 5.4573 5.4852 5.5212 5.7791 5.7994 5.8372 5.8423 6.2859 6.2949 6.4889 6.4904 6.9622 6.9759 7.5940 7.6271 7.6722 7.6948 7.7223 7.7242 7.9594 8.0054 8.0461 8.0731 8.1501 8.1957 8.5694 8.6069 8.6589 8.6711 9.0015 9.0313 9.1026 9.1287 9.5764 9.6456 9.8173 9.8217 9.9409 9.9877 10.4691 10.4786 10.5785 10.5862 11.5555 11.5567 11.6076 11.6087 13.9498 13.9535 14.4010 14.4017 15.5123 15.5227 15.5663 15.5811 k = 0.0862 0.0862 0.2529 ( 4172 PWs) bands (ev): -30.7030 -30.7030 -15.6639 -15.6639 -11.8666 -11.8650 -10.6580 -10.6529 -10.3221 -10.3219 -8.0697 -8.0350 -7.1807 -7.1795 -6.9850 -6.9579 -6.4550 -6.4547 -6.3463 -6.3453 -2.1404 -2.1359 -0.2930 -0.2886 -0.0097 -0.0078 5.2985 5.3272 5.4440 5.4488 5.5012 5.5391 5.7806 5.8001 5.8317 5.8368 6.2843 6.2930 6.4874 6.4889 7.0020 7.0162 7.6281 7.6700 7.7019 7.7195 7.7613 7.7641 7.9709 8.0162 8.0478 8.0875 8.1349 8.1740 8.5553 8.5930 8.6467 8.6576 9.0277 9.0533 9.1303 9.1572 9.5684 9.6349 9.7803 9.7835 9.8896 9.9371 10.4893 10.4987 10.5984 10.6044 11.5036 11.5309 11.5794 11.6022 13.9143 13.9177 14.3430 14.3436 15.4972 15.5175 15.5481 15.5514 k = 0.0776 0.0776 0.2529 ( 4176 PWs) bands (ev): -30.7034 -30.7034 -15.6670 -15.6670 -11.8657 -11.8642 -10.6569 -10.6522 -10.3110 -10.3108 -8.0872 -8.0560 -7.1824 -7.1815 -6.9825 -6.9581 -6.4527 -6.4525 -6.3379 -6.3371 -2.1423 -2.1380 -0.2924 -0.2879 -0.0146 -0.0130 5.3166 5.3441 5.4369 5.4409 5.5185 5.5558 5.7810 5.7995 5.8285 5.8336 6.2824 6.2907 6.4865 6.4878 7.0394 7.0540 7.6510 7.6987 7.7241 7.7386 7.8107 7.8190 7.9822 8.0238 8.0474 8.1003 8.1227 8.1526 8.5437 8.5803 8.6365 8.6461 9.0555 9.0772 9.1596 9.1863 9.5600 9.6234 9.7445 9.7461 9.8389 9.8867 10.5114 10.5201 10.6187 10.6223 11.4513 11.4840 11.5718 11.5980 13.8815 13.8846 14.2903 14.2908 15.4667 15.4888 15.5469 15.5469 k = 0.0690 0.0690 0.2529 ( 4168 PWs) bands (ev): -30.7037 -30.7037 -15.6698 -15.6698 -11.8648 -11.8635 -10.6558 -10.6515 -10.3007 -10.3006 -8.1031 -8.0754 -7.1840 -7.1834 -6.9801 -6.9583 -6.4506 -6.4505 -6.3301 -6.3295 -2.1443 -2.1402 -0.2924 -0.2879 -0.0188 -0.0176 5.3322 5.3578 5.4300 5.4337 5.5353 5.5708 5.7809 5.7981 5.8273 5.8324 6.2803 6.2881 6.4860 6.4871 7.0743 7.0890 7.6676 7.7152 7.7442 7.7640 7.8623 7.8723 7.9918 8.0279 8.0432 8.1097 8.1156 8.1337 8.5352 8.5693 8.6283 8.6368 9.0845 9.1031 9.1900 9.2155 9.5515 9.6111 9.7098 9.7103 9.7891 9.8369 10.5351 10.5426 10.6391 10.6395 11.4005 11.4341 11.5684 11.5937 13.8515 13.8543 14.2429 14.2433 15.4339 15.4541 15.5501 15.5502 k = 0.0603 0.0603 0.2529 ( 4160 PWs) bands (ev): -30.7040 -30.7040 -15.6723 -15.6723 -11.8641 -11.8630 -10.6547 -10.6509 -10.2915 -10.2915 -8.1171 -8.0929 -7.1855 -7.1851 -6.9778 -6.9587 -6.4487 -6.4486 -6.3230 -6.3225 -2.1462 -2.1424 -0.2928 -0.2885 -0.0224 -0.0216 5.3453 5.3686 5.4238 5.4274 5.5509 5.5836 5.7807 5.7963 5.8276 5.8326 6.2781 6.2853 6.4858 6.4868 7.1062 7.1208 7.6816 7.7272 7.7633 7.7894 7.9115 7.9208 7.9976 8.0287 8.0349 8.1053 8.1142 8.1285 8.5299 8.5604 8.6223 8.6298 9.1145 9.1306 9.2211 9.2439 9.5430 9.5979 9.6750 9.6778 9.7407 9.7879 10.5599 10.5654 10.6558 10.6591 11.3520 11.3853 11.5658 11.5890 13.8245 13.8271 14.2010 14.2014 15.4029 15.4210 15.5541 15.5541 k = 0.0517 0.0517 0.2529 ( 4156 PWs) bands (ev): -30.7042 -30.7042 -15.6745 -15.6745 -11.8635 -11.8625 -10.6536 -10.6503 -10.2834 -10.2834 -8.1293 -8.1086 -7.1870 -7.1867 -6.9755 -6.9591 -6.4470 -6.4469 -6.3166 -6.3163 -2.1479 -2.1445 -0.2935 -0.2895 -0.0254 -0.0249 5.3560 5.3767 5.4188 5.4221 5.5648 5.5939 5.7810 5.7949 5.8289 5.8336 6.2759 6.2824 6.4859 6.4867 7.1349 7.1488 7.6947 7.7384 7.7817 7.8121 7.9559 7.9604 7.9982 8.0241 8.0289 8.0906 8.1168 8.1346 8.5275 8.5535 8.6184 8.6252 9.1451 9.1596 9.2526 9.2711 9.5349 9.5837 9.6421 9.6472 9.6942 9.7400 10.5851 10.5880 10.6710 10.6784 11.3065 11.3387 11.5634 11.5840 13.8008 13.8030 14.1646 14.1649 15.3749 15.3908 15.5578 15.5578 k = 0.0431 0.0431 0.2529 ( 4158 PWs) bands (ev): -30.7045 -30.7045 -15.6764 -15.6764 -11.8630 -11.8622 -10.6526 -10.6498 -10.2765 -10.2764 -8.1395 -8.1222 -7.1882 -7.1881 -6.9734 -6.9596 -6.4455 -6.4454 -6.3111 -6.3109 -2.1495 -2.1466 -0.2944 -0.2908 -0.0279 -0.0275 5.3646 5.3821 5.4152 5.4180 5.5768 5.6017 5.7820 5.7938 5.8308 5.8350 6.2738 6.2794 6.4861 6.4868 7.1600 7.1729 7.7078 7.7491 7.7999 7.8315 7.9816 7.9879 7.9982 8.0134 8.0371 8.0779 8.1218 8.1411 8.5275 8.5485 8.6165 8.6226 9.1757 9.1897 9.2839 9.2962 9.5276 9.5687 9.6117 9.6181 9.6511 9.6935 10.6096 10.6098 10.6848 10.6964 11.2649 11.2951 11.5613 11.5790 13.7805 13.7824 14.1337 14.1339 15.3506 15.3641 15.5611 15.5611 k = 0.0345 0.0345 0.2529 ( 4166 PWs) bands (ev): -30.7046 -30.7046 -15.6779 -15.6779 -11.8626 -11.8619 -10.6517 -10.6494 -10.2707 -10.2707 -8.1476 -8.1338 -7.1893 -7.1892 -6.9713 -6.9603 -6.4442 -6.4441 -6.3065 -6.3064 -2.1508 -2.1484 -0.2952 -0.2921 -0.0298 -0.0296 5.3711 5.3848 5.4133 5.4152 5.5868 5.6071 5.7835 5.7932 5.8329 5.8364 6.2719 6.2766 6.4865 6.4870 7.1814 7.1925 7.7210 7.7589 7.8181 7.8476 7.9799 7.9816 8.0031 8.0226 8.0571 8.0705 8.1285 8.1469 8.5290 8.5451 8.6162 8.6216 9.2059 9.2202 9.3148 9.3184 9.5219 9.5525 9.5844 9.5889 9.6146 9.6489 10.6294 10.6327 10.6975 10.7126 11.2283 11.2555 11.5596 11.5742 13.7637 13.7652 14.1083 14.1085 15.3304 15.3414 15.5637 15.5637 k = 0.0259 0.0259 0.2529 ( 4154 PWs) bands (ev): -30.7048 -30.7048 -15.6791 -15.6791 -11.8622 -11.8618 -10.6509 -10.6492 -10.2662 -10.2662 -8.1536 -8.1432 -7.1902 -7.1901 -6.9694 -6.9611 -6.4432 -6.4431 -6.3029 -6.3028 -2.1518 -2.1499 -0.2959 -0.2935 -0.0312 -0.0311 5.3756 5.3854 5.4128 5.4137 5.5948 5.6102 5.7854 5.7927 5.8350 5.8378 6.2705 6.2741 6.4868 6.4872 7.1987 7.2077 7.7342 7.7668 7.8366 7.8605 7.9660 7.9724 7.9962 8.0329 8.0734 8.0761 8.1370 8.1523 8.5312 8.5427 8.6172 8.6216 9.2347 9.2499 9.3371 9.3444 9.5185 9.5331 9.5612 9.5613 9.5872 9.6069 10.6465 10.6522 10.7094 10.7260 11.1982 11.2209 11.5586 11.5698 13.7505 13.7517 14.0886 14.0887 15.3146 15.3231 15.5658 15.5658 k = 0.0172 0.0172 0.2529 ( 4154 PWs) bands (ev): -30.7049 -30.7049 -15.6800 -15.6800 -11.8620 -11.8617 -10.6502 -10.6491 -10.2629 -10.2629 -8.1574 -8.1505 -7.1908 -7.1908 -6.9676 -6.9621 -6.4424 -6.4424 -6.3002 -6.3002 -2.1525 -2.1512 -0.2963 -0.2947 -0.0322 -0.0321 5.3786 5.3848 5.4129 5.4131 5.6011 5.6114 5.7874 5.7922 5.8369 5.8388 6.2695 6.2720 6.4872 6.4874 7.2117 7.2180 7.7467 7.7712 7.8545 7.8706 7.9517 7.9588 7.9956 8.0284 8.0835 8.0883 8.1463 8.1568 8.5336 8.5409 8.6188 8.6219 9.2605 9.2758 9.3527 9.3704 9.5091 9.5177 9.5429 9.5431 9.5663 9.5691 10.6601 10.6661 10.7208 10.7354 11.1763 11.1929 11.5583 11.5658 13.7411 13.7419 14.0745 14.0746 15.3036 15.3093 15.5673 15.5673 k = 0.0086 0.0086 0.2529 ( 4152 PWs) bands (ev): -30.7049 -30.7049 -15.6805 -15.6805 -11.8618 -11.8616 -10.6497 -10.6491 -10.2609 -10.2609 -8.1590 -8.1556 -7.1912 -7.1912 -6.9660 -6.9633 -6.4420 -6.4420 -6.2986 -6.2986 -2.1527 -2.1521 -0.2964 -0.2956 -0.0327 -0.0327 5.3807 5.3836 5.4131 5.4132 5.6058 5.6110 5.7891 5.7916 5.8383 5.8393 6.2691 6.2704 6.4874 6.4875 7.2203 7.2236 7.7578 7.7711 7.8700 7.8776 7.9405 7.9451 8.0005 8.0190 8.0914 8.0942 8.1543 8.1595 8.5358 8.5393 8.6203 8.6220 9.2813 9.2920 9.3676 9.3859 9.4925 9.5143 9.5314 9.5340 9.5426 9.5498 10.6696 10.6733 10.7309 10.7395 11.1642 11.1731 11.5588 11.5626 13.7355 13.7359 14.0661 14.0661 15.2975 15.3003 15.5682 15.5682 k = 0.0000 0.0000 0.2529 ( 4160 PWs) bands (ev): -30.7049 -30.7049 -15.6807 -15.6807 -11.8617 -11.8617 -10.6494 -10.6494 -10.2603 -10.2603 -8.1584 -8.1584 -7.1913 -7.1913 -6.9646 -6.9646 -6.4418 -6.4418 -6.2981 -6.2981 -2.1526 -2.1526 -0.2962 -0.2962 -0.0329 -0.0329 5.3822 5.3822 5.4132 5.4132 5.6091 5.6091 5.7905 5.7905 5.8391 5.8391 6.2694 6.2694 6.4875 6.4875 7.2243 7.2243 7.7663 7.7663 7.8786 7.8786 7.9373 7.9373 8.0089 8.0089 8.0950 8.0950 8.1589 8.1589 8.5377 8.5377 8.6215 8.6215 9.2933 9.2933 9.3823 9.3823 9.4975 9.4975 9.5313 9.5313 9.5384 9.5384 10.6742 10.6742 10.7378 10.7378 11.1632 11.1632 11.5603 11.5603 13.7338 13.7338 14.0632 14.0632 15.2964 15.2964 15.5685 15.5685 k = 0.0000 0.5000-0.0000 ( 4172 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9492 -11.9492 -10.7881 -10.7881 -10.3808 -10.3808 -7.5340 -7.5340 -7.4334 -7.4334 -6.9027 -6.9027 -6.5746 -6.5746 -6.4247 -6.4247 -2.0222 -2.0222 -0.1798 -0.1798 0.1330 0.1330 4.7869 4.7869 4.9222 4.9222 5.5938 5.5938 5.9516 5.9516 6.0402 6.0402 6.0670 6.0670 6.4687 6.4687 6.7787 6.7787 6.7919 6.7919 6.8994 6.8994 7.2848 7.2848 7.3534 7.3534 7.4239 7.4239 7.9152 7.9152 8.0509 8.0509 8.9538 8.9538 9.2860 9.2860 9.3564 9.3564 9.4605 9.4605 9.9293 9.9293 10.6629 10.6629 10.7247 10.7247 10.8134 10.8134 11.5995 11.5995 11.8825 11.8825 14.8885 14.8885 15.3938 15.3938 16.2500 16.2500 16.3072 16.3072 k = 0.0000 0.5000 0.0120 ( 4166 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9492 -11.9492 -10.7881 -10.7881 -10.3808 -10.3808 -7.5343 -7.5343 -7.4336 -7.4336 -6.9020 -6.9020 -6.5745 -6.5745 -6.4250 -6.4250 -2.0223 -2.0223 -0.1799 -0.1799 0.1330 0.1330 4.7862 4.7862 4.9228 4.9228 5.5955 5.5955 5.9516 5.9516 6.0407 6.0407 6.0668 6.0668 6.4687 6.4687 6.7787 6.7787 6.7916 6.7916 6.8988 6.8988 7.2848 7.2848 7.3539 7.3539 7.4176 7.4176 7.9186 7.9186 8.0528 8.0528 8.9538 8.9538 9.2865 9.2865 9.3570 9.3570 9.4603 9.4603 9.9294 9.9294 10.6629 10.6629 10.7247 10.7247 10.8133 10.8133 11.5984 11.5984 11.8818 11.8818 14.8903 14.8903 15.3938 15.3938 16.2497 16.2497 16.3086 16.3086 k = 0.0000 0.5000 0.0241 ( 4176 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9491 -11.9491 -10.7880 -10.7880 -10.3807 -10.3807 -7.5353 -7.5353 -7.4341 -7.4341 -6.8998 -6.8998 -6.5742 -6.5742 -6.4261 -6.4261 -2.0224 -2.0224 -0.1802 -0.1802 0.1330 0.1330 4.7840 4.7840 4.9247 4.9247 5.6006 5.6006 5.9516 5.9516 6.0421 6.0421 6.0663 6.0663 6.4686 6.4686 6.7779 6.7779 6.7914 6.7914 6.8971 6.8971 7.2849 7.2849 7.3541 7.3541 7.4008 7.4008 7.9272 7.9272 8.0592 8.0592 8.9539 8.9539 9.2877 9.2877 9.3587 9.3587 9.4597 9.4597 9.9297 9.9297 10.6628 10.6628 10.7246 10.7246 10.8129 10.8129 11.5948 11.5948 11.8797 11.8797 14.8957 14.8957 15.3938 15.3938 16.2485 16.2485 16.3132 16.3132 k = 0.0000 0.5000 0.0361 ( 4184 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9491 -11.9491 -10.7879 -10.7879 -10.3807 -10.3807 -7.5370 -7.5370 -7.4350 -7.4350 -6.8961 -6.8961 -6.5736 -6.5736 -6.4279 -6.4279 -2.0227 -2.0227 -0.1807 -0.1807 0.1329 0.1329 4.7805 4.7805 4.9277 4.9277 5.6091 5.6091 5.9517 5.9517 6.0444 6.0444 6.0654 6.0654 6.4685 6.4685 6.7746 6.7746 6.7933 6.7933 6.8943 6.8943 7.2845 7.2845 7.3451 7.3451 7.3851 7.3851 7.9366 7.9366 8.0719 8.0719 8.9540 8.9540 9.2896 9.2896 9.3618 9.3618 9.4589 9.4589 9.9302 9.9302 10.6626 10.6626 10.7245 10.7245 10.8122 10.8122 11.5888 11.5888 11.8764 11.8764 14.9045 14.9045 15.3939 15.3939 16.2461 16.2461 16.3213 16.3213 k = 0.0000 0.5000 0.0482 ( 4196 PWs) bands (ev): -30.6916 -30.6916 -15.5581 -15.5581 -11.9490 -11.9490 -10.7878 -10.7878 -10.3806 -10.3806 -7.5392 -7.5392 -7.4362 -7.4362 -6.8912 -6.8912 -6.5729 -6.5729 -6.4303 -6.4303 -2.0231 -2.0231 -0.1815 -0.1815 0.1329 0.1329 4.7759 4.7759 4.9316 4.9316 5.6210 5.6210 5.9518 5.9518 6.0474 6.0474 6.0643 6.0643 6.4683 6.4683 6.7686 6.7686 6.7977 6.7977 6.8905 6.8905 7.2817 7.2817 7.3171 7.3171 7.3847 7.3847 7.9427 7.9427 8.0927 8.0927 8.9542 8.9542 9.2917 9.2917 9.3661 9.3661 9.4579 9.4579 9.9309 9.9309 10.6624 10.6624 10.7242 10.7242 10.8113 10.8113 11.5803 11.5803 11.8720 11.8720 14.9168 14.9168 15.3940 15.3940 16.2424 16.2424 16.3332 16.3332 k = 0.0000 0.5000 0.0602 ( 4194 PWs) bands (ev): -30.6916 -30.6916 -15.5582 -15.5582 -11.9490 -11.9490 -10.7875 -10.7875 -10.3805 -10.3805 -7.5419 -7.5419 -7.4377 -7.4377 -6.8849 -6.8849 -6.5720 -6.5720 -6.4333 -6.4333 -2.0235 -2.0235 -0.1823 -0.1823 0.1328 0.1328 4.7705 4.7705 4.9362 4.9362 5.6361 5.6361 5.9519 5.9519 6.0510 6.0510 6.0634 6.0634 6.4681 6.4681 6.7605 6.7605 6.8041 6.8041 6.8857 6.8857 7.2607 7.2607 7.2951 7.2951 7.3926 7.3926 7.9435 7.9435 8.1212 8.1212 8.9546 8.9546 9.2938 9.2938 9.3718 9.3718 9.4573 9.4573 9.9318 9.9318 10.6622 10.6622 10.7240 10.7240 10.8103 10.8103 11.5693 11.5693 11.8670 11.8670 14.9323 14.9323 15.3941 15.3941 16.2374 16.2374 16.3492 16.3492 k = 0.0000 0.5000 0.0722 ( 4190 PWs) bands (ev): -30.6916 -30.6916 -15.5582 -15.5582 -11.9489 -11.9489 -10.7873 -10.7873 -10.3804 -10.3804 -7.5451 -7.5451 -7.4394 -7.4394 -6.8775 -6.8775 -6.5710 -6.5710 -6.4370 -6.4370 -2.0241 -2.0241 -0.1834 -0.1834 0.1327 0.1327 4.7645 4.7645 4.9412 4.9412 5.6544 5.6544 5.9521 5.9521 6.0539 6.0539 6.0635 6.0635 6.4679 6.4679 6.7510 6.7510 6.8119 6.8119 6.8799 6.8799 7.2155 7.2155 7.2914 7.2914 7.4036 7.4036 7.9396 7.9396 8.1552 8.1552 8.9549 8.9549 9.2954 9.2954 9.3784 9.3784 9.4573 9.4573 9.9329 9.9329 10.6619 10.6619 10.7237 10.7237 10.8091 10.8091 11.5557 11.5557 11.8615 11.8615 14.9509 14.9509 15.3943 15.3943 16.2314 16.2314 16.3691 16.3691 k = 0.0000 0.5000 0.0843 ( 4196 PWs) bands (ev): -30.6916 -30.6916 -15.5583 -15.5583 -11.9488 -11.9488 -10.7870 -10.7870 -10.3802 -10.3802 -7.5486 -7.5486 -7.4414 -7.4414 -6.8690 -6.8690 -6.5700 -6.5700 -6.4412 -6.4412 -2.0247 -2.0247 -0.1846 -0.1846 0.1326 0.1326 4.7581 4.7581 4.9464 4.9464 5.6758 5.6758 5.9523 5.9523 6.0544 6.0544 6.0665 6.0665 6.4676 6.4676 6.7407 6.7407 6.8208 6.8208 6.8734 6.8734 7.1639 7.1639 7.2908 7.2908 7.4163 7.4163 7.9319 7.9319 8.1926 8.1926 8.9553 8.9553 9.2965 9.2965 9.3851 9.3851 9.4589 9.4589 9.9342 9.9342 10.6616 10.6616 10.7233 10.7233 10.8077 10.8077 11.5397 11.5397 11.8558 11.8558 14.9723 14.9723 15.3944 15.3944 16.2246 16.2246 16.3925 16.3925 k = 0.0000 0.5000 0.0963 ( 4200 PWs) bands (ev): -30.6916 -30.6916 -15.5584 -15.5584 -11.9486 -11.9486 -10.7867 -10.7867 -10.3801 -10.3801 -7.5524 -7.5524 -7.4435 -7.4435 -6.8597 -6.8597 -6.5689 -6.5689 -6.4459 -6.4459 -2.0253 -2.0253 -0.1858 -0.1858 0.1325 0.1325 4.7515 4.7515 4.9518 4.9518 5.7001 5.7001 5.9525 5.9525 6.0529 6.0529 6.0719 6.0719 6.4673 6.4673 6.7298 6.7298 6.8302 6.8302 6.8665 6.8665 7.1098 7.1098 7.2906 7.2906 7.4301 7.4301 7.9215 7.9215 8.2316 8.2316 8.9557 8.9557 9.2970 9.2970 9.3906 9.3906 9.4632 9.4632 9.9358 9.9358 10.6612 10.6612 10.7229 10.7229 10.8062 10.8062 11.5214 11.5214 11.8501 11.8501 14.9962 14.9962 15.3946 15.3946 16.2175 16.2175 16.4193 16.4193 k = 0.0000 0.5000 0.1084 ( 4200 PWs) bands (ev): -30.6916 -30.6916 -15.5584 -15.5584 -11.9485 -11.9485 -10.7864 -10.7864 -10.3799 -10.3799 -7.5564 -7.5564 -7.4457 -7.4457 -6.8496 -6.8496 -6.5680 -6.5680 -6.4509 -6.4509 -2.0260 -2.0260 -0.1872 -0.1872 0.1324 0.1324 4.7449 4.7449 4.9571 4.9571 5.7273 5.7273 5.9527 5.9527 6.0506 6.0506 6.0785 6.0785 6.4670 6.4670 6.7188 6.7188 6.8384 6.8384 6.8603 6.8603 7.0549 7.0549 7.2905 7.2905 7.4445 7.4445 7.9091 7.9091 8.2709 8.2709 8.9562 8.9562 9.2968 9.2968 9.3940 9.3940 9.4710 9.4710 9.9375 9.9375 10.6608 10.6608 10.7224 10.7224 10.8047 10.8047 11.5010 11.5010 11.8448 11.8448 15.0223 15.0223 15.3948 15.3948 16.2102 16.2102 16.4489 16.4489 k = 0.0000 0.5000 0.1204 ( 4176 PWs) bands (ev): -30.6916 -30.6916 -15.5585 -15.5585 -11.9484 -11.9484 -10.7861 -10.7861 -10.3798 -10.3798 -7.5604 -7.5604 -7.4480 -7.4480 -6.8389 -6.8389 -6.5672 -6.5672 -6.4563 -6.4563 -2.0267 -2.0267 -0.1886 -0.1886 0.1323 0.1323 4.7385 4.7385 4.9623 4.9623 5.7572 5.7572 5.9530 5.9530 6.0480 6.0480 6.0857 6.0857 6.4667 6.4667 6.7079 6.7079 6.8393 6.8393 6.8599 6.8599 7.0009 7.0009 7.2905 7.2905 7.4590 7.4590 7.8953 7.8953 8.3097 8.3097 8.9567 8.9567 9.2961 9.2961 9.3949 9.3949 9.4825 9.4825 9.9395 9.9395 10.6605 10.6605 10.7219 10.7219 10.8033 10.8033 11.4790 11.4790 11.8398 11.8398 15.0503 15.0503 15.3950 15.3950 16.2029 16.2029 16.4804 16.4804 k = 0.0000 0.5000 0.1325 ( 4184 PWs) bands (ev): -30.6916 -30.6916 -15.5586 -15.5586 -11.9482 -11.9482 -10.7857 -10.7857 -10.3796 -10.3796 -7.5644 -7.5644 -7.4503 -7.4503 -6.8278 -6.8278 -6.5667 -6.5667 -6.4618 -6.4618 -2.0275 -2.0275 -0.1900 -0.1900 0.1322 0.1322 4.7322 4.7322 4.9673 4.9673 5.7894 5.7894 5.9532 5.9532 6.0453 6.0453 6.0933 6.0933 6.4664 6.4664 6.6972 6.6972 6.8302 6.8302 6.8642 6.8642 6.9518 6.9518 7.2905 7.2905 7.4734 7.4734 7.8805 7.8805 8.3472 8.3472 8.9572 8.9572 9.2948 9.2948 9.3935 9.3935 9.4966 9.4966 9.9416 9.9416 10.6601 10.6601 10.7213 10.7213 10.8018 10.8018 11.4557 11.4557 11.8353 11.8353 15.0796 15.0796 15.3952 15.3952 16.1958 16.1958 16.5125 16.5125 k = 0.0000 0.5000 0.1445 ( 4194 PWs) bands (ev): -30.6916 -30.6916 -15.5586 -15.5586 -11.9481 -11.9481 -10.7854 -10.7854 -10.3795 -10.3795 -7.5683 -7.5683 -7.4525 -7.4525 -6.8165 -6.8165 -6.5666 -6.5666 -6.4673 -6.4673 -2.0282 -2.0282 -0.1914 -0.1914 0.1320 0.1320 4.7262 4.7262 4.9719 4.9719 5.8239 5.8239 5.9534 5.9534 6.0426 6.0426 6.1010 6.1010 6.4660 6.4660 6.6869 6.6869 6.8130 6.8130 6.8595 6.8595 6.9202 6.9202 7.2904 7.2904 7.4873 7.4873 7.8652 7.8652 8.3830 8.3830 8.9576 8.9576 9.2930 9.2930 9.3908 9.3908 9.5126 9.5126 9.9439 9.9439 10.6596 10.6596 10.7206 10.7206 10.8003 10.8003 11.4316 11.4316 11.8313 11.8313 15.1098 15.1098 15.3954 15.3954 16.1891 16.1891 16.5429 16.5429 k = 0.0000 0.5000 0.1565 ( 4194 PWs) bands (ev): -30.6916 -30.6916 -15.5587 -15.5587 -11.9480 -11.9480 -10.7851 -10.7851 -10.3793 -10.3793 -7.5721 -7.5721 -7.4547 -7.4547 -6.8052 -6.8052 -6.5668 -6.5668 -6.4727 -6.4727 -2.0289 -2.0289 -0.1928 -0.1928 0.1319 0.1319 4.7207 4.7207 4.9762 4.9762 5.8602 5.8602 5.9536 5.9536 6.0400 6.0400 6.1087 6.1087 6.4657 6.4657 6.6772 6.6772 6.7810 6.7810 6.8423 6.8423 6.9163 6.9163 7.2904 7.2904 7.5004 7.5004 7.8498 7.8498 8.4165 8.4165 8.9581 8.9581 9.2909 9.2909 9.3873 9.3873 9.5293 9.5293 9.9463 9.9463 10.6592 10.6592 10.7200 10.7200 10.7989 10.7989 11.4077 11.4077 11.8279 11.8279 15.1402 15.1402 15.3956 15.3956 16.1829 16.1829 16.5677 16.5677 k = 0.0000 0.5000 0.1686 ( 4188 PWs) bands (ev): -30.6916 -30.6916 -15.5587 -15.5587 -11.9479 -11.9479 -10.7848 -10.7848 -10.3791 -10.3791 -7.5755 -7.5755 -7.4567 -7.4567 -6.7940 -6.7940 -6.5676 -6.5676 -6.4778 -6.4778 -2.0296 -2.0296 -0.1940 -0.1940 0.1318 0.1318 4.7156 4.7156 4.9801 4.9801 5.8980 5.8980 5.9539 5.9539 6.0375 6.0375 6.1163 6.1163 6.4654 6.4654 6.6680 6.6680 6.7356 6.7356 6.8281 6.8281 6.9241 6.9241 7.2904 7.2904 7.5126 7.5126 7.8347 7.8347 8.4474 8.4474 8.9585 8.9585 9.2885 9.2885 9.3835 9.3835 9.5460 9.5460 9.9488 9.9488 10.6588 10.6588 10.7193 10.7193 10.7976 10.7976 11.3842 11.3842 11.8249 11.8249 15.1701 15.1701 15.3959 15.3959 16.1772 16.1772 16.5821 16.5821 k = 0.0000 0.5000 0.1806 ( 4184 PWs) bands (ev): -30.6916 -30.6916 -15.5588 -15.5588 -11.9477 -11.9477 -10.7845 -10.7845 -10.3790 -10.3790 -7.5786 -7.5786 -7.4586 -7.4586 -6.7834 -6.7834 -6.5689 -6.5689 -6.4824 -6.4824 -2.0302 -2.0302 -0.1952 -0.1952 0.1317 0.1317 4.7111 4.7111 4.9836 4.9836 5.9366 5.9366 5.9542 5.9542 6.0354 6.0354 6.1235 6.1235 6.4651 6.4651 6.6578 6.6578 6.6871 6.6871 6.8179 6.8179 6.9344 6.9344 7.2903 7.2903 7.5235 7.5235 7.8204 7.8204 8.4751 8.4751 8.9589 8.9589 9.2859 9.2859 9.3797 9.3797 9.5619 9.5619 9.9513 9.9513 10.6585 10.6585 10.7187 10.7187 10.7965 10.7965 11.3620 11.3620 11.8225 11.8225 15.1988 15.1988 15.3961 15.3961 16.1721 16.1721 16.5831 16.5831 k = 0.0000 0.5000 0.1927 ( 4184 PWs) bands (ev): -30.6916 -30.6916 -15.5589 -15.5589 -11.9476 -11.9476 -10.7843 -10.7843 -10.3789 -10.3789 -7.5814 -7.5814 -7.4602 -7.4602 -6.7734 -6.7734 -6.5707 -6.5707 -6.4863 -6.4863 -2.0307 -2.0307 -0.1962 -0.1962 0.1317 0.1317 4.7071 4.7071 4.9865 4.9865 5.9540 5.9540 5.9754 5.9754 6.0339 6.0339 6.1304 6.1304 6.4647 6.4647 6.6275 6.6275 6.6593 6.6593 6.8097 6.8097 6.9447 6.9447 7.2902 7.2902 7.5331 7.5331 7.8073 7.8073 8.4994 8.4994 8.9593 8.9593 9.2833 9.2833 9.3762 9.3762 9.5764 9.5764 9.9537 9.9537 10.6581 10.6581 10.7181 10.7181 10.7955 10.7955 11.3418 11.3418 11.8205 11.8205 15.2253 15.2253 15.3962 15.3962 16.1678 16.1678 16.5728 16.5728 k = 0.0000 0.5000 0.2047 ( 4182 PWs) bands (ev): -30.6916 -30.6916 -15.5589 -15.5589 -11.9476 -11.9476 -10.7841 -10.7841 -10.3788 -10.3788 -7.5837 -7.5837 -7.4616 -7.4616 -6.7645 -6.7645 -6.5728 -6.5728 -6.4896 -6.4896 -2.0312 -2.0312 -0.1971 -0.1971 0.1316 0.1316 4.7039 4.7039 4.9890 4.9890 5.9542 5.9542 6.0105 6.0105 6.0350 6.0350 6.1368 6.1368 6.4644 6.4644 6.5806 6.5806 6.6515 6.6515 6.8030 6.8030 6.9541 6.9541 7.2902 7.2902 7.5411 7.5411 7.7958 7.7958 8.5199 8.5199 8.9597 8.9597 9.2807 9.2807 9.3732 9.3732 9.5890 9.5890 9.9560 9.9560 10.6578 10.6578 10.7177 10.7177 10.7947 10.7947 11.3241 11.3241 11.8189 11.8189 15.2488 15.2488 15.3964 15.3964 16.1641 16.1641 16.5569 16.5569 k = 0.0000 0.5000 0.2167 ( 4194 PWs) bands (ev): -30.6916 -30.6916 -15.5589 -15.5589 -11.9475 -11.9475 -10.7839 -10.7839 -10.3787 -10.3787 -7.5855 -7.5855 -7.4627 -7.4627 -6.7570 -6.7570 -6.5749 -6.5749 -6.4921 -6.4921 -2.0315 -2.0315 -0.1978 -0.1978 0.1315 0.1315 4.7013 4.7013 4.9909 4.9909 5.9543 5.9543 6.0253 6.0253 6.0537 6.0537 6.1429 6.1429 6.4639 6.4639 6.5363 6.5363 6.6466 6.6466 6.7978 6.7978 6.9619 6.9619 7.2901 7.2901 7.5475 7.5475 7.7864 7.7864 8.5362 8.5362 8.9599 8.9599 9.2785 9.2785 9.3707 9.3707 9.5993 9.5993 9.9579 9.9579 10.6575 10.6575 10.7172 10.7172 10.7940 10.7940 11.3097 11.3097 11.8176 11.8176 15.2684 15.2684 15.3966 15.3966 16.1613 16.1613 16.5401 16.5401 k = 0.0000 0.5000 0.2288 ( 4194 PWs) bands (ev): -30.6916 -30.6916 -15.5590 -15.5590 -11.9475 -11.9475 -10.7838 -10.7838 -10.3786 -10.3786 -7.5869 -7.5869 -7.4635 -7.4635 -6.7513 -6.7513 -6.5768 -6.5768 -6.4938 -6.4938 -2.0318 -2.0318 -0.1983 -0.1983 0.1315 0.1315 4.6994 4.6994 4.9923 4.9923 5.9544 5.9544 6.0262 6.0262 6.0805 6.0805 6.1491 6.1491 6.4630 6.4630 6.4997 6.4997 6.6433 6.6433 6.7940 6.7940 6.9678 6.9678 7.2901 7.2901 7.5521 7.5521 7.7794 7.7794 8.5481 8.5481 8.9601 8.9601 9.2767 9.2767 9.3689 9.3689 9.6069 9.6069 9.9594 9.9594 10.6573 10.6573 10.7169 10.7169 10.7936 10.7936 11.2990 11.2990 11.8167 11.8167 15.2831 15.2831 15.3967 15.3967 16.1592 16.1592 16.5261 16.5261 k = 0.0000 0.5000 0.2408 ( 4194 PWs) bands (ev): -30.6916 -30.6916 -15.5590 -15.5590 -11.9474 -11.9474 -10.7837 -10.7837 -10.3786 -10.3786 -7.5877 -7.5877 -7.4640 -7.4640 -6.7478 -6.7478 -6.5781 -6.5781 -6.4949 -6.4949 -2.0320 -2.0320 -0.1986 -0.1986 0.1315 0.1315 4.6983 4.6983 4.9931 4.9931 5.9545 5.9545 6.0260 6.0260 6.0986 6.0986 6.1549 6.1549 6.4598 6.4598 6.4768 6.4768 6.6413 6.6413 6.7917 6.7917 6.9715 6.9715 7.2900 7.2900 7.5550 7.5550 7.7750 7.7750 8.5553 8.5553 8.9602 8.9602 9.2756 9.2756 9.3678 9.3678 9.6115 9.6115 9.9603 9.9603 10.6572 10.6572 10.7167 10.7167 10.7933 10.7933 11.2924 11.2924 11.8163 11.8163 15.2923 15.2923 15.3968 15.3968 16.1579 16.1579 16.5168 16.5168 k = 0.0000 0.5000 0.2529 ( 4192 PWs) bands (ev): -30.6916 -30.6916 -15.5590 -15.5590 -11.9474 -11.9474 -10.7837 -10.7837 -10.3786 -10.3786 -7.5879 -7.5879 -7.4641 -7.4641 -6.7465 -6.7465 -6.5786 -6.5786 -6.4952 -6.4952 -2.0320 -2.0320 -0.1987 -0.1987 0.1315 0.1315 4.6979 4.6979 4.9934 4.9934 5.9545 5.9545 6.0259 6.0259 6.1047 6.1047 6.1577 6.1577 6.4559 6.4559 6.4712 6.4712 6.6406 6.6406 6.7909 6.7909 6.9727 6.9727 7.2900 7.2900 7.5559 7.5559 7.7735 7.7735 8.5577 8.5577 8.9603 8.9603 9.2752 9.2752 9.3674 9.3674 9.6131 9.6131 9.9607 9.9607 10.6572 10.6572 10.7166 10.7166 10.7932 10.7932 11.2902 11.2902 11.8161 11.8161 15.2954 15.2954 15.3968 15.3968 16.1575 16.1575 16.5136 16.5136 k = 0.5000 0.5000-0.0000 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4680 -15.4680 -12.0191 -12.0191 -10.8961 -10.8961 -10.5049 -10.5049 -7.2860 -7.2860 -7.2651 -7.2651 -6.4821 -6.4821 -6.4790 -6.4790 -6.3571 -6.3571 -2.5674 -2.5674 -0.9030 -0.9030 -0.5059 -0.5059 3.6088 3.6088 4.1633 4.1633 4.7459 4.7459 5.5214 5.5214 5.5801 5.5801 5.9952 5.9952 6.3541 6.3541 6.6534 6.6534 6.7391 6.7391 6.9460 6.9460 6.9702 6.9702 8.5284 8.5284 8.5843 8.5843 8.9504 8.9504 9.0213 9.0213 9.3509 9.3509 9.3572 9.3572 9.4720 9.4720 9.4865 9.4865 10.8181 10.8181 10.8532 10.8532 11.0264 11.0264 11.1626 11.1626 12.2628 12.2628 13.8221 13.8221 14.2625 14.2625 15.3717 15.3717 15.4368 15.4368 15.4790 15.4790 k = 0.5000 0.5000 0.0120 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4680 -15.4680 -12.0191 -12.0191 -10.8961 -10.8961 -10.5049 -10.5049 -7.2861 -7.2861 -7.2651 -7.2651 -6.4821 -6.4821 -6.4789 -6.4789 -6.3570 -6.3570 -2.5675 -2.5675 -0.9030 -0.9030 -0.5061 -0.5061 3.6080 3.6080 4.1641 4.1641 4.7474 4.7474 5.5214 5.5214 5.5801 5.5801 5.9940 5.9940 6.3540 6.3540 6.6517 6.6517 6.7360 6.7360 6.9491 6.9491 6.9717 6.9717 8.5302 8.5302 8.5843 8.5843 8.9512 8.9512 9.0221 9.0221 9.3507 9.3507 9.3572 9.3572 9.4718 9.4718 9.4863 9.4863 10.8181 10.8181 10.8533 10.8533 11.0263 11.0263 11.1584 11.1584 12.2628 12.2628 13.8220 13.8220 14.2667 14.2667 15.3738 15.3738 15.4377 15.4377 15.4800 15.4800 k = 0.5000 0.5000 0.0241 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4680 -15.4680 -12.0190 -12.0190 -10.8961 -10.8961 -10.5048 -10.5048 -7.2863 -7.2863 -7.2653 -7.2653 -6.4821 -6.4821 -6.4786 -6.4786 -6.3568 -6.3568 -2.5676 -2.5676 -0.9030 -0.9030 -0.5066 -0.5066 3.6059 3.6059 4.1662 4.1662 4.7520 4.7520 5.5214 5.5214 5.5800 5.5800 5.9902 5.9902 6.3536 6.3536 6.6467 6.6467 6.7270 6.7270 6.9576 6.9576 6.9759 6.9759 8.5356 8.5356 8.5843 8.5843 8.9537 8.9537 9.0243 9.0243 9.3504 9.3504 9.3571 9.3571 9.4708 9.4708 9.4855 9.4855 10.8177 10.8177 10.8532 10.8532 11.0261 11.0261 11.1459 11.1459 12.2628 12.2628 13.8220 13.8220 14.2790 14.2790 15.3800 15.3800 15.4405 15.4405 15.4829 15.4829 k = 0.5000 0.5000 0.0361 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4680 -15.4680 -12.0190 -12.0190 -10.8961 -10.8961 -10.5047 -10.5047 -7.2866 -7.2866 -7.2657 -7.2657 -6.4821 -6.4821 -6.4782 -6.4782 -6.3564 -6.3564 -2.5677 -2.5677 -0.9030 -0.9030 -0.5076 -0.5076 3.6024 3.6024 4.1697 4.1697 4.7595 4.7595 5.5214 5.5214 5.5800 5.5800 5.9840 5.9840 6.3529 6.3529 6.6387 6.6387 6.7136 6.7136 6.9703 6.9703 6.9825 6.9825 8.5445 8.5445 8.5844 8.5844 8.9578 8.9578 9.0280 9.0280 9.3498 9.3498 9.3570 9.3570 9.4693 9.4693 9.4841 9.4841 10.8171 10.8171 10.8530 10.8530 11.0258 11.0258 11.1254 11.1254 12.2628 12.2628 13.8220 13.8220 14.2992 14.2992 15.3903 15.3903 15.4450 15.4450 15.4877 15.4877 k = 0.5000 0.5000 0.0482 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4681 -15.4681 -12.0190 -12.0190 -10.8960 -10.8960 -10.5046 -10.5046 -7.2871 -7.2871 -7.2661 -7.2661 -6.4821 -6.4821 -6.4777 -6.4777 -6.3559 -6.3559 -2.5679 -2.5679 -0.9031 -0.9031 -0.5090 -0.5090 3.5978 3.5978 4.1744 4.1744 4.7700 4.7700 5.5215 5.5215 5.5799 5.5799 5.9755 5.9755 6.3520 6.3520 6.6283 6.6283 6.6972 6.6972 6.9858 6.9858 6.9911 6.9911 8.5571 8.5571 8.5846 8.5846 8.9635 8.9635 9.0331 9.0331 9.3491 9.3491 9.3569 9.3569 9.4672 9.4672 9.4822 9.4822 10.8160 10.8160 10.8527 10.8527 11.0254 11.0254 11.0976 11.0976 12.2628 12.2628 13.8220 13.8220 14.3267 14.3267 15.4047 15.4047 15.4514 15.4514 15.4944 15.4944 k = 0.5000 0.5000 0.0602 ( 4240 PWs) bands (ev): -30.6785 -30.6785 -15.4681 -15.4681 -12.0190 -12.0190 -10.8960 -10.8960 -10.5045 -10.5045 -7.2877 -7.2877 -7.2666 -7.2666 -6.4821 -6.4821 -6.4770 -6.4770 -6.3552 -6.3552 -2.5682 -2.5682 -0.9031 -0.9031 -0.5106 -0.5106 3.5920 3.5920 4.1802 4.1802 4.7833 4.7833 5.5215 5.5215 5.5798 5.5798 5.9645 5.9645 6.3508 6.3508 6.6160 6.6160 6.6789 6.6789 7.0012 7.0012 7.0029 7.0029 8.5727 8.5727 8.5852 8.5852 8.9707 8.9707 9.0396 9.0396 9.3481 9.3481 9.3567 9.3567 9.4644 9.4644 9.4797 9.4797 10.8144 10.8144 10.8523 10.8523 11.0249 11.0249 11.0634 11.0634 12.2628 12.2628 13.8220 13.8220 14.3609 14.3609 15.4230 15.4230 15.4595 15.4595 15.5029 15.5029 k = 0.5000 0.5000 0.0722 ( 4220 PWs) bands (ev): -30.6785 -30.6785 -15.4681 -15.4681 -12.0189 -12.0189 -10.8960 -10.8960 -10.5043 -10.5043 -7.2884 -7.2884 -7.2673 -7.2673 -6.4821 -6.4821 -6.4762 -6.4762 -6.3545 -6.3545 -2.5685 -2.5685 -0.9031 -0.9031 -0.5126 -0.5126 3.5855 3.5855 4.1869 4.1869 4.7992 4.7992 5.5216 5.5216 5.5797 5.5797 5.9514 5.9514 6.3496 6.3496 6.6023 6.6023 6.6597 6.6597 7.0122 7.0122 7.0207 7.0207 8.5835 8.5835 8.5939 8.5939 8.9792 8.9792 9.0473 9.0473 9.3470 9.3470 9.3565 9.3565 9.4611 9.4611 9.4767 9.4767 10.8121 10.8121 10.8519 10.8519 11.0239 11.0239 11.0244 11.0244 12.2628 12.2628 13.8220 13.8220 14.4009 14.4009 15.4450 15.4450 15.4693 15.4693 15.5132 15.5132 k = 0.5000 0.5000 0.0843 ( 4228 PWs) bands (ev): -30.6785 -30.6785 -15.4682 -15.4682 -12.0189 -12.0189 -10.8959 -10.8959 -10.5041 -10.5041 -7.2891 -7.2891 -7.2680 -7.2680 -6.4820 -6.4820 -6.4753 -6.4753 -6.3536 -6.3536 -2.5689 -2.5689 -0.9031 -0.9031 -0.5148 -0.5148 3.5783 3.5783 4.1942 4.1942 4.8176 4.8176 5.5217 5.5217 5.5795 5.5795 5.9361 5.9361 6.3480 6.3480 6.5878 6.5878 6.6401 6.6401 7.0237 7.0237 7.0387 7.0387 8.5844 8.5844 8.6155 8.6155 8.9890 8.9890 9.0562 9.0562 9.3456 9.3456 9.3563 9.3563 9.4572 9.4572 9.4732 9.4732 10.8082 10.8082 10.8514 10.8514 10.9803 10.9803 11.0238 11.0238 12.2628 12.2628 13.8220 13.8220 14.4459 14.4459 15.4703 15.4703 15.4812 15.4812 15.5251 15.5251 k = 0.5000 0.5000 0.0963 ( 4224 PWs) bands (ev): -30.6785 -30.6785 -15.4682 -15.4682 -12.0188 -12.0188 -10.8959 -10.8959 -10.5039 -10.5039 -7.2900 -7.2900 -7.2688 -7.2688 -6.4820 -6.4820 -6.4743 -6.4743 -6.3527 -6.3527 -2.5693 -2.5693 -0.9032 -0.9032 -0.5172 -0.5172 3.5706 3.5706 4.2020 4.2020 4.8383 4.8383 5.5217 5.5217 5.5793 5.5793 5.9188 5.9188 6.3464 6.3464 6.5729 6.5729 6.6207 6.6207 7.0354 7.0354 7.0564 7.0564 8.5846 8.5846 8.6405 8.6405 8.9999 8.9999 9.0662 9.0662 9.3441 9.3441 9.3560 9.3560 9.4528 9.4528 9.4693 9.4693 10.8013 10.8013 10.8508 10.8508 10.9356 10.9356 11.0231 11.0231 12.2628 12.2628 13.8220 13.8220 14.4949 14.4949 15.4919 15.4919 15.5016 15.5016 15.5386 15.5386 k = 0.5000 0.5000 0.1084 ( 4224 PWs) bands (ev): -30.6785 -30.6785 -15.4682 -15.4682 -12.0188 -12.0188 -10.8959 -10.8959 -10.5037 -10.5037 -7.2909 -7.2909 -7.2696 -7.2696 -6.4820 -6.4820 -6.4732 -6.4732 -6.3517 -6.3517 -2.5697 -2.5697 -0.9032 -0.9032 -0.5197 -0.5197 3.5626 3.5626 4.2100 4.2100 4.8609 4.8609 5.5218 5.5218 5.5791 5.5791 5.8997 5.8997 6.3447 6.3447 6.5580 6.5580 6.6017 6.6017 7.0469 7.0469 7.0735 7.0735 8.5849 8.5849 8.6679 8.6679 9.0116 9.0116 9.0771 9.0771 9.3424 9.3424 9.3558 9.3558 9.4479 9.4479 9.4650 9.4650 10.7878 10.7878 10.8502 10.8502 10.8942 10.8942 11.0223 11.0223 12.2628 12.2628 13.8220 13.8220 14.5469 14.5469 15.5067 15.5067 15.5333 15.5333 15.5535 15.5535 k = 0.5000 0.5000 0.1204 ( 4216 PWs) bands (ev): -30.6785 -30.6785 -15.4683 -15.4683 -12.0187 -12.0187 -10.8958 -10.8958 -10.5035 -10.5035 -7.2918 -7.2918 -7.2704 -7.2704 -6.4819 -6.4819 -6.4721 -6.4721 -6.3507 -6.3507 -2.5701 -2.5701 -0.9033 -0.9033 -0.5223 -0.5223 3.5546 3.5546 4.2181 4.2181 4.8853 4.8853 5.5218 5.5218 5.5789 5.5789 5.8791 5.8791 6.3430 6.3430 6.5433 6.5433 6.5835 6.5835 7.0580 7.0580 7.0897 7.0897 8.5851 8.5851 8.6973 8.6973 9.0241 9.0241 9.0887 9.0887 9.3406 9.3406 9.3555 9.3555 9.4425 9.4425 9.4603 9.4603 10.7610 10.7610 10.8496 10.8496 10.8638 10.8638 11.0216 11.0216 12.2628 12.2628 13.8221 13.8221 14.6009 14.6009 15.5221 15.5221 15.5684 15.5684 15.5696 15.5696 k = 0.5000 0.5000 0.1325 ( 4216 PWs) bands (ev): -30.6785 -30.6785 -15.4683 -15.4683 -12.0187 -12.0187 -10.8958 -10.8958 -10.5033 -10.5033 -7.2927 -7.2927 -7.2713 -7.2713 -6.4819 -6.4819 -6.4710 -6.4710 -6.3497 -6.3497 -2.5706 -2.5706 -0.9033 -0.9033 -0.5250 -0.5250 3.5467 3.5467 4.2261 4.2261 4.9111 4.9111 5.5219 5.5219 5.5787 5.5787 5.8571 5.8571 6.3412 6.3412 6.5291 6.5291 6.5663 6.5663 7.0686 7.0686 7.1050 7.1050 8.5853 8.5853 8.7282 8.7282 9.0371 9.0371 9.1010 9.1010 9.3386 9.3386 9.3552 9.3552 9.4367 9.4367 9.4554 9.4554 10.7193 10.7193 10.8471 10.8471 10.8490 10.8490 11.0208 11.0208 12.2628 12.2628 13.8221 13.8221 14.6560 14.6560 15.5382 15.5382 15.5867 15.5867 15.6060 15.6060 k = 0.5000 0.5000 0.1445 ( 4200 PWs) bands (ev): -30.6785 -30.6785 -15.4684 -15.4684 -12.0186 -12.0186 -10.8957 -10.8957 -10.5031 -10.5031 -7.2936 -7.2936 -7.2721 -7.2721 -6.4819 -6.4819 -6.4699 -6.4699 -6.3487 -6.3487 -2.5710 -2.5710 -0.9033 -0.9033 -0.5276 -0.5276 3.5391 3.5391 4.2339 4.2339 4.9378 4.9378 5.5219 5.5219 5.5783 5.5783 5.8342 5.8342 6.3394 6.3394 6.5157 6.5157 6.5503 6.5503 7.0786 7.0786 7.1192 7.1192 8.5855 8.5855 8.7603 8.7603 9.0504 9.0504 9.1138 9.1138 9.3364 9.3364 9.3549 9.3549 9.4306 9.4306 9.4503 9.4503 10.6692 10.6692 10.8388 10.8388 10.8484 10.8484 11.0201 11.0201 12.2628 12.2628 13.8221 13.8221 14.7111 14.7111 15.5551 15.5551 15.6045 15.6045 15.6455 15.6455 k = 0.5000 0.5000 0.1565 ( 4204 PWs) bands (ev): -30.6785 -30.6785 -15.4684 -15.4684 -12.0185 -12.0185 -10.8957 -10.8957 -10.5029 -10.5029 -7.2945 -7.2945 -7.2730 -7.2730 -6.4819 -6.4819 -6.4689 -6.4689 -6.3477 -6.3477 -2.5714 -2.5714 -0.9034 -0.9034 -0.5301 -0.5301 3.5319 3.5319 4.2412 4.2412 4.9650 4.9650 5.5220 5.5220 5.5779 5.5779 5.8107 5.8107 6.3377 6.3377 6.5032 6.5032 6.5355 6.5355 7.0877 7.0877 7.1320 7.1320 8.5856 8.5856 8.7925 8.7925 9.0637 9.0637 9.1267 9.1267 9.3342 9.3342 9.3546 9.3546 9.4243 9.4243 9.4451 9.4451 10.6163 10.6163 10.8341 10.8341 10.8478 10.8478 11.0194 11.0194 12.2628 12.2628 13.8221 13.8221 14.7650 14.7650 15.5721 15.5721 15.6225 15.6225 15.6862 15.6862 k = 0.5000 0.5000 0.1686 ( 4204 PWs) bands (ev): -30.6785 -30.6785 -15.4685 -15.4685 -12.0185 -12.0185 -10.8956 -10.8956 -10.5027 -10.5027 -7.2953 -7.2953 -7.2737 -7.2737 -6.4818 -6.4818 -6.4679 -6.4679 -6.3468 -6.3468 -2.5718 -2.5718 -0.9034 -0.9034 -0.5324 -0.5324 3.5252 3.5252 4.2479 4.2479 4.9922 4.9922 5.5219 5.5219 5.5775 5.5775 5.7871 5.7871 6.3361 6.3361 6.4918 6.4918 6.5222 6.5222 7.0958 7.0958 7.1435 7.1435 8.5858 8.5858 8.8244 8.8244 9.0766 9.0766 9.1395 9.1395 9.3318 9.3318 9.3544 9.3544 9.4179 9.4179 9.4400 9.4400 10.5638 10.5638 10.8312 10.8312 10.8472 10.8472 11.0187 11.0187 12.2628 12.2628 13.8221 13.8221 14.8168 14.8168 15.5891 15.5891 15.6405 15.6405 15.7273 15.7273 k = 0.5000 0.5000 0.1806 ( 4224 PWs) bands (ev): -30.6785 -30.6785 -15.4685 -15.4685 -12.0185 -12.0185 -10.8956 -10.8956 -10.5025 -10.5025 -7.2961 -7.2961 -7.2744 -7.2744 -6.4818 -6.4818 -6.4670 -6.4670 -6.3460 -6.3460 -2.5722 -2.5722 -0.9035 -0.9035 -0.5346 -0.5346 3.5192 3.5192 4.2540 4.2540 5.0187 5.0187 5.5219 5.5219 5.5769 5.5769 5.7641 5.7641 6.3347 6.3347 6.4817 6.4817 6.5104 6.5104 7.1030 7.1030 7.1536 7.1536 8.5859 8.5859 8.8548 8.8548 9.0890 9.0890 9.1521 9.1521 9.3294 9.3294 9.3541 9.3541 9.4116 9.4116 9.4351 9.4351 10.5138 10.5138 10.8292 10.8292 10.8466 10.8466 11.0181 11.0181 12.2628 12.2628 13.8221 13.8221 14.8652 14.8652 15.6055 15.6055 15.6579 15.6579 15.7678 15.7678 k = 0.5000 0.5000 0.1927 ( 4224 PWs) bands (ev): -30.6785 -30.6785 -15.4685 -15.4685 -12.0184 -12.0184 -10.8956 -10.8956 -10.5023 -10.5023 -7.2967 -7.2967 -7.2751 -7.2751 -6.4818 -6.4818 -6.4662 -6.4662 -6.3453 -6.3453 -2.5725 -2.5725 -0.9035 -0.9035 -0.5365 -0.5365 3.5140 3.5140 4.2593 4.2593 5.0437 5.0437 5.5218 5.5218 5.5763 5.5763 5.7423 5.7423 6.3334 6.3334 6.4730 6.4730 6.5003 6.5003 7.1091 7.1091 7.1621 7.1621 8.5861 8.5861 8.8831 8.8831 9.1005 9.1005 9.1639 9.1639 9.3269 9.3269 9.3538 9.3538 9.4056 9.4056 9.4306 9.4306 10.4680 10.4680 10.8278 10.8278 10.8461 10.8461 11.0175 11.0175 12.2628 12.2628 13.8220 13.8220 14.9092 14.9092 15.6208 15.6208 15.6741 15.6741 15.8064 15.8064 k = 0.5000 0.5000 0.2047 ( 4224 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0184 -12.0184 -10.8956 -10.8956 -10.5022 -10.5022 -7.2973 -7.2973 -7.2756 -7.2756 -6.4818 -6.4818 -6.4656 -6.4656 -6.3446 -6.3446 -2.5728 -2.5728 -0.9035 -0.9035 -0.5381 -0.5381 3.5096 3.5096 4.2638 4.2638 5.0663 5.0663 5.5217 5.5217 5.5756 5.5756 5.7227 5.7227 6.3323 6.3323 6.4657 6.4657 6.4920 6.4920 7.1142 7.1142 7.1692 7.1692 8.5862 8.5862 8.9082 8.9082 9.1106 9.1106 9.1746 9.1746 9.3246 9.3246 9.3536 9.3536 9.4000 9.4000 9.4266 9.4266 10.4278 10.4278 10.8268 10.8268 10.8457 10.8457 11.0170 11.0170 12.2628 12.2628 13.8220 13.8220 14.9474 14.9474 15.6345 15.6345 15.6886 15.6886 15.8416 15.8416 k = 0.5000 0.5000 0.2167 ( 4216 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0184 -12.0184 -10.8955 -10.8955 -10.5021 -10.5021 -7.2978 -7.2978 -7.2760 -7.2760 -6.4817 -6.4817 -6.4650 -6.4650 -6.3441 -6.3441 -2.5730 -2.5730 -0.9035 -0.9035 -0.5394 -0.5394 3.5061 3.5061 4.2673 4.2673 5.0856 5.0856 5.5216 5.5216 5.5748 5.5748 5.7061 5.7061 6.3314 6.3314 6.4600 6.4600 6.4854 6.4854 7.1181 7.1181 7.1748 7.1748 8.5863 8.5863 8.9291 8.9291 9.1191 9.1191 9.1838 9.1838 9.3225 9.3225 9.3534 9.3534 9.3954 9.3954 9.4233 9.4233 10.3947 10.3947 10.8260 10.8260 10.8453 10.8453 11.0167 11.0167 12.2628 12.2628 13.8221 13.8221 14.9788 14.9788 15.6459 15.6459 15.7007 15.7007 15.8718 15.8718 k = 0.5000 0.5000 0.2288 ( 4204 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0183 -12.0183 -10.8955 -10.8955 -10.5020 -10.5020 -7.2981 -7.2981 -7.2763 -7.2763 -6.4817 -6.4817 -6.4646 -6.4646 -6.3438 -6.3438 -2.5731 -2.5731 -0.9035 -0.9035 -0.5404 -0.5404 3.5036 3.5036 4.2699 4.2699 5.1004 5.1004 5.5214 5.5214 5.5741 5.5741 5.6935 5.6935 6.3309 6.3309 6.4558 6.4558 6.4807 6.4807 7.1210 7.1210 7.1788 7.1788 8.5863 8.5863 8.9448 8.9448 9.1255 9.1255 9.1909 9.1909 9.3209 9.3209 9.3532 9.3532 9.3917 9.3917 9.4208 9.4208 10.3700 10.3700 10.8256 10.8256 10.8451 10.8451 11.0164 11.0164 12.2628 12.2628 13.8221 13.8221 15.0021 15.0021 15.6545 15.6545 15.7098 15.7098 15.8951 15.8951 k = 0.5000 0.5000 0.2408 ( 4204 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0183 -12.0183 -10.8955 -10.8955 -10.5019 -10.5019 -7.2983 -7.2983 -7.2765 -7.2765 -6.4817 -6.4817 -6.4644 -6.4644 -6.3435 -6.3435 -2.5732 -2.5732 -0.9036 -0.9036 -0.5409 -0.5409 3.5021 3.5021 4.2714 4.2714 5.1098 5.1098 5.5213 5.5213 5.5736 5.5736 5.6855 5.6855 6.3305 6.3305 6.4533 6.4533 6.4779 6.4779 7.1227 7.1227 7.1812 7.1812 8.5864 8.5864 8.9546 8.9546 9.1295 9.1295 9.1953 9.1953 9.3198 9.3198 9.3530 9.3530 9.3894 9.3894 9.4193 9.4193 10.3547 10.3547 10.8253 10.8253 10.8450 10.8450 11.0162 11.0162 12.2628 12.2628 13.8221 13.8221 15.0165 15.0165 15.6599 15.6599 15.7155 15.7155 15.9098 15.9098 k = 0.5000 0.5000 0.2529 ( 4200 PWs) bands (ev): -30.6785 -30.6785 -15.4686 -15.4686 -12.0183 -12.0183 -10.8955 -10.8955 -10.5019 -10.5019 -7.2984 -7.2984 -7.2766 -7.2766 -6.4817 -6.4817 -6.4643 -6.4643 -6.3435 -6.3435 -2.5733 -2.5733 -0.9036 -0.9036 -0.5411 -0.5411 3.5016 3.5016 4.2719 4.2719 5.1130 5.1130 5.5212 5.5212 5.5734 5.5734 5.6828 5.6828 6.3304 6.3304 6.4525 6.4525 6.4770 6.4770 7.1233 7.1233 7.1820 7.1820 8.5864 8.5864 8.9579 8.9579 9.1308 9.1308 9.1969 9.1969 9.3194 9.3194 9.3530 9.3530 9.3887 9.3887 9.4188 9.4188 10.3495 10.3495 10.8252 10.8252 10.8449 10.8449 11.0162 11.0162 12.2628 12.2628 13.8221 13.8221 15.0214 15.0214 15.6617 15.6617 15.7174 15.7174 15.9149 15.9149 Writing output data file BaYFeCuO5.save init_run : 1.56s CPU 0.91s WALL ( 1 calls) electrons : 453.20s CPU 361.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 453.19s CPU 361.88s 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 : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.40s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.74s CPU 0.71s WALL ( 352 calls) cegterg : 394.96s CPU 325.88s WALL ( 398 calls) Called by sum_band: Called by *egterg: h_psi : 171.70s CPU 121.32s WALL ( 7431 calls) s_psi : 24.73s CPU 16.74s WALL ( 7431 calls) g_psi : 0.49s CPU 0.40s WALL ( 6681 calls) cdiaghg : 184.56s CPU 165.43s WALL ( 7033 calls) cegterg:over : 22.70s CPU 17.71s WALL ( 6681 calls) cegterg:upda : 18.81s CPU 15.39s WALL ( 6681 calls) cegterg:last : 7.27s CPU 6.93s WALL ( 1219 calls) cdiaghg:chol : 11.00s CPU 9.96s WALL ( 7033 calls) cdiaghg:inve : 7.73s CPU 7.11s WALL ( 7033 calls) cdiaghg:para : 14.55s CPU 13.09s WALL ( 14066 calls) Called by h_psi: h_psi:vloc : 122.92s CPU 87.22s WALL ( 7431 calls) h_psi:vnl : 48.17s CPU 33.65s WALL ( 7431 calls) add_vuspsi : 27.90s CPU 18.77s WALL ( 7431 calls) General routines calbec : 20.18s CPU 14.85s WALL ( 7431 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 112.51s CPU 79.36s WALL ( 1359856 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.40s CPU 1.53s WALL ( 704 calls) Parallel routines fft_scatter : 67.51s CPU 49.92s WALL ( 1359879 calls) PWSCF : 8m 3.16s CPU 6m45.04s WALL This run was terminated on: 15: 3:33 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=