Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 9:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrFeGe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 40 11 2198 1684 261 Max 49 41 12 2203 1703 268 Sum 1737 1447 417 79185 60957 9489 bravais-lattice index = 14 lattice parameter (alat) = 7.3850 a.u. unit-cell volume = 1276.2888 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.385049 celldm(2)= 1.671187 celldm(3)= 1.896111 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 1.671187 0.000000 ) a(3) = ( 0.000000 0.000000 1.896111 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.598377 -0.000000 ) b(3) = ( 0.000000 0.000000 0.527395 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 1.00) Fe 8.00 55.84500 Fe( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.8355937 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9480553 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.8355937 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9480553 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion 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 [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.8355937 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9480553 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.8355937 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9480553 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 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 C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0027473 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0027473 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0027473 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0027473 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0027473 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0027473 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0027473 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0027473 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0027473 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0027473 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0027473 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0027473 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0027473 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0027473 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0027473 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 44) = ( 0.5000000 0.0119675 -0.0000000), wk = 0.0027473 k( 45) = ( 0.5000000 0.0239351 -0.0000000), wk = 0.0027473 k( 46) = ( 0.5000000 0.0359026 -0.0000000), wk = 0.0027473 k( 47) = ( 0.5000000 0.0478702 -0.0000000), wk = 0.0027473 k( 48) = ( 0.5000000 0.0598377 -0.0000000), wk = 0.0027473 k( 49) = ( 0.5000000 0.0718052 -0.0000000), wk = 0.0027473 k( 50) = ( 0.5000000 0.0837728 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.0957403 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.1077079 -0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.1196754 -0.0000000), wk = 0.0027473 k( 54) = ( 0.5000000 0.1316429 -0.0000000), wk = 0.0027473 k( 55) = ( 0.5000000 0.1436105 -0.0000000), wk = 0.0027473 k( 56) = ( 0.5000000 0.1555780 -0.0000000), wk = 0.0027473 k( 57) = ( 0.5000000 0.1675456 -0.0000000), wk = 0.0027473 k( 58) = ( 0.5000000 0.1795131 -0.0000000), wk = 0.0027473 k( 59) = ( 0.5000000 0.1914806 -0.0000000), wk = 0.0027473 k( 60) = ( 0.5000000 0.2034482 -0.0000000), wk = 0.0027473 k( 61) = ( 0.5000000 0.2154157 -0.0000000), wk = 0.0027473 k( 62) = ( 0.5000000 0.2273832 -0.0000000), wk = 0.0027473 k( 63) = ( 0.5000000 0.2393508 -0.0000000), wk = 0.0027473 k( 64) = ( 0.5000000 0.2513183 -0.0000000), wk = 0.0027473 k( 65) = ( 0.5000000 0.2632859 -0.0000000), wk = 0.0027473 k( 66) = ( 0.5000000 0.2752534 -0.0000000), wk = 0.0027473 k( 67) = ( 0.5000000 0.2872209 -0.0000000), wk = 0.0027473 k( 68) = ( 0.5000000 0.2991885 -0.0000000), wk = 0.0027473 k( 69) = ( 0.5000000 0.2991885 -0.0000000), wk = 0.0027473 k( 70) = ( 0.4878049 0.2991885 -0.0000000), wk = 0.0027473 k( 71) = ( 0.4756098 0.2991885 -0.0000000), wk = 0.0027473 k( 72) = ( 0.4634146 0.2991885 -0.0000000), wk = 0.0027473 k( 73) = ( 0.4512195 0.2991885 -0.0000000), wk = 0.0027473 k( 74) = ( 0.4390244 0.2991885 -0.0000000), wk = 0.0027473 k( 75) = ( 0.4268293 0.2991885 -0.0000000), wk = 0.0027473 k( 76) = ( 0.4146341 0.2991885 -0.0000000), wk = 0.0027473 k( 77) = ( 0.4024390 0.2991885 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3902439 0.2991885 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3780488 0.2991885 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3658537 0.2991885 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3536585 0.2991885 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3414634 0.2991885 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3292683 0.2991885 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3170732 0.2991885 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3048781 0.2991885 -0.0000000), wk = 0.0027473 k( 86) = ( 0.2926829 0.2991885 -0.0000000), wk = 0.0027473 k( 87) = ( 0.2804878 0.2991885 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2682927 0.2991885 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2560976 0.2991885 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2439024 0.2991885 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2317073 0.2991885 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2195122 0.2991885 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2073171 0.2991885 -0.0000000), wk = 0.0027473 k( 94) = ( 0.1951219 0.2991885 -0.0000000), wk = 0.0027473 k( 95) = ( 0.1829268 0.2991885 -0.0000000), wk = 0.0027473 k( 96) = ( 0.1707317 0.2991885 -0.0000000), wk = 0.0027473 k( 97) = ( 0.1585366 0.2991885 -0.0000000), wk = 0.0027473 k( 98) = ( 0.1463415 0.2991885 -0.0000000), wk = 0.0027473 k( 99) = ( 0.1341463 0.2991885 -0.0000000), wk = 0.0027473 k( 100) = ( 0.1219512 0.2991885 -0.0000000), wk = 0.0027473 k( 101) = ( 0.1097561 0.2991885 -0.0000000), wk = 0.0027473 k( 102) = ( 0.0975610 0.2991885 -0.0000000), wk = 0.0027473 k( 103) = ( 0.0853658 0.2991885 -0.0000000), wk = 0.0027473 k( 104) = ( 0.0731707 0.2991885 -0.0000000), wk = 0.0027473 k( 105) = ( 0.0609756 0.2991885 -0.0000000), wk = 0.0027473 k( 106) = ( 0.0487805 0.2991885 -0.0000000), wk = 0.0027473 k( 107) = ( 0.0365854 0.2991885 -0.0000000), wk = 0.0027473 k( 108) = ( 0.0243902 0.2991885 -0.0000000), wk = 0.0027473 k( 109) = ( 0.0121951 0.2991885 -0.0000000), wk = 0.0027473 k( 110) = ( 0.0000000 0.2991885 -0.0000000), wk = 0.0027473 k( 111) = ( 0.0000000 0.2991885 -0.0000000), wk = 0.0027473 k( 112) = ( 0.0000000 0.2872209 -0.0000000), wk = 0.0027473 k( 113) = ( 0.0000000 0.2752534 -0.0000000), wk = 0.0027473 k( 114) = ( 0.0000000 0.2632859 -0.0000000), wk = 0.0027473 k( 115) = ( 0.0000000 0.2513183 -0.0000000), wk = 0.0027473 k( 116) = ( 0.0000000 0.2393508 -0.0000000), wk = 0.0027473 k( 117) = ( 0.0000000 0.2273832 -0.0000000), wk = 0.0027473 k( 118) = ( 0.0000000 0.2154157 -0.0000000), wk = 0.0027473 k( 119) = ( 0.0000000 0.2034482 -0.0000000), wk = 0.0027473 k( 120) = ( 0.0000000 0.1914806 -0.0000000), wk = 0.0027473 k( 121) = ( 0.0000000 0.1795131 -0.0000000), wk = 0.0027473 k( 122) = ( 0.0000000 0.1675456 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0000000 0.1555780 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0000000 0.1436105 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0000000 0.1316429 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0000000 0.1196754 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0000000 0.1077079 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0000000 0.0957403 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0000000 0.0837728 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0000000 0.0718052 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0000000 0.0598377 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0000000 0.0478702 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0000000 0.0359026 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0000000 0.0239351 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0000000 0.0119675 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 138) = ( 0.0000000 0.0000000 0.0119863), wk = 0.0027473 k( 139) = ( 0.0000000 0.0000000 0.0239725), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0359588), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0479450), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0599313), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0719176), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0839038), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0958901), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.1078763), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.1198626), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.1318489), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1438351), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1558214), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1678076), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1797939), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1917801), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2037664), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2157527), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2277389), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2397252), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.2517114), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.2636977), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.2636977), wk = 0.0027473 k( 161) = ( 0.0121951 -0.0000000 0.2636977), wk = 0.0027473 k( 162) = ( 0.0243902 -0.0000000 0.2636977), wk = 0.0027473 k( 163) = ( 0.0365854 -0.0000000 0.2636977), wk = 0.0027473 k( 164) = ( 0.0487805 -0.0000000 0.2636977), wk = 0.0027473 k( 165) = ( 0.0609756 -0.0000000 0.2636977), wk = 0.0027473 k( 166) = ( 0.0731707 -0.0000000 0.2636977), wk = 0.0027473 k( 167) = ( 0.0853658 -0.0000000 0.2636977), wk = 0.0027473 k( 168) = ( 0.0975610 -0.0000000 0.2636977), wk = 0.0027473 k( 169) = ( 0.1097561 -0.0000000 0.2636977), wk = 0.0027473 k( 170) = ( 0.1219512 -0.0000000 0.2636977), wk = 0.0027473 k( 171) = ( 0.1341463 -0.0000000 0.2636977), wk = 0.0027473 k( 172) = ( 0.1463415 -0.0000000 0.2636977), wk = 0.0027473 k( 173) = ( 0.1585366 -0.0000000 0.2636977), wk = 0.0027473 k( 174) = ( 0.1707317 -0.0000000 0.2636977), wk = 0.0027473 k( 175) = ( 0.1829268 -0.0000000 0.2636977), wk = 0.0027473 k( 176) = ( 0.1951219 -0.0000000 0.2636977), wk = 0.0027473 k( 177) = ( 0.2073171 -0.0000000 0.2636977), wk = 0.0027473 k( 178) = ( 0.2195122 -0.0000000 0.2636977), wk = 0.0027473 k( 179) = ( 0.2317073 -0.0000000 0.2636977), wk = 0.0027473 k( 180) = ( 0.2439024 -0.0000000 0.2636977), wk = 0.0027473 k( 181) = ( 0.2560976 -0.0000000 0.2636977), wk = 0.0027473 k( 182) = ( 0.2682927 -0.0000000 0.2636977), wk = 0.0027473 k( 183) = ( 0.2804878 -0.0000000 0.2636977), wk = 0.0027473 k( 184) = ( 0.2926829 -0.0000000 0.2636977), wk = 0.0027473 k( 185) = ( 0.3048781 -0.0000000 0.2636977), wk = 0.0027473 k( 186) = ( 0.3170732 -0.0000000 0.2636977), wk = 0.0027473 k( 187) = ( 0.3292683 -0.0000000 0.2636977), wk = 0.0027473 k( 188) = ( 0.3414634 -0.0000000 0.2636977), wk = 0.0027473 k( 189) = ( 0.3536585 -0.0000000 0.2636977), wk = 0.0027473 k( 190) = ( 0.3658537 -0.0000000 0.2636977), wk = 0.0027473 k( 191) = ( 0.3780488 -0.0000000 0.2636977), wk = 0.0027473 k( 192) = ( 0.3902439 -0.0000000 0.2636977), wk = 0.0027473 k( 193) = ( 0.4024390 -0.0000000 0.2636977), wk = 0.0027473 k( 194) = ( 0.4146341 -0.0000000 0.2636977), wk = 0.0027473 k( 195) = ( 0.4268293 -0.0000000 0.2636977), wk = 0.0027473 k( 196) = ( 0.4390244 -0.0000000 0.2636977), wk = 0.0027473 k( 197) = ( 0.4512195 -0.0000000 0.2636977), wk = 0.0027473 k( 198) = ( 0.4634146 -0.0000000 0.2636977), wk = 0.0027473 k( 199) = ( 0.4756098 -0.0000000 0.2636977), wk = 0.0027473 k( 200) = ( 0.4878049 -0.0000000 0.2636977), wk = 0.0027473 k( 201) = ( 0.5000000 -0.0000000 0.2636977), wk = 0.0027473 k( 202) = ( 0.5000000 -0.0000000 0.2636977), wk = 0.0027473 k( 203) = ( 0.5000000 0.0119675 0.2636977), wk = 0.0027473 k( 204) = ( 0.5000000 0.0239351 0.2636977), wk = 0.0027473 k( 205) = ( 0.5000000 0.0359026 0.2636977), wk = 0.0027473 k( 206) = ( 0.5000000 0.0478702 0.2636977), wk = 0.0027473 k( 207) = ( 0.5000000 0.0598377 0.2636977), wk = 0.0027473 k( 208) = ( 0.5000000 0.0718052 0.2636977), wk = 0.0027473 k( 209) = ( 0.5000000 0.0837728 0.2636977), wk = 0.0027473 k( 210) = ( 0.5000000 0.0957403 0.2636977), wk = 0.0027473 k( 211) = ( 0.5000000 0.1077079 0.2636977), wk = 0.0027473 k( 212) = ( 0.5000000 0.1196754 0.2636977), wk = 0.0027473 k( 213) = ( 0.5000000 0.1316429 0.2636977), wk = 0.0027473 k( 214) = ( 0.5000000 0.1436105 0.2636977), wk = 0.0027473 k( 215) = ( 0.5000000 0.1555780 0.2636977), wk = 0.0027473 k( 216) = ( 0.5000000 0.1675456 0.2636977), wk = 0.0027473 k( 217) = ( 0.5000000 0.1795131 0.2636977), wk = 0.0027473 k( 218) = ( 0.5000000 0.1914806 0.2636977), wk = 0.0027473 k( 219) = ( 0.5000000 0.2034482 0.2636977), wk = 0.0027473 k( 220) = ( 0.5000000 0.2154157 0.2636977), wk = 0.0027473 k( 221) = ( 0.5000000 0.2273832 0.2636977), wk = 0.0027473 k( 222) = ( 0.5000000 0.2393508 0.2636977), wk = 0.0027473 k( 223) = ( 0.5000000 0.2513183 0.2636977), wk = 0.0027473 k( 224) = ( 0.5000000 0.2632859 0.2636977), wk = 0.0027473 k( 225) = ( 0.5000000 0.2752534 0.2636977), wk = 0.0027473 k( 226) = ( 0.5000000 0.2872209 0.2636977), wk = 0.0027473 k( 227) = ( 0.5000000 0.2991885 0.2636977), wk = 0.0027473 k( 228) = ( 0.5000000 0.2991885 0.2636977), wk = 0.0027473 k( 229) = ( 0.4878049 0.2991885 0.2636977), wk = 0.0027473 k( 230) = ( 0.4756098 0.2991885 0.2636977), wk = 0.0027473 k( 231) = ( 0.4634146 0.2991885 0.2636977), wk = 0.0027473 k( 232) = ( 0.4512195 0.2991885 0.2636977), wk = 0.0027473 k( 233) = ( 0.4390244 0.2991885 0.2636977), wk = 0.0027473 k( 234) = ( 0.4268293 0.2991885 0.2636977), wk = 0.0027473 k( 235) = ( 0.4146341 0.2991885 0.2636977), wk = 0.0027473 k( 236) = ( 0.4024390 0.2991885 0.2636977), wk = 0.0027473 k( 237) = ( 0.3902439 0.2991885 0.2636977), wk = 0.0027473 k( 238) = ( 0.3780488 0.2991885 0.2636977), wk = 0.0027473 k( 239) = ( 0.3658537 0.2991885 0.2636977), wk = 0.0027473 k( 240) = ( 0.3536585 0.2991885 0.2636977), wk = 0.0027473 k( 241) = ( 0.3414634 0.2991885 0.2636977), wk = 0.0027473 k( 242) = ( 0.3292683 0.2991885 0.2636977), wk = 0.0027473 k( 243) = ( 0.3170732 0.2991885 0.2636977), wk = 0.0027473 k( 244) = ( 0.3048781 0.2991885 0.2636977), wk = 0.0027473 k( 245) = ( 0.2926829 0.2991885 0.2636977), wk = 0.0027473 k( 246) = ( 0.2804878 0.2991885 0.2636977), wk = 0.0027473 k( 247) = ( 0.2682927 0.2991885 0.2636977), wk = 0.0027473 k( 248) = ( 0.2560976 0.2991885 0.2636977), wk = 0.0027473 k( 249) = ( 0.2439024 0.2991885 0.2636977), wk = 0.0027473 k( 250) = ( 0.2317073 0.2991885 0.2636977), wk = 0.0027473 k( 251) = ( 0.2195122 0.2991885 0.2636977), wk = 0.0027473 k( 252) = ( 0.2073171 0.2991885 0.2636977), wk = 0.0027473 k( 253) = ( 0.1951219 0.2991885 0.2636977), wk = 0.0027473 k( 254) = ( 0.1829268 0.2991885 0.2636977), wk = 0.0027473 k( 255) = ( 0.1707317 0.2991885 0.2636977), wk = 0.0027473 k( 256) = ( 0.1585366 0.2991885 0.2636977), wk = 0.0027473 k( 257) = ( 0.1463415 0.2991885 0.2636977), wk = 0.0027473 k( 258) = ( 0.1341463 0.2991885 0.2636977), wk = 0.0027473 k( 259) = ( 0.1219512 0.2991885 0.2636977), wk = 0.0027473 k( 260) = ( 0.1097561 0.2991885 0.2636977), wk = 0.0027473 k( 261) = ( 0.0975610 0.2991885 0.2636977), wk = 0.0027473 k( 262) = ( 0.0853658 0.2991885 0.2636977), wk = 0.0027473 k( 263) = ( 0.0731707 0.2991885 0.2636977), wk = 0.0027473 k( 264) = ( 0.0609756 0.2991885 0.2636977), wk = 0.0027473 k( 265) = ( 0.0487805 0.2991885 0.2636977), wk = 0.0027473 k( 266) = ( 0.0365854 0.2991885 0.2636977), wk = 0.0027473 k( 267) = ( 0.0243902 0.2991885 0.2636977), wk = 0.0027473 k( 268) = ( 0.0121951 0.2991885 0.2636977), wk = 0.0027473 k( 269) = ( 0.0000000 0.2991885 0.2636977), wk = 0.0027473 k( 270) = ( 0.0000000 0.2991885 0.2636977), wk = 0.0027473 k( 271) = ( 0.0000000 0.2872209 0.2636977), wk = 0.0027473 k( 272) = ( 0.0000000 0.2752534 0.2636977), wk = 0.0027473 k( 273) = ( 0.0000000 0.2632859 0.2636977), wk = 0.0027473 k( 274) = ( 0.0000000 0.2513183 0.2636977), wk = 0.0027473 k( 275) = ( 0.0000000 0.2393508 0.2636977), wk = 0.0027473 k( 276) = ( 0.0000000 0.2273832 0.2636977), wk = 0.0027473 k( 277) = ( 0.0000000 0.2154157 0.2636977), wk = 0.0027473 k( 278) = ( 0.0000000 0.2034482 0.2636977), wk = 0.0027473 k( 279) = ( 0.0000000 0.1914806 0.2636977), wk = 0.0027473 k( 280) = ( 0.0000000 0.1795131 0.2636977), wk = 0.0027473 k( 281) = ( 0.0000000 0.1675456 0.2636977), wk = 0.0027473 k( 282) = ( 0.0000000 0.1555780 0.2636977), wk = 0.0027473 k( 283) = ( 0.0000000 0.1436105 0.2636977), wk = 0.0027473 k( 284) = ( 0.0000000 0.1316429 0.2636977), wk = 0.0027473 k( 285) = ( 0.0000000 0.1196754 0.2636977), wk = 0.0027473 k( 286) = ( 0.0000000 0.1077079 0.2636977), wk = 0.0027473 k( 287) = ( 0.0000000 0.0957403 0.2636977), wk = 0.0027473 k( 288) = ( 0.0000000 0.0837728 0.2636977), wk = 0.0027473 k( 289) = ( 0.0000000 0.0718052 0.2636977), wk = 0.0027473 k( 290) = ( 0.0000000 0.0598377 0.2636977), wk = 0.0027473 k( 291) = ( 0.0000000 0.0478702 0.2636977), wk = 0.0027473 k( 292) = ( 0.0000000 0.0359026 0.2636977), wk = 0.0027473 k( 293) = ( 0.0000000 0.0239351 0.2636977), wk = 0.0027473 k( 294) = ( 0.0000000 0.0119675 0.2636977), wk = 0.0027473 k( 295) = ( 0.0000000 0.0000000 0.2636977), wk = 0.0027473 k( 296) = ( 0.0000000 0.2991885 -0.0000000), wk = 0.0027473 k( 297) = ( 0.0000000 0.2991885 0.0119863), wk = 0.0027473 k( 298) = ( 0.0000000 0.2991885 0.0239725), wk = 0.0027473 k( 299) = ( 0.0000000 0.2991885 0.0359588), wk = 0.0027473 k( 300) = ( 0.0000000 0.2991885 0.0479450), wk = 0.0027473 k( 301) = ( 0.0000000 0.2991885 0.0599313), wk = 0.0027473 k( 302) = ( 0.0000000 0.2991885 0.0719176), wk = 0.0027473 k( 303) = ( 0.0000000 0.2991885 0.0839038), wk = 0.0027473 k( 304) = ( 0.0000000 0.2991885 0.0958901), wk = 0.0027473 k( 305) = ( 0.0000000 0.2991885 0.1078763), wk = 0.0027473 k( 306) = ( 0.0000000 0.2991885 0.1198626), wk = 0.0027473 k( 307) = ( 0.0000000 0.2991885 0.1318489), wk = 0.0027473 k( 308) = ( 0.0000000 0.2991885 0.1438351), wk = 0.0027473 k( 309) = ( 0.0000000 0.2991885 0.1558214), wk = 0.0027473 k( 310) = ( 0.0000000 0.2991885 0.1678076), wk = 0.0027473 k( 311) = ( 0.0000000 0.2991885 0.1797939), wk = 0.0027473 k( 312) = ( 0.0000000 0.2991885 0.1917801), wk = 0.0027473 k( 313) = ( 0.0000000 0.2991885 0.2037664), wk = 0.0027473 k( 314) = ( 0.0000000 0.2991885 0.2157527), wk = 0.0027473 k( 315) = ( 0.0000000 0.2991885 0.2277389), wk = 0.0027473 k( 316) = ( 0.0000000 0.2991885 0.2397252), wk = 0.0027473 k( 317) = ( 0.0000000 0.2991885 0.2517114), wk = 0.0027473 k( 318) = ( 0.0000000 0.2991885 0.2636977), wk = 0.0027473 k( 319) = ( 0.5000000 -0.0000000 0.2636977), wk = 0.0027473 k( 320) = ( 0.5000000 -0.0000000 0.2517114), wk = 0.0027473 k( 321) = ( 0.5000000 -0.0000000 0.2397252), wk = 0.0027473 k( 322) = ( 0.5000000 -0.0000000 0.2277389), wk = 0.0027473 k( 323) = ( 0.5000000 -0.0000000 0.2157527), wk = 0.0027473 k( 324) = ( 0.5000000 -0.0000000 0.2037664), wk = 0.0027473 k( 325) = ( 0.5000000 -0.0000000 0.1917801), wk = 0.0027473 k( 326) = ( 0.5000000 -0.0000000 0.1797939), wk = 0.0027473 k( 327) = ( 0.5000000 -0.0000000 0.1678076), wk = 0.0027473 k( 328) = ( 0.5000000 -0.0000000 0.1558214), wk = 0.0027473 k( 329) = ( 0.5000000 -0.0000000 0.1438351), wk = 0.0027473 k( 330) = ( 0.5000000 -0.0000000 0.1318489), wk = 0.0027473 k( 331) = ( 0.5000000 -0.0000000 0.1198626), wk = 0.0027473 k( 332) = ( 0.5000000 -0.0000000 0.1078763), wk = 0.0027473 k( 333) = ( 0.5000000 -0.0000000 0.0958901), wk = 0.0027473 k( 334) = ( 0.5000000 -0.0000000 0.0839038), wk = 0.0027473 k( 335) = ( 0.5000000 -0.0000000 0.0719176), wk = 0.0027473 k( 336) = ( 0.5000000 -0.0000000 0.0599313), wk = 0.0027473 k( 337) = ( 0.5000000 -0.0000000 0.0479450), wk = 0.0027473 k( 338) = ( 0.5000000 -0.0000000 0.0359588), wk = 0.0027473 k( 339) = ( 0.5000000 -0.0000000 0.0239725), wk = 0.0027473 k( 340) = ( 0.5000000 -0.0000000 0.0119863), wk = 0.0027473 k( 341) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 342) = ( 0.5000000 0.2991885 -0.0000000), wk = 0.0027473 k( 343) = ( 0.5000000 0.2991885 0.0119863), wk = 0.0027473 k( 344) = ( 0.5000000 0.2991885 0.0239725), wk = 0.0027473 k( 345) = ( 0.5000000 0.2991885 0.0359588), wk = 0.0027473 k( 346) = ( 0.5000000 0.2991885 0.0479450), wk = 0.0027473 k( 347) = ( 0.5000000 0.2991885 0.0599313), wk = 0.0027473 k( 348) = ( 0.5000000 0.2991885 0.0719176), wk = 0.0027473 k( 349) = ( 0.5000000 0.2991885 0.0839038), wk = 0.0027473 k( 350) = ( 0.5000000 0.2991885 0.0958901), wk = 0.0027473 k( 351) = ( 0.5000000 0.2991885 0.1078763), wk = 0.0027473 k( 352) = ( 0.5000000 0.2991885 0.1198626), wk = 0.0027473 k( 353) = ( 0.5000000 0.2991885 0.1318489), wk = 0.0027473 k( 354) = ( 0.5000000 0.2991885 0.1438351), wk = 0.0027473 k( 355) = ( 0.5000000 0.2991885 0.1558214), wk = 0.0027473 k( 356) = ( 0.5000000 0.2991885 0.1678076), wk = 0.0027473 k( 357) = ( 0.5000000 0.2991885 0.1797939), wk = 0.0027473 k( 358) = ( 0.5000000 0.2991885 0.1917801), wk = 0.0027473 k( 359) = ( 0.5000000 0.2991885 0.2037664), wk = 0.0027473 k( 360) = ( 0.5000000 0.2991885 0.2157527), wk = 0.0027473 k( 361) = ( 0.5000000 0.2991885 0.2277389), wk = 0.0027473 k( 362) = ( 0.5000000 0.2991885 0.2397252), wk = 0.0027473 k( 363) = ( 0.5000000 0.2991885 0.2517114), wk = 0.0027473 k( 364) = ( 0.5000000 0.2991885 0.2636977), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0609756 0.0000000 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0027473 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0027473 k( 11) = ( 0.1219512 0.0000000 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1707317 -0.0000000 0.0000000), wk = 0.0027473 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0027473 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0027473 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0027473 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2439024 0.0000000 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0027473 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0027473 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0027473 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0027473 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0027473 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0027473 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0027473 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0027473 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0027473 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0027473 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4878049 0.0000000 -0.0000000), wk = 0.0027473 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027473 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027473 k( 44) = ( 0.5000000 0.0200000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.5000000 0.0400000 -0.0000000), wk = 0.0027473 k( 46) = ( 0.5000000 0.0600000 0.0000000), wk = 0.0027473 k( 47) = ( 0.5000000 0.0800000 -0.0000000), wk = 0.0027473 k( 48) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0027473 k( 49) = ( 0.5000000 0.1200000 0.0000000), wk = 0.0027473 k( 50) = ( 0.5000000 0.1400000 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.1600000 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.1800000 -0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0027473 k( 54) = ( 0.5000000 0.2200000 -0.0000000), wk = 0.0027473 k( 55) = ( 0.5000000 0.2400000 -0.0000000), wk = 0.0027473 k( 56) = ( 0.5000000 0.2600000 0.0000000), wk = 0.0027473 k( 57) = ( 0.5000000 0.2800000 0.0000000), wk = 0.0027473 k( 58) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0027473 k( 59) = ( 0.5000000 0.3200000 -0.0000000), wk = 0.0027473 k( 60) = ( 0.5000000 0.3400000 0.0000000), wk = 0.0027473 k( 61) = ( 0.5000000 0.3600000 -0.0000000), wk = 0.0027473 k( 62) = ( 0.5000000 0.3800000 -0.0000000), wk = 0.0027473 k( 63) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0027473 k( 64) = ( 0.5000000 0.4200000 0.0000000), wk = 0.0027473 k( 65) = ( 0.5000000 0.4400000 -0.0000000), wk = 0.0027473 k( 66) = ( 0.5000000 0.4600000 0.0000000), wk = 0.0027473 k( 67) = ( 0.5000000 0.4800000 -0.0000000), wk = 0.0027473 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 70) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0027473 k( 71) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0027473 k( 72) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027473 k( 73) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027473 k( 74) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0027473 k( 75) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0027473 k( 76) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0027473 k( 77) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0027473 k( 78) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0027473 k( 80) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0027473 k( 81) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0027473 k( 82) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0027473 k( 83) = ( 0.3292683 0.5000000 0.0000000), wk = 0.0027473 k( 84) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027473 k( 86) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0027473 k( 87) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0027473 k( 89) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0027473 k( 90) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0027473 k( 91) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0027473 k( 92) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0027473 k( 93) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0027473 k( 94) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0027473 k( 95) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0027473 k( 96) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0027473 k( 97) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0027473 k( 98) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0027473 k( 99) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0027473 k( 100) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0027473 k( 101) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0027473 k( 102) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0027473 k( 103) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0027473 k( 104) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0027473 k( 105) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0027473 k( 106) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0027473 k( 107) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0027473 k( 108) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0027473 k( 109) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0027473 k( 110) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 112) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0027473 k( 113) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0027473 k( 114) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0027473 k( 115) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0027473 k( 116) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0027473 k( 117) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0027473 k( 118) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0027473 k( 119) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0027473 k( 120) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0027473 k( 121) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027473 k( 122) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0027473 k( 123) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0027473 k( 124) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0027473 k( 126) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0027473 k( 127) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0027473 k( 128) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0027473 k( 129) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0027473 k( 130) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0027473 k( 132) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0027473 k( 133) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0027473 k( 135) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0027473 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 138) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0027473 k( 139) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 161) = ( 0.0121951 -0.0000000 0.5000000), wk = 0.0027473 k( 162) = ( 0.0243902 -0.0000000 0.5000000), wk = 0.0027473 k( 163) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0027473 k( 164) = ( 0.0487805 -0.0000000 0.5000000), wk = 0.0027473 k( 165) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0027473 k( 166) = ( 0.0731707 -0.0000000 0.5000000), wk = 0.0027473 k( 167) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0027473 k( 168) = ( 0.0975610 -0.0000000 0.5000000), wk = 0.0027473 k( 169) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.1463415 -0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.3170732 -0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.4024390 -0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.4390244 -0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.5000000 0.0200000 0.5000000), wk = 0.0027473 k( 204) = ( 0.5000000 0.0400000 0.5000000), wk = 0.0027473 k( 205) = ( 0.5000000 0.0600000 0.5000000), wk = 0.0027473 k( 206) = ( 0.5000000 0.0800000 0.5000000), wk = 0.0027473 k( 207) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.5000000 0.1200000 0.5000000), wk = 0.0027473 k( 209) = ( 0.5000000 0.1400000 0.5000000), wk = 0.0027473 k( 210) = ( 0.5000000 0.1600000 0.5000000), wk = 0.0027473 k( 211) = ( 0.5000000 0.1800000 0.5000000), wk = 0.0027473 k( 212) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.5000000 0.2200000 0.5000000), wk = 0.0027473 k( 214) = ( 0.5000000 0.2400000 0.5000000), wk = 0.0027473 k( 215) = ( 0.5000000 0.2600000 0.5000000), wk = 0.0027473 k( 216) = ( 0.5000000 0.2800000 0.5000000), wk = 0.0027473 k( 217) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.5000000 0.3200000 0.5000000), wk = 0.0027473 k( 219) = ( 0.5000000 0.3400000 0.5000000), wk = 0.0027473 k( 220) = ( 0.5000000 0.3600000 0.5000000), wk = 0.0027473 k( 221) = ( 0.5000000 0.3800000 0.5000000), wk = 0.0027473 k( 222) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0027473 k( 223) = ( 0.5000000 0.4200000 0.5000000), wk = 0.0027473 k( 224) = ( 0.5000000 0.4400000 0.5000000), wk = 0.0027473 k( 225) = ( 0.5000000 0.4600000 0.5000000), wk = 0.0027473 k( 226) = ( 0.5000000 0.4800000 0.5000000), wk = 0.0027473 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 228) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 229) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0027473 k( 230) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0027473 k( 231) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0027473 k( 232) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0027473 k( 233) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0027473 k( 234) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0027473 k( 235) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0027473 k( 236) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0027473 k( 237) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0027473 k( 238) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0027473 k( 239) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0027473 k( 240) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0027473 k( 241) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0027473 k( 242) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0027473 k( 243) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0027473 k( 244) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0027473 k( 245) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0027473 k( 246) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0027473 k( 247) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0027473 k( 248) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0027473 k( 249) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0027473 k( 250) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0027473 k( 251) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0027473 k( 252) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0027473 k( 253) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0027473 k( 254) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0027473 k( 255) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0027473 k( 256) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0027473 k( 257) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0027473 k( 258) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0027473 k( 259) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0027473 k( 260) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0027473 k( 261) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0027473 k( 262) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0027473 k( 263) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0027473 k( 264) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0027473 k( 265) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0027473 k( 266) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0027473 k( 267) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0027473 k( 268) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0027473 k( 269) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 271) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0027473 k( 272) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0027473 k( 273) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0027473 k( 274) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0027473 k( 275) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027473 k( 276) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0027473 k( 277) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0027473 k( 278) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0027473 k( 279) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0027473 k( 280) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027473 k( 281) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0027473 k( 282) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0027473 k( 283) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0027473 k( 284) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0027473 k( 285) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027473 k( 286) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0027473 k( 287) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0027473 k( 288) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0027473 k( 289) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0027473 k( 290) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027473 k( 291) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0027473 k( 292) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0027473 k( 293) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0027473 k( 294) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0027473 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 296) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 297) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0027473 k( 298) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0027473 k( 299) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0027473 k( 300) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027473 k( 301) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0027473 k( 302) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027473 k( 303) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0027473 k( 304) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027473 k( 305) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0027473 k( 306) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027473 k( 307) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027473 k( 308) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027473 k( 309) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0027473 k( 310) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027473 k( 311) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0027473 k( 312) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027473 k( 313) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0027473 k( 314) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027473 k( 315) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0027473 k( 316) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0027473 k( 317) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0027473 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 320) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0027473 k( 321) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0027473 k( 322) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0027473 k( 323) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0027473 k( 324) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0027473 k( 325) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0027473 k( 326) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0027473 k( 327) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0027473 k( 328) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0027473 k( 329) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0027473 k( 330) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027473 k( 331) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0027473 k( 332) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0027473 k( 333) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0027473 k( 334) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0027473 k( 335) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0027473 k( 336) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0027473 k( 337) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0027473 k( 338) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0027473 k( 339) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0027473 k( 340) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0027473 k( 341) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027473 k( 342) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 343) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0027473 k( 344) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0027473 k( 345) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0027473 k( 346) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0027473 k( 347) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0027473 k( 348) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0027473 k( 349) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0027473 k( 350) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0027473 k( 351) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0027473 k( 352) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0027473 k( 353) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027473 k( 354) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0027473 k( 355) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0027473 k( 356) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0027473 k( 357) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0027473 k( 358) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0027473 k( 359) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0027473 k( 360) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0027473 k( 361) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0027473 k( 362) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0027473 k( 363) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0027473 k( 364) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 Dense grid: 79185 G-vectors FFT dimensions: ( 40, 64, 72) Smooth grid: 60957 G-vectors FFT dimensions: ( 36, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 448, 76) NL pseudopotentials 0.88 Mb ( 224, 256) Each V/rho on FFT grid 0.08 Mb ( 5120) Each G-vector array 0.02 Mb ( 2200) G-vector shells 0.01 Mb ( 1105) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.08 Mb ( 448, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.59 Mb ( 256, 2, 76) The potential is recalculated from file : ./ZrFeGe.save/charge-density.dat Starting wfc are 176 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 14.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.2 secs Computing kpt #: 10 total cpu time spent up to now is 18.0 secs Computing kpt #: 11 total cpu time spent up to now is 19.8 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 total cpu time spent up to now is 23.8 secs Computing kpt #: 14 total cpu time spent up to now is 26.1 secs Computing kpt #: 15 total cpu time spent up to now is 28.5 secs Computing kpt #: 16 total cpu time spent up to now is 31.1 secs Computing kpt #: 17 total cpu time spent up to now is 33.7 secs Computing kpt #: 18 total cpu time spent up to now is 36.3 secs Computing kpt #: 19 total cpu time spent up to now is 38.8 secs Computing kpt #: 20 total cpu time spent up to now is 41.4 secs Computing kpt #: 21 total cpu time spent up to now is 44.0 secs Computing kpt #: 22 total cpu time spent up to now is 46.6 secs Computing kpt #: 23 total cpu time spent up to now is 49.1 secs Computing kpt #: 24 total cpu time spent up to now is 52.3 secs Computing kpt #: 25 total cpu time spent up to now is 54.9 secs Computing kpt #: 26 total cpu time spent up to now is 57.2 secs Computing kpt #: 27 total cpu time spent up to now is 59.6 secs Computing kpt #: 28 total cpu time spent up to now is 61.9 secs Computing kpt #: 29 total cpu time spent up to now is 64.1 secs Computing kpt #: 30 total cpu time spent up to now is 66.4 secs Computing kpt #: 31 total cpu time spent up to now is 68.7 secs Computing kpt #: 32 total cpu time spent up to now is 70.9 secs Computing kpt #: 33 total cpu time spent up to now is 73.1 secs Computing kpt #: 34 total cpu time spent up to now is 75.3 secs Computing kpt #: 35 total cpu time spent up to now is 77.5 secs Computing kpt #: 36 total cpu time spent up to now is 79.9 secs Computing kpt #: 37 total cpu time spent up to now is 82.7 secs Computing kpt #: 38 total cpu time spent up to now is 85.5 secs Computing kpt #: 39 total cpu time spent up to now is 88.5 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.5 secs Computing kpt #: 42 total cpu time spent up to now is 98.4 secs Computing kpt #: 43 total cpu time spent up to now is 101.0 secs Computing kpt #: 44 total cpu time spent up to now is 104.1 secs Computing kpt #: 45 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 107.9 secs Computing kpt #: 46 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 111.6 secs Computing kpt #: 47 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 115.4 secs Computing kpt #: 48 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 119.2 secs Computing kpt #: 49 total cpu time spent up to now is 122.7 secs Computing kpt #: 50 total cpu time spent up to now is 126.1 secs Computing kpt #: 51 total cpu time spent up to now is 129.1 secs Computing kpt #: 52 total cpu time spent up to now is 131.3 secs Computing kpt #: 53 total cpu time spent up to now is 133.4 secs Computing kpt #: 54 total cpu time spent up to now is 135.5 secs Computing kpt #: 55 total cpu time spent up to now is 137.6 secs Computing kpt #: 56 total cpu time spent up to now is 139.7 secs Computing kpt #: 57 total cpu time spent up to now is 141.8 secs Computing kpt #: 58 total cpu time spent up to now is 143.8 secs Computing kpt #: 59 total cpu time spent up to now is 145.8 secs Computing kpt #: 60 total cpu time spent up to now is 148.3 secs Computing kpt #: 61 total cpu time spent up to now is 150.7 secs Computing kpt #: 62 total cpu time spent up to now is 152.8 secs Computing kpt #: 63 total cpu time spent up to now is 155.2 secs Computing kpt #: 64 total cpu time spent up to now is 158.2 secs Computing kpt #: 65 total cpu time spent up to now is 161.6 secs Computing kpt #: 66 total cpu time spent up to now is 164.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.5 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.1 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.6 secs Computing kpt #: 70 total cpu time spent up to now is 179.1 secs Computing kpt #: 71 total cpu time spent up to now is 181.3 secs Computing kpt #: 72 total cpu time spent up to now is 183.5 secs Computing kpt #: 73 total cpu time spent up to now is 185.7 secs Computing kpt #: 74 total cpu time spent up to now is 187.8 secs Computing kpt #: 75 total cpu time spent up to now is 189.9 secs Computing kpt #: 76 total cpu time spent up to now is 191.8 secs Computing kpt #: 77 total cpu time spent up to now is 193.7 secs Computing kpt #: 78 total cpu time spent up to now is 195.5 secs Computing kpt #: 79 total cpu time spent up to now is 197.4 secs Computing kpt #: 80 total cpu time spent up to now is 199.1 secs Computing kpt #: 81 total cpu time spent up to now is 200.9 secs Computing kpt #: 82 total cpu time spent up to now is 202.7 secs Computing kpt #: 83 total cpu time spent up to now is 204.3 secs Computing kpt #: 84 total cpu time spent up to now is 205.9 secs Computing kpt #: 85 total cpu time spent up to now is 207.4 secs Computing kpt #: 86 total cpu time spent up to now is 209.0 secs Computing kpt #: 87 total cpu time spent up to now is 210.5 secs Computing kpt #: 88 total cpu time spent up to now is 212.1 secs Computing kpt #: 89 total cpu time spent up to now is 213.6 secs Computing kpt #: 90 total cpu time spent up to now is 215.2 secs Computing kpt #: 91 total cpu time spent up to now is 216.8 secs Computing kpt #: 92 total cpu time spent up to now is 218.5 secs Computing kpt #: 93 total cpu time spent up to now is 220.2 secs Computing kpt #: 94 total cpu time spent up to now is 222.0 secs Computing kpt #: 95 total cpu time spent up to now is 223.8 secs Computing kpt #: 96 total cpu time spent up to now is 225.5 secs Computing kpt #: 97 total cpu time spent up to now is 227.3 secs Computing kpt #: 98 total cpu time spent up to now is 229.1 secs Computing kpt #: 99 total cpu time spent up to now is 230.9 secs Computing kpt #: 100 total cpu time spent up to now is 232.7 secs Computing kpt #: 101 total cpu time spent up to now is 234.6 secs Computing kpt #: 102 total cpu time spent up to now is 236.4 secs Computing kpt #: 103 total cpu time spent up to now is 238.3 secs Computing kpt #: 104 total cpu time spent up to now is 240.2 secs Computing kpt #: 105 total cpu time spent up to now is 242.2 secs Computing kpt #: 106 total cpu time spent up to now is 244.2 secs Computing kpt #: 107 total cpu time spent up to now is 246.2 secs Computing kpt #: 108 total cpu time spent up to now is 248.2 secs Computing kpt #: 109 total cpu time spent up to now is 250.1 secs Computing kpt #: 110 total cpu time spent up to now is 252.1 secs Computing kpt #: 111 total cpu time spent up to now is 254.1 secs Computing kpt #: 112 total cpu time spent up to now is 256.1 secs Computing kpt #: 113 total cpu time spent up to now is 258.1 secs Computing kpt #: 114 total cpu time spent up to now is 260.1 secs Computing kpt #: 115 total cpu time spent up to now is 262.1 secs Computing kpt #: 116 total cpu time spent up to now is 264.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.6 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.9 secs Computing kpt #: 119 total cpu time spent up to now is 273.0 secs Computing kpt #: 120 total cpu time spent up to now is 275.3 secs Computing kpt #: 121 total cpu time spent up to now is 278.4 secs Computing kpt #: 122 total cpu time spent up to now is 280.4 secs Computing kpt #: 123 total cpu time spent up to now is 282.0 secs Computing kpt #: 124 total cpu time spent up to now is 283.6 secs Computing kpt #: 125 total cpu time spent up to now is 285.3 secs Computing kpt #: 126 total cpu time spent up to now is 286.8 secs Computing kpt #: 127 total cpu time spent up to now is 288.4 secs Computing kpt #: 128 total cpu time spent up to now is 289.9 secs Computing kpt #: 129 total cpu time spent up to now is 291.4 secs Computing kpt #: 130 total cpu time spent up to now is 293.0 secs Computing kpt #: 131 total cpu time spent up to now is 294.7 secs Computing kpt #: 132 total cpu time spent up to now is 296.3 secs Computing kpt #: 133 total cpu time spent up to now is 298.0 secs Computing kpt #: 134 total cpu time spent up to now is 299.7 secs Computing kpt #: 135 total cpu time spent up to now is 301.2 secs Computing kpt #: 136 total cpu time spent up to now is 302.7 secs Computing kpt #: 137 total cpu time spent up to now is 304.3 secs Computing kpt #: 138 total cpu time spent up to now is 305.8 secs Computing kpt #: 139 total cpu time spent up to now is 307.2 secs Computing kpt #: 140 total cpu time spent up to now is 308.7 secs Computing kpt #: 141 total cpu time spent up to now is 310.3 secs Computing kpt #: 142 total cpu time spent up to now is 311.8 secs Computing kpt #: 143 total cpu time spent up to now is 313.4 secs Computing kpt #: 144 total cpu time spent up to now is 314.9 secs Computing kpt #: 145 total cpu time spent up to now is 316.6 secs Computing kpt #: 146 total cpu time spent up to now is 318.2 secs Computing kpt #: 147 total cpu time spent up to now is 319.9 secs Computing kpt #: 148 total cpu time spent up to now is 321.9 secs Computing kpt #: 149 total cpu time spent up to now is 324.6 secs Computing kpt #: 150 total cpu time spent up to now is 327.0 secs Computing kpt #: 151 total cpu time spent up to now is 328.8 secs Computing kpt #: 152 total cpu time spent up to now is 330.8 secs Computing kpt #: 153 total cpu time spent up to now is 332.4 secs Computing kpt #: 154 total cpu time spent up to now is 333.9 secs Computing kpt #: 155 total cpu time spent up to now is 335.4 secs Computing kpt #: 156 total cpu time spent up to now is 336.9 secs Computing kpt #: 157 total cpu time spent up to now is 338.4 secs Computing kpt #: 158 total cpu time spent up to now is 340.0 secs Computing kpt #: 159 total cpu time spent up to now is 341.5 secs Computing kpt #: 160 total cpu time spent up to now is 343.0 secs Computing kpt #: 161 total cpu time spent up to now is 344.6 secs Computing kpt #: 162 total cpu time spent up to now is 346.1 secs Computing kpt #: 163 total cpu time spent up to now is 347.7 secs Computing kpt #: 164 total cpu time spent up to now is 349.2 secs Computing kpt #: 165 total cpu time spent up to now is 350.8 secs Computing kpt #: 166 total cpu time spent up to now is 352.3 secs Computing kpt #: 167 total cpu time spent up to now is 353.9 secs Computing kpt #: 168 total cpu time spent up to now is 355.5 secs Computing kpt #: 169 total cpu time spent up to now is 357.0 secs Computing kpt #: 170 total cpu time spent up to now is 358.5 secs Computing kpt #: 171 total cpu time spent up to now is 360.0 secs Computing kpt #: 172 total cpu time spent up to now is 361.5 secs Computing kpt #: 173 total cpu time spent up to now is 363.1 secs Computing kpt #: 174 total cpu time spent up to now is 364.6 secs Computing kpt #: 175 total cpu time spent up to now is 366.1 secs Computing kpt #: 176 total cpu time spent up to now is 367.7 secs Computing kpt #: 177 total cpu time spent up to now is 369.2 secs Computing kpt #: 178 total cpu time spent up to now is 370.8 secs Computing kpt #: 179 total cpu time spent up to now is 372.4 secs Computing kpt #: 180 total cpu time spent up to now is 374.1 secs Computing kpt #: 181 total cpu time spent up to now is 375.8 secs Computing kpt #: 182 total cpu time spent up to now is 377.5 secs Computing kpt #: 183 total cpu time spent up to now is 379.2 secs Computing kpt #: 184 total cpu time spent up to now is 380.9 secs Computing kpt #: 185 total cpu time spent up to now is 382.6 secs Computing kpt #: 186 total cpu time spent up to now is 384.3 secs Computing kpt #: 187 total cpu time spent up to now is 386.0 secs Computing kpt #: 188 total cpu time spent up to now is 387.8 secs Computing kpt #: 189 total cpu time spent up to now is 389.5 secs Computing kpt #: 190 total cpu time spent up to now is 391.2 secs Computing kpt #: 191 total cpu time spent up to now is 393.0 secs Computing kpt #: 192 total cpu time spent up to now is 394.8 secs Computing kpt #: 193 total cpu time spent up to now is 396.6 secs Computing kpt #: 194 total cpu time spent up to now is 398.4 secs Computing kpt #: 195 total cpu time spent up to now is 400.2 secs Computing kpt #: 196 total cpu time spent up to now is 402.0 secs Computing kpt #: 197 total cpu time spent up to now is 403.8 secs Computing kpt #: 198 total cpu time spent up to now is 405.4 secs Computing kpt #: 199 total cpu time spent up to now is 407.3 secs Computing kpt #: 200 total cpu time spent up to now is 408.9 secs Computing kpt #: 201 total cpu time spent up to now is 410.5 secs Computing kpt #: 202 total cpu time spent up to now is 412.1 secs Computing kpt #: 203 total cpu time spent up to now is 413.9 secs Computing kpt #: 204 total cpu time spent up to now is 415.5 secs Computing kpt #: 205 total cpu time spent up to now is 417.1 secs Computing kpt #: 206 total cpu time spent up to now is 418.7 secs Computing kpt #: 207 total cpu time spent up to now is 420.3 secs Computing kpt #: 208 total cpu time spent up to now is 421.9 secs Computing kpt #: 209 total cpu time spent up to now is 423.5 secs Computing kpt #: 210 total cpu time spent up to now is 425.0 secs Computing kpt #: 211 total cpu time spent up to now is 426.6 secs Computing kpt #: 212 total cpu time spent up to now is 428.2 secs Computing kpt #: 213 total cpu time spent up to now is 429.7 secs Computing kpt #: 214 total cpu time spent up to now is 431.3 secs Computing kpt #: 215 total cpu time spent up to now is 432.9 secs Computing kpt #: 216 total cpu time spent up to now is 434.4 secs Computing kpt #: 217 total cpu time spent up to now is 436.0 secs Computing kpt #: 218 total cpu time spent up to now is 437.6 secs Computing kpt #: 219 total cpu time spent up to now is 439.2 secs Computing kpt #: 220 total cpu time spent up to now is 441.2 secs Computing kpt #: 221 total cpu time spent up to now is 443.0 secs Computing kpt #: 222 total cpu time spent up to now is 444.6 secs Computing kpt #: 223 total cpu time spent up to now is 446.6 secs Computing kpt #: 224 total cpu time spent up to now is 449.1 secs Computing kpt #: 225 total cpu time spent up to now is 451.2 secs Computing kpt #: 226 total cpu time spent up to now is 453.3 secs Computing kpt #: 227 total cpu time spent up to now is 455.9 secs Computing kpt #: 228 total cpu time spent up to now is 458.6 secs Computing kpt #: 229 total cpu time spent up to now is 460.8 secs Computing kpt #: 230 total cpu time spent up to now is 463.1 secs Computing kpt #: 231 total cpu time spent up to now is 465.3 secs Computing kpt #: 232 total cpu time spent up to now is 467.5 secs Computing kpt #: 233 total cpu time spent up to now is 469.7 secs Computing kpt #: 234 total cpu time spent up to now is 471.8 secs Computing kpt #: 235 total cpu time spent up to now is 474.0 secs Computing kpt #: 236 total cpu time spent up to now is 476.1 secs Computing kpt #: 237 total cpu time spent up to now is 478.2 secs Computing kpt #: 238 total cpu time spent up to now is 480.3 secs Computing kpt #: 239 total cpu time spent up to now is 482.3 secs Computing kpt #: 240 total cpu time spent up to now is 484.3 secs Computing kpt #: 241 total cpu time spent up to now is 486.3 secs Computing kpt #: 242 total cpu time spent up to now is 488.3 secs Computing kpt #: 243 total cpu time spent up to now is 489.9 secs Computing kpt #: 244 total cpu time spent up to now is 491.8 secs Computing kpt #: 245 total cpu time spent up to now is 493.4 secs Computing kpt #: 246 total cpu time spent up to now is 494.9 secs Computing kpt #: 247 total cpu time spent up to now is 496.4 secs Computing kpt #: 248 total cpu time spent up to now is 498.4 secs Computing kpt #: 249 total cpu time spent up to now is 500.2 secs Computing kpt #: 250 total cpu time spent up to now is 501.9 secs Computing kpt #: 251 total cpu time spent up to now is 503.7 secs Computing kpt #: 252 total cpu time spent up to now is 505.4 secs Computing kpt #: 253 total cpu time spent up to now is 507.1 secs Computing kpt #: 254 total cpu time spent up to now is 508.9 secs Computing kpt #: 255 total cpu time spent up to now is 510.6 secs Computing kpt #: 256 total cpu time spent up to now is 512.4 secs Computing kpt #: 257 total cpu time spent up to now is 514.2 secs Computing kpt #: 258 total cpu time spent up to now is 516.0 secs Computing kpt #: 259 total cpu time spent up to now is 517.8 secs Computing kpt #: 260 total cpu time spent up to now is 519.6 secs Computing kpt #: 261 total cpu time spent up to now is 521.4 secs Computing kpt #: 262 total cpu time spent up to now is 523.1 secs Computing kpt #: 263 total cpu time spent up to now is 524.8 secs Computing kpt #: 264 total cpu time spent up to now is 526.4 secs Computing kpt #: 265 total cpu time spent up to now is 528.0 secs Computing kpt #: 266 total cpu time spent up to now is 529.6 secs Computing kpt #: 267 total cpu time spent up to now is 531.1 secs Computing kpt #: 268 total cpu time spent up to now is 532.5 secs Computing kpt #: 269 total cpu time spent up to now is 534.0 secs Computing kpt #: 270 total cpu time spent up to now is 535.5 secs Computing kpt #: 271 total cpu time spent up to now is 537.0 secs Computing kpt #: 272 total cpu time spent up to now is 538.5 secs Computing kpt #: 273 total cpu time spent up to now is 540.1 secs Computing kpt #: 274 total cpu time spent up to now is 541.6 secs Computing kpt #: 275 total cpu time spent up to now is 543.2 secs Computing kpt #: 276 total cpu time spent up to now is 544.7 secs Computing kpt #: 277 total cpu time spent up to now is 546.3 secs Computing kpt #: 278 total cpu time spent up to now is 547.8 secs Computing kpt #: 279 total cpu time spent up to now is 549.4 secs Computing kpt #: 280 total cpu time spent up to now is 550.9 secs Computing kpt #: 281 total cpu time spent up to now is 552.4 secs Computing kpt #: 282 total cpu time spent up to now is 554.0 secs Computing kpt #: 283 total cpu time spent up to now is 555.5 secs Computing kpt #: 284 total cpu time spent up to now is 557.1 secs Computing kpt #: 285 total cpu time spent up to now is 558.6 secs Computing kpt #: 286 total cpu time spent up to now is 560.1 secs Computing kpt #: 287 total cpu time spent up to now is 561.7 secs Computing kpt #: 288 total cpu time spent up to now is 563.2 secs Computing kpt #: 289 total cpu time spent up to now is 564.7 secs Computing kpt #: 290 total cpu time spent up to now is 566.2 secs Computing kpt #: 291 total cpu time spent up to now is 567.7 secs Computing kpt #: 292 total cpu time spent up to now is 569.3 secs Computing kpt #: 293 total cpu time spent up to now is 570.8 secs Computing kpt #: 294 total cpu time spent up to now is 572.3 secs Computing kpt #: 295 total cpu time spent up to now is 573.9 secs Computing kpt #: 296 total cpu time spent up to now is 575.9 secs Computing kpt #: 297 total cpu time spent up to now is 577.8 secs Computing kpt #: 298 total cpu time spent up to now is 579.7 secs Computing kpt #: 299 total cpu time spent up to now is 581.4 secs Computing kpt #: 300 total cpu time spent up to now is 583.2 secs Computing kpt #: 301 total cpu time spent up to now is 584.8 secs Computing kpt #: 302 total cpu time spent up to now is 586.4 secs Computing kpt #: 303 total cpu time spent up to now is 588.0 secs Computing kpt #: 304 total cpu time spent up to now is 589.5 secs Computing kpt #: 305 total cpu time spent up to now is 590.8 secs Computing kpt #: 306 total cpu time spent up to now is 592.2 secs Computing kpt #: 307 total cpu time spent up to now is 593.6 secs Computing kpt #: 308 total cpu time spent up to now is 594.9 secs Computing kpt #: 309 total cpu time spent up to now is 596.3 secs Computing kpt #: 310 total cpu time spent up to now is 597.8 secs Computing kpt #: 311 total cpu time spent up to now is 599.2 secs Computing kpt #: 312 total cpu time spent up to now is 600.5 secs Computing kpt #: 313 total cpu time spent up to now is 602.1 secs Computing kpt #: 314 total cpu time spent up to now is 603.4 secs Computing kpt #: 315 total cpu time spent up to now is 605.0 secs Computing kpt #: 316 total cpu time spent up to now is 606.3 secs Computing kpt #: 317 total cpu time spent up to now is 607.8 secs Computing kpt #: 318 total cpu time spent up to now is 609.3 secs Computing kpt #: 319 total cpu time spent up to now is 610.9 secs Computing kpt #: 320 total cpu time spent up to now is 612.5 secs Computing kpt #: 321 total cpu time spent up to now is 614.2 secs Computing kpt #: 322 total cpu time spent up to now is 615.8 secs Computing kpt #: 323 total cpu time spent up to now is 617.4 secs Computing kpt #: 324 total cpu time spent up to now is 619.0 secs Computing kpt #: 325 total cpu time spent up to now is 620.6 secs Computing kpt #: 326 total cpu time spent up to now is 622.2 secs Computing kpt #: 327 total cpu time spent up to now is 624.2 secs Computing kpt #: 328 total cpu time spent up to now is 625.9 secs Computing kpt #: 329 total cpu time spent up to now is 627.9 secs Computing kpt #: 330 total cpu time spent up to now is 629.7 secs Computing kpt #: 331 total cpu time spent up to now is 631.8 secs Computing kpt #: 332 total cpu time spent up to now is 633.8 secs Computing kpt #: 333 total cpu time spent up to now is 635.9 secs Computing kpt #: 334 total cpu time spent up to now is 638.3 secs Computing kpt #: 335 total cpu time spent up to now is 640.8 secs Computing kpt #: 336 total cpu time spent up to now is 643.3 secs Computing kpt #: 337 total cpu time spent up to now is 645.9 secs Computing kpt #: 338 total cpu time spent up to now is 649.0 secs Computing kpt #: 339 total cpu time spent up to now is 652.2 secs Computing kpt #: 340 total cpu time spent up to now is 655.6 secs Computing kpt #: 341 total cpu time spent up to now is 658.1 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 661.7 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 665.3 secs Computing kpt #: 344 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 669.0 secs Computing kpt #: 345 total cpu time spent up to now is 672.4 secs Computing kpt #: 346 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 676.1 secs Computing kpt #: 347 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 679.8 secs Computing kpt #: 348 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 683.6 secs Computing kpt #: 349 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 687.5 secs Computing kpt #: 350 total cpu time spent up to now is 691.0 secs Computing kpt #: 351 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 694.8 secs Computing kpt #: 352 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 698.6 secs Computing kpt #: 353 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 702.4 secs Computing kpt #: 354 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 706.2 secs Computing kpt #: 355 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 710.1 secs Computing kpt #: 356 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 713.9 secs Computing kpt #: 357 total cpu time spent up to now is 716.2 secs Computing kpt #: 358 total cpu time spent up to now is 718.5 secs Computing kpt #: 359 total cpu time spent up to now is 720.7 secs Computing kpt #: 360 total cpu time spent up to now is 723.4 secs Computing kpt #: 361 total cpu time spent up to now is 725.7 secs Computing kpt #: 362 total cpu time spent up to now is 728.2 secs Computing kpt #: 363 total cpu time spent up to now is 731.1 secs Computing kpt #: 364 total cpu time spent up to now is 733.4 secs ethr = 1.56E-08, avg # of iterations = 44.3 total cpu time spent up to now is 733.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7629 PWs) bands (ev): -0.4060 -0.4060 1.1961 1.1961 1.4894 1.4894 1.7096 1.7096 5.0891 5.0891 5.3647 5.3647 6.2259 6.2259 6.4684 6.4684 6.8618 6.8618 7.3055 7.3055 7.4667 7.4667 7.6884 7.6884 7.8038 7.8038 7.8333 7.8333 8.0173 8.0173 8.5280 8.5280 8.6898 8.6898 8.6909 8.6909 8.8949 8.8949 9.0553 9.0553 9.0559 9.0559 9.2826 9.2826 9.4230 9.4230 9.5164 9.5164 9.7014 9.7014 9.7668 9.7668 9.8639 9.8639 9.8778 9.8778 10.0877 10.0877 10.1458 10.1458 10.1609 10.1609 10.1635 10.1635 10.5535 10.5535 10.6811 10.6811 11.1448 11.1448 11.3078 11.3078 11.4344 11.4344 11.7860 11.7860 k = 0.0122-0.0000-0.0000 ( 7621 PWs) bands (ev): -0.4045 -0.4045 1.1970 1.1970 1.4896 1.4896 1.7095 1.7095 5.0901 5.0901 5.3661 5.3661 6.2253 6.2253 6.4697 6.4697 6.8630 6.8630 7.3051 7.3051 7.4680 7.4680 7.6886 7.6886 7.8002 7.8002 7.8312 7.8312 8.0166 8.0166 8.5259 8.5259 8.6889 8.6889 8.6914 8.6914 8.8952 8.8952 9.0510 9.0510 9.0588 9.0588 9.2847 9.2847 9.4232 9.4232 9.5161 9.5161 9.7004 9.7004 9.7622 9.7622 9.8626 9.8626 9.8778 9.8778 10.0818 10.0818 10.1375 10.1375 10.1560 10.1560 10.1814 10.1814 10.5520 10.5520 10.6846 10.6846 11.1447 11.1447 11.3071 11.3071 11.4367 11.4367 11.7777 11.7777 k = 0.0244-0.0000-0.0000 ( 7609 PWs) bands (ev): -0.4001 -0.4001 1.1999 1.1999 1.4905 1.4905 1.7094 1.7094 5.0931 5.0931 5.3703 5.3703 6.2233 6.2233 6.4739 6.4739 6.8666 6.8666 7.3040 7.3040 7.4718 7.4718 7.6893 7.6893 7.7896 7.7896 7.8249 7.8249 8.0144 8.0144 8.5198 8.5198 8.6872 8.6872 8.6919 8.6919 8.8962 8.8962 9.0440 9.0440 9.0618 9.0618 9.2907 9.2907 9.4238 9.4238 9.5151 9.5151 9.6975 9.6975 9.7486 9.7486 9.8595 9.8595 9.8770 9.8770 10.0663 10.0663 10.1271 10.1271 10.1527 10.1527 10.2071 10.2071 10.5474 10.5474 10.6948 10.6948 11.1443 11.1443 11.3046 11.3046 11.4434 11.4434 11.7559 11.7559 k = 0.0366-0.0000-0.0000 ( 7621 PWs) bands (ev): -0.3928 -0.3928 1.2046 1.2046 1.4920 1.4920 1.7092 1.7092 5.0980 5.0980 5.3773 5.3773 6.2202 6.2202 6.4806 6.4806 6.8725 6.8725 7.3021 7.3021 7.4779 7.4779 7.6902 7.6902 7.7719 7.7719 7.8146 7.8146 8.0107 8.0107 8.5096 8.5096 8.6851 8.6851 8.6921 8.6921 8.8978 8.8978 9.0345 9.0345 9.0651 9.0651 9.3000 9.3000 9.4243 9.4243 9.5134 9.5134 9.6925 9.6925 9.7272 9.7272 9.8554 9.8554 9.8748 9.8748 10.0456 10.0456 10.1176 10.1176 10.1482 10.1482 10.2361 10.2361 10.5402 10.5402 10.7112 10.7112 11.1435 11.1435 11.2994 11.2994 11.4543 11.4543 11.7267 11.7267 k = 0.0488-0.0000-0.0000 ( 7619 PWs) bands (ev): -0.3826 -0.3826 1.2112 1.2112 1.4940 1.4940 1.7088 1.7088 5.1048 5.1048 5.3871 5.3871 6.2163 6.2163 6.4900 6.4900 6.8807 6.8807 7.2996 7.2996 7.4864 7.4864 7.6912 7.6912 7.7475 7.7475 7.8002 7.8002 8.0057 8.0057 8.4956 8.4956 8.6826 8.6826 8.6919 8.6919 8.9001 8.9001 9.0231 9.0231 9.0693 9.0693 9.3116 9.3116 9.4245 9.4245 9.5110 9.5110 9.6854 9.6854 9.6999 9.6999 9.8497 9.8497 9.8719 9.8719 10.0227 10.0227 10.1073 10.1073 10.1429 10.1429 10.2671 10.2671 10.5307 10.5307 10.7326 10.7326 11.1425 11.1425 11.2899 11.2899 11.4689 11.4689 11.6963 11.6963 k = 0.0610-0.0000-0.0000 ( 7615 PWs) bands (ev): -0.3694 -0.3694 1.2197 1.2197 1.4965 1.4965 1.7084 1.7084 5.1132 5.1132 5.3996 5.3996 6.2117 6.2117 6.5019 6.5019 6.8912 6.8912 7.2964 7.2964 7.4970 7.4970 7.6911 7.6911 7.7172 7.7172 7.7820 7.7820 7.9992 7.9992 8.4779 8.4779 8.6798 8.6798 8.6914 8.6914 8.9033 8.9033 9.0102 9.0102 9.0744 9.0744 9.3246 9.3246 9.4234 9.4234 9.5077 9.5077 9.6681 9.6681 9.6771 9.6771 9.8414 9.8414 9.8696 9.8696 9.9986 9.9986 10.0957 10.0957 10.1366 10.1366 10.2992 10.2992 10.5198 10.5198 10.7580 10.7580 11.1413 11.1413 11.2746 11.2746 11.4866 11.4866 11.6694 11.6694 k = 0.0732-0.0000-0.0000 ( 7619 PWs) bands (ev): -0.3534 -0.3534 1.2299 1.2299 1.4996 1.4996 1.7079 1.7079 5.1232 5.1232 5.4149 5.4149 6.2070 6.2070 6.5160 6.5160 6.9039 6.9039 7.2928 7.2928 7.5094 7.5094 7.6728 7.6728 7.6978 7.6978 7.7602 7.7602 7.9915 7.9915 8.4567 8.4567 8.6765 8.6765 8.6907 8.6907 8.9073 8.9073 8.9966 8.9966 9.0804 9.0804 9.3383 9.3383 9.4195 9.4195 9.5035 9.5035 9.6366 9.6366 9.6657 9.6657 9.8300 9.8300 9.8684 9.8684 9.9737 9.9737 10.0831 10.0831 10.1297 10.1297 10.3315 10.3315 10.5087 10.5087 10.7865 10.7865 11.1397 11.1397 11.2519 11.2519 11.5070 11.5070 11.6495 11.6495 k = 0.0854-0.0000-0.0000 ( 7615 PWs) bands (ev): -0.3345 -0.3345 1.2418 1.2418 1.5031 1.5031 1.7073 1.7073 5.1346 5.1346 5.4329 5.4329 6.2026 6.2026 6.5321 6.5321 6.9188 6.9188 7.2889 7.2889 7.5235 7.5235 7.6294 7.6294 7.6952 7.6952 7.7366 7.7366 7.9825 7.9825 8.4322 8.4322 8.6729 8.6729 8.6899 8.6899 8.9120 8.9120 8.9827 8.9827 9.0872 9.0872 9.3518 9.3518 9.4111 9.4111 9.4984 9.4984 9.6077 9.6077 9.6524 9.6524 9.8162 9.8162 9.8682 9.8682 9.9482 9.9482 10.0700 10.0700 10.1220 10.1220 10.3616 10.3616 10.4999 10.4999 10.8172 10.8172 11.1378 11.1378 11.2216 11.2216 11.5293 11.5293 11.6377 11.6377 k = 0.0976-0.0000-0.0000 ( 7615 PWs) bands (ev): -0.3128 -0.3128 1.2554 1.2554 1.5072 1.5072 1.7066 1.7066 5.1471 5.1471 5.4536 5.4536 6.1990 6.1990 6.5500 6.5500 6.9357 6.9357 7.2848 7.2848 7.5390 7.5390 7.5782 7.5782 7.6850 7.6850 7.7181 7.7181 7.9723 7.9723 8.4048 8.4048 8.6688 8.6688 8.6891 8.6891 8.9176 8.9176 8.9690 8.9690 9.0948 9.0948 9.3632 9.3632 9.3970 9.3970 9.4922 9.4922 9.5853 9.5853 9.6371 9.6371 9.8007 9.8007 9.8684 9.8684 9.9225 9.9225 10.0570 10.0570 10.1135 10.1135 10.3846 10.3846 10.4983 10.4983 10.8491 10.8491 11.1355 11.1355 11.1845 11.1845 11.5529 11.5529 11.6341 11.6341 k = 0.1098-0.0000-0.0000 ( 7607 PWs) bands (ev): -0.2883 -0.2883 1.2706 1.2706 1.5117 1.5117 1.7058 1.7058 5.1605 5.1605 5.4769 5.4769 6.1967 6.1967 6.5693 6.5693 6.9546 6.9546 7.2809 7.2809 7.5202 7.5202 7.5561 7.5561 7.6580 7.6580 7.7129 7.7129 7.9610 7.9610 8.3747 8.3747 8.6642 8.6642 8.6884 8.6884 8.9237 8.9237 8.9561 8.9561 9.1030 9.1030 9.3592 9.3592 9.3888 9.3888 9.4852 9.4852 9.5711 9.5711 9.6201 9.6201 9.7843 9.7843 9.8674 9.8674 9.8979 9.8979 10.0447 10.0447 10.1041 10.1041 10.3939 10.3939 10.5107 10.5107 10.8817 10.8817 11.1317 11.1317 11.1431 11.1431 11.5774 11.5774 11.6374 11.6374 k = 0.1220-0.0000-0.0000 ( 7615 PWs) bands (ev): -0.2610 -0.2610 1.2873 1.2873 1.5166 1.5166 1.7049 1.7049 5.1745 5.1745 5.5027 5.5027 6.1962 6.1962 6.5895 6.5895 6.9752 6.9752 7.2773 7.2773 7.4569 7.4569 7.5737 7.5737 7.6219 7.6219 7.7131 7.7131 7.9487 7.9487 8.3421 8.3421 8.6590 8.6590 8.6880 8.6880 8.9290 8.9290 8.9452 8.9452 9.1116 9.1116 9.3305 9.3305 9.3970 9.3970 9.4777 9.4777 9.5634 9.5634 9.6024 9.6024 9.7676 9.7676 9.8578 9.8578 9.8816 9.8816 10.0333 10.0333 10.0939 10.0939 10.3894 10.3894 10.5371 10.5371 10.9144 10.9144 11.0950 11.0950 11.1307 11.1307 11.6023 11.6023 11.6463 11.6463 k = 0.1341-0.0000-0.0000 ( 7611 PWs) bands (ev): -0.2311 -0.2311 1.3054 1.3054 1.5218 1.5218 1.7040 1.7040 5.1887 5.1887 5.5310 5.5310 6.1982 6.1982 6.6100 6.6100 6.9974 6.9974 7.2744 7.2744 7.3883 7.3883 7.5810 7.5810 7.5921 7.5921 7.7144 7.7144 7.9355 7.9355 8.3074 8.3074 8.6532 8.6532 8.6880 8.6880 8.9263 8.9263 8.9440 8.9440 9.1204 9.1204 9.2940 9.2940 9.4071 9.4071 9.4700 9.4700 9.5557 9.5557 9.5879 9.5879 9.7514 9.7514 9.8346 9.8346 9.8788 9.8788 10.0232 10.0232 10.0829 10.0829 10.3771 10.3771 10.5713 10.5713 10.9463 10.9463 11.0470 11.0470 11.1271 11.1271 11.6272 11.6272 11.6596 11.6596 k = 0.1463-0.0000-0.0000 ( 7603 PWs) bands (ev): -0.1984 -0.1984 1.3247 1.3247 1.5274 1.5274 1.7030 1.7030 5.2030 5.2030 5.5617 5.5617 6.2030 6.2030 6.6302 6.6302 7.0208 7.0208 7.2726 7.2726 7.3152 7.3152 7.5367 7.5367 7.6111 7.6111 7.7159 7.7159 7.9215 7.9215 8.2706 8.2706 8.6468 8.6468 8.6886 8.6886 8.9167 8.9167 8.9513 8.9513 9.1291 9.1291 9.2551 9.2551 9.4162 9.4162 9.4626 9.4626 9.5395 9.5395 9.5830 9.5830 9.7365 9.7365 9.8078 9.8078 9.8794 9.8794 10.0143 10.0143 10.0713 10.0713 10.3614 10.3614 10.6089 10.6089 10.9734 10.9734 11.0018 11.0018 11.1233 11.1233 11.6518 11.6518 11.6762 11.6762 k = 0.1585-0.0000-0.0000 ( 7591 PWs) bands (ev): -0.1631 -0.1631 1.3453 1.3453 1.5333 1.5333 1.7019 1.7019 5.2171 5.2171 5.5948 5.5948 6.2113 6.2113 6.6491 6.6491 7.0449 7.0449 7.2367 7.2367 7.2740 7.2740 7.4896 7.4896 7.6304 7.6304 7.7172 7.7172 7.9069 7.9069 8.2320 8.2320 8.6399 8.6399 8.6897 8.6897 8.9068 8.9068 8.9605 8.9605 9.1372 9.1372 9.2166 9.2166 9.4230 9.4230 9.4560 9.4560 9.5164 9.5164 9.5843 9.5843 9.7241 9.7241 9.7805 9.7805 9.8803 9.8803 10.0065 10.0065 10.0592 10.0592 10.3441 10.3441 10.6476 10.6476 10.9429 10.9429 11.0125 11.0125 11.1192 11.1192 11.6759 11.6759 11.6955 11.6955 k = 0.1707-0.0000-0.0000 ( 7587 PWs) bands (ev): -0.1253 -0.1253 1.3668 1.3668 1.5395 1.5395 1.7008 1.7008 5.2306 5.2306 5.6301 5.6301 6.2235 6.2235 6.6659 6.6659 7.0681 7.0681 7.1571 7.1571 7.2765 7.2765 7.4406 7.4406 7.6498 7.6498 7.7181 7.7181 7.8917 7.8917 8.1919 8.1919 8.6324 8.6324 8.6916 8.6916 8.8976 8.8976 8.9707 8.9707 9.1423 9.1423 9.1821 9.1821 9.4262 9.4262 9.4505 9.4505 9.4915 9.4915 9.5862 9.5862 9.7152 9.7152 9.7533 9.7533 9.8808 9.8808 9.9996 9.9996 10.0468 10.0468 10.3262 10.3262 10.6860 10.6860 10.8936 10.8936 11.0407 11.0407 11.1146 11.1146 11.6993 11.6993 11.7172 11.7172 k = 0.1829-0.0000-0.0000 ( 7607 PWs) bands (ev): -0.0850 -0.0850 1.3891 1.3891 1.5458 1.5458 1.6996 1.6996 5.2435 5.2435 5.6676 5.6676 6.2398 6.2398 6.6794 6.6794 7.0628 7.0628 7.1012 7.1012 7.2826 7.2826 7.3912 7.3912 7.6692 7.6692 7.7185 7.7185 7.8761 7.8761 8.1503 8.1503 8.6246 8.6246 8.6941 8.6941 8.8894 8.8894 8.9814 8.9814 9.1309 9.1309 9.1657 9.1657 9.4237 9.4237 9.4427 9.4427 9.4717 9.4717 9.5859 9.5859 9.7104 9.7104 9.7273 9.7273 9.8803 9.8803 9.9933 9.9933 10.0348 10.0348 10.3079 10.3079 10.7231 10.7231 10.8440 10.8440 11.0676 11.0676 11.1100 11.1100 11.7212 11.7212 11.7408 11.7408 k = 0.1951-0.0000-0.0000 ( 7607 PWs) bands (ev): -0.0422 -0.0422 1.4122 1.4122 1.5524 1.5524 1.6983 1.6983 5.2556 5.2556 5.7070 5.7070 6.2605 6.2605 6.6887 6.6887 6.9816 6.9816 7.1143 7.1143 7.2927 7.2927 7.3448 7.3448 7.6884 7.6884 7.7184 7.7184 7.8603 7.8603 8.1076 8.1076 8.6166 8.6166 8.6974 8.6974 8.8823 8.8823 8.9927 8.9927 9.1026 9.1026 9.1684 9.1684 9.4101 9.4101 9.4305 9.4305 9.4659 9.4659 9.5822 9.5822 9.6969 9.6969 9.7162 9.7162 9.8783 9.8783 9.9870 9.9870 10.0238 10.0238 10.2897 10.2897 10.7580 10.7580 10.7953 10.7953 11.0899 11.0899 11.1079 11.1079 11.7250 11.7250 11.7478 11.7478 k = 0.2073-0.0000-0.0000 ( 7625 PWs) bands (ev): 0.0029 0.0029 1.4356 1.4356 1.5590 1.5590 1.6971 1.6971 5.2668 5.2668 5.7483 5.7483 6.2858 6.2858 6.6928 6.6928 6.8939 6.8939 7.1203 7.1203 7.3046 7.3046 7.3116 7.3116 7.7073 7.7073 7.7178 7.7178 7.8445 7.8445 8.0638 8.0638 8.6084 8.6084 8.7014 8.7014 8.8762 8.8762 9.0044 9.0044 9.0742 9.0742 9.1738 9.1738 9.3827 9.3827 9.4242 9.4242 9.4668 9.4668 9.5752 9.5752 9.6720 9.6720 9.7220 9.7220 9.8743 9.8743 9.9803 9.9803 10.0146 10.0146 10.2717 10.2717 10.7474 10.7474 10.7899 10.7899 11.0937 11.0937 11.1215 11.1215 11.6929 11.6929 11.7664 11.7664 k = 0.2195-0.0000-0.0000 ( 7625 PWs) bands (ev): 0.0503 0.0503 1.4594 1.4594 1.5657 1.5657 1.6958 1.6958 5.2773 5.2773 5.7912 5.7912 6.3157 6.3157 6.6910 6.6910 6.8048 6.8048 7.1038 7.1038 7.2933 7.2933 7.3279 7.3279 7.7169 7.7169 7.7257 7.7257 7.8288 7.8288 8.0192 8.0192 8.6002 8.6002 8.7062 8.7062 8.8711 8.8711 9.0162 9.0162 9.0490 9.0490 9.1788 9.1788 9.3511 9.3511 9.4206 9.4206 9.4690 9.4690 9.5660 9.5660 9.6470 9.6470 9.7321 9.7321 9.8678 9.8678 9.9732 9.9732 10.0077 10.0077 10.2539 10.2539 10.7011 10.7011 10.8173 10.8173 11.0882 11.0882 11.1414 11.1414 11.6628 11.6628 11.7861 11.7861 k = 0.2317-0.0000-0.0000 ( 7615 PWs) bands (ev): 0.0998 0.0998 1.4831 1.4831 1.5724 1.5724 1.6944 1.6944 5.2872 5.2872 5.8356 5.8356 6.3502 6.3502 6.6829 6.6829 6.7156 6.7156 7.0629 7.0629 7.3016 7.3016 7.3525 7.3525 7.7156 7.7156 7.7437 7.7437 7.8133 7.8133 7.9741 7.9741 8.5920 8.5920 8.7117 8.7117 8.8670 8.8670 9.0237 9.0237 9.0318 9.0318 9.1829 9.1829 9.3184 9.3184 9.4183 9.4183 9.4712 9.4712 9.5557 9.5557 9.6227 9.6227 9.7441 9.7441 9.8585 9.8585 9.9662 9.9662 10.0028 10.0028 10.2364 10.2364 10.6562 10.6562 10.8394 10.8394 11.0814 11.0814 11.1593 11.1593 11.6375 11.6375 11.8052 11.8052 k = 0.2439-0.0000-0.0000 ( 7615 PWs) bands (ev): 0.1514 0.1514 1.5066 1.5066 1.5792 1.5792 1.6931 1.6931 5.2966 5.2966 5.8810 5.8810 6.3889 6.3889 6.6262 6.6262 6.6694 6.6694 7.0071 7.0071 7.3231 7.3231 7.3819 7.3819 7.7142 7.7142 7.7609 7.7609 7.7983 7.7983 7.9288 7.9288 8.5838 8.5838 8.7179 8.7179 8.8638 8.8638 9.0082 9.0082 9.0418 9.0418 9.1857 9.1857 9.2856 9.2856 9.4171 9.4171 9.4730 9.4730 9.5451 9.5451 9.5994 9.5994 9.7560 9.7560 9.8472 9.8472 9.9598 9.9598 9.9993 9.9993 10.2194 10.2194 10.6129 10.6129 10.8550 10.8550 11.0739 11.0739 11.1743 11.1743 11.6178 11.6178 11.8232 11.8232 k = 0.2561-0.0000-0.0000 ( 7617 PWs) bands (ev): 0.2050 0.2050 1.5294 1.5294 1.5860 1.5860 1.6917 1.6917 5.3058 5.3058 5.9270 5.9270 6.4317 6.4317 6.5394 6.5394 6.6493 6.6493 6.9434 6.9434 7.3506 7.3506 7.4153 7.4153 7.7129 7.7129 7.7772 7.7772 7.7843 7.7843 7.8835 7.8835 8.5757 8.5757 8.7248 8.7248 8.8615 8.8615 8.9944 8.9944 9.0540 9.0540 9.1869 9.1869 9.2536 9.2536 9.4168 9.4168 9.4744 9.4744 9.5346 9.5346 9.5773 9.5773 9.7648 9.7648 9.8362 9.8362 9.9543 9.9543 9.9967 9.9967 10.2028 10.2028 10.5713 10.5713 10.8631 10.8631 11.0660 11.0660 11.1858 11.1858 11.6047 11.6047 11.8402 11.8402 k = 0.2683-0.0000-0.0000 ( 7625 PWs) bands (ev): 0.2604 0.2604 1.5513 1.5513 1.5928 1.5928 1.6903 1.6903 5.3150 5.3150 5.9727 5.9727 6.4536 6.4536 6.4801 6.4801 6.6240 6.6240 6.8755 6.8755 7.3805 7.3805 7.4520 7.4520 7.7120 7.7120 7.7702 7.7702 7.7932 7.7932 7.8389 7.8389 8.5675 8.5675 8.7322 8.7322 8.8598 8.8598 8.9845 8.9845 9.0663 9.0663 9.1848 9.1848 9.2245 9.2245 9.4172 9.4172 9.4754 9.4754 9.5245 9.5245 9.5567 9.5567 9.7651 9.7651 9.8309 9.8309 9.9495 9.9495 9.9948 9.9948 10.1868 10.1868 10.5315 10.5315 10.8630 10.8630 11.0576 11.0576 11.1934 11.1934 11.5987 11.5987 11.8560 11.8560 k = 0.2805-0.0000-0.0000 ( 7617 PWs) bands (ev): 0.3175 0.3175 1.5717 1.5717 1.5999 1.5999 1.6889 1.6889 5.3246 5.3246 6.0160 6.0160 6.3761 6.3761 6.5289 6.5289 6.5940 6.5940 6.8048 6.8048 7.4107 7.4107 7.4907 7.4907 7.7119 7.7119 7.7577 7.7577 7.7936 7.7936 7.8098 7.8098 8.5592 8.5592 8.7401 8.7401 8.8588 8.8588 8.9786 8.9786 9.0783 9.0783 9.1726 9.1726 9.2057 9.2057 9.4181 9.4181 9.4759 9.4759 9.5149 9.5149 9.5378 9.5378 9.7535 9.7535 9.8347 9.8347 9.9452 9.9452 9.9933 9.9933 10.1715 10.1715 10.4935 10.4935 10.8544 10.8544 11.0491 11.0491 11.1970 11.1970 11.5997 11.5997 11.8704 11.8704 k = 0.2927-0.0000-0.0000 ( 7615 PWs) bands (ev): 0.3763 0.3763 1.5895 1.5895 1.6080 1.6080 1.6875 1.6875 5.3348 5.3348 6.0520 6.0520 6.3084 6.3084 6.5579 6.5579 6.5837 6.5837 6.7323 6.7323 7.4395 7.4395 7.5303 7.5303 7.7130 7.7130 7.7459 7.7459 7.7533 7.7533 7.8230 7.8230 8.5505 8.5505 8.7485 8.7485 8.8582 8.8582 8.9766 8.9766 9.0897 9.0897 9.1480 9.1480 9.2002 9.2002 9.4191 9.4191 9.4760 9.4760 9.5054 9.5054 9.5213 9.5213 9.7334 9.7334 9.8443 9.8443 9.9410 9.9410 9.9921 9.9921 10.1569 10.1569 10.4575 10.4575 10.8378 10.8378 11.0404 11.0404 11.1962 11.1962 11.6075 11.6075 11.8833 11.8833 k = 0.3049-0.0000-0.0000 ( 7615 PWs) bands (ev): 0.4364 0.4364 1.6028 1.6028 1.6185 1.6185 1.6862 1.6862 5.3459 5.3459 6.0673 6.0673 6.2654 6.2654 6.5206 6.5206 6.6387 6.6387 6.6588 6.6588 7.4648 7.4648 7.5689 7.5689 7.7129 7.7129 7.7179 7.7179 7.7374 7.7374 7.8361 7.8361 8.5414 8.5414 8.7572 8.7572 8.8578 8.8578 8.9784 8.9784 9.0979 9.0979 9.1228 9.1228 9.1990 9.1990 9.4201 9.4201 9.4756 9.4756 9.4952 9.4952 9.5085 9.5085 9.7091 9.7091 9.8557 9.8557 9.9367 9.9367 9.9913 9.9913 10.1432 10.1432 10.4233 10.4233 10.8138 10.8138 11.0317 11.0317 11.1911 11.1911 11.6210 11.6210 11.8947 11.8947 k = 0.3171-0.0000-0.0000 ( 7612 PWs) bands (ev): 0.4978 0.4978 1.6114 1.6114 1.6313 1.6313 1.6848 1.6848 5.3580 5.3580 6.0450 6.0450 6.2641 6.2641 6.4796 6.4796 6.5846 6.5846 6.6970 6.6970 7.4829 7.4829 7.6036 7.6036 7.6832 7.6832 7.7198 7.7198 7.7341 7.7341 7.8484 7.8484 8.5320 8.5320 8.7661 8.7661 8.8574 8.8574 8.9837 8.9837 9.0848 9.0848 9.1186 9.1186 9.1991 9.1991 9.4208 9.4208 9.4735 9.4735 9.4849 9.4849 9.4999 9.4999 9.6825 9.6825 9.8670 9.8670 9.9323 9.9323 9.9907 9.9907 10.1304 10.1304 10.3910 10.3910 10.7834 10.7834 11.0231 11.0231 11.1818 11.1818 11.6394 11.6394 11.9046 11.9046 k = 0.3293-0.0000-0.0000 ( 7620 PWs) bands (ev): 0.5602 0.5602 1.6178 1.6178 1.6434 1.6434 1.6835 1.6835 5.3716 5.3716 5.9959 5.9959 6.2939 6.2939 6.4363 6.4363 6.5105 6.5105 6.7571 6.7571 7.4885 7.4885 7.6303 7.6303 7.6645 7.6645 7.7162 7.7162 7.7469 7.7469 7.8599 7.8599 8.5224 8.5224 8.7750 8.7750 8.8565 8.8565 8.9924 8.9924 9.0587 9.0587 9.1277 9.1277 9.1999 9.1999 9.4210 9.4210 9.4665 9.4665 9.4794 9.4794 9.4938 9.4938 9.6547 9.6547 9.8772 9.8772 9.9277 9.9277 9.9905 9.9905 10.1186 10.1186 10.3606 10.3606 10.7477 10.7477 11.0147 11.0147 11.1690 11.1690 11.6615 11.6615 11.9138 11.9138 k = 0.3415-0.0000-0.0000 ( 7618 PWs) bands (ev): 0.6236 0.6236 1.6234 1.6234 1.6532 1.6532 1.6822 1.6822 5.3866 5.3866 5.9390 5.9390 6.3331 6.3331 6.3939 6.3939 6.4374 6.4374 6.8186 6.8186 7.4772 7.4772 7.6455 7.6455 7.6633 7.6633 7.7110 7.7110 7.7720 7.7720 7.8705 7.8705 8.5127 8.5127 8.7838 8.7838 8.8549 8.8549 9.0035 9.0035 9.0330 9.0330 9.1379 9.1379 9.2014 9.2014 9.4207 9.4207 9.4568 9.4568 9.4776 9.4776 9.4893 9.4893 9.6263 9.6263 9.8857 9.8857 9.9231 9.9231 9.9907 9.9907 10.1079 10.1079 10.3321 10.3321 10.7078 10.7078 11.0066 11.0066 11.1531 11.1531 11.6865 11.6865 11.9228 11.9228 k = 0.3537-0.0000-0.0000 ( 7614 PWs) bands (ev): 0.6876 0.6876 1.6283 1.6283 1.6601 1.6601 1.6810 1.6810 5.4034 5.4034 5.8827 5.8827 6.3306 6.3306 6.3635 6.3635 6.3978 6.3978 6.8812 6.8812 7.4519 7.4519 7.6535 7.6535 7.6741 7.6741 7.7069 7.7069 7.8039 7.8039 7.8802 7.8802 8.5035 8.5035 8.7923 8.7923 8.8522 8.8522 9.0038 9.0038 9.0219 9.0219 9.1480 9.1480 9.2037 9.2037 9.4197 9.4197 9.4476 9.4476 9.4764 9.4764 9.4859 9.4859 9.5981 9.5981 9.8920 9.8920 9.9191 9.9191 9.9913 9.9913 10.0985 10.0985 10.3055 10.3055 10.6647 10.6647 10.9988 10.9988 11.1349 11.1349 11.7134 11.7134 11.9324 11.9324 k = 0.3659-0.0000-0.0000 ( 7610 PWs) bands (ev): 0.7520 0.7520 1.6328 1.6328 1.6635 1.6635 1.6797 1.6797 5.4220 5.4220 5.8301 5.8301 6.2789 6.2789 6.2993 6.2993 6.4434 6.4434 6.9443 6.9443 7.4187 7.4187 7.6590 7.6590 7.6891 7.6891 7.7040 7.7040 7.8379 7.8379 7.8894 7.8894 8.4953 8.4953 8.8004 8.8004 8.8480 8.8480 8.9815 8.9815 9.0373 9.0373 9.1577 9.1577 9.2069 9.2069 9.4179 9.4179 9.4395 9.4395 9.4752 9.4752 9.4833 9.4833 9.5706 9.5706 9.8951 9.8951 9.9163 9.9163 9.9925 9.9925 10.0903 10.0903 10.2807 10.2807 10.6194 10.6194 10.9914 10.9914 11.1154 11.1154 11.7416 11.7416 11.9434 11.9434 k = 0.3780-0.0000-0.0000 ( 7602 PWs) bands (ev): 0.8167 0.8167 1.6366 1.6366 1.6632 1.6632 1.6785 1.6785 5.4426 5.4426 5.7828 5.7828 6.2141 6.2141 6.2448 6.2448 6.4940 6.4940 7.0075 7.0075 7.3817 7.3817 7.6619 7.6619 7.7025 7.7025 7.7059 7.7059 7.8704 7.8704 7.8985 7.8985 8.4890 8.4890 8.8079 8.8079 8.8419 8.8419 8.9596 8.9596 9.0560 9.0560 9.1671 9.1671 9.2108 9.2108 9.4152 9.4152 9.4328 9.4328 9.4734 9.4734 9.4813 9.4813 9.5449 9.5449 9.8948 9.8948 9.9153 9.9153 9.9944 9.9944 10.0834 10.0834 10.2577 10.2577 10.5726 10.5726 10.9846 10.9846 11.0953 11.0953 11.7707 11.7707 11.9558 11.9558 k = 0.3902-0.0000-0.0000 ( 7600 PWs) bands (ev): 0.8813 0.8813 1.6396 1.6396 1.6593 1.6593 1.6773 1.6773 5.4651 5.4651 5.7416 5.7416 6.1469 6.1469 6.1935 6.1935 6.5454 6.5454 7.0704 7.0704 7.3429 7.3429 7.6629 7.6629 7.7023 7.7023 7.7221 7.7221 7.8956 7.8956 7.9111 7.9111 8.4854 8.4854 8.8146 8.8146 8.8336 8.8336 8.9393 8.9393 9.0766 9.0766 9.1762 9.1762 9.2155 9.2155 9.4115 9.4115 9.4274 9.4274 9.4693 9.4693 9.4800 9.4800 9.5227 9.5227 9.8919 9.8919 9.9152 9.9152 9.9971 9.9971 10.0779 10.0779 10.2365 10.2365 10.5251 10.5251 10.9783 10.9783 11.0753 11.0753 11.8003 11.8003 11.9699 11.9699 k = 0.4024-0.0000-0.0000 ( 7600 PWs) bands (ev): 0.9455 0.9455 1.6395 1.6395 1.6535 1.6535 1.6761 1.6761 5.4898 5.4898 5.7072 5.7072 6.0812 6.0812 6.1427 6.1427 6.5966 6.5966 7.1325 7.1325 7.3033 7.3033 7.6622 7.6622 7.7036 7.7036 7.7365 7.7365 7.9073 7.9073 7.9321 7.9321 8.4855 8.4855 8.8202 8.8202 8.8231 8.8231 8.9210 8.9210 9.0983 9.0983 9.1851 9.1851 9.2207 9.2207 9.4066 9.4066 9.4230 9.4230 9.4603 9.4603 9.4797 9.4797 9.5067 9.5067 9.8882 9.8882 9.9146 9.9146 10.0010 10.0010 10.0738 10.0738 10.2171 10.2171 10.4777 10.4777 10.9726 10.9726 11.0561 11.0561 11.8301 11.8301 11.9855 11.9855 k = 0.4146-0.0000-0.0000 ( 7608 PWs) bands (ev): 1.0090 1.0090 1.6305 1.6305 1.6519 1.6519 1.6749 1.6749 5.5165 5.5165 5.6800 5.6800 6.0181 6.0181 6.0923 6.0923 6.6474 6.6474 7.1933 7.1933 7.2633 7.2633 7.6593 7.6593 7.7065 7.7065 7.7485 7.7485 7.9145 7.9145 7.9514 7.9514 8.4901 8.4901 8.8091 8.8091 8.8257 8.8257 8.9049 8.9049 9.1209 9.1209 9.1937 9.1937 9.2262 9.2262 9.4000 9.4000 9.4194 9.4194 9.4463 9.4463 9.4801 9.4801 9.4982 9.4982 9.8844 9.8844 9.9130 9.9130 10.0060 10.0060 10.0710 10.0710 10.1996 10.1996 10.4309 10.4309 10.9677 10.9677 11.0381 11.0381 11.8600 11.8600 12.0024 12.0024 k = 0.4268-0.0000-0.0000 ( 7602 PWs) bands (ev): 1.0715 1.0715 1.6132 1.6132 1.6535 1.6535 1.6737 1.6737 5.5452 5.5452 5.6603 5.6603 5.9583 5.9583 6.0424 6.0424 6.6973 6.6973 7.2230 7.2230 7.2523 7.2523 7.6539 7.6539 7.7108 7.7108 7.7576 7.7576 7.9206 7.9206 7.9651 7.9651 8.4999 8.4999 8.7928 8.7928 8.8300 8.8300 8.8908 8.8908 9.1439 9.1439 9.2021 9.2021 9.2317 9.2317 9.3907 9.3907 9.4162 9.4162 9.4316 9.4316 9.4811 9.4811 9.4943 9.4943 9.8811 9.8811 9.9102 9.9102 10.0126 10.0126 10.0695 10.0695 10.1842 10.1842 10.3855 10.3855 10.9637 10.9637 11.0216 11.0216 11.8900 11.8900 12.0201 12.0201 k = 0.4390-0.0000-0.0000 ( 7598 PWs) bands (ev): 1.1327 1.1327 1.5902 1.5902 1.6558 1.6558 1.6725 1.6725 5.5758 5.5758 5.6484 5.6484 5.9022 5.9022 5.9933 5.9933 6.7463 6.7463 7.1826 7.1826 7.3090 7.3090 7.6454 7.6454 7.7166 7.7166 7.7636 7.7636 7.9263 7.9263 7.9730 7.9730 8.5150 8.5150 8.7735 8.7735 8.8335 8.8335 8.8790 8.8790 9.1670 9.1670 9.2102 9.2102 9.2367 9.2367 9.3774 9.3774 9.4129 9.4129 9.4205 9.4205 9.4824 9.4824 9.4925 9.4925 9.8787 9.8787 9.9064 9.9064 10.0205 10.0205 10.0692 10.0692 10.1710 10.1710 10.3420 10.3420 10.9606 10.9606 11.0070 11.0070 11.9200 11.9200 12.0381 12.0381 k = 0.4512-0.0000-0.0000 ( 7588 PWs) bands (ev): 1.1922 1.1922 1.5622 1.5622 1.6580 1.6580 1.6713 1.6713 5.6076 5.6076 5.6450 5.6450 5.8503 5.8503 5.9450 5.9450 6.7942 6.7942 7.1420 7.1420 7.3627 7.3627 7.6332 7.6332 7.7235 7.7235 7.7666 7.7666 7.9319 7.9319 7.9755 7.9755 8.5349 8.5349 8.7515 8.7515 8.8365 8.8365 8.8692 8.8692 9.1900 9.1900 9.2182 9.2182 9.2407 9.2407 9.3605 9.3605 9.4092 9.4092 9.4145 9.4145 9.4838 9.4838 9.4916 9.4916 9.8773 9.8773 9.9019 9.9019 10.0297 10.0297 10.0699 10.0699 10.1609 10.1609 10.3011 10.3011 10.9585 10.9585 10.9943 10.9943 11.9499 11.9499 12.0557 12.0557 k = 0.4634-0.0000-0.0000 ( 7586 PWs) bands (ev): 1.2496 1.2496 1.5295 1.5295 1.6601 1.6601 1.6700 1.6700 5.6352 5.6352 5.6553 5.6553 5.8032 5.8032 5.8979 5.8979 6.8410 6.8410 7.1010 7.1010 7.4130 7.4130 7.6168 7.6168 7.7312 7.7312 7.7669 7.7669 7.9377 7.9377 7.9739 7.9739 8.5586 8.5586 8.7269 8.7269 8.8390 8.8390 8.8613 8.8613 9.2121 9.2121 9.2261 9.2261 9.2433 9.2433 9.3414 9.3414 9.4060 9.4060 9.4112 9.4112 9.4853 9.4853 9.4910 9.4910 9.8770 9.8770 9.8969 9.8969 10.0395 10.0395 10.0708 10.0708 10.1549 10.1549 10.2635 10.2635 10.9576 10.9576 10.9837 10.9837 11.9799 11.9799 12.0721 12.0721 k = 0.4756-0.0000-0.0000 ( 7586 PWs) bands (ev): 1.3046 1.3046 1.4923 1.4923 1.6621 1.6621 1.6686 1.6686 5.6514 5.6514 5.6863 5.6863 5.7612 5.7612 5.8521 5.8521 6.8866 6.8866 7.0596 7.0596 7.4593 7.4593 7.5957 7.5957 7.7392 7.7392 7.7646 7.7646 7.9437 7.9437 7.9695 7.9695 8.5853 8.5853 8.7003 8.7003 8.8413 8.8413 8.8551 8.8551 9.2286 9.2286 9.2386 9.2386 9.2442 9.2442 9.3215 9.3215 9.4043 9.4043 9.4086 9.4086 9.4867 9.4867 9.4904 9.4904 9.8780 9.8780 9.8919 9.8919 10.0493 10.0493 10.0710 10.0710 10.1547 10.1547 10.2298 10.2298 10.9580 10.9580 10.9749 10.9749 12.0098 12.0098 12.0864 12.0864 k = 0.4878-0.0000-0.0000 ( 7570 PWs) bands (ev): 1.3567 1.3567 1.4509 1.4509 1.6639 1.6639 1.6671 1.6671 5.6697 5.6697 5.7208 5.7208 5.7283 5.7283 5.8079 5.8079 6.9312 6.9312 7.0176 7.0176 7.5011 7.5011 7.5694 7.5694 7.7470 7.7470 7.7602 7.7602 7.9501 7.9501 7.9635 7.9635 8.6138 8.6138 8.6721 8.6721 8.8438 8.8438 8.8504 8.8504 9.2357 9.2357 9.2432 9.2432 9.2590 9.2590 9.3010 9.3010 9.4041 9.4041 9.4065 9.4065 9.4879 9.4879 9.4898 9.4898 9.8801 9.8801 9.8873 9.8873 10.0579 10.0579 10.0691 10.0691 10.1623 10.1623 10.2009 10.2009 10.9598 10.9598 10.9681 10.9681 12.0397 12.0397 12.0936 12.0939 k = 0.5000-0.0000-0.0000 ( 7580 PWs) bands (ev): 1.4056 1.4056 1.4056 1.4056 1.6656 1.6656 1.6656 1.6656 5.6939 5.6939 5.6939 5.6939 5.7653 5.7653 5.7653 5.7653 6.9748 6.9748 6.9748 6.9748 7.5378 7.5378 7.5378 7.5378 7.7542 7.7542 7.7542 7.7542 7.9568 7.9568 7.9568 7.9568 8.6430 8.6430 8.6430 8.6430 8.8467 8.8467 8.8467 8.8467 9.2403 9.2403 9.2403 9.2403 9.2801 9.2801 9.2801 9.2801 9.4049 9.4049 9.4049 9.4049 9.4889 9.4889 9.4889 9.4889 9.8832 9.8832 9.8832 9.8832 10.0647 10.0647 10.0647 10.0647 10.1780 10.1780 10.1780 10.1780 10.9631 10.9631 10.9631 10.9631 12.0692 12.0692 12.0692 12.0692 k = 0.5000-0.0000-0.0000 ( 7580 PWs) bands (ev): 1.4056 1.4056 1.4056 1.4056 1.6656 1.6656 1.6656 1.6656 5.6939 5.6939 5.6939 5.6939 5.7653 5.7653 5.7653 5.7653 6.9748 6.9748 6.9748 6.9748 7.5378 7.5378 7.5378 7.5378 7.7542 7.7542 7.7542 7.7542 7.9568 7.9568 7.9568 7.9568 8.6430 8.6430 8.6430 8.6430 8.8467 8.8467 8.8467 8.8467 9.2403 9.2403 9.2403 9.2403 9.2801 9.2801 9.2801 9.2801 9.4049 9.4049 9.4049 9.4049 9.4889 9.4889 9.4889 9.4889 9.8832 9.8832 9.8832 9.8832 10.0647 10.0647 10.0647 10.0647 10.1780 10.1780 10.1780 10.1780 10.9631 10.9631 10.9631 10.9631 12.0692 12.0692 12.0692 12.0692 k = 0.5000 0.0120-0.0000 ( 7578 PWs) bands (ev): 1.4059 1.4059 1.4059 1.4059 1.6654 1.6654 1.6654 1.6654 5.6936 5.6936 5.6936 5.6936 5.7654 5.7654 5.7654 5.7654 6.9764 6.9764 6.9764 6.9764 7.5365 7.5365 7.5365 7.5365 7.7536 7.7536 7.7536 7.7536 7.9569 7.9569 7.9569 7.9569 8.6435 8.6435 8.6435 8.6435 8.8465 8.8465 8.8465 8.8465 9.2402 9.2402 9.2402 9.2402 9.2805 9.2805 9.2805 9.2805 9.4050 9.4050 9.4050 9.4050 9.4885 9.4885 9.4885 9.4885 9.8832 9.8832 9.8832 9.8832 10.0648 10.0648 10.0648 10.0648 10.1779 10.1779 10.1779 10.1779 10.9614 10.9614 10.9614 10.9614 12.0665 12.0665 12.0665 12.0665 k = 0.5000 0.0239-0.0000 ( 7590 PWs) bands (ev): 1.4068 1.4068 1.4068 1.4068 1.6647 1.6647 1.6647 1.6647 5.6928 5.6928 5.6928 5.6928 5.7656 5.7656 5.7656 5.7656 6.9810 6.9810 6.9810 6.9810 7.5325 7.5325 7.5325 7.5325 7.7519 7.7519 7.7519 7.7519 7.9570 7.9570 7.9570 7.9570 8.6450 8.6450 8.6450 8.6450 8.8458 8.8458 8.8458 8.8458 9.2399 9.2399 9.2399 9.2399 9.2815 9.2815 9.2815 9.2815 9.4051 9.4051 9.4051 9.4051 9.4870 9.4870 9.4870 9.4870 9.8833 9.8833 9.8833 9.8833 10.0651 10.0651 10.0651 10.0651 10.1778 10.1778 10.1778 10.1778 10.9565 10.9565 10.9565 10.9565 12.0568 12.0568 12.0569 12.0569 k = 0.5000 0.0359-0.0000 ( 7586 PWs) bands (ev): 1.4083 1.4083 1.4083 1.4083 1.6636 1.6636 1.6636 1.6636 5.6915 5.6915 5.6915 5.6915 5.7660 5.7660 5.7660 5.7660 6.9886 6.9886 6.9886 6.9886 7.5260 7.5260 7.5260 7.5260 7.7491 7.7491 7.7491 7.7491 7.9571 7.9571 7.9571 7.9571 8.6475 8.6475 8.6475 8.6475 8.8446 8.8446 8.8446 8.8446 9.2394 9.2394 9.2394 9.2394 9.2830 9.2830 9.2830 9.2830 9.4052 9.4052 9.4052 9.4052 9.4846 9.4846 9.4846 9.4846 9.8834 9.8834 9.8834 9.8834 10.0654 10.0654 10.0654 10.0654 10.1779 10.1779 10.1779 10.1779 10.9484 10.9484 10.9484 10.9484 12.0367 12.0367 12.0368 12.0369 k = 0.5000 0.0479-0.0000 ( 7586 PWs) bands (ev): 1.4104 1.4104 1.4104 1.4104 1.6620 1.6620 1.6620 1.6620 5.6897 5.6897 5.6897 5.6897 5.7665 5.7665 5.7665 5.7665 6.9990 6.9990 6.9990 6.9990 7.5173 7.5173 7.5173 7.5173 7.7454 7.7454 7.7454 7.7454 7.9569 7.9569 7.9569 7.9569 8.6512 8.6512 8.6512 8.6512 8.8432 8.8432 8.8432 8.8432 9.2388 9.2388 9.2388 9.2388 9.2851 9.2851 9.2851 9.2851 9.4052 9.4052 9.4052 9.4052 9.4812 9.4812 9.4812 9.4812 9.8835 9.8835 9.8835 9.8835 10.0655 10.0655 10.0655 10.0655 10.1785 10.1785 10.1785 10.1785 10.9375 10.9375 10.9375 10.9375 12.0103 12.0103 12.0104 12.0104 k = 0.5000 0.0598-0.0000 ( 7598 PWs) bands (ev): 1.4131 1.4131 1.4131 1.4131 1.6600 1.6600 1.6600 1.6600 5.6876 5.6876 5.6876 5.6876 5.7670 5.7670 5.7670 5.7670 7.0120 7.0120 7.0120 7.0120 7.5067 7.5067 7.5067 7.5067 7.7406 7.7406 7.7406 7.7406 7.9563 7.9563 7.9563 7.9563 8.6561 8.6561 8.6561 8.6561 8.8415 8.8415 8.8415 8.8415 9.2382 9.2382 9.2382 9.2382 9.2874 9.2874 9.2874 9.2874 9.4050 9.4050 9.4050 9.4050 9.4767 9.4767 9.4767 9.4767 9.8837 9.8837 9.8837 9.8837 10.0651 10.0651 10.0651 10.0651 10.1800 10.1800 10.1800 10.1800 10.9240 10.9240 10.9240 10.9240 11.9830 11.9830 11.9830 11.9830 k = 0.5000 0.0718-0.0000 ( 7602 PWs) bands (ev): 1.4163 1.4163 1.4163 1.4163 1.6576 1.6576 1.6576 1.6576 5.6853 5.6853 5.6853 5.6853 5.7676 5.7676 5.7676 5.7676 7.0274 7.0274 7.0274 7.0274 7.4946 7.4946 7.4946 7.4946 7.7351 7.7351 7.7351 7.7351 7.9549 7.9549 7.9549 7.9549 8.6623 8.6623 8.6623 8.6623 8.8398 8.8398 8.8398 8.8398 9.2374 9.2374 9.2374 9.2374 9.2898 9.2898 9.2898 9.2898 9.4044 9.4044 9.4044 9.4044 9.4713 9.4713 9.4713 9.4713 9.8841 9.8841 9.8841 9.8841 10.0637 10.0637 10.0637 10.0637 10.1828 10.1828 10.1828 10.1828 10.9084 10.9084 10.9084 10.9084 11.9563 11.9563 11.9563 11.9563 k = 0.5000 0.0838-0.0000 ( 7596 PWs) bands (ev): 1.4201 1.4201 1.4201 1.4201 1.6548 1.6548 1.6548 1.6548 5.6829 5.6829 5.6829 5.6829 5.7682 5.7682 5.7682 5.7682 7.0448 7.0448 7.0448 7.0448 7.4813 7.4813 7.4813 7.4813 7.7289 7.7289 7.7289 7.7289 7.9526 7.9526 7.9526 7.9526 8.6699 8.6699 8.6699 8.6699 8.8382 8.8382 8.8382 8.8382 9.2366 9.2366 9.2366 9.2366 9.2923 9.2923 9.2923 9.2923 9.4031 9.4031 9.4031 9.4031 9.4648 9.4648 9.4648 9.4648 9.8845 9.8845 9.8845 9.8845 10.0611 10.0611 10.0611 10.0611 10.1874 10.1874 10.1874 10.1874 10.8909 10.8909 10.8909 10.8909 11.9308 11.9308 11.9308 11.9308 k = 0.5000 0.0957-0.0000 ( 7596 PWs) bands (ev): 1.4243 1.4243 1.4243 1.4243 1.6516 1.6516 1.6516 1.6516 5.6805 5.6805 5.6805 5.6805 5.7686 5.7686 5.7686 5.7686 7.0640 7.0640 7.0640 7.0640 7.4673 7.4673 7.4673 7.4673 7.7223 7.7223 7.7223 7.7223 7.9492 7.9492 7.9492 7.9492 8.6789 8.6789 8.6789 8.6789 8.8369 8.8369 8.8369 8.8369 9.2357 9.2357 9.2357 9.2357 9.2945 9.2945 9.2945 9.2945 9.4012 9.4012 9.4012 9.4012 9.4572 9.4572 9.4572 9.4572 9.8851 9.8851 9.8851 9.8851 10.0572 10.0572 10.0572 10.0572 10.1940 10.1940 10.1940 10.1940 10.8719 10.8719 10.8719 10.8719 11.9065 11.9065 11.9065 11.9065 k = 0.5000 0.1077-0.0000 ( 7604 PWs) bands (ev): 1.4291 1.4291 1.4291 1.4291 1.6479 1.6479 1.6479 1.6479 5.6782 5.6782 5.6782 5.6782 5.7689 5.7689 5.7689 5.7689 7.0845 7.0845 7.0845 7.0845 7.4528 7.4528 7.4528 7.4528 7.7153 7.7153 7.7153 7.7153 7.9446 7.9446 7.9446 7.9446 8.6894 8.6894 8.6894 8.6894 8.8360 8.8360 8.8360 8.8360 9.2346 9.2346 9.2346 9.2346 9.2963 9.2963 9.2963 9.2963 9.3984 9.3984 9.3984 9.3984 9.4486 9.4486 9.4486 9.4486 9.8859 9.8859 9.8859 9.8859 10.0518 10.0518 10.0518 10.0518 10.2027 10.2027 10.2027 10.2027 10.8519 10.8519 10.8519 10.8519 11.8837 11.8837 11.8837 11.8837 k = 0.5000 0.1197-0.0000 ( 7620 PWs) bands (ev): 1.4343 1.4343 1.4343 1.4343 1.6439 1.6439 1.6439 1.6439 5.6762 5.6762 5.6762 5.6762 5.7690 5.7690 5.7690 5.7690 7.1060 7.1060 7.1060 7.1060 7.4381 7.4381 7.4381 7.4381 7.7083 7.7083 7.7083 7.7083 7.9388 7.9388 7.9388 7.9388 8.7012 8.7012 8.7012 8.7012 8.8357 8.8357 8.8357 8.8357 9.2335 9.2335 9.2335 9.2335 9.2977 9.2977 9.2977 9.2977 9.3946 9.3946 9.3946 9.3946 9.4389 9.4389 9.4389 9.4389 9.8868 9.8868 9.8868 9.8868 10.0453 10.0453 10.0453 10.0453 10.2135 10.2135 10.2135 10.2135 10.8311 10.8311 10.8311 10.8311 11.8622 11.8622 11.8622 11.8622 k = 0.5000 0.1316-0.0000 ( 7624 PWs) bands (ev): 1.4400 1.4400 1.4400 1.4400 1.6394 1.6394 1.6394 1.6394 5.6746 5.6746 5.6746 5.6746 5.7687 5.7687 5.7687 5.7687 7.1280 7.1280 7.1280 7.1280 7.4237 7.4237 7.4237 7.4237 7.7016 7.7016 7.7016 7.7016 7.9317 7.9317 7.9317 7.9317 8.7143 8.7143 8.7143 8.7143 8.8361 8.8361 8.8361 8.8361 9.2321 9.2321 9.2321 9.2321 9.2984 9.2984 9.2984 9.2984 9.3898 9.3898 9.3898 9.3898 9.4282 9.4282 9.4282 9.4282 9.8879 9.8879 9.8879 9.8879 10.0377 10.0377 10.0377 10.0377 10.2262 10.2262 10.2262 10.2262 10.8098 10.8098 10.8098 10.8098 11.8421 11.8421 11.8421 11.8422 k = 0.5000 0.1436-0.0000 ( 7624 PWs) bands (ev): 1.4461 1.4461 1.4461 1.4461 1.6346 1.6346 1.6346 1.6346 5.6734 5.6734 5.6734 5.6734 5.7681 5.7681 5.7681 5.7681 7.1501 7.1501 7.1501 7.1501 7.4097 7.4097 7.4097 7.4097 7.6953 7.6953 7.6953 7.6953 7.9235 7.9235 7.9235 7.9235 8.7287 8.7287 8.7287 8.7287 8.8374 8.8374 8.8374 8.8374 9.2304 9.2304 9.2304 9.2304 9.2983 9.2983 9.2983 9.2983 9.3840 9.3840 9.3840 9.3840 9.4168 9.4168 9.4168 9.4168 9.8893 9.8893 9.8893 9.8893 10.0294 10.0294 10.0294 10.0294 10.2408 10.2408 10.2408 10.2408 10.7883 10.7883 10.7883 10.7883 11.8236 11.8236 11.8236 11.8236 k = 0.5000 0.1556-0.0000 ( 7622 PWs) bands (ev): 1.4525 1.4525 1.4525 1.4525 1.6295 1.6295 1.6295 1.6295 5.6728 5.6728 5.6728 5.6728 5.7670 5.7670 5.7670 5.7670 7.1718 7.1718 7.1718 7.1718 7.3964 7.3964 7.3964 7.3964 7.6898 7.6898 7.6898 7.6898 7.9142 7.9142 7.9142 7.9142 8.7441 8.7441 8.7441 8.7441 8.8398 8.8398 8.8398 8.8398 9.2284 9.2284 9.2284 9.2284 9.2973 9.2973 9.2973 9.2973 9.3772 9.3772 9.3772 9.3772 9.4048 9.4048 9.4048 9.4048 9.8909 9.8909 9.8909 9.8909 10.0206 10.0206 10.0206 10.0206 10.2568 10.2568 10.2568 10.2568 10.7666 10.7666 10.7666 10.7666 11.8066 11.8066 11.8066 11.8066 k = 0.5000 0.1675-0.0000 ( 7622 PWs) bands (ev): 1.4593 1.4593 1.4593 1.4593 1.6240 1.6240 1.6240 1.6240 5.6728 5.6728 5.6728 5.6728 5.7654 5.7654 5.7654 5.7654 7.1926 7.1926 7.1926 7.1926 7.3840 7.3840 7.3840 7.3840 7.6854 7.6854 7.6854 7.6854 7.9039 7.9039 7.9039 7.9039 8.7603 8.7603 8.7603 8.7603 8.8432 8.8432 8.8432 8.8432 9.2260 9.2260 9.2260 9.2260 9.2951 9.2951 9.2951 9.2951 9.3694 9.3694 9.3694 9.3694 9.3926 9.3926 9.3926 9.3926 9.8927 9.8927 9.8927 9.8927 10.0115 10.0115 10.0115 10.0115 10.2742 10.2742 10.2742 10.2742 10.7449 10.7449 10.7449 10.7449 11.7912 11.7912 11.7912 11.7912 k = 0.5000 0.1795-0.0000 ( 7634 PWs) bands (ev): 1.4664 1.4664 1.4664 1.4664 1.6181 1.6181 1.6181 1.6181 5.6735 5.6735 5.6735 5.6735 5.7633 5.7633 5.7633 5.7633 7.2120 7.2120 7.2120 7.2120 7.3726 7.3726 7.3726 7.3726 7.6825 7.6825 7.6825 7.6825 7.8928 7.8928 7.8928 7.8928 8.7772 8.7772 8.7772 8.7772 8.8478 8.8478 8.8478 8.8478 9.2229 9.2229 9.2229 9.2229 9.2913 9.2913 9.2913 9.2913 9.3609 9.3609 9.3609 9.3609 9.3810 9.3810 9.3810 9.3810 9.8948 9.8948 9.8948 9.8948 10.0024 10.0024 10.0024 10.0024 10.2927 10.2927 10.2927 10.2927 10.7232 10.7232 10.7232 10.7232 11.7775 11.7775 11.7775 11.7775 k = 0.5000 0.1915-0.0000 ( 7626 PWs) bands (ev): 1.4737 1.4737 1.4737 1.4737 1.6120 1.6120 1.6120 1.6120 5.6750 5.6750 5.6750 5.6750 5.7606 5.7606 5.7606 5.7606 7.2297 7.2297 7.2297 7.2297 7.3625 7.3625 7.3625 7.3625 7.6814 7.6814 7.6814 7.6814 7.8809 7.8809 7.8809 7.8809 8.7945 8.7945 8.7945 8.7945 8.8536 8.8536 8.8536 8.8536 9.2193 9.2193 9.2193 9.2193 9.2854 9.2854 9.2854 9.2854 9.3519 9.3519 9.3519 9.3519 9.3703 9.3703 9.3703 9.3703 9.8970 9.8970 9.8970 9.8970 9.9933 9.9933 9.9933 9.9933 10.3122 10.3122 10.3122 10.3122 10.7016 10.7016 10.7016 10.7016 11.7657 11.7657 11.7657 11.7657 k = 0.5000 0.2034-0.0000 ( 7634 PWs) bands (ev): 1.4813 1.4813 1.4813 1.4813 1.6056 1.6056 1.6056 1.6056 5.6771 5.6771 5.6771 5.6771 5.7573 5.7573 5.7573 5.7573 7.2453 7.2453 7.2453 7.2453 7.3536 7.3536 7.3536 7.3536 7.6821 7.6821 7.6821 7.6821 7.8683 7.8683 7.8683 7.8683 8.8119 8.8119 8.8119 8.8119 8.8605 8.8605 8.8605 8.8605 9.2149 9.2149 9.2149 9.2149 9.2770 9.2770 9.2770 9.2770 9.3433 9.3433 9.3433 9.3433 9.3609 9.3609 9.3609 9.3609 9.8996 9.8996 9.8996 9.8996 9.9845 9.9845 9.9845 9.9845 10.3324 10.3324 10.3324 10.3324 10.6801 10.6801 10.6801 10.6801 11.7557 11.7557 11.7557 11.7557 k = 0.5000 0.2154-0.0000 ( 7648 PWs) bands (ev): 1.4890 1.4890 1.4890 1.4890 1.5989 1.5989 1.5989 1.5989 5.6799 5.6799 5.6799 5.6799 5.7535 5.7535 5.7535 5.7535 7.2586 7.2586 7.2586 7.2586 7.3460 7.3460 7.3460 7.3460 7.6851 7.6851 7.6851 7.6851 7.8552 7.8552 7.8552 7.8552 8.8291 8.8291 8.8291 8.8291 8.8684 8.8684 8.8684 8.8684 9.2097 9.2097 9.2097 9.2097 9.2659 9.2659 9.2659 9.2659 9.3359 9.3359 9.3359 9.3359 9.3528 9.3528 9.3528 9.3528 9.9023 9.9023 9.9023 9.9023 9.9760 9.9760 9.9760 9.9760 10.3532 10.3532 10.3532 10.3532 10.6587 10.6587 10.6587 10.6587 11.7476 11.7476 11.7476 11.7476 k = 0.5000 0.2274-0.0000 ( 7640 PWs) bands (ev): 1.4969 1.4969 1.4969 1.4969 1.5919 1.5919 1.5919 1.5919 5.6834 5.6834 5.6834 5.6834 5.7491 5.7491 5.7491 5.7491 7.2693 7.2693 7.2693 7.2693 7.3398 7.3398 7.3398 7.3398 7.6901 7.6901 7.6901 7.6901 7.8416 7.8416 7.8416 7.8416 8.8457 8.8457 8.8457 8.8457 8.8770 8.8770 8.8770 8.8770 9.2040 9.2040 9.2040 9.2040 9.2528 9.2528 9.2528 9.2528 9.3299 9.3299 9.3299 9.3299 9.3460 9.3460 9.3460 9.3460 9.9053 9.9053 9.9053 9.9053 9.9679 9.9679 9.9679 9.9679 10.3746 10.3746 10.3746 10.3746 10.6373 10.6373 10.6373 10.6373 11.7416 11.7416 11.7416 11.7416 k = 0.5000 0.2394-0.0000 ( 7648 PWs) bands (ev): 1.5049 1.5049 1.5049 1.5049 1.5848 1.5848 1.5848 1.5848 5.6875 5.6875 5.6875 5.6875 5.7443 5.7443 5.7443 5.7443 7.2776 7.2776 7.2776 7.2776 7.3349 7.3349 7.3349 7.3349 7.6973 7.6973 7.6973 7.6973 7.8277 7.8277 7.8277 7.8277 8.8613 8.8613 8.8613 8.8613 8.8860 8.8860 8.8860 8.8860 9.1980 9.1980 9.1980 9.1980 9.2384 9.2384 9.2384 9.2384 9.3253 9.3253 9.3253 9.3253 9.3405 9.3405 9.3405 9.3405 9.9086 9.9086 9.9086 9.9086 9.9602 9.9602 9.9602 9.9602 10.3963 10.3963 10.3963 10.3963 10.6159 10.6159 10.6159 10.6159 11.7375 11.7375 11.7375 11.7375 k = 0.5000 0.2513-0.0000 ( 7636 PWs) bands (ev): 1.5130 1.5130 1.5130 1.5130 1.5774 1.5774 1.5774 1.5774 5.6921 5.6921 5.6921 5.6921 5.7390 5.7390 5.7390 5.7390 7.2837 7.2837 7.2837 7.2837 7.3312 7.3312 7.3312 7.3312 7.7063 7.7063 7.7063 7.7063 7.8136 7.8136 7.8136 7.8136 8.8754 8.8754 8.8754 8.8754 8.8949 8.8949 8.8949 8.8949 9.1921 9.1921 9.1921 9.1921 9.2239 9.2239 9.2239 9.2239 9.3218 9.3218 9.3218 9.3218 9.3361 9.3361 9.3361 9.3361 9.9121 9.9121 9.9121 9.9121 9.9531 9.9531 9.9531 9.9531 10.4182 10.4182 10.4182 10.4182 10.5944 10.5944 10.5944 10.5944 11.7354 11.7354 11.7354 11.7354 k = 0.5000 0.2633-0.0000 ( 7624 PWs) bands (ev): 1.5211 1.5211 1.5211 1.5211 1.5699 1.5699 1.5699 1.5699 5.6972 5.6972 5.6972 5.6972 5.7335 5.7335 5.7335 5.7335 7.2878 7.2878 7.2878 7.2878 7.3287 7.3287 7.3287 7.3287 7.7169 7.7169 7.7169 7.7169 7.7992 7.7992 7.7992 7.7992 8.8874 8.8874 8.8874 8.8874 8.9030 8.9030 8.9030 8.9030 9.1870 9.1870 9.1870 9.1870 9.2104 9.2104 9.2104 9.2104 9.3191 9.3191 9.3191 9.3191 9.3329 9.3329 9.3329 9.3329 9.9159 9.9159 9.9159 9.9159 9.9465 9.9465 9.9465 9.9465 10.4402 10.4402 10.4402 10.4402 10.5729 10.5729 10.5729 10.5729 11.7352 11.7352 11.7352 11.7352 k = 0.5000 0.2753-0.0000 ( 7628 PWs) bands (ev): 1.5291 1.5291 1.5291 1.5291 1.5623 1.5623 1.5623 1.5623 5.7026 5.7026 5.7026 5.7026 5.7277 5.7277 5.7277 5.7277 7.2904 7.2904 7.2904 7.2904 7.3270 7.3270 7.3270 7.3270 7.7287 7.7287 7.7287 7.7287 7.7849 7.7849 7.7849 7.7849 8.8966 8.8966 8.8966 8.8966 8.9097 8.9097 8.9097 8.9097 9.1835 9.1835 9.1835 9.1835 9.1988 9.1988 9.1988 9.1988 9.3173 9.3173 9.3173 9.3173 9.3307 9.3307 9.3307 9.3307 9.9200 9.9200 9.9200 9.9200 9.9403 9.9403 9.9403 9.9403 10.4622 10.4622 10.4622 10.4622 10.5513 10.5513 10.5513 10.5513 11.7367 11.7367 11.7367 11.7367 k = 0.5000 0.2872-0.0000 ( 7620 PWs) bands (ev): 1.5368 1.5368 1.5368 1.5368 1.5548 1.5548 1.5548 1.5548 5.7080 5.7080 5.7080 5.7080 5.7221 5.7221 5.7221 5.7221 7.2918 7.2918 7.2918 7.2918 7.3261 7.3261 7.3261 7.3261 7.7413 7.7413 7.7413 7.7413 7.7710 7.7710 7.7710 7.7710 8.9025 8.9025 8.9025 8.9025 8.9140 8.9140 8.9140 8.9140 9.1824 9.1824 9.1824 9.1824 9.1900 9.1900 9.1900 9.1900 9.3162 9.3162 9.3162 9.3162 9.3294 9.3294 9.3294 9.3294 9.9245 9.9245 9.9245 9.9245 9.9346 9.9346 9.9346 9.9346 10.4839 10.4839 10.4839 10.4839 10.5300 10.5300 10.5300 10.5300 11.7394 11.7394 11.7395 11.7395 k = 0.5000 0.2992-0.0000 ( 7620 PWs) bands (ev): 1.5418 1.5418 1.5418 1.5418 1.5499 1.5499 1.5499 1.5499 5.7114 5.7114 5.7114 5.7114 5.7187 5.7187 5.7187 5.7187 7.2923 7.2923 7.2923 7.2923 7.3258 7.3258 7.3258 7.3258 7.7507 7.7507 7.7507 7.7507 7.7611 7.7611 7.7611 7.7611 8.9045 8.9045 8.9045 8.9045 8.9156 8.9156 8.9156 8.9156 9.1839 9.1839 9.1839 9.1839 9.1851 9.1851 9.1851 9.1851 9.3159 9.3159 9.3159 9.3159 9.3290 9.3290 9.3290 9.3290 9.9292 9.9292 9.9292 9.9292 9.9294 9.9294 9.9294 9.9294 10.5004 10.5004 10.5004 10.5004 10.5136 10.5136 10.5136 10.5136 11.7414 11.7414 11.7415 11.7419 k = 0.5000 0.2992-0.0000 ( 7620 PWs) bands (ev): 1.5418 1.5418 1.5418 1.5418 1.5499 1.5499 1.5499 1.5499 5.7114 5.7114 5.7114 5.7114 5.7187 5.7187 5.7187 5.7187 7.2923 7.2923 7.2923 7.2923 7.3258 7.3258 7.3258 7.3258 7.7507 7.7507 7.7507 7.7507 7.7611 7.7611 7.7611 7.7611 8.9045 8.9045 8.9045 8.9045 8.9156 8.9156 8.9156 8.9156 9.1839 9.1839 9.1839 9.1839 9.1851 9.1851 9.1851 9.1851 9.3159 9.3159 9.3159 9.3159 9.3290 9.3290 9.3290 9.3290 9.9292 9.9292 9.9292 9.9292 9.9294 9.9294 9.9294 9.9294 10.5004 10.5004 10.5004 10.5004 10.5136 10.5136 10.5136 10.5136 11.7414 11.7414 11.7415 11.7418 k = 0.4878 0.2992-0.0000 ( 7620 PWs) bands (ev): 1.5164 1.5164 1.5240 1.5240 1.5651 1.5651 1.5736 1.5736 5.6978 5.6978 5.7041 5.7041 5.7274 5.7274 5.7356 5.7356 7.2475 7.2475 7.2827 7.2827 7.3358 7.3358 7.3676 7.3676 7.7404 7.7404 7.7511 7.7511 7.7617 7.7617 7.7717 7.7717 8.8956 8.8956 8.9064 8.9064 8.9139 8.9139 8.9251 8.9251 9.1658 9.1658 9.1694 9.1694 9.1996 9.1996 9.2015 9.2015 9.2967 9.2967 9.3121 9.3121 9.3358 9.3358 9.3470 9.3470 9.9216 9.9216 9.9222 9.9222 9.9387 9.9387 9.9388 9.9388 10.4862 10.4862 10.4998 10.4998 10.5154 10.5154 10.5281 10.5281 11.7272 11.7272 11.7394 11.7395 k = 0.4756 0.2992-0.0000 ( 7624 PWs) bands (ev): 1.4890 1.4890 1.4962 1.4962 1.5862 1.5862 1.5951 1.5951 5.6866 5.6866 5.6920 5.6920 5.7458 5.7458 5.7548 5.7548 7.2020 7.2020 7.2386 7.2386 7.3776 7.3776 7.4075 7.4075 7.7308 7.7308 7.7416 7.7416 7.7731 7.7731 7.7825 7.7825 8.8872 8.8872 8.8977 8.8977 8.9238 8.9238 8.9350 8.9350 9.1476 9.1476 9.1531 9.1531 9.2121 9.2121 9.2183 9.2183 9.2786 9.2786 9.2970 9.2970 9.3564 9.3564 9.3659 9.3659 9.9162 9.9162 9.9173 9.9173 9.9500 9.9500 9.9501 9.9501 10.4728 10.4728 10.4867 10.4867 10.5312 10.5312 10.5433 10.5433 11.7124 11.7124 11.7251 11.7251 k = 0.4634 0.2992-0.0000 ( 7628 PWs) bands (ev): 1.4598 1.4598 1.4665 1.4665 1.6050 1.6050 1.6143 1.6143 5.6777 5.6777 5.6822 5.6822 5.7666 5.7666 5.7763 5.7763 7.1563 7.1563 7.1941 7.1941 7.4174 7.4174 7.4452 7.4452 7.7222 7.7222 7.7329 7.7329 7.7847 7.7847 7.7935 7.7935 8.8793 8.8793 8.8893 8.8893 8.9343 8.9343 8.9454 8.9454 9.1298 9.1298 9.1367 9.1367 9.2212 9.2212 9.2326 9.2326 9.2630 9.2630 9.2851 9.2851 9.3775 9.3775 9.3855 9.3855 9.9129 9.9129 9.9145 9.9145 9.9629 9.9629 9.9631 9.9631 10.4604 10.4604 10.4744 10.4744 10.5477 10.5477 10.5592 10.5592 11.6970 11.6970 11.7103 11.7103 k = 0.4512 0.2992-0.0000 ( 7624 PWs) bands (ev): 1.4287 1.4287 1.4350 1.4350 1.6216 1.6216 1.6312 1.6312 5.6711 5.6711 5.6746 5.6746 5.7896 5.7896 5.8000 5.8000 7.1108 7.1108 7.1497 7.1497 7.4546 7.4546 7.4802 7.4802 7.7148 7.7148 7.7250 7.7250 7.7964 7.7964 7.8045 7.8045 8.8718 8.8718 8.8813 8.8813 8.9452 8.9452 8.9562 8.9562 9.1126 9.1126 9.1204 9.1204 9.2244 9.2244 9.2348 9.2348 9.2596 9.2596 9.2789 9.2789 9.3989 9.3989 9.4056 9.4056 9.9120 9.9120 9.9141 9.9141 9.9772 9.9772 9.9779 9.9779 10.4490 10.4490 10.4629 10.4629 10.5649 10.5649 10.5756 10.5756 11.6812 11.6812 11.6951 11.6951 k = 0.4390 0.2992-0.0000 ( 7626 PWs) bands (ev): 1.3961 1.3961 1.4019 1.4019 1.6359 1.6359 1.6458 1.6458 5.6664 5.6664 5.6690 5.6690 5.8147 5.8147 5.8256 5.8256 7.0661 7.0661 7.1060 7.1060 7.4890 7.4890 7.5121 7.5121 7.7087 7.7087 7.7181 7.7181 7.8077 7.8077 7.8153 7.8153 8.8647 8.8647 8.8735 8.8735 8.9567 8.9567 8.9673 8.9673 9.0965 9.0965 9.1049 9.1049 9.2201 9.2201 9.2223 9.2223 9.2708 9.2708 9.2797 9.2797 9.4206 9.4206 9.4261 9.4261 9.9134 9.9134 9.9157 9.9157 9.9927 9.9927 9.9942 9.9942 10.4386 10.4386 10.4522 10.4522 10.5827 10.5827 10.5926 10.5926 11.6652 11.6652 11.6796 11.6796 k = 0.4268 0.2992-0.0000 ( 7628 PWs) bands (ev): 1.3620 1.3620 1.3674 1.3674 1.6478 1.6478 1.6581 1.6581 5.6634 5.6634 5.6652 5.6652 5.8415 5.8415 5.8528 5.8528 7.0231 7.0231 7.0638 7.0638 7.5201 7.5201 7.5405 7.5405 7.7042 7.7042 7.7124 7.7124 7.8186 7.8186 7.8256 7.8256 8.8581 8.8581 8.8661 8.8661 8.9684 8.9684 8.9785 8.9785 9.0820 9.0820 9.0905 9.0905 9.2079 9.2079 9.2109 9.2109 9.2838 9.2838 9.2852 9.2852 9.4425 9.4425 9.4469 9.4469 9.9171 9.9171 9.9194 9.9194 10.0092 10.0092 10.0116 10.0116 10.4293 10.4293 10.4425 10.4425 10.6011 10.6011 10.6101 10.6101 11.6492 11.6492 11.6640 11.6640 k = 0.4146 0.2992-0.0000 ( 7632 PWs) bands (ev): 1.3266 1.3266 1.3315 1.3315 1.6575 1.6575 1.6681 1.6681 5.6619 5.6619 5.6628 5.6628 5.8698 5.8698 5.8814 5.8814 6.9823 6.9823 7.0236 7.0236 7.5476 7.5476 7.5648 7.5648 7.7016 7.7016 7.7080 7.7080 7.8285 7.8285 7.8352 7.8352 8.8518 8.8518 8.8588 8.8588 8.9802 8.9802 8.9894 8.9894 9.0698 9.0698 9.0780 9.0780 9.1939 9.1939 9.2000 9.2000 9.2925 9.2925 9.2964 9.2964 9.4644 9.4644 9.4679 9.4679 9.9231 9.9231 9.9250 9.9250 10.0264 10.0264 10.0301 10.0301 10.4212 10.4212 10.4337 10.4337 10.6200 10.6200 10.6281 10.6281 11.6332 11.6332 11.6485 11.6485 k = 0.4024 0.2992-0.0000 ( 7632 PWs) bands (ev): 1.2901 1.2901 1.2946 1.2946 1.6650 1.6650 1.6758 1.6758 5.6613 5.6613 5.6616 5.6616 5.8992 5.8992 5.9111 5.9111 6.9446 6.9446 6.9865 6.9865 7.5709 7.5709 7.5845 7.5845 7.7014 7.7014 7.7049 7.7049 7.8374 7.8374 7.8441 7.8441 8.8458 8.8458 8.8517 8.8517 8.9913 8.9913 8.9990 8.9990 9.0613 9.0613 9.0683 9.0683 9.1808 9.1808 9.1887 9.1887 9.3003 9.3003 9.3082 9.3082 9.4864 9.4864 9.4891 9.4891 9.9311 9.9311 9.9321 9.9321 10.0443 10.0443 10.0493 10.0493 10.4145 10.4145 10.4259 10.4259 10.6393 10.6393 10.6464 10.6464 11.6176 11.6176 11.6334 11.6334 k = 0.3902 0.2992-0.0000 ( 7632 PWs) bands (ev): 1.2526 1.2526 1.2567 1.2567 1.6703 1.6703 1.6813 1.6813 5.6609 5.6609 5.6613 5.6613 5.9294 5.9294 5.9413 5.9413 6.9110 6.9110 6.9531 6.9531 7.5898 7.5898 7.5993 7.5993 7.7034 7.7034 7.7036 7.7036 7.8451 7.8451 7.8521 7.8521 8.8401 8.8401 8.8448 8.8448 9.0002 9.0002 9.0052 9.0052 9.0587 9.0587 9.0632 9.0632 9.1686 9.1686 9.1778 9.1778 9.3080 9.3080 9.3192 9.3192 9.5084 9.5084 9.5101 9.5101 9.9405 9.9405 9.9410 9.9410 10.0627 10.0627 10.0690 10.0690 10.4091 10.4091 10.4192 10.4192 10.6590 10.6590 10.6651 10.6651 11.6026 11.6026 11.6187 11.6187 k = 0.3780 0.2992-0.0000 ( 7644 PWs) bands (ev): 1.2143 1.2143 1.2180 1.2180 1.6735 1.6735 1.6846 1.6846 5.6604 5.6604 5.6611 5.6611 5.9599 5.9599 5.9717 5.9717 6.8825 6.8825 6.9246 6.9246 7.6042 7.6042 7.6093 7.6093 7.7033 7.7033 7.7080 7.7080 7.8513 7.8513 7.8593 7.8593 8.8346 8.8346 8.8381 8.8381 9.0047 9.0047 9.0063 9.0063 9.0639 9.0639 9.0650 9.0650 9.1576 9.1576 9.1677 9.1677 9.3157 9.3157 9.3296 9.3296 9.5301 9.5301 9.5311 9.5311 9.9501 9.9501 9.9523 9.9523 10.0812 10.0812 10.0888 10.0888 10.4053 10.4053 10.4137 10.4137 10.6789 10.6789 10.6840 10.6840 11.5882 11.5882 11.6048 11.6048 k = 0.3659 0.2992-0.0000 ( 7628 PWs) bands (ev): 1.1754 1.1754 1.1787 1.1787 1.6747 1.6747 1.6860 1.6860 5.6593 5.6593 5.6603 5.6603 5.9903 5.9903 6.0019 6.0019 6.8600 6.8600 6.9019 6.9019 7.6142 7.6142 7.6153 7.6153 7.7040 7.7040 7.7135 7.7135 7.8564 7.8564 7.8656 7.8656 8.8294 8.8294 8.8316 8.8316 9.0036 9.0036 9.0044 9.0044 9.0742 9.0742 9.0753 9.0753 9.1480 9.1480 9.1586 9.1586 9.3234 9.3234 9.3394 9.3394 9.5516 9.5516 9.5518 9.5518 9.9604 9.9604 9.9649 9.9649 10.0998 10.0998 10.1084 10.1084 10.4030 10.4030 10.4094 10.4094 10.6991 10.6991 10.7032 10.7032 11.5749 11.5749 11.5918 11.5918 k = 0.3537 0.2992-0.0000 ( 7628 PWs) bands (ev): 1.1360 1.1360 1.1390 1.1390 1.6740 1.6740 1.6854 1.6854 5.6571 5.6571 5.6580 5.6580 6.0201 6.0201 6.0314 6.0314 6.8446 6.8446 6.8860 6.8860 7.6184 7.6184 7.6206 7.6206 7.7046 7.7046 7.7185 7.7185 7.8604 7.8604 7.8713 7.8713 8.8245 8.8245 8.8254 8.8254 8.9997 8.9997 9.0012 9.0012 9.0885 9.0885 9.0900 9.0900 9.1401 9.1401 9.1507 9.1507 9.3313 9.3313 9.3490 9.3490 9.5721 9.5721 9.5726 9.5726 9.9712 9.9712 9.9784 9.9784 10.1183 10.1183 10.1276 10.1276 10.4025 10.4025 10.4063 10.4063 10.7193 10.7193 10.7223 10.7223 11.5628 11.5628 11.5800 11.5800 k = 0.3415 0.2992-0.0000 ( 7634 PWs) bands (ev): 1.0964 1.0964 1.0990 1.0990 1.6716 1.6716 1.6831 1.6831 5.6530 5.6530 5.6537 5.6537 6.0491 6.0491 6.0600 6.0600 6.8372 6.8372 6.8778 6.8778 7.6196 7.6196 7.6243 7.6243 7.7039 7.7039 7.7216 7.7216 7.8637 7.8637 7.8766 7.8766 8.8195 8.8195 8.8199 8.8199 8.9957 8.9957 8.9971 8.9971 9.1048 9.1048 9.1053 9.1053 9.1359 9.1359 9.1449 9.1449 9.3395 9.3395 9.3584 9.3584 9.5919 9.5919 9.5932 9.5932 9.9823 9.9823 9.9923 9.9923 10.1363 10.1363 10.1459 10.1459 10.4037 10.4037 10.4046 10.4046 10.7394 10.7394 10.7415 10.7415 11.5520 11.5520 11.5695 11.5695 k = 0.3293 0.2992-0.0000 ( 7632 PWs) bands (ev): 1.0566 1.0566 1.0590 1.0590 1.6677 1.6677 1.6791 1.6791 5.6465 5.6465 5.6467 5.6467 6.0770 6.0770 6.0875 6.0875 6.8383 6.8383 6.8778 6.8778 7.6197 7.6197 7.6261 7.6261 7.7010 7.7010 7.7219 7.7219 7.8669 7.8669 7.8816 7.8816 8.8140 8.8140 8.8156 8.8156 8.9921 8.9921 8.9928 8.9928 9.1121 9.1121 9.1203 9.1203 9.1421 9.1421 9.1443 9.1443 9.3483 9.3483 9.3678 9.3678 9.6109 9.6109 9.6130 9.6130 9.9935 9.9935 10.0065 10.0065 10.1538 10.1538 10.1633 10.1633 10.4041 10.4041 10.4066 10.4066 10.7593 10.7593 10.7606 10.7606 11.5429 11.5429 11.5605 11.5605 k = 0.3171 0.2992-0.0000 ( 7628 PWs) bands (ev): 1.0169 1.0169 1.0190 1.0190 1.6622 1.6622 1.6736 1.6736 5.6364 5.6364 5.6369 5.6369 6.1041 6.1041 6.1139 6.1139 6.8483 6.8483 6.8864 6.8864 7.6190 7.6190 7.6267 7.6267 7.6953 7.6953 7.7186 7.7186 7.8702 7.8702 7.8865 7.8865 8.8089 8.8089 8.8117 8.8117 8.9888 8.9888 8.9889 8.9889 9.1106 9.1106 9.1246 9.1246 9.1574 9.1574 9.1598 9.1598 9.3576 9.3576 9.3774 9.3774 9.6291 9.6291 9.6321 9.6321 10.0047 10.0047 10.0206 10.0206 10.1706 10.1706 10.1793 10.1793 10.4049 10.4049 10.4110 10.4110 10.7790 10.7790 10.7796 10.7796 11.5354 11.5354 11.5531 11.5531 k = 0.3049 0.2992-0.0000 ( 7630 PWs) bands (ev): 0.9775 0.9775 0.9792 0.9792 1.6555 1.6555 1.6668 1.6668 5.6226 5.6226 5.6240 5.6240 6.1304 6.1304 6.1396 6.1396 6.8671 6.8671 6.9036 6.9036 7.6179 7.6179 7.6264 7.6264 7.6867 7.6867 7.7117 7.7117 7.8737 7.8737 7.8913 7.8913 8.8044 8.8044 8.8083 8.8083 8.9851 8.9851 8.9861 8.9861 9.1072 9.1072 9.1229 9.1229 9.1788 9.1788 9.1819 9.1819 9.3675 9.3675 9.3873 9.3873 9.6464 9.6464 9.6503 9.6503 10.0158 10.0158 10.0345 10.0345 10.1864 10.1864 10.1941 10.1941 10.4068 10.4068 10.4167 10.4167 10.7984 10.7984 10.7985 10.7985 11.5297 11.5297 11.5473 11.5473 k = 0.2927 0.2992-0.0000 ( 7626 PWs) bands (ev): 0.9383 0.9383 0.9399 0.9399 1.6476 1.6476 1.6588 1.6588 5.6052 5.6052 5.6076 5.6076 6.1563 6.1563 6.1647 6.1647 6.8941 6.8941 6.9289 6.9289 7.6164 7.6164 7.6254 7.6254 7.6755 7.6755 7.7014 7.7014 7.8775 7.8775 7.8959 7.8959 8.8005 8.8005 8.8053 8.8053 8.9815 8.9815 8.9835 8.9835 9.1041 9.1041 9.1208 9.1208 9.2029 9.2029 9.2058 9.2058 9.3781 9.3781 9.3975 9.3975 9.6625 9.6625 9.6673 9.6673 10.0268 10.0268 10.0480 10.0480 10.2012 10.2012 10.2075 10.2075 10.4096 10.4096 10.4232 10.4232 10.8172 10.8172 10.8175 10.8175 11.5258 11.5258 11.5432 11.5432 k = 0.2805 0.2992-0.0000 ( 7626 PWs) bands (ev): 0.8997 0.8997 0.9010 0.9010 1.6387 1.6387 1.6497 1.6497 5.5843 5.5843 5.5878 5.5878 6.1821 6.1821 6.1898 6.1898 6.9287 6.9287 6.9616 6.9616 7.6147 7.6147 7.6236 7.6236 7.6623 7.6623 7.6882 7.6882 7.8814 7.8814 7.9003 7.9003 8.7972 8.7972 8.8027 8.8027 8.9781 8.9781 8.9808 8.9808 9.1019 9.1019 9.1194 9.1194 9.2283 9.2283 9.2310 9.2310 9.3893 9.3893 9.4080 9.4080 9.6773 9.6773 9.6833 9.6833 10.0376 10.0376 10.0609 10.0609 10.2150 10.2150 10.2196 10.2196 10.4129 10.4129 10.4301 10.4301 10.8359 10.8359 10.8362 10.8362 11.5237 11.5237 11.5407 11.5407 k = 0.2683 0.2992-0.0000 ( 7630 PWs) bands (ev): 0.8617 0.8617 0.8628 0.8628 1.6289 1.6289 1.6398 1.6398 5.5603 5.5603 5.5648 5.5648 6.2082 6.2082 6.2150 6.2150 6.9699 6.9699 7.0009 7.0009 7.6126 7.6126 7.6202 7.6202 7.6483 7.6483 7.6726 7.6726 7.8853 7.8853 7.9042 7.9042 8.7944 8.7944 8.8006 8.8006 8.9747 8.9747 8.9781 8.9781 9.1005 9.1005 9.1188 9.1188 9.2545 9.2545 9.2569 9.2569 9.4010 9.4010 9.4188 9.4188 9.6907 9.6907 9.6979 9.6979 10.0484 10.0484 10.0733 10.0733 10.2277 10.2277 10.2306 10.2306 10.4164 10.4164 10.4367 10.4367 10.8545 10.8545 10.8547 10.8547 11.5233 11.5233 11.5397 11.5397 k = 0.2561 0.2992-0.0000 ( 7636 PWs) bands (ev): 0.8245 0.8245 0.8254 0.8254 1.6185 1.6185 1.6291 1.6291 5.5336 5.5336 5.5391 5.5391 6.2347 6.2347 6.2406 6.2406 7.0167 7.0167 7.0458 7.0458 7.6101 7.6101 7.6127 7.6127 7.6366 7.6366 7.6556 7.6556 7.8888 7.8888 7.9076 7.9076 8.7923 8.7923 8.7990 8.7990 8.9714 8.9714 8.9751 8.9751 9.1002 9.1002 9.1192 9.1192 9.2812 9.2812 9.2834 9.2834 9.4129 9.4129 9.4297 9.4297 9.7028 9.7028 9.7112 9.7112 10.0589 10.0589 10.0852 10.0852 10.2394 10.2394 10.2406 10.2406 10.4196 10.4196 10.4428 10.4428 10.8730 10.8730 10.8732 10.8732 11.5244 11.5244 11.5401 11.5401 k = 0.2439 0.2992-0.0000 ( 7644 PWs) bands (ev): 0.7882 0.7882 0.7889 0.7889 1.6075 1.6075 1.6178 1.6178 5.5048 5.5048 5.5111 5.5111 6.2616 6.2616 6.2667 6.2667 7.0681 7.0681 7.0954 7.0954 7.5988 7.5988 7.6066 7.6066 7.6301 7.6301 7.6381 7.6381 7.8920 7.8920 7.9106 7.9106 8.7908 8.7908 8.7979 8.7979 8.9680 8.9680 8.9719 8.9719 9.1008 9.1008 9.1205 9.1205 9.3081 9.3081 9.3101 9.3101 9.4249 9.4249 9.4406 9.4406 9.7133 9.7133 9.7230 9.7230 10.0694 10.0694 10.0964 10.0964 10.2497 10.2497 10.2500 10.2500 10.4224 10.4224 10.4477 10.4477 10.8912 10.8912 10.8921 10.8921 11.5269 11.5269 11.5417 11.5417 k = 0.2317 0.2992-0.0000 ( 7624 PWs) bands (ev): 0.7529 0.7529 0.7535 0.7535 1.5961 1.5961 1.6062 1.6062 5.4745 5.4745 5.4815 5.4815 6.2890 6.2890 6.2932 6.2932 7.1231 7.1231 7.1487 7.1487 7.5811 7.5811 7.6004 7.6004 7.6225 7.6225 7.6268 7.6268 7.8949 7.8949 7.9130 7.9130 8.7900 8.7900 8.7974 8.7974 8.9645 8.9645 8.9683 8.9683 9.1026 9.1026 9.1227 9.1227 9.3350 9.3350 9.3369 9.3369 9.4367 9.4367 9.4512 9.4512 9.7225 9.7225 9.7335 9.7335 10.0797 10.0797 10.1071 10.1071 10.2579 10.2579 10.2595 10.2595 10.4243 10.4243 10.4512 10.4512 10.9094 10.9094 10.9112 10.9112 11.5305 11.5305 11.5443 11.5443 k = 0.2195 0.2992-0.0000 ( 7620 PWs) bands (ev): 0.7188 0.7188 0.7192 0.7192 1.5844 1.5844 1.5942 1.5942 5.4432 5.4432 5.4507 5.4507 6.3165 6.3165 6.3199 6.3199 7.1807 7.1807 7.2047 7.2047 7.5620 7.5620 7.5880 7.5880 7.6129 7.6129 7.6246 7.6246 7.8973 7.8973 7.9152 7.9152 8.7897 8.7897 8.7972 8.7972 8.9608 8.9608 8.9643 8.9643 9.1053 9.1053 9.1259 9.1259 9.3616 9.3616 9.3635 9.3635 9.4482 9.4482 9.4615 9.4615 9.7302 9.7302 9.7425 9.7425 10.0898 10.0898 10.1172 10.1172 10.2653 10.2653 10.2679 10.2679 10.4252 10.4252 10.4531 10.4531 10.9276 10.9276 10.9304 10.9304 11.5352 11.5352 11.5478 11.5478 k = 0.2073 0.2992-0.0000 ( 7616 PWs) bands (ev): 0.6859 0.6859 0.6862 0.6862 1.5727 1.5727 1.5820 1.5820 5.4115 5.4115 5.4193 5.4193 6.3441 6.3441 6.3467 6.3467 7.2401 7.2401 7.2627 7.2627 7.5429 7.5429 7.5710 7.5710 7.6081 7.6081 7.6229 7.6229 7.8996 7.8996 7.9171 7.9171 8.7899 8.7899 8.7975 8.7975 8.9569 8.9569 8.9598 8.9598 9.1092 9.1092 9.1302 9.1302 9.3876 9.3876 9.3896 9.3896 9.4591 9.4591 9.4712 9.4712 9.7366 9.7366 9.7500 9.7500 10.0995 10.0995 10.1266 10.1266 10.2717 10.2717 10.2751 10.2751 10.4252 10.4252 10.4535 10.4535 10.9456 10.9456 10.9496 10.9496 11.5407 11.5407 11.5521 11.5521 k = 0.1951 0.2992-0.0000 ( 7624 PWs) bands (ev): 0.6543 0.6543 0.6546 0.6546 1.5609 1.5609 1.5699 1.5699 5.3798 5.3798 5.3878 5.3878 6.3716 6.3716 6.3734 6.3734 7.2999 7.2999 7.3213 7.3213 7.5244 7.5244 7.5531 7.5531 7.6049 7.6049 7.6215 7.6215 7.9019 7.9019 7.9191 7.9191 8.7906 8.7906 8.7982 8.7982 8.9526 8.9526 8.9547 8.9547 9.1141 9.1141 9.1355 9.1355 9.4126 9.4126 9.4150 9.4150 9.4697 9.4697 9.4803 9.4803 9.7416 9.7416 9.7562 9.7562 10.1088 10.1088 10.1352 10.1352 10.2770 10.2770 10.2808 10.2808 10.4244 10.4244 10.4526 10.4526 10.9635 10.9635 10.9685 10.9685 11.5472 11.5472 11.5574 11.5574 k = 0.1829 0.2992-0.0000 ( 7620 PWs) bands (ev): 0.6242 0.6242 0.6244 0.6244 1.5492 1.5492 1.5578 1.5578 5.3484 5.3484 5.3565 5.3565 6.3985 6.3985 6.3997 6.3997 7.3586 7.3586 7.3793 7.3793 7.5075 7.5075 7.5363 7.5363 7.6024 7.6024 7.6205 7.6205 7.9047 7.9047 7.9217 7.9217 8.7918 8.7918 8.7993 8.7993 8.9479 8.9479 8.9490 8.9490 9.1201 9.1201 9.1419 9.1419 9.4354 9.4354 9.4391 9.4391 9.4805 9.4805 9.4891 9.4891 9.7454 9.7454 9.7609 9.7609 10.1175 10.1175 10.1430 10.1430 10.2810 10.2810 10.2848 10.2848 10.4233 10.4233 10.4506 10.4506 10.9808 10.9808 10.9869 10.9869 11.5547 11.5547 11.5638 11.5638 k = 0.1707 0.2992-0.0000 ( 7634 PWs) bands (ev): 0.5957 0.5957 0.5958 0.5958 1.5378 1.5378 1.5460 1.5460 5.3179 5.3179 5.3259 5.3259 6.4247 6.4247 6.4252 6.4252 7.4126 7.4126 7.4337 7.4337 7.4949 7.4949 7.5227 7.5227 7.6003 7.6003 7.6197 7.6197 7.9086 7.9086 7.9256 7.9256 8.7933 8.7933 8.8006 8.8006 8.9426 8.9426 8.9426 8.9426 9.1274 9.1274 9.1494 9.1494 9.4543 9.4543 9.4606 9.4606 9.4933 9.4933 9.4985 9.4985 9.7480 9.7480 9.7642 9.7642 10.1254 10.1254 10.1498 10.1498 10.2832 10.2832 10.2869 10.2869 10.4223 10.4223 10.4483 10.4483 10.9972 10.9972 11.0041 11.0041 11.5635 11.5635 11.5716 11.5716 k = 0.1585 0.2992-0.0000 ( 7630 PWs) bands (ev): 0.5687 0.5687 0.5688 0.5688 1.5268 1.5268 1.5344 1.5344 5.2884 5.2884 5.2962 5.2962 6.4499 6.4499 6.4499 6.4499 7.4465 7.4465 7.4723 7.4723 7.5006 7.5006 7.5234 7.5234 7.5988 7.5988 7.6197 7.6197 7.9146 7.9146 7.9317 7.9317 8.7952 8.7952 8.8022 8.8022 8.9354 8.9354 8.9366 8.9366 9.1358 9.1358 9.1582 9.1582 9.4670 9.4670 9.4770 9.4770 9.5098 9.5098 9.5109 9.5109 9.7494 9.7494 9.7661 9.7661 10.1324 10.1324 10.1554 10.1554 10.2833 10.2833 10.2867 10.2867 10.4222 10.4222 10.4463 10.4463 11.0122 11.0122 11.0195 11.0195 11.5738 11.5738 11.5813 11.5813 k = 0.1463 0.2992-0.0000 ( 7626 PWs) bands (ev): 0.5434 0.5434 0.5435 0.5435 1.5162 1.5162 1.5233 1.5233 5.2602 5.2602 5.2678 5.2678 6.4733 6.4733 6.4739 6.4739 7.4460 7.4460 7.4749 7.4749 7.5369 7.5369 7.5557 7.5557 7.5991 7.5991 7.6209 7.6209 7.9239 7.9239 7.9412 7.9412 8.7974 8.7974 8.8041 8.8041 8.9274 8.9274 8.9300 8.9300 9.1456 9.1456 9.1683 9.1683 9.4742 9.4742 9.4865 9.4865 9.5278 9.5278 9.5292 9.5292 9.7497 9.7497 9.7664 9.7664 10.1384 10.1384 10.1596 10.1596 10.2809 10.2809 10.2841 10.2841 10.4237 10.4237 10.4455 10.4455 11.0250 11.0250 11.0324 11.0324 11.5862 11.5862 11.5932 11.5932 k = 0.1341 0.2992-0.0000 ( 7628 PWs) bands (ev): 0.5199 0.5199 0.5200 0.5200 1.5061 1.5061 1.5127 1.5127 5.2337 5.2337 5.2409 5.2409 6.4953 6.4953 6.4964 6.4964 7.4367 7.4367 7.4656 7.4656 7.5740 7.5740 7.5843 7.5843 7.6106 7.6106 7.6255 7.6255 7.9381 7.9381 7.9557 7.9557 8.7998 8.7998 8.8061 8.8061 8.9186 8.9186 8.9225 8.9225 9.1566 9.1566 9.1797 9.1797 9.4777 9.4777 9.4911 9.4911 9.5472 9.5472 9.5495 9.5495 9.7489 9.7489 9.7654 9.7654 10.1432 10.1432 10.1622 10.1622 10.2759 10.2759 10.2789 10.2789 10.4274 10.4274 10.4466 10.4466 11.0351 11.0351 11.0422 11.0422 11.6011 11.6011 11.6079 11.6079 k = 0.1220 0.2992-0.0000 ( 7624 PWs) bands (ev): 0.4982 0.4982 0.4983 0.4983 1.4966 1.4966 1.5027 1.5027 5.2089 5.2089 5.2157 5.2157 6.5157 6.5157 6.5172 6.5172 7.4272 7.4272 7.4556 7.4556 7.5893 7.5893 7.5966 7.5966 7.6387 7.6387 7.6402 7.6402 7.9588 7.9588 7.9765 7.9765 8.8023 8.8023 8.8081 8.8081 8.9089 8.9089 8.9140 8.9140 9.1689 9.1689 9.1924 9.1924 9.4787 9.4787 9.4927 9.4927 9.5667 9.5667 9.5692 9.5692 9.7473 9.7473 9.7630 9.7630 10.1466 10.1466 10.1632 10.1632 10.2681 10.2681 10.2714 10.2714 10.4338 10.4338 10.4503 10.4503 11.0419 11.0419 11.0483 11.0483 11.6187 11.6187 11.6256 11.6256 k = 0.1098 0.2992-0.0000 ( 7616 PWs) bands (ev): 0.4784 0.4784 0.4785 0.4785 1.4879 1.4879 1.4934 1.4934 5.1861 5.1861 5.1924 5.1924 6.5343 6.5343 6.5361 6.5361 7.4191 7.4191 7.4465 7.4465 7.5900 7.5900 7.6048 7.6048 7.6579 7.6579 7.6658 7.6658 7.9867 7.9867 8.0042 8.0042 8.8048 8.8048 8.8102 8.8102 8.8985 8.8985 8.9047 8.9047 9.1825 9.1825 9.2064 9.2064 9.4778 9.4778 9.4923 9.4923 9.5853 9.5853 9.5873 9.5873 9.7452 9.7452 9.7595 9.7595 10.1487 10.1487 10.1625 10.1625 10.2580 10.2580 10.2620 10.2620 10.4427 10.4427 10.4566 10.4566 11.0451 11.0451 11.0504 11.0504 11.6390 11.6390 11.6463 11.6463 k = 0.0976 0.2992-0.0000 ( 7624 PWs) bands (ev): 0.4606 0.4606 0.4607 0.4607 1.4799 1.4799 1.4849 1.4849 5.1654 5.1654 5.1711 5.1711 6.5511 6.5511 6.5530 6.5530 7.4125 7.4125 7.4386 7.4386 7.5905 7.5905 7.6080 7.6080 7.6737 7.6737 7.6833 7.6833 8.0209 8.0209 8.0378 8.0378 8.8072 8.8072 8.8123 8.8123 8.8873 8.8873 8.8945 8.8945 9.1974 9.1974 9.2215 9.2215 9.4752 9.4752 9.4902 9.4902 9.6020 9.6020 9.6031 9.6031 9.7430 9.7430 9.7552 9.7552 10.1495 10.1495 10.1603 10.1603 10.2461 10.2461 10.2513 10.2513 10.4541 10.4541 10.4655 10.4655 11.0445 11.0445 11.0486 11.0486 11.6618 11.6618 11.6695 11.6695 k = 0.0854 0.2992-0.0000 ( 7624 PWs) bands (ev): 0.4447 0.4447 0.4448 0.4448 1.4728 1.4728 1.4772 1.4772 5.1469 5.1469 5.1520 5.1520 6.5658 6.5658 6.5678 6.5678 7.4077 7.4077 7.4320 7.4320 7.5914 7.5914 7.6098 7.6098 7.6836 7.6836 7.6935 7.6935 8.0594 8.0594 8.0755 8.0755 8.8096 8.8096 8.8142 8.8142 8.8756 8.8756 8.8834 8.8834 9.2134 9.2134 9.2377 9.2377 9.4710 9.4710 9.4866 9.4866 9.6157 9.6157 9.6162 9.6162 9.7415 9.7415 9.7510 9.7510 10.1489 10.1489 10.1567 10.1567 10.2335 10.2335 10.2399 10.2399 10.4675 10.4675 10.4766 10.4766 11.0404 11.0404 11.0434 11.0434 11.6864 11.6864 11.6944 11.6944 k = 0.0732 0.2992-0.0000 ( 7616 PWs) bands (ev): 0.4309 0.4309 0.4310 0.4310 1.4665 1.4665 1.4703 1.4703 5.1307 5.1307 5.1352 5.1352 6.5786 6.5786 6.5805 6.5805 7.4045 7.4045 7.4266 7.4266 7.5929 7.5929 7.6114 7.6114 7.6885 7.6885 7.6982 7.6982 8.0996 8.0996 8.1146 8.1146 8.8118 8.8118 8.8160 8.8160 8.8637 8.8637 8.8718 8.8718 9.2305 9.2305 9.2547 9.2547 9.4655 9.4655 9.4816 9.4816 9.6245 9.6245 9.6271 9.6271 9.7415 9.7415 9.7476 9.7476 10.1472 10.1472 10.1520 10.1520 10.2209 10.2209 10.2285 10.2285 10.4821 10.4821 10.4892 10.4892 11.0335 11.0335 11.0354 11.0354 11.7117 11.7117 11.7199 11.7199 k = 0.0610 0.2992-0.0000 ( 7622 PWs) bands (ev): 0.4191 0.4191 0.4192 0.4192 1.4612 1.4612 1.4644 1.4644 5.1170 5.1170 5.1207 5.1207 6.5893 6.5893 6.5911 6.5911 7.4027 7.4027 7.4221 7.4221 7.5951 7.5951 7.6127 7.6127 7.6899 7.6899 7.6990 7.6990 8.1389 8.1389 8.1525 8.1525 8.8137 8.8137 8.8176 8.8176 8.8520 8.8520 8.8599 8.8599 9.2483 9.2483 9.2721 9.2721 9.4586 9.4586 9.4751 9.4751 9.6294 9.6294 9.6338 9.6338 9.7433 9.7433 9.7461 9.7461 10.1443 10.1443 10.1467 10.1467 10.2095 10.2095 10.2178 10.2178 10.4973 10.4973 10.5026 10.5026 11.0247 11.0247 11.0256 11.0256 11.7366 11.7366 11.7445 11.7445 k = 0.0488 0.2992-0.0000 ( 7602 PWs) bands (ev): 0.4095 0.4095 0.4095 0.4095 1.4569 1.4569 1.4594 1.4594 5.1057 5.1057 5.1087 5.1087 6.5981 6.5981 6.5997 6.5997 7.4021 7.4021 7.4184 7.4184 7.5979 7.5979 7.6139 7.6139 7.6891 7.6891 7.6975 7.6975 8.1751 8.1751 8.1870 8.1870 8.8153 8.8153 8.8190 8.8190 8.8413 8.8413 8.8482 8.8482 9.2665 9.2665 9.2892 9.2892 9.4508 9.4508 9.4673 9.4673 9.6311 9.6311 9.6365 9.6365 9.7466 9.7466 9.7468 9.7468 10.1405 10.1405 10.1412 10.1412 10.2000 10.2000 10.2082 10.2082 10.5119 10.5119 10.5157 10.5157 11.0149 11.0149 11.0152 11.0152 11.7595 11.7595 11.7668 11.7668 k = 0.0366 0.2992-0.0000 ( 7602 PWs) bands (ev): 0.4019 0.4019 0.4020 0.4020 1.4535 1.4535 1.4554 1.4554 5.0969 5.0969 5.0992 5.0992 6.6049 6.6049 6.6061 6.6061 7.4025 7.4025 7.4152 7.4152 7.6012 7.6012 7.6146 7.6146 7.6875 7.6875 7.6947 7.6947 8.2063 8.2063 8.2159 8.2159 8.8163 8.8163 8.8200 8.8200 8.8323 8.8323 8.8374 8.8374 9.2844 9.2844 9.3049 9.3049 9.4426 9.4426 9.4582 9.4582 9.6307 9.6307 9.6360 9.6360 9.7493 9.7493 9.7505 9.7505 10.1361 10.1361 10.1363 10.1363 10.1930 10.1930 10.2001 10.2001 10.5249 10.5249 10.5275 10.5275 11.0053 11.0053 11.0054 11.0054 11.7792 11.7792 11.7852 11.7852 k = 0.0244 0.2992-0.0000 ( 7602 PWs) bands (ev): 0.3965 0.3965 0.3966 0.3966 1.4512 1.4512 1.4525 1.4525 5.0908 5.0908 5.0923 5.0923 6.6097 6.6097 6.6106 6.6106 7.4037 7.4037 7.4124 7.4124 7.6048 7.6048 7.6145 7.6145 7.6861 7.6861 7.6914 7.6914 8.2307 8.2307 8.2376 8.2376 8.8164 8.8164 8.8205 8.8205 8.8262 8.8262 8.8285 8.8285 9.3010 9.3010 9.3175 9.3175 9.4355 9.4355 9.4486 9.4486 9.6297 9.6297 9.6338 9.6338 9.7525 9.7525 9.7540 9.7540 10.1319 10.1319 10.1324 10.1324 10.1886 10.1886 10.1939 10.1939 10.5353 10.5353 10.5369 10.5369 10.9971 10.9971 10.9974 10.9974 11.7943 11.7943 11.7987 11.7987 k = 0.0122 0.2992-0.0000 ( 7602 PWs) bands (ev): 0.3933 0.3933 0.3933 0.3933 1.4499 1.4499 1.4506 1.4506 5.0872 5.0872 5.0880 5.0880 6.6127 6.6127 6.6132 6.6132 7.4054 7.4054 7.4098 7.4098 7.6083 7.6083 7.6134 7.6134 7.6856 7.6856 7.6884 7.6884 8.2468 8.2468 8.2504 8.2504 8.8159 8.8159 8.8194 8.8194 8.8233 8.8233 8.8235 8.8235 9.3148 9.3148 9.3243 9.3243 9.4317 9.4317 9.4396 9.4396 9.6292 9.6292 9.6314 9.6314 9.7552 9.7552 9.7561 9.7561 10.1292 10.1292 10.1295 10.1295 10.1867 10.1867 10.1895 10.1895 10.5422 10.5422 10.5429 10.5429 10.9918 10.9918 10.9920 10.9920 11.8043 11.8043 11.8065 11.8065 k = 0.0000 0.2992-0.0000 ( 7596 PWs) bands (ev): 0.3922 0.3922 0.3922 0.3922 1.4497 1.4497 1.4497 1.4497 5.0863 5.0863 5.0863 5.0863 6.6139 6.6139 6.6139 6.6139 7.4075 7.4075 7.4075 7.4075 7.6113 7.6113 7.6113 7.6113 7.6864 7.6864 7.6864 7.6864 8.2536 8.2536 8.2536 8.2536 8.8167 8.8167 8.8167 8.8167 8.8227 8.8227 8.8227 8.8227 9.3233 9.3233 9.3233 9.3233 9.4332 9.4332 9.4332 9.4332 9.6297 9.6297 9.6297 9.6297 9.7566 9.7566 9.7566 9.7566 10.1284 10.1284 10.1284 10.1284 10.1871 10.1871 10.1871 10.1871 10.5448 10.5448 10.5448 10.5448 10.9900 10.9900 10.9900 10.9900 11.8084 11.8084 11.8084 11.8084 k = 0.0000 0.2992-0.0000 ( 7596 PWs) bands (ev): 0.3922 0.3922 0.3922 0.3922 1.4497 1.4497 1.4497 1.4497 5.0863 5.0863 5.0863 5.0863 6.6139 6.6139 6.6139 6.6139 7.4075 7.4075 7.4075 7.4075 7.6113 7.6113 7.6113 7.6113 7.6864 7.6864 7.6864 7.6864 8.2536 8.2536 8.2536 8.2536 8.8167 8.8167 8.8167 8.8167 8.8227 8.8227 8.8227 8.8227 9.3233 9.3233 9.3233 9.3233 9.4332 9.4332 9.4332 9.4332 9.6297 9.6297 9.6297 9.6297 9.7566 9.7566 9.7566 9.7566 10.1284 10.1284 10.1284 10.1284 10.1871 10.1871 10.1871 10.1871 10.5448 10.5448 10.5448 10.5448 10.9900 10.9900 10.9900 10.9900 11.8084 11.8084 11.8084 11.8084 k = 0.0000 0.2872-0.0000 ( 7604 PWs) bands (ev): 0.3349 0.3349 0.4508 0.4508 1.4360 1.4360 1.4631 1.4631 5.0791 5.0791 5.0966 5.0966 6.5379 6.5379 6.6891 6.6891 7.4016 7.4016 7.4086 7.4086 7.5948 7.5948 7.6274 7.6274 7.6848 7.6848 7.6900 7.6900 8.1983 8.1983 8.3094 8.3094 8.8082 8.8082 8.8199 8.8199 8.8246 8.8246 8.8258 8.8258 9.3227 9.3227 9.3260 9.3260 9.4087 9.4087 9.4573 9.4573 9.6050 9.6050 9.6488 9.6488 9.7488 9.7488 9.7691 9.7691 10.1257 10.1257 10.1298 10.1298 10.1843 10.1843 10.1902 10.1902 10.5151 10.5151 10.5723 10.5723 10.9619 10.9619 11.0208 11.0208 11.7734 11.7734 11.8439 11.8439 k = 0.0000 0.2753-0.0000 ( 7604 PWs) bands (ev): 0.2791 0.2791 0.5105 0.5105 1.4221 1.4221 1.4760 1.4760 5.0749 5.0749 5.1101 5.1101 6.4615 6.4615 6.7633 6.7633 7.3917 7.3917 7.4047 7.4047 7.5779 7.5779 7.6429 7.6429 7.6854 7.6854 7.6954 7.6954 8.1440 8.1440 8.3656 8.3656 8.7992 8.7992 8.8174 8.8174 8.8290 8.8290 8.8320 8.8320 9.3240 9.3240 9.3309 9.3309 9.3842 9.3842 9.4810 9.4810 9.5770 9.5770 9.6610 9.6610 9.7448 9.7448 9.7869 9.7869 10.1214 10.1214 10.1300 10.1300 10.1819 10.1819 10.1936 10.1936 10.4841 10.4841 10.5972 10.5972 10.9368 10.9368 11.0539 11.0539 11.7388 11.7388 11.8799 11.8799 k = 0.0000 0.2633-0.0000 ( 7610 PWs) bands (ev): 0.2247 0.2247 0.5711 0.5711 1.4079 1.4079 1.4885 1.4885 5.0738 5.0738 5.1267 5.1267 6.3850 6.3850 6.8358 6.8358 7.3786 7.3786 7.3959 7.3959 7.5607 7.5607 7.6578 7.6578 7.6878 7.6878 7.7021 7.7021 8.0909 8.0909 8.4214 8.4214 8.7899 8.7899 8.8151 8.8151 8.8330 8.8330 8.8382 8.8382 9.3262 9.3262 9.3379 9.3379 9.3608 9.3608 9.5039 9.5039 9.5477 9.5477 9.6663 9.6663 9.7436 9.7436 9.8090 9.8090 10.1154 10.1154 10.1292 10.1292 10.1799 10.1799 10.1970 10.1970 10.4524 10.4524 10.6191 10.6191 10.9150 10.9150 11.0889 11.0889 11.7046 11.7046 11.9164 11.9164 k = 0.0000 0.2513-0.0000 ( 7616 PWs) bands (ev): 0.1721 0.1721 0.6325 0.6325 1.3936 1.3936 1.5006 1.5006 5.0756 5.0756 5.1462 5.1462 6.3087 6.3087 6.9061 6.9061 7.3633 7.3633 7.3824 7.3824 7.5434 7.5434 7.6718 7.6718 7.6919 7.6919 7.7099 7.7099 8.0393 8.0393 8.4764 8.4764 8.7803 8.7803 8.8130 8.8130 8.8377 8.8377 8.8432 8.8432 9.3211 9.3211 9.3450 9.3450 9.3487 9.3487 9.5151 9.5151 9.5293 9.5293 9.6661 9.6661 9.7445 9.7445 9.8337 9.8337 10.1074 10.1074 10.1277 10.1277 10.1780 10.1780 10.2002 10.2002 10.4213 10.4213 10.6380 10.6380 10.8968 10.8968 11.1257 11.1257 11.6710 11.6710 11.9534 11.9535 k = 0.0000 0.2394-0.0000 ( 7618 PWs) bands (ev): 0.1212 0.1212 0.6944 0.6944 1.3792 1.3792 1.5122 1.5122 5.0801 5.0801 5.1687 5.1687 6.2330 6.2330 6.9730 6.9730 7.3474 7.3474 7.3648 7.3648 7.5260 7.5260 7.6844 7.6844 7.6975 7.6975 7.7182 7.7182 7.9892 7.9892 8.5298 8.5298 8.7705 8.7705 8.8113 8.8113 8.8431 8.8431 8.8469 8.8469 9.3002 9.3002 9.3483 9.3483 9.3605 9.3605 9.4876 9.4876 9.5496 9.5496 9.6619 9.6619 9.7470 9.7470 9.8593 9.8593 10.0971 10.0971 10.1255 10.1255 10.1757 10.1757 10.2029 10.2029 10.3923 10.3923 10.6536 10.6536 10.8824 10.8824 11.1638 11.1638 11.6381 11.6381 11.9904 11.9904 k = 0.0000 0.2274-0.0000 ( 7620 PWs) bands (ev): 0.0723 0.0723 0.7566 0.7566 1.3648 1.3648 1.5233 1.5233 5.0873 5.0873 5.1938 5.1938 6.1584 6.1584 7.0344 7.0344 7.3318 7.3318 7.3449 7.3449 7.5086 7.5086 7.6943 7.6943 7.7054 7.7054 7.7268 7.7268 7.9410 7.9410 8.5804 8.5804 8.7605 8.7605 8.8103 8.8103 8.8482 8.8482 8.8500 8.8500 9.2748 9.2748 9.3558 9.3558 9.3765 9.3765 9.4604 9.4604 9.5706 9.5706 9.6553 9.6553 9.7509 9.7509 9.8844 9.8844 10.0845 10.0845 10.1224 10.1224 10.1720 10.1720 10.2048 10.2048 10.3672 10.3672 10.6662 10.6662 10.8720 10.8720 11.2031 11.2031 11.6062 11.6062 12.0237 12.0243 k = 0.0000 0.2154-0.0000 ( 7632 PWs) bands (ev): 0.0253 0.0253 0.8188 0.8188 1.3505 1.3505 1.5340 1.5340 5.0970 5.0970 5.2212 5.2212 6.0853 6.0853 7.0860 7.0860 7.3120 7.3120 7.3323 7.3323 7.4914 7.4914 7.7008 7.7008 7.7156 7.7156 7.7357 7.7357 7.8947 7.8947 8.6267 8.6267 8.7503 8.7503 8.8108 8.8108 8.8487 8.8487 8.8569 8.8569 9.2485 9.2485 9.3644 9.3644 9.3948 9.3948 9.4373 9.4373 9.5899 9.5899 9.6477 9.6477 9.7558 9.7558 9.9083 9.9083 10.0695 10.0695 10.1175 10.1175 10.1662 10.1662 10.2061 10.2061 10.3485 10.3485 10.6759 10.6759 10.8654 10.8654 11.2432 11.2432 11.5755 11.5755 12.0277 12.0277 k = 0.0000 0.2034-0.0000 ( 7636 PWs) bands (ev): -0.0195 -0.0195 0.8808 0.8808 1.3364 1.3364 1.5443 1.5443 5.1089 5.1089 5.2503 5.2503 6.0147 6.0147 7.1206 7.1206 7.2842 7.2842 7.3383 7.3383 7.4744 7.4744 7.7053 7.7053 7.7264 7.7264 7.7446 7.7446 7.8505 7.8505 8.6663 8.6663 8.7399 8.7399 8.8144 8.8144 8.8472 8.8472 8.8652 8.8652 9.2219 9.2219 9.3730 9.3730 9.3998 9.3998 9.4349 9.4349 9.6045 9.6045 9.6430 9.6430 9.7616 9.7616 9.9300 9.9300 10.0524 10.0524 10.1091 10.1091 10.1585 10.1585 10.2066 10.2066 10.3379 10.3379 10.6832 10.6832 10.8629 10.8629 11.2838 11.2838 11.5463 11.5463 12.0276 12.0276 k = 0.0000 0.1915-0.0000 ( 7640 PWs) bands (ev): -0.0622 -0.0622 0.9421 0.9421 1.3226 1.3226 1.5541 1.5541 5.1228 5.1228 5.2803 5.2803 5.9474 5.9474 7.1331 7.1331 7.2519 7.2519 7.3647 7.3647 7.4579 7.4579 7.7086 7.7086 7.7368 7.7368 7.7535 7.7535 7.8086 7.8086 8.6956 8.6956 8.7298 8.7298 8.8220 8.8220 8.8452 8.8452 8.8745 8.8745 9.1952 9.1952 9.3763 9.3763 9.3889 9.3889 9.4612 9.4612 9.6066 9.6066 9.6492 9.6492 9.7682 9.7682 9.9489 9.9489 10.0337 10.0337 10.0955 10.0955 10.1513 10.1513 10.2063 10.2063 10.3356 10.3356 10.6883 10.6883 10.8640 10.8640 11.3248 11.3248 11.5186 11.5186 12.0279 12.0279 k = 0.0000 0.1795-0.0000 ( 7640 PWs) bands (ev): -0.1027 -0.1027 1.0025 1.0025 1.3091 1.3091 1.5636 1.5636 5.1386 5.1386 5.3098 5.3098 5.8852 5.8852 7.1272 7.1272 7.2162 7.2162 7.4065 7.4065 7.4427 7.4427 7.7105 7.7105 7.7461 7.7461 7.7620 7.7620 7.7700 7.7700 8.7079 8.7079 8.7244 8.7244 8.8274 8.8274 8.8508 8.8508 8.8850 8.8850 9.1687 9.1687 9.3622 9.3622 9.3942 9.3942 9.4963 9.4963 9.5984 9.5984 9.6647 9.6647 9.7756 9.7756 9.9630 9.9630 10.0138 10.0138 10.0775 10.0775 10.1465 10.1465 10.2050 10.2050 10.3406 10.3406 10.6916 10.6916 10.8689 10.8689 11.3659 11.3659 11.4928 11.4928 12.0146 12.0147 k = 0.0000 0.1675-0.0000 ( 7640 PWs) bands (ev): -0.1408 -0.1408 1.0616 1.0616 1.2961 1.2961 1.5729 1.5729 5.1559 5.1559 5.3366 5.3366 5.8304 5.8304 7.1107 7.1107 7.1773 7.1773 7.4237 7.4237 7.4609 7.4609 7.7100 7.7100 7.7320 7.7320 7.7564 7.7564 7.7720 7.7720 8.7004 8.7004 8.7280 8.7280 8.8221 8.8221 8.8704 8.8704 8.8968 8.8968 9.1426 9.1426 9.3468 9.3468 9.4024 9.4024 9.5370 9.5370 9.5870 9.5870 9.6827 9.6827 9.7835 9.7835 9.9683 9.9683 9.9941 9.9941 10.0603 10.0603 10.1440 10.1440 10.2027 10.2027 10.3511 10.3511 10.6936 10.6936 10.8770 10.8770 11.4068 11.4068 11.4688 11.4688 11.9695 11.9695 k = 0.0000 0.1556-0.0000 ( 7638 PWs) bands (ev): -0.1766 -0.1766 1.1188 1.1188 1.2835 1.2835 1.5820 1.5820 5.1745 5.1745 5.3571 5.3571 5.7869 5.7869 7.0888 7.0888 7.1353 7.1353 7.4096 7.4096 7.5137 7.5137 7.6915 7.6915 7.7161 7.7161 7.7644 7.7644 7.7812 7.7812 8.6879 8.6879 8.7293 8.7293 8.8125 8.8125 8.8938 8.8938 8.9102 8.9102 9.1171 9.1171 9.3334 9.3334 9.4103 9.4103 9.5750 9.5750 9.5823 9.5823 9.7011 9.7011 9.7918 9.7918 9.9588 9.9588 9.9756 9.9756 10.0517 10.0517 10.1429 10.1429 10.1995 10.1995 10.3656 10.3656 10.6944 10.6944 10.8884 10.8884 11.4459 11.4459 11.4480 11.4480 11.9211 11.9211 k = 0.0000 0.1436-0.0000 ( 7636 PWs) bands (ev): -0.2099 -0.2099 1.1737 1.1737 1.2716 1.2716 1.5912 1.5912 5.1940 5.1940 5.3666 5.3666 5.7596 5.7596 7.0642 7.0642 7.0906 7.0906 7.3955 7.3955 7.5671 7.5671 7.6601 7.6601 7.7145 7.7145 7.7722 7.7722 7.7907 7.7907 8.6740 8.6740 8.7278 8.7278 8.8009 8.8009 8.9144 8.9144 8.9269 8.9269 9.0923 9.0923 9.3223 9.3223 9.4174 9.4174 9.5633 9.5633 9.6313 9.6313 9.7192 9.7192 9.8006 9.8006 9.9394 9.9394 9.9536 9.9536 10.0534 10.0534 10.1429 10.1429 10.1955 10.1955 10.3827 10.3827 10.6945 10.6945 10.9025 10.9025 11.4264 11.4264 11.4870 11.4870 11.8726 11.8726 k = 0.0000 0.1316-0.0000 ( 7636 PWs) bands (ev): -0.2408 -0.2408 1.2255 1.2255 1.2605 1.2605 1.6006 1.6006 5.2140 5.2140 5.3613 5.3613 5.7525 5.7525 7.0360 7.0360 7.0455 7.0455 7.3820 7.3820 7.6181 7.6181 7.6301 7.6301 7.7140 7.7140 7.7797 7.7797 7.8006 7.8006 8.6592 8.6592 8.7246 8.7246 8.7881 8.7881 8.9309 8.9309 8.9462 8.9462 9.0687 9.0687 9.3133 9.3133 9.4235 9.4235 9.5524 9.5524 9.6831 9.6831 9.7368 9.7368 9.8096 9.8096 9.9168 9.9168 9.9284 9.9284 10.0604 10.0604 10.1435 10.1435 10.1912 10.1912 10.4016 10.4016 10.6939 10.6939 10.9193 10.9193 11.4080 11.4080 11.5258 11.5258 11.8243 11.8243 k = 0.0000 0.1197-0.0000 ( 7642 PWs) bands (ev): -0.2691 -0.2691 1.2493 1.2493 1.2748 1.2748 1.6104 1.6104 5.2343 5.2343 5.3414 5.3414 5.7658 5.7658 6.9899 6.9899 7.0154 7.0154 7.3694 7.3694 7.6021 7.6021 7.6635 7.6635 7.7152 7.7152 7.7873 7.7873 7.8116 7.8116 8.6436 8.6436 8.7204 8.7204 8.7748 8.7748 8.9459 8.9459 8.9639 8.9639 9.0470 9.0470 9.3060 9.3060 9.4283 9.4283 9.5427 9.5427 9.7353 9.7353 9.7539 9.7539 9.8190 9.8190 9.8917 9.8917 9.9050 9.9050 10.0686 10.0686 10.1446 10.1446 10.1865 10.1865 10.4213 10.4213 10.6929 10.6929 10.9384 10.9384 11.3913 11.3913 11.5632 11.5632 11.7766 11.7766 k = 0.0000 0.1077-0.0000 ( 7646 PWs) bands (ev): -0.2949 -0.2949 1.2398 1.2398 1.3188 1.3188 1.6208 1.6208 5.2543 5.2543 5.3112 5.3112 5.7955 5.7955 6.9370 6.9370 6.9901 6.9901 7.3577 7.3577 7.5767 7.5767 7.6923 7.6923 7.7264 7.7264 7.7949 7.7949 7.8254 7.8254 8.6276 8.6276 8.7159 8.7159 8.7613 8.7613 8.9606 8.9606 8.9766 8.9766 9.0294 9.0294 9.3002 9.3002 9.4318 9.4318 9.5344 9.5344 9.7668 9.7668 9.7864 9.7864 9.8316 9.8316 9.8650 9.8650 9.8862 9.8862 10.0767 10.0767 10.1461 10.1461 10.1819 10.1819 10.4414 10.4414 10.6916 10.6916 10.9595 10.9595 11.3762 11.3762 11.5991 11.5991 11.7296 11.7296 k = 0.0000 0.0957-0.0000 ( 7638 PWs) bands (ev): -0.3180 -0.3180 1.2309 1.2309 1.3583 1.3583 1.6320 1.6320 5.2695 5.2695 5.2799 5.2799 5.8366 5.8366 6.8814 6.8814 6.9662 6.9662 7.3471 7.3471 7.5538 7.5538 7.6982 7.6982 7.7506 7.7506 7.8027 7.8027 7.8449 7.8449 8.6114 8.6114 8.7113 8.7113 8.7482 8.7482 8.9727 8.9727 8.9807 8.9807 9.0216 9.0216 9.2957 9.2957 9.4338 9.4338 9.5276 9.5276 9.7793 9.7793 9.8139 9.8139 9.8379 9.8379 9.8605 9.8605 9.8764 9.8764 10.0840 10.0840 10.1479 10.1479 10.1776 10.1776 10.4612 10.4612 10.6902 10.6902 10.9824 10.9824 11.3626 11.3626 11.6329 11.6329 11.6837 11.6837 k = 0.0000 0.0838-0.0000 ( 7634 PWs) bands (ev): -0.3385 -0.3385 1.2230 1.2230 1.3924 1.3924 1.6442 1.6442 5.2374 5.2374 5.2936 5.2936 5.8853 5.8853 6.8237 6.8237 6.9439 6.9439 7.3376 7.3376 7.5335 7.5335 7.6977 7.6977 7.7698 7.7698 7.8101 7.8101 7.8716 7.8716 8.5954 8.5954 8.7068 8.7068 8.7359 8.7359 8.9655 8.9655 8.9915 8.9915 9.0255 9.0255 9.2921 9.2921 9.4345 9.4345 9.5225 9.5225 9.7842 9.7842 9.8136 9.8136 9.8240 9.8240 9.8640 9.8640 9.9141 9.9141 10.0903 10.0903 10.1497 10.1497 10.1738 10.1738 10.4802 10.4802 10.6886 10.6886 11.0066 11.0066 11.3504 11.3504 11.6389 11.6389 11.6647 11.6647 k = 0.0000 0.0718-0.0000 ( 7628 PWs) bands (ev): -0.3563 -0.3563 1.2160 1.2160 1.4209 1.4209 1.6570 1.6570 5.2020 5.2020 5.3107 5.3107 5.9390 5.9390 6.7644 6.7644 6.9236 6.9236 7.3292 7.3292 7.5159 7.5159 7.6959 7.6959 7.7819 7.7819 7.8165 7.8165 7.9026 7.9026 8.5801 8.5801 8.7027 8.7027 8.7247 8.7247 8.9505 8.9505 9.0052 9.0052 9.0330 9.0330 9.2893 9.2893 9.4339 9.4339 9.5189 9.5189 9.7745 9.7745 9.8004 9.8004 9.8288 9.8288 9.8645 9.8645 9.9624 9.9624 10.0958 10.0958 10.1517 10.1517 10.1707 10.1707 10.4978 10.4978 10.6870 10.6870 11.0319 11.0319 11.3396 11.3396 11.5962 11.5962 11.6936 11.6936 k = 0.0000 0.0598-0.0000 ( 7631 PWs) bands (ev): -0.3715 -0.3715 1.2100 1.2100 1.4437 1.4437 1.6700 1.6700 5.1697 5.1697 5.3261 5.3261 5.9957 5.9957 6.7040 6.7040 6.9056 6.9056 7.3220 7.3220 7.5009 7.5009 7.6940 7.6940 7.7898 7.7898 7.8217 7.8217 7.9335 7.9335 8.5658 8.5658 8.6989 8.6989 8.7147 8.7147 8.9353 8.9353 9.0183 9.0183 9.0404 9.0404 9.2872 9.2872 9.4323 9.4323 9.5167 9.5167 9.7562 9.7562 9.7911 9.7911 9.8367 9.8367 9.8676 9.8676 10.0069 10.0069 10.1010 10.1010 10.1536 10.1536 10.1683 10.1683 10.5137 10.5137 10.6854 10.6854 11.0575 11.0575 11.3303 11.3303 11.5556 11.5556 11.7194 11.7194 k = 0.0000 0.0479-0.0000 ( 7625 PWs) bands (ev): -0.3839 -0.3839 1.2050 1.2050 1.4613 1.4613 1.6825 1.6825 5.1417 5.1417 5.3394 5.3394 6.0539 6.0539 6.6435 6.6435 6.8903 6.8903 7.3161 7.3161 7.4886 7.4886 7.6922 7.6922 7.7952 7.7952 7.8260 7.8260 7.9616 7.9616 8.5531 8.5531 8.6958 8.6958 8.7064 8.7064 8.9217 8.9217 9.0300 9.0300 9.0466 9.0466 9.2855 9.2855 9.4300 9.4300 9.5156 9.5156 9.7382 9.7382 9.7829 9.7829 9.8451 9.8451 9.8712 9.8712 10.0440 10.0440 10.1072 10.1072 10.1555 10.1555 10.1665 10.1665 10.5274 10.5274 10.6840 10.6840 11.0827 11.0827 11.3224 11.3224 11.5182 11.5182 11.7419 11.7419 k = 0.0000 0.0359-0.0000 ( 7617 PWs) bands (ev): -0.3935 -0.3935 1.2011 1.2011 1.4741 1.4741 1.6936 1.6936 5.1192 5.1192 5.3502 5.3502 6.1115 6.1115 6.5844 6.5844 6.8781 6.8781 7.3115 7.3115 7.4791 7.4791 7.6906 7.6906 7.7991 7.7991 7.8292 7.8292 7.9851 7.9851 8.5426 8.5426 8.6932 8.6932 8.6997 8.6997 8.9104 8.9104 9.0399 9.0399 9.0514 9.0514 9.2842 9.2842 9.4275 9.4275 9.5155 9.5155 9.7228 9.7228 9.7760 9.7760 9.8526 9.8526 9.8742 9.8742 10.0695 10.0695 10.1171 10.1171 10.1573 10.1573 10.1652 10.1652 10.5385 10.5385 10.6828 10.6828 11.1062 11.1062 11.3162 11.3162 11.4853 11.4853 11.7604 11.7604 k = 0.0000 0.0239-0.0000 ( 7621 PWs) bands (ev): -0.4005 -0.4005 1.1983 1.1983 1.4828 1.4828 1.7022 1.7022 5.1026 5.1026 5.3582 5.3582 6.1653 6.1653 6.5297 6.5297 6.8691 6.8691 7.3082 7.3082 7.4722 7.4722 7.6894 7.6894 7.8017 7.8017 7.8315 7.8315 8.0027 8.0027 8.5346 8.5346 8.6914 8.6914 8.6948 8.6948 8.9019 8.9019 9.0477 9.0477 9.0545 9.0545 9.2833 9.2833 9.4252 9.4252 9.5158 9.5158 9.7112 9.7112 9.7709 9.7709 9.8586 9.8586 9.8763 9.8763 10.0819 10.0819 10.1307 10.1307 10.1589 10.1589 10.1643 10.1643 10.5467 10.5467 10.6818 10.6818 11.1261 11.1261 11.3116 11.3116 11.4586 11.4586 11.7743 11.7743 k = 0.0000 0.0120-0.0000 ( 7623 PWs) bands (ev): -0.4046 -0.4046 1.1966 1.1966 1.4877 1.4877 1.7077 1.7077 5.0925 5.0925 5.3630 5.3630 6.2081 6.2081 6.4863 6.4863 6.8637 6.8637 7.3062 7.3062 7.4681 7.4681 7.6887 7.6887 7.8033 7.8033 7.8328 7.8328 8.0136 8.0136 8.5297 8.5297 8.6902 8.6902 8.6919 8.6919 8.8967 8.8967 9.0529 9.0529 9.0561 9.0561 9.2828 9.2828 9.4236 9.4236 9.5163 9.5163 9.7039 9.7039 9.7678 9.7678 9.8625 9.8625 9.8775 9.8775 10.0866 10.0866 10.1418 10.1418 10.1603 10.1603 10.1637 10.1637 10.5518 10.5518 10.6813 10.6813 11.1398 11.1398 11.3088 11.3088 11.4408 11.4408 11.7830 11.7830 k = 0.0000 0.0000 0.0000 ( 7629 PWs) bands (ev): -0.4060 -0.4060 1.1961 1.1961 1.4894 1.4894 1.7096 1.7096 5.0891 5.0891 5.3647 5.3647 6.2259 6.2259 6.4684 6.4684 6.8618 6.8618 7.3055 7.3055 7.4667 7.4667 7.6884 7.6884 7.8038 7.8038 7.8333 7.8333 8.0173 8.0173 8.5280 8.5280 8.6898 8.6898 8.6909 8.6909 8.8949 8.8949 9.0553 9.0553 9.0559 9.0559 9.2826 9.2826 9.4230 9.4230 9.5164 9.5164 9.7014 9.7014 9.7668 9.7668 9.8639 9.8639 9.8778 9.8778 10.0877 10.0877 10.1458 10.1458 10.1609 10.1609 10.1635 10.1635 10.5535 10.5535 10.6811 10.6811 11.1448 11.1448 11.3078 11.3078 11.4344 11.4344 11.7860 11.7860 k = 0.0000 0.0000 0.0000 ( 7629 PWs) bands (ev): -0.4060 -0.4060 1.1961 1.1961 1.4894 1.4894 1.7096 1.7096 5.0891 5.0891 5.3647 5.3647 6.2259 6.2259 6.4684 6.4684 6.8618 6.8618 7.3055 7.3055 7.4667 7.4667 7.6884 7.6884 7.8038 7.8038 7.8333 7.8333 8.0173 8.0173 8.5280 8.5280 8.6898 8.6898 8.6909 8.6909 8.8949 8.8949 9.0553 9.0553 9.0559 9.0559 9.2826 9.2826 9.4230 9.4230 9.5164 9.5164 9.7014 9.7014 9.7668 9.7668 9.8639 9.8639 9.8778 9.8778 10.0877 10.0877 10.1458 10.1458 10.1609 10.1609 10.1635 10.1635 10.5535 10.5535 10.6811 10.6811 11.1448 11.1448 11.3078 11.3078 11.4344 11.4344 11.7860 11.7860 k = 0.0000 0.0000 0.0120 ( 7623 PWs) bands (ev): -0.4047 -0.4047 1.1896 1.1896 1.4936 1.4936 1.7097 1.7097 5.0884 5.0884 5.3705 5.3705 6.2258 6.2258 6.4664 6.4664 6.8597 6.8597 7.3052 7.3052 7.4661 7.4661 7.6867 7.6867 7.8050 7.8050 7.8346 7.8346 8.0188 8.0188 8.5230 8.5230 8.6881 8.6881 8.6965 8.6965 8.8943 8.8943 9.0449 9.0449 9.0684 9.0684 9.2780 9.2780 9.4225 9.4225 9.5211 9.5211 9.7003 9.7003 9.7668 9.7668 9.8637 9.8637 9.8717 9.8717 10.0912 10.0912 10.1475 10.1475 10.1602 10.1602 10.1640 10.1640 10.5486 10.5486 10.6876 10.6876 11.1448 11.1448 11.3031 11.3031 11.4323 11.4323 11.7841 11.7841 k = 0.0000 0.0000 0.0240 ( 7623 PWs) bands (ev): -0.4007 -0.4007 1.1713 1.1713 1.5052 1.5052 1.7101 1.7101 5.0868 5.0868 5.3875 5.3875 6.2254 6.2254 6.4607 6.4607 6.8532 6.8532 7.3042 7.3042 7.4643 7.4643 7.6814 7.6814 7.8085 7.8085 7.8385 7.8385 8.0233 8.0233 8.5095 8.5095 8.6847 8.6847 8.7104 8.7104 8.8926 8.8926 9.0364 9.0364 9.0830 9.0830 9.2652 9.2652 9.4209 9.4209 9.5339 9.5339 9.6966 9.6966 9.7671 9.7671 9.8556 9.8556 9.8632 9.8632 10.0990 10.0990 10.1520 10.1520 10.1587 10.1587 10.1667 10.1667 10.5365 10.5365 10.7046 10.7046 11.1449 11.1449 11.2894 11.2894 11.4259 11.4259 11.7785 11.7785 k = 0.0000 0.0000 0.0360 ( 7619 PWs) bands (ev): -0.3942 -0.3942 1.1435 1.1435 1.5218 1.5218 1.7106 1.7106 5.0852 5.0852 5.4146 5.4146 6.2248 6.2248 6.4510 6.4510 6.8427 6.8427 7.3028 7.3028 7.4613 7.4613 7.6728 7.6728 7.8142 7.8142 7.8451 7.8451 8.0310 8.0310 8.4902 8.4902 8.6791 8.6791 8.7296 8.7296 8.8901 8.8901 9.0301 9.0301 9.0994 9.0994 9.2466 9.2466 9.4186 9.4186 9.5521 9.5521 9.6894 9.6894 9.7675 9.7675 9.8341 9.8341 9.8624 9.8624 10.1064 10.1064 10.1550 10.1550 10.1571 10.1571 10.1758 10.1758 10.5216 10.5216 10.7277 10.7277 11.1449 11.1449 11.2677 11.2677 11.4156 11.4156 11.7698 11.7698 k = 0.0000 0.0000 0.0479 ( 7619 PWs) bands (ev): -0.3850 -0.3850 1.1087 1.1087 1.5411 1.5411 1.7114 1.7114 5.0848 5.0848 5.4504 5.4504 6.2242 6.2242 6.4373 6.4373 6.8284 6.8284 7.3008 7.3008 7.4572 7.4572 7.6611 7.6611 7.8214 7.8214 7.8542 7.8542 8.0421 8.0421 8.4673 8.4673 8.6713 8.6713 8.7514 8.7514 8.8874 8.8874 9.0261 9.0261 9.1170 9.1170 9.2246 9.2246 9.4155 9.4155 9.5730 9.5730 9.6773 9.6773 9.7685 9.7685 9.8119 9.8119 9.8618 9.8618 10.1105 10.1105 10.1525 10.1525 10.1577 10.1577 10.1926 10.1926 10.5067 10.5067 10.7541 10.7541 11.1448 11.1448 11.2394 11.2394 11.4017 11.4017 11.7585 11.7585 k = 0.0000 0.0000 0.0599 ( 7619 PWs) bands (ev): -0.3732 -0.3732 1.0687 1.0687 1.5615 1.5615 1.7125 1.7125 5.0865 5.0865 5.4939 5.4939 6.2237 6.2237 6.4195 6.4195 6.8106 6.8106 7.2985 7.2985 7.4520 7.4520 7.6463 7.6463 7.8297 7.8297 7.8659 7.8659 8.0569 8.0569 8.4419 8.4419 8.6612 8.6612 8.7731 8.7731 8.8854 8.8854 9.0245 9.0245 9.1345 9.1345 9.2021 9.2021 9.4116 9.4116 9.5940 9.5940 9.6589 9.6589 9.7700 9.7700 9.7928 9.7928 9.8618 9.8618 10.1110 10.1110 10.1482 10.1482 10.1589 10.1589 10.2131 10.2131 10.4935 10.4935 10.7823 10.7823 11.1446 11.1446 11.2060 11.2060 11.3847 11.3847 11.7455 11.7455 k = 0.0000 0.0000 0.0719 ( 7613 PWs) bands (ev): -0.3589 -0.3589 1.0248 1.0248 1.5818 1.5818 1.7137 1.7137 5.0912 5.0912 5.5439 5.5439 6.2234 6.2234 6.3975 6.3975 6.7898 6.7898 7.2960 7.2960 7.4459 7.4459 7.6287 7.6287 7.8387 7.8387 7.8799 7.8799 8.0754 8.0754 8.4145 8.4145 8.6489 8.6489 8.7915 8.7915 8.8866 8.8866 9.0251 9.0251 9.1449 9.1449 9.1874 9.1874 9.4069 9.4069 9.6093 9.6093 9.6377 9.6377 9.7724 9.7724 9.7790 9.7790 9.8631 9.8631 10.1085 10.1085 10.1424 10.1424 10.1607 10.1607 10.2345 10.2345 10.4825 10.4825 10.8115 10.8115 11.1440 11.1440 11.1691 11.1691 11.3653 11.3653 11.7318 11.7318 k = 0.0000 0.0000 0.0839 ( 7625 PWs) bands (ev): -0.3420 -0.3420 0.9779 0.9779 1.6014 1.6014 1.7151 1.7151 5.0992 5.0992 5.5998 5.5998 6.2236 6.2236 6.3713 6.3713 6.7664 6.7664 7.2933 7.2933 7.4389 7.4389 7.6085 7.6085 7.8478 7.8478 7.8960 7.8960 8.0979 8.0979 8.3854 8.3854 8.6346 8.6346 8.8026 8.8026 8.8943 8.8943 9.0279 9.0279 9.1326 9.1326 9.1967 9.1967 9.4012 9.4012 9.5924 9.5924 9.6396 9.6396 9.7701 9.7701 9.7760 9.7760 9.8666 9.8666 10.1034 10.1034 10.1352 10.1352 10.1629 10.1629 10.2555 10.2555 10.4740 10.4740 10.8414 10.8414 11.1278 11.1278 11.1451 11.1451 11.3442 11.3442 11.7186 11.7186 k = 0.0000 0.0000 0.0959 ( 7625 PWs) bands (ev): -0.3226 -0.3226 0.9287 0.9287 1.6198 1.6198 1.7166 1.7166 5.1108 5.1108 5.6608 5.6608 6.2245 6.2245 6.3407 6.3407 6.7410 6.7410 7.2908 7.2908 7.4312 7.4312 7.5857 7.5857 7.8568 7.8568 7.9140 7.9140 8.1243 8.1243 8.3548 8.3548 8.6183 8.6183 8.8047 8.8047 8.9097 8.9097 9.0328 9.0328 9.1092 9.1092 9.2189 9.2189 9.3947 9.3947 9.5576 9.5576 9.6511 9.6511 9.7651 9.7651 9.7809 9.7809 9.8733 9.8733 10.0964 10.0964 10.1264 10.1264 10.1651 10.1651 10.2752 10.2752 10.4679 10.4679 10.8718 10.8718 11.0873 11.0873 11.1436 11.1436 11.3218 11.3218 11.7068 11.7068 k = 0.0000 0.0000 0.1079 ( 7623 PWs) bands (ev): -0.3007 -0.3007 0.8777 0.8777 1.6368 1.6368 1.7183 1.7183 5.1262 5.1262 5.7264 5.7264 6.2264 6.2264 6.3060 6.3060 6.7141 6.7141 7.2884 7.2884 7.4228 7.4228 7.5602 7.5602 7.8656 7.8656 7.9338 7.9338 8.1544 8.1544 8.3228 8.3228 8.6003 8.6003 8.7999 8.7999 8.9303 8.9303 9.0395 9.0395 9.0842 9.0842 9.2450 9.2450 9.3873 9.3873 9.5196 9.5196 9.6585 9.6585 9.7628 9.7628 9.7868 9.7868 9.8839 9.8839 10.0881 10.0881 10.1161 10.1161 10.1666 10.1666 10.2934 10.2934 10.4639 10.4639 10.9027 10.9027 11.0457 11.0457 11.1422 11.1422 11.2989 11.2989 11.6977 11.6977 k = 0.0000 0.0000 0.1199 ( 7617 PWs) bands (ev): -0.2764 -0.2764 0.8253 0.8253 1.6523 1.6523 1.7201 1.7201 5.1454 5.1454 5.7960 5.7960 6.2295 6.2295 6.2673 6.2673 6.6861 6.6861 7.2863 7.2863 7.4140 7.4140 7.5318 7.5318 7.8740 7.8740 7.9550 7.9550 8.1878 8.1878 8.2897 8.2897 8.5808 8.5808 8.7911 8.7911 8.9522 8.9522 9.0478 9.0478 9.0602 9.0602 9.2731 9.2731 9.3791 9.3791 9.4810 9.4810 9.6605 9.6605 9.7627 9.7627 9.7937 9.7937 9.8982 9.8982 10.0788 10.0788 10.1045 10.1045 10.1669 10.1669 10.3099 10.3099 10.4616 10.4616 10.9340 10.9340 11.0042 11.0042 11.1404 11.1404 11.2760 11.2760 11.6921 11.6921 k = 0.0000 0.0000 0.1318 ( 7630 PWs) bands (ev): -0.2496 -0.2496 0.7718 0.7718 1.6663 1.6663 1.7219 1.7219 5.1683 5.1683 5.8690 5.8690 6.2246 6.2246 6.2343 6.2343 6.6573 6.6573 7.2845 7.2845 7.4047 7.4047 7.5002 7.5002 7.8820 7.8820 7.9776 7.9776 8.2241 8.2241 8.2558 8.2558 8.5598 8.5598 8.7802 8.7802 8.9716 8.9716 9.0384 9.0384 9.0582 9.0582 9.3022 9.3022 9.3707 9.3707 9.4435 9.4435 9.6573 9.6573 9.7643 9.7643 9.8011 9.8011 9.9153 9.9153 10.0686 10.0686 10.0923 10.0923 10.1657 10.1657 10.3246 10.3246 10.4608 10.4608 10.9583 10.9583 10.9708 10.9708 11.1381 11.1381 11.2536 11.2536 11.6909 11.6909 k = 0.0000 0.0000 0.1438 ( 7624 PWs) bands (ev): -0.2206 -0.2206 0.7176 0.7176 1.6787 1.6787 1.7238 1.7238 5.1949 5.1949 5.9446 5.9446 6.1789 6.1789 6.2409 6.2409 6.6282 6.6282 7.2832 7.2832 7.3952 7.3952 7.4649 7.4649 7.8898 7.8898 8.0013 8.0013 8.2215 8.2215 8.2629 8.2629 8.5376 8.5376 8.7683 8.7683 8.9806 8.9806 9.0271 9.0271 9.0690 9.0690 9.3286 9.3286 9.3656 9.3656 9.4088 9.4088 9.6496 9.6496 9.7675 9.7675 9.8088 9.8088 9.9329 9.9329 10.0575 10.0575 10.0812 10.0812 10.1628 10.1628 10.3372 10.3372 10.4614 10.4614 10.9218 10.9218 10.9998 10.9998 11.1353 11.1353 11.2322 11.2322 11.6946 11.6946 k = 0.0000 0.0000 0.1558 ( 7634 PWs) bands (ev): -0.1892 -0.1892 0.6628 0.6628 1.6897 1.6897 1.7257 1.7257 5.2251 5.2251 6.0211 6.0211 6.1306 6.1306 6.2505 6.2505 6.5989 6.5989 7.2824 7.2824 7.3855 7.3855 7.4254 7.4254 7.8974 7.8974 8.0260 8.0260 8.1878 8.1878 8.3032 8.3032 8.5144 8.5144 8.7561 8.7561 8.9713 8.9713 9.0319 9.0319 9.0804 9.0804 9.3361 9.3361 9.3777 9.3777 9.3809 9.3809 9.6384 9.6384 9.7722 9.7722 9.8166 9.8166 9.9478 9.9478 10.0441 10.0441 10.0747 10.0747 10.1580 10.1580 10.3471 10.3471 10.4637 10.4637 10.8829 10.8829 11.0328 11.0328 11.1323 11.1323 11.2122 11.2122 11.7035 11.7035 k = 0.0000 0.0000 0.1678 ( 7620 PWs) bands (ev): -0.1556 -0.1556 0.6078 0.6078 1.6992 1.6992 1.7276 1.7276 5.2587 5.2587 6.0708 6.0708 6.1060 6.1060 6.2650 6.2650 6.5697 6.5697 7.2819 7.2819 7.3742 7.3742 7.3829 7.3829 7.9049 7.9049 8.0514 8.0514 8.1552 8.1552 8.3446 8.3446 8.4906 8.4906 8.7441 8.7441 8.9543 8.9543 9.0409 9.0409 9.0915 9.0915 9.3274 9.3274 9.3554 9.3554 9.4108 9.4108 9.6242 9.6242 9.7783 9.7783 9.8239 9.8239 9.9565 9.9565 10.0285 10.0285 10.0761 10.0761 10.1517 10.1517 10.3535 10.3535 10.4685 10.4685 10.8454 10.8454 11.0662 11.0662 11.1294 11.1294 11.1938 11.1938 11.6973 11.6974 k = 0.0000 0.0000 0.1798 ( 7612 PWs) bands (ev): -0.1198 -0.1198 0.5528 0.5528 1.7074 1.7074 1.7294 1.7294 5.2956 5.2956 6.0222 6.0222 6.1709 6.1709 6.2898 6.2898 6.5408 6.5408 7.2810 7.2810 7.3320 7.3320 7.3672 7.3672 7.9123 7.9123 8.0773 8.0773 8.1246 8.1246 8.3860 8.3860 8.4666 8.4666 8.7325 8.7325 8.9370 8.9370 9.0447 9.0447 9.1026 9.1026 9.3151 9.3151 9.3415 9.3415 9.4453 9.4453 9.6077 9.6077 9.7856 9.7856 9.8297 9.8297 9.9571 9.9571 10.0122 10.0122 10.0852 10.0852 10.1449 10.1449 10.3556 10.3556 10.4762 10.4762 10.8095 10.8095 11.0978 11.0978 11.1288 11.1288 11.1776 11.1776 11.6579 11.6579 k = 0.0000 0.0000 0.1918 ( 7614 PWs) bands (ev): -0.0820 -0.0820 0.4980 0.4980 1.7142 1.7142 1.7310 1.7310 5.3357 5.3357 5.9674 5.9674 6.2221 6.2221 6.3364 6.3364 6.5124 6.5124 7.2654 7.2654 7.2936 7.2936 7.3576 7.3576 7.9200 7.9200 8.0922 8.0922 8.1079 8.1079 8.4201 8.4201 8.4491 8.4491 8.7214 8.7214 8.9214 8.9214 9.0393 9.0393 9.1146 9.1146 9.3013 9.3013 9.3381 9.3381 9.4810 9.4810 9.5895 9.5895 9.7938 9.7938 9.8325 9.8325 9.9510 9.9510 9.9977 9.9977 10.0957 10.0957 10.1418 10.1418 10.3531 10.3531 10.4872 10.4872 10.7751 10.7751 11.1139 11.1139 11.1424 11.1424 11.1654 11.1654 11.6175 11.6175 k = 0.0000 0.0000 0.2038 ( 7616 PWs) bands (ev): -0.0421 -0.0421 0.4436 0.4436 1.7199 1.7199 1.7324 1.7324 5.3786 5.3786 5.9111 5.9111 6.2530 6.2530 6.4060 6.4060 6.4850 6.4850 7.2098 7.2098 7.2900 7.2900 7.3485 7.3485 7.9278 7.9278 8.0683 8.0683 8.1330 8.1330 8.4087 8.4087 8.4759 8.4759 8.7106 8.7106 8.9084 8.9084 9.0246 9.0246 9.1281 9.1281 9.2866 9.2866 9.3445 9.3445 9.5162 9.5162 9.5710 9.5710 9.8023 9.8023 9.8306 9.8306 9.9407 9.9407 9.9876 9.9876 10.0965 10.0965 10.1506 10.1506 10.3463 10.3463 10.5012 10.5012 10.7424 10.7424 11.1141 11.1141 11.1464 11.1464 11.1820 11.1820 11.5767 11.5767 k = 0.0000 0.0000 0.2158 ( 7622 PWs) bands (ev): -0.0004 -0.0004 0.3898 0.3898 1.7246 1.7246 1.7335 1.7335 5.4242 5.4242 5.8542 5.8542 6.2752 6.2752 6.4550 6.4550 6.4903 6.4903 7.1438 7.1438 7.2920 7.2920 7.3398 7.3398 7.9361 7.9361 8.0452 8.0452 8.1605 8.1605 8.3833 8.3833 8.5145 8.5145 8.6999 8.6999 8.8990 8.8990 9.0033 9.0033 9.1428 9.1428 9.2713 9.2713 9.3584 9.3584 9.5360 9.5360 9.5669 9.5669 9.8059 9.8059 9.8268 9.8268 9.9282 9.9282 9.9840 9.9840 10.0869 10.0869 10.1702 10.1702 10.3356 10.3356 10.5178 10.5178 10.7113 10.7113 11.1124 11.1124 11.1369 11.1369 11.2173 11.2173 11.5356 11.5356 k = 0.0000 0.0000 0.2277 ( 7632 PWs) bands (ev): 0.0432 0.0432 0.3368 0.3368 1.7282 1.7282 1.7343 1.7343 5.4723 5.4723 5.7970 5.7970 6.2952 6.2952 6.4302 6.4302 6.5743 6.5743 7.0722 7.0722 7.2953 7.2953 7.3316 7.3316 7.9450 7.9450 8.0247 8.0247 8.1884 8.1884 8.3564 8.3564 8.5517 8.5517 8.6885 8.6885 8.8940 8.8940 8.9787 8.9787 9.1583 9.1583 9.2555 9.2555 9.3773 9.3773 9.5193 9.5193 9.5981 9.5981 9.7927 9.7927 9.8327 9.8327 9.9145 9.9145 9.9874 9.9874 10.0727 10.0727 10.1937 10.1937 10.3217 10.3217 10.5365 10.5365 10.6818 10.6818 11.1110 11.1110 11.1284 11.1284 11.2547 11.2547 11.4945 11.4945 k = 0.0000 0.0000 0.2397 ( 7634 PWs) bands (ev): 0.0885 0.0885 0.2847 0.2847 1.7309 1.7309 1.7348 1.7348 5.5225 5.5225 5.7401 5.7401 6.3152 6.3152 6.4051 6.4051 6.6609 6.6609 6.9959 6.9959 7.2995 7.2995 7.3239 7.3239 7.9546 7.9546 8.0067 8.0067 8.2166 8.2166 8.3289 8.3289 8.5857 8.5857 8.6756 8.6756 8.8942 8.8942 8.9538 8.9538 9.1742 9.1742 9.2395 9.2395 9.3993 9.3993 9.4964 9.4964 9.6344 9.6344 9.7684 9.7684 9.8442 9.8442 9.9001 9.9001 9.9964 9.9964 10.0568 10.0568 10.2180 10.2180 10.3049 10.3049 10.5570 10.5570 10.6539 10.6539 11.1104 11.1104 11.1216 11.1216 11.2932 11.2932 11.4535 11.4535 k = 0.0000 0.0000 0.2517 ( 7638 PWs) bands (ev): 0.1354 0.1354 0.2336 0.2336 1.7329 1.7329 1.7347 1.7347 5.5748 5.5748 5.6839 5.6839 6.3361 6.3361 6.3810 6.3810 6.7475 6.7475 6.9158 6.9158 7.3045 7.3045 7.3168 7.3168 7.9653 7.9653 7.9911 7.9911 8.2448 8.2448 8.3011 8.3011 8.6153 8.6153 8.6598 8.6598 8.9004 8.9004 8.9312 8.9312 9.1904 9.1904 9.2232 9.2232 9.4230 9.4230 9.4722 9.4722 9.6706 9.6706 9.7387 9.7387 9.8573 9.8573 9.8856 9.8856 10.0091 10.0091 10.0404 10.0404 10.2418 10.2418 10.2858 10.2858 10.5790 10.5790 10.6275 10.6275 11.1111 11.1111 11.1165 11.1165 11.3324 11.3324 11.4127 11.4127 k = 0.0000 0.0000 0.2637 ( 7636 PWs) bands (ev): 0.1839 0.1839 0.1839 0.1839 1.7341 1.7341 1.7341 1.7341 5.6287 5.6287 5.6287 5.6287 6.3579 6.3579 6.3579 6.3579 6.8327 6.8327 6.8327 6.8327 7.3103 7.3103 7.3103 7.3103 7.9774 7.9774 7.9774 7.9774 8.2730 8.2730 8.2730 8.2730 8.6400 8.6400 8.6400 8.6400 8.9129 8.9129 8.9129 8.9129 9.2068 9.2068 9.2068 9.2068 9.4476 9.4476 9.4476 9.4476 9.7057 9.7057 9.7057 9.7057 9.8713 9.8713 9.8713 9.8713 10.0241 10.0241 10.0241 10.0241 10.2646 10.2646 10.2646 10.2646 10.6025 10.6025 10.6025 10.6025 11.1130 11.1130 11.1130 11.1130 11.3723 11.3723 11.3723 11.3723 k = 0.0000 0.0000 0.2637 ( 7636 PWs) bands (ev): 0.1839 0.1839 0.1839 0.1839 1.7341 1.7341 1.7341 1.7341 5.6287 5.6287 5.6287 5.6287 6.3579 6.3579 6.3579 6.3579 6.8327 6.8327 6.8327 6.8327 7.3103 7.3103 7.3103 7.3103 7.9774 7.9774 7.9774 7.9774 8.2730 8.2730 8.2730 8.2730 8.6400 8.6400 8.6400 8.6400 8.9129 8.9129 8.9129 8.9129 9.2068 9.2068 9.2068 9.2068 9.4476 9.4476 9.4476 9.4476 9.7057 9.7057 9.7057 9.7057 9.8713 9.8713 9.8713 9.8713 10.0241 10.0241 10.0241 10.0241 10.2646 10.2646 10.2646 10.2646 10.6025 10.6025 10.6025 10.6025 11.1130 11.1130 11.1130 11.1130 11.3723 11.3723 11.3723 11.3723 k = 0.0122-0.0000 0.2637 ( 7634 PWs) bands (ev): 0.1851 0.1851 0.1852 0.1852 1.7341 1.7341 1.7341 1.7341 5.6297 5.6297 5.6307 5.6307 6.3578 6.3578 6.3595 6.3595 6.8312 6.8312 6.8326 6.8326 7.3109 7.3109 7.3119 7.3119 7.9700 7.9700 7.9759 7.9759 8.2724 8.2724 8.2758 8.2758 8.6403 8.6403 8.6408 8.6408 8.9072 8.9072 8.9104 8.9104 9.2078 9.2078 9.2122 9.2122 9.4446 9.4446 9.4473 9.4473 9.7010 9.7010 9.7043 9.7043 9.8727 9.8727 9.8728 9.8728 10.0186 10.0186 10.0234 10.0234 10.2674 10.2674 10.2686 10.2686 10.6009 10.6009 10.6021 10.6021 11.1118 11.1118 11.1149 11.1149 11.3708 11.3708 11.3714 11.3714 k = 0.0244-0.0000 0.2637 ( 7626 PWs) bands (ev): 0.1889 0.1889 0.1891 0.1891 1.7342 1.7342 1.7342 1.7342 5.6339 5.6339 5.6358 5.6358 6.3589 6.3589 6.3625 6.3625 6.8282 6.8282 6.8308 6.8308 7.3137 7.3137 7.3155 7.3155 7.9542 7.9542 7.9657 7.9657 8.2738 8.2738 8.2803 8.2803 8.6418 8.6418 8.6428 8.6428 8.8941 8.8941 8.9000 8.9000 9.2147 9.2147 9.2231 9.2231 9.4386 9.4386 9.4434 9.4434 9.6912 9.6912 9.6974 9.6974 9.8765 9.8765 9.8766 9.8766 10.0086 10.0086 10.0171 10.0171 10.2761 10.2761 10.2779 10.2779 10.5972 10.5972 10.5996 10.5996 11.1111 11.1111 11.1173 11.1173 11.3671 11.3671 11.3681 11.3681 k = 0.0366-0.0000 0.2637 ( 7628 PWs) bands (ev): 0.1952 0.1952 0.1956 0.1956 1.7344 1.7344 1.7344 1.7344 5.6411 5.6411 5.6439 5.6439 6.3614 6.3614 6.3668 6.3668 6.8237 6.8237 6.8276 6.8276 7.3184 7.3184 7.3211 7.3211 7.9308 7.9308 7.9473 7.9473 8.2767 8.2767 8.2858 8.2858 8.6443 8.6443 8.6459 8.6459 8.8751 8.8751 8.8832 8.8832 9.2257 9.2257 9.2379 9.2379 9.4295 9.4295 9.4356 9.4356 9.6782 9.6782 9.6863 9.6863 9.8805 9.8805 9.8809 9.8809 9.9977 9.9977 10.0084 10.0084 10.2883 10.2883 10.2899 10.2899 10.5917 10.5917 10.5952 10.5952 11.1102 11.1102 11.1195 11.1195 11.3627 11.3627 11.3636 11.3636 k = 0.0488-0.0000 0.2637 ( 7636 PWs) bands (ev): 0.2042 0.2042 0.2047 0.2047 1.7346 1.7346 1.7346 1.7346 5.6513 5.6513 5.6551 5.6551 6.3650 6.3650 6.3722 6.3722 6.8183 6.8183 6.8233 6.8233 7.3247 7.3247 7.3282 7.3282 7.9009 7.9009 7.9218 7.9218 8.2802 8.2802 8.2914 8.2914 8.6479 8.6479 8.6500 8.6500 8.8520 8.8520 8.8617 8.8617 9.2386 9.2386 9.2546 9.2546 9.4177 9.4177 9.4235 9.4235 9.6645 9.6645 9.6731 9.6731 9.8817 9.8817 9.8838 9.8838 9.9901 9.9901 10.0007 10.0007 10.3012 10.3012 10.3021 10.3021 10.5844 10.5844 10.5892 10.5892 11.1083 11.1083 11.1206 11.1206 11.3589 11.3589 11.3594 11.3594 k = 0.0610-0.0000 0.2637 ( 7632 PWs) bands (ev): 0.2156 0.2156 0.2162 0.2162 1.7348 1.7348 1.7349 1.7349 5.6644 5.6644 5.6692 5.6692 6.3695 6.3695 6.3786 6.3786 6.8122 6.8122 6.8183 6.8183 7.3321 7.3321 7.3364 7.3364 7.8653 7.8653 7.8901 7.8901 8.2833 8.2833 8.2963 8.2963 8.6525 8.6525 8.6551 8.6551 8.8262 8.8262 8.8373 8.8373 9.2509 9.2509 9.2715 9.2715 9.4039 9.4039 9.4068 9.4068 9.6524 9.6524 9.6598 9.6598 9.8779 9.8779 9.8832 9.8832 9.9888 9.9888 9.9972 9.9972 10.3124 10.3124 10.3127 10.3127 10.5757 10.5757 10.5816 10.5816 11.1045 11.1045 11.1195 11.1195 11.3573 11.3573 11.3575 11.3575 k = 0.0732-0.0000 0.2637 ( 7626 PWs) bands (ev): 0.2296 0.2296 0.2303 0.2303 1.7351 1.7351 1.7352 1.7352 5.6804 5.6804 5.6862 5.6862 6.3748 6.3748 6.3856 6.3856 6.8060 6.8060 6.8130 6.8130 7.3400 7.3400 7.3451 7.3451 7.8252 7.8252 7.8535 7.8535 8.2852 8.2852 8.2999 8.2999 8.6581 8.6581 8.6611 8.6611 8.7989 8.7989 8.8113 8.8113 9.2595 9.2595 9.2865 9.2865 9.3860 9.3860 9.3897 9.3897 9.6439 9.6439 9.6484 9.6484 9.8690 9.8690 9.8782 9.8782 9.9943 9.9943 9.9990 9.9990 10.3196 10.3196 10.3215 10.3215 10.5659 10.5659 10.5729 10.5729 11.0976 11.0976 11.1149 11.1149 11.3589 11.3589 11.3599 11.3599 k = 0.0854-0.0000 0.2637 ( 7626 PWs) bands (ev): 0.2460 0.2460 0.2469 0.2469 1.7355 1.7355 1.7355 1.7355 5.6992 5.6992 5.7059 5.7059 6.3804 6.3804 6.3930 6.3930 6.8001 6.8001 6.8080 6.8080 7.3477 7.3477 7.3534 7.3534 7.7817 7.7817 7.8131 7.8131 8.2852 8.2852 8.3014 8.3014 8.6644 8.6644 8.6680 8.6680 8.7711 8.7711 8.7848 8.7848 9.2610 9.2610 9.2967 9.2967 9.3640 9.3640 9.3778 9.3778 9.6401 9.6401 9.6404 9.6404 9.8567 9.8567 9.8694 9.8694 10.0047 10.0047 10.0055 10.0055 10.3231 10.3231 10.3266 10.3266 10.5553 10.5553 10.5633 10.5633 11.0873 11.0873 11.1061 11.1061 11.3654 11.3654 11.3667 11.3667 k = 0.0976-0.0000 0.2637 ( 7638 PWs) bands (ev): 0.2649 0.2649 0.2659 0.2659 1.7358 1.7358 1.7358 1.7358 5.7206 5.7206 5.7283 5.7283 6.3860 6.3860 6.4004 6.4004 6.7953 6.7953 6.8037 6.8037 7.3539 7.3539 7.3600 7.3600 7.7364 7.7364 7.7704 7.7704 8.2825 8.2825 8.3004 8.3004 8.6713 8.6713 8.6756 8.6756 8.7438 8.7438 8.7587 8.7587 9.2525 9.2525 9.2940 9.2940 9.3491 9.3491 9.3707 9.3707 9.6367 9.6367 9.6414 9.6414 9.8428 9.8428 9.8582 9.8582 10.0152 10.0152 10.0179 10.0179 10.3224 10.3224 10.3277 10.3277 10.5444 10.5444 10.5530 10.5530 11.0735 11.0735 11.0929 11.0929 11.3765 11.3765 11.3779 11.3779 k = 0.1098-0.0000 0.2637 ( 7644 PWs) bands (ev): 0.2862 0.2862 0.2873 0.2873 1.7361 1.7361 1.7361 1.7361 5.7444 5.7444 5.7531 5.7531 6.3911 6.3911 6.4071 6.4071 6.7919 6.7919 6.8008 6.8008 7.3570 7.3570 7.3630 7.3630 7.6916 7.6916 7.7276 7.7276 8.2767 8.2767 8.2963 8.2963 8.6785 8.6785 8.6838 8.6838 8.7181 8.7181 8.7339 8.7339 9.2347 9.2347 9.2727 9.2727 9.3482 9.3482 9.3687 9.3687 9.6377 9.6377 9.6474 9.6474 9.8280 9.8280 9.8458 9.8458 10.0265 10.0265 10.0327 10.0327 10.3178 10.3178 10.3249 10.3249 10.5333 10.5333 10.5425 10.5425 11.0565 11.0565 11.0761 11.0761 11.3917 11.3917 11.3929 11.3929 k = 0.1220-0.0000 0.2637 ( 7628 PWs) bands (ev): 0.3099 0.3099 0.3110 0.3110 1.7364 1.7364 1.7365 1.7365 5.7704 5.7704 5.7800 5.7800 6.3952 6.3952 6.4128 6.4128 6.7906 6.7906 6.7996 6.7996 7.3546 7.3546 7.3594 7.3594 7.6509 7.6509 7.6875 7.6875 8.2674 8.2674 8.2887 8.2887 8.6821 8.6821 8.6925 8.6925 8.6985 8.6985 8.7112 8.7112 9.2105 9.2105 9.2423 9.2423 9.3532 9.3532 9.3692 9.3692 9.6434 9.6434 9.6575 9.6575 9.8130 9.8130 9.8328 9.8328 10.0383 10.0383 10.0480 10.0480 10.3095 10.3095 10.3185 10.3185 10.5225 10.5225 10.5320 10.5320 11.0369 11.0369 11.0562 11.0562 11.4098 11.4098 11.4107 11.4107 k = 0.1341-0.0000 0.2637 ( 7640 PWs) bands (ev): 0.3358 0.3358 0.3371 0.3371 1.7367 1.7367 1.7367 1.7367 5.7983 5.7983 5.8089 5.8089 6.3980 6.3980 6.4168 6.4168 6.7917 6.7917 6.8006 6.8006 7.3436 7.3436 7.3453 7.3453 7.6186 7.6186 7.6537 7.6537 8.2543 8.2543 8.2772 8.2772 8.6673 8.6673 8.6896 8.6896 8.7002 8.7002 8.7030 8.7030 9.1832 9.1832 9.2092 9.2092 9.3587 9.3587 9.3704 9.3704 9.6531 9.6531 9.6707 9.6707 9.7979 9.7979 9.8197 9.8197 10.0498 10.0498 10.0632 10.0632 10.2979 10.2979 10.3088 10.3088 10.5121 10.5121 10.5216 10.5216 11.0154 11.0154 11.0340 11.0340 11.4297 11.4297 11.4302 11.4302 k = 0.1463-0.0000 0.2637 ( 7636 PWs) bands (ev): 0.3640 0.3640 0.3654 0.3654 1.7369 1.7369 1.7370 1.7370 5.8278 5.8278 5.8392 5.8392 6.3991 6.3991 6.4188 6.4188 6.7956 6.7956 6.8040 6.8040 7.3179 7.3179 7.3214 7.3214 7.5984 7.5984 7.6298 7.6298 8.2372 8.2372 8.2616 8.2616 8.6490 8.6490 8.6723 8.6723 8.7089 8.7089 8.7125 8.7125 9.1547 9.1547 9.1760 9.1760 9.3638 9.3638 9.3714 9.3714 9.6661 9.6661 9.6859 9.6859 9.7826 9.7826 9.8069 9.8069 10.0602 10.0602 10.0777 10.0777 10.2837 10.2837 10.2966 10.2966 10.5024 10.5024 10.5115 10.5115 10.9923 10.9923 11.0101 11.0101 11.4504 11.4504 11.4506 11.4506 k = 0.1585-0.0000 0.2637 ( 7636 PWs) bands (ev): 0.3944 0.3944 0.3959 0.3959 1.7370 1.7370 1.7372 1.7372 5.8583 5.8583 5.8704 5.8704 6.3982 6.3982 6.4184 6.4184 6.8019 6.8019 6.8097 6.8097 7.2782 7.2782 7.2879 7.2879 7.5907 7.5907 7.6171 7.6171 8.2163 8.2163 8.2418 8.2418 8.6331 8.6331 8.6575 8.6575 8.7187 8.7187 8.7229 8.7229 9.1263 9.1263 9.1437 9.1437 9.3683 9.3683 9.3719 9.3719 9.6814 9.6814 9.7018 9.7018 9.7671 9.7671 9.7950 9.7950 10.0689 10.0689 10.0909 10.0909 10.2673 10.2673 10.2825 10.2825 10.4935 10.4935 10.5020 10.5020 10.9681 10.9681 10.9850 10.9850 11.4709 11.4709 11.4710 11.4710 k = 0.1707-0.0000 0.2637 ( 7640 PWs) bands (ev): 0.4269 0.4269 0.4284 0.4284 1.7370 1.7370 1.7372 1.7372 5.8890 5.8890 5.9018 5.9018 6.3954 6.3954 6.4157 6.4157 6.8102 6.8102 6.8171 6.8171 7.2307 7.2307 7.2457 7.2457 7.5926 7.5926 7.6144 7.6144 8.1919 8.1919 8.2182 8.2182 8.6201 8.6201 8.6454 8.6454 8.7291 8.7291 8.7338 8.7338 9.0989 9.0989 9.1130 9.1130 9.3721 9.3721 9.3723 9.3723 9.6981 9.6981 9.7158 9.7158 9.7518 9.7518 9.7856 9.7856 10.0753 10.0753 10.1023 10.1023 10.2496 10.2496 10.2672 10.2672 10.4854 10.4854 10.4931 10.4931 10.9431 10.9431 10.9589 10.9589 11.4906 11.4906 11.4907 11.4907 k = 0.1829-0.0000 0.2637 ( 7628 PWs) bands (ev): 0.4615 0.4615 0.4630 0.4630 1.7369 1.7369 1.7372 1.7372 5.9190 5.9190 5.9320 5.9320 6.3912 6.3912 6.4109 6.4109 6.8190 6.8190 6.8251 6.8251 7.1810 7.1810 7.1998 7.1998 7.6008 7.6008 7.6190 7.6190 8.1645 8.1645 8.1911 8.1911 8.6097 8.6097 8.6357 8.6357 8.7401 8.7401 8.7451 8.7451 9.0729 9.0729 9.0841 9.0841 9.3722 9.3722 9.3762 9.3762 9.7139 9.7139 9.7236 9.7236 9.7383 9.7383 9.7828 9.7828 10.0789 10.0789 10.1112 10.1112 10.2311 10.2311 10.2513 10.2513 10.4783 10.4783 10.4849 10.4849 10.9174 10.9174 10.9321 10.9321 11.5091 11.5091 11.5091 11.5091 k = 0.1951-0.0000 0.2637 ( 7612 PWs) bands (ev): 0.4979 0.4979 0.4995 0.4995 1.7366 1.7366 1.7371 1.7371 5.9467 5.9467 5.9595 5.9595 6.3864 6.3864 6.4046 6.4046 6.8259 6.8259 6.8318 6.8318 7.1347 7.1347 7.1555 7.1555 7.6131 7.6131 7.6285 7.6285 8.1346 8.1346 8.1613 8.1613 8.6017 8.6017 8.6281 8.6281 8.7514 8.7514 8.7569 8.7569 9.0485 9.0485 9.0573 9.0573 9.3723 9.3723 9.3800 9.3800 9.7135 9.7135 9.7211 9.7211 9.7411 9.7411 9.7901 9.7901 10.0792 10.0792 10.1169 10.1169 10.2129 10.2129 10.2357 10.2357 10.4722 10.4722 10.4776 10.4776 10.8913 10.8913 10.9048 10.9048 11.5256 11.5256 11.5259 11.5259 k = 0.2073-0.0000 0.2637 ( 7600 PWs) bands (ev): 0.5362 0.5362 0.5378 0.5378 1.7362 1.7362 1.7367 1.7367 5.9700 5.9700 5.9818 5.9818 6.3828 6.3828 6.3983 6.3983 6.8275 6.8275 6.8342 6.8342 7.0981 7.0981 7.1185 7.1185 7.6280 7.6280 7.6413 7.6413 8.1028 8.1028 8.1294 8.1294 8.5955 8.5955 8.6222 8.6222 8.7631 8.7631 8.7690 8.7690 9.0261 9.0261 9.0328 9.0328 9.3726 9.3726 9.3840 9.3840 9.6987 9.6987 9.7111 9.7111 9.7580 9.7580 9.8043 9.8043 10.0758 10.0758 10.1181 10.1181 10.1961 10.1961 10.2206 10.2206 10.4668 10.4668 10.4710 10.4710 10.8650 10.8650 10.8771 10.8771 11.5401 11.5401 11.5408 11.5408 k = 0.2195-0.0000 0.2637 ( 7602 PWs) bands (ev): 0.5763 0.5763 0.5778 0.5778 1.7356 1.7356 1.7362 1.7362 5.9858 5.9858 5.9956 5.9956 6.3825 6.3825 6.3940 6.3940 6.8202 6.8202 6.8289 6.8289 7.0765 7.0765 7.0941 7.0941 7.6446 7.6446 7.6563 7.6563 8.0696 8.0696 8.0958 8.0958 8.5906 8.5906 8.6173 8.6173 8.7750 8.7750 8.7815 8.7815 9.0057 9.0057 9.0106 9.0106 9.3732 9.3732 9.3881 9.3881 9.6820 9.6820 9.6975 9.6975 9.7764 9.7764 9.8211 9.8211 10.0688 10.0688 10.1134 10.1134 10.1821 10.1821 10.2064 10.2064 10.4621 10.4621 10.4652 10.4652 10.8385 10.8385 10.8492 10.8492 11.5522 11.5522 11.5535 11.5535 k = 0.2317-0.0000 0.2637 ( 7602 PWs) bands (ev): 0.6179 0.6179 0.6195 0.6195 1.7347 1.7347 1.7355 1.7355 5.9907 5.9907 5.9974 5.9974 6.3885 6.3885 6.3942 6.3942 6.8037 6.8037 6.8149 6.8149 7.0721 7.0721 7.0853 7.0853 7.6625 7.6625 7.6729 7.6729 8.0356 8.0356 8.0613 8.0613 8.5866 8.5866 8.6133 8.6133 8.7871 8.7871 8.7943 8.7943 8.9874 8.9874 8.9908 8.9908 9.3740 9.3740 9.3923 9.3923 9.6648 9.6648 9.6823 9.6823 9.7946 9.7946 9.8383 9.8383 10.0586 10.0586 10.1025 10.1025 10.1717 10.1717 10.1930 10.1930 10.4577 10.4577 10.4598 10.4598 10.8120 10.8120 10.8212 10.8212 11.5619 11.5619 11.5640 11.5640 k = 0.2439-0.0000 0.2637 ( 7618 PWs) bands (ev): 0.6610 0.6610 0.6625 0.6625 1.7336 1.7336 1.7346 1.7346 5.9814 5.9814 5.9848 5.9848 6.4013 6.4013 6.4023 6.4023 6.7821 6.7821 6.7947 6.7947 7.0817 7.0817 7.0906 7.0906 7.6814 7.6814 7.6907 7.6907 8.0013 8.0013 8.0264 8.0264 8.5832 8.5832 8.6097 8.6097 8.7992 8.7992 8.8073 8.8073 8.9712 8.9712 8.9736 8.9736 9.3750 9.3750 9.3967 9.3967 9.6474 9.6474 9.6664 9.6664 9.8121 9.8121 9.8550 9.8550 10.0458 10.0458 10.0867 10.0867 10.1637 10.1637 10.1803 10.1803 10.4532 10.4532 10.4545 10.4545 10.7856 10.7856 10.7932 10.7932 11.5692 11.5692 11.5722 11.5722 k = 0.2561-0.0000 0.2637 ( 7620 PWs) bands (ev): 0.7055 0.7055 0.7069 0.7069 1.7322 1.7322 1.7333 1.7333 5.9567 5.9567 5.9573 5.9573 6.4161 6.4161 6.4240 6.4240 6.7607 6.7607 6.7732 6.7732 7.1008 7.1008 7.1061 7.1061 7.7010 7.7010 7.7092 7.7092 7.9670 7.9670 7.9913 7.9913 8.5800 8.5800 8.6062 8.6062 8.8112 8.8112 8.8202 8.8202 8.9575 8.9575 8.9592 8.9592 9.3761 9.3761 9.4010 9.4010 9.6300 9.6300 9.6500 9.6500 9.8287 9.8287 9.8704 9.8704 10.0311 10.0311 10.0681 10.0681 10.1564 10.1564 10.1681 10.1681 10.4483 10.4483 10.4491 10.4491 10.7595 10.7595 10.7654 10.7654 11.5742 11.5742 11.5781 11.5781 k = 0.2683-0.0000 0.2637 ( 7624 PWs) bands (ev): 0.7511 0.7511 0.7524 0.7524 1.7306 1.7306 1.7318 1.7318 5.9164 5.9164 5.9176 5.9176 6.4372 6.4372 6.4515 6.4515 6.7436 6.7436 6.7545 6.7545 7.1256 7.1256 7.1280 7.1280 7.7214 7.7214 7.7284 7.7284 7.9331 7.9331 7.9566 7.9566 8.5769 8.5769 8.6027 8.6027 8.8224 8.8224 8.8328 8.8328 8.9464 8.9464 8.9478 8.9478 9.3772 9.3772 9.4052 9.4052 9.6129 9.6129 9.6337 9.6337 9.8442 9.8442 9.8839 9.8839 10.0154 10.0154 10.0482 10.0482 10.1486 10.1486 10.1560 10.1560 10.4426 10.4426 10.4431 10.4431 10.7337 10.7337 10.7379 10.7379 11.5771 11.5771 11.5820 11.5820 k = 0.2805-0.0000 0.2637 ( 7622 PWs) bands (ev): 0.7977 0.7977 0.7990 0.7990 1.7285 1.7285 1.7300 1.7300 5.8648 5.8648 5.8667 5.8667 6.4618 6.4618 6.4818 6.4818 6.7336 6.7336 6.7419 6.7419 7.1537 7.1537 7.1539 7.1539 7.7423 7.7423 7.7480 7.7480 7.9002 7.9002 7.9226 7.9226 8.5736 8.5736 8.5991 8.5991 8.8321 8.8321 8.8440 8.8440 8.9388 8.9388 8.9402 8.9402 9.3780 9.3780 9.4089 9.4089 9.5965 9.5965 9.6178 9.6178 9.8583 9.8583 9.8949 9.8949 9.9998 9.9998 10.0277 10.0277 10.1401 10.1401 10.1441 10.1441 10.4356 10.4356 10.4362 10.4362 10.7084 10.7084 10.7108 10.7108 11.5782 11.5782 11.5841 11.5841 k = 0.2927-0.0000 0.2637 ( 7624 PWs) bands (ev): 0.8452 0.8452 0.8463 0.8463 1.7261 1.7261 1.7278 1.7278 5.8051 5.8051 5.8071 5.8071 6.4865 6.4865 6.5110 6.5110 6.7326 6.7326 6.7381 6.7381 7.1818 7.1818 7.1834 7.1834 7.7635 7.7635 7.7675 7.7675 7.8691 7.8691 7.8898 7.8898 8.5701 8.5701 8.5952 8.5952 8.8393 8.8393 8.8526 8.8526 8.9356 8.9356 8.9371 8.9371 9.3783 9.3783 9.4119 9.4119 9.5810 9.5810 9.6028 9.6028 9.8707 9.8707 9.9023 9.9023 9.9853 9.9853 10.0071 10.0071 10.1306 10.1306 10.1323 10.1323 10.4272 10.4272 10.4281 10.4281 10.6837 10.6837 10.6842 10.6842 11.5778 11.5778 11.5846 11.5846 k = 0.3049-0.0000 0.2637 ( 7628 PWs) bands (ev): 0.8932 0.8932 0.8942 0.8942 1.7233 1.7233 1.7252 1.7252 5.7397 5.7397 5.7413 5.7413 6.5082 6.5082 6.5356 6.5356 6.7419 6.7419 6.7454 6.7454 7.2105 7.2105 7.2136 7.2136 7.7842 7.7842 7.7842 7.7842 7.8425 7.8425 7.8595 7.8595 8.5664 8.5664 8.5910 8.5910 8.8431 8.8431 8.8572 8.8572 8.9380 8.9380 8.9391 8.9391 9.3778 9.3778 9.4138 9.4138 9.5670 9.5670 9.5892 9.5892 9.8813 9.8813 9.9047 9.9047 9.9732 9.9732 9.9869 9.9869 10.1203 10.1203 10.1209 10.1209 10.4173 10.4173 10.4186 10.4186 10.6581 10.6581 10.6595 10.6595 11.5764 11.5764 11.5840 11.5840 k = 0.3171-0.0000 0.2637 ( 7620 PWs) bands (ev): 0.9417 0.9417 0.9426 0.9426 1.7200 1.7200 1.7221 1.7221 5.6707 5.6707 5.6716 5.6716 6.5250 6.5250 6.5532 6.5532 6.7618 6.7618 6.7648 6.7648 7.2392 7.2392 7.2434 7.2434 7.7854 7.7854 7.7982 7.7982 7.8334 7.8334 7.8380 7.8380 8.5624 8.5624 8.5866 8.5866 8.8433 8.8433 8.8573 8.8573 8.9461 8.9461 8.9462 8.9462 9.3761 9.3761 9.4139 9.4139 9.5549 9.5549 9.5776 9.5776 9.8898 9.8898 9.9009 9.9009 9.9647 9.9647 9.9671 9.9671 10.1095 10.1095 10.1099 10.1099 10.4059 10.4059 10.4079 10.4079 10.6328 10.6328 10.6361 10.6361 11.5743 11.5743 11.5825 11.5825 k = 0.3293-0.0000 0.2637 ( 7610 PWs) bands (ev): 0.9904 0.9904 0.9910 0.9910 1.7162 1.7162 1.7185 1.7185 5.5997 5.5997 5.6000 5.6000 6.5369 6.5369 6.5639 6.5639 6.7907 6.7907 6.7949 6.7949 7.2671 7.2671 7.2722 7.2722 7.7652 7.7652 7.7855 7.7855 7.8455 7.8455 7.8481 7.8481 8.5583 8.5583 8.5821 8.5821 8.8406 8.8406 8.8538 8.8538 8.9574 8.9574 8.9586 8.9586 9.3730 9.3730 9.4120 9.4120 9.5452 9.5452 9.5687 9.5687 9.8916 9.8916 9.8958 9.8958 9.9481 9.9481 9.9592 9.9592 10.0983 10.0983 10.0995 10.0995 10.3931 10.3931 10.3958 10.3958 10.6083 10.6083 10.6134 10.6134 11.5719 11.5719 11.5805 11.5805 k = 0.3415-0.0000 0.2637 ( 7622 PWs) bands (ev): 1.0391 1.0391 1.0394 1.0394 1.7117 1.7117 1.7143 1.7143 5.5280 5.5280 5.5283 5.5283 6.5450 6.5450 6.5699 6.5699 6.8262 6.8262 6.8324 6.8324 7.2936 7.2936 7.2994 7.2994 7.7401 7.7401 7.7605 7.7605 7.8677 7.8677 7.8700 7.8700 8.5542 8.5542 8.5775 8.5775 8.8357 8.8357 8.8479 8.8479 8.9712 8.9712 8.9739 8.9739 9.3684 9.3684 9.4077 9.4077 9.5382 9.5382 9.5628 9.5628 9.8786 9.8786 9.8987 9.8987 9.9304 9.9304 9.9545 9.9545 10.0869 10.0869 10.0897 10.0897 10.3793 10.3793 10.3826 10.3826 10.5848 10.5848 10.5915 10.5915 11.5695 11.5695 11.5783 11.5783 k = 0.3537-0.0000 0.2637 ( 7622 PWs) bands (ev): 1.0874 1.0874 1.0875 1.0875 1.7067 1.7067 1.7094 1.7094 5.4567 5.4567 5.4575 5.4575 6.5509 6.5509 6.5733 6.5733 6.8658 6.8658 6.8740 6.8740 7.3182 7.3182 7.3247 7.3247 7.7153 7.7153 7.7350 7.7350 7.8930 7.8930 7.8941 7.8941 8.5503 8.5503 8.5733 8.5733 8.8292 8.8292 8.8403 8.8403 8.9868 8.9868 8.9909 8.9909 9.3623 9.3623 9.4011 9.4011 9.5342 9.5342 9.5603 9.5603 9.8639 9.8639 9.8966 9.8966 9.9158 9.9158 9.9490 9.9490 10.0755 10.0755 10.0806 10.0806 10.3647 10.3647 10.3686 10.3686 10.5625 10.5625 10.5707 10.5707 11.5675 11.5675 11.5762 11.5762 k = 0.3659-0.0000 0.2637 ( 7630 PWs) bands (ev): 1.1350 1.1350 1.1352 1.1352 1.7008 1.7008 1.7039 1.7039 5.3874 5.3874 5.3886 5.3886 6.5555 6.5555 6.5755 6.5755 6.9074 6.9074 6.9175 6.9175 7.3407 7.3407 7.3476 7.3476 7.6919 7.6919 7.7106 7.7106 7.9193 7.9193 7.9195 7.9195 8.5468 8.5468 8.5695 8.5695 8.8213 8.8213 8.8311 8.8311 9.0034 9.0034 9.0086 9.0086 9.3549 9.3549 9.3924 9.3924 9.5330 9.5330 9.5608 9.5608 9.8484 9.8484 9.8865 9.8865 9.9077 9.9077 9.9421 9.9421 10.0643 10.0643 10.0717 10.0717 10.3498 10.3498 10.3541 10.3541 10.5416 10.5416 10.5509 10.5509 11.5658 11.5658 11.5744 11.5744 k = 0.3780-0.0000 0.2637 ( 7620 PWs) bands (ev): 1.1816 1.1816 1.1821 1.1821 1.6942 1.6942 1.6974 1.6974 5.3208 5.3208 5.3224 5.3224 6.5595 6.5595 6.5772 6.5772 6.9495 6.9495 6.9611 6.9611 7.3609 7.3609 7.3681 7.3681 7.6702 7.6702 7.6879 7.6879 7.9450 7.9450 7.9465 7.9465 8.5441 8.5441 8.5665 8.5665 8.8122 8.8122 8.8205 8.8205 9.0204 9.0204 9.0266 9.0266 9.3469 9.3469 9.3825 9.3825 9.5344 9.5344 9.5641 9.5641 9.8328 9.8328 9.8717 9.8717 9.9026 9.9026 9.9338 9.9338 10.0533 10.0533 10.0628 10.0628 10.3349 10.3349 10.3395 10.3395 10.5223 10.5223 10.5324 10.5324 11.5647 11.5647 11.5730 11.5730 k = 0.3902-0.0000 0.2637 ( 7616 PWs) bands (ev): 1.2270 1.2270 1.2278 1.2278 1.6866 1.6866 1.6900 1.6900 5.2579 5.2579 5.2597 5.2597 6.5633 6.5633 6.5789 6.5789 6.9908 6.9908 7.0036 7.0036 7.3788 7.3788 7.3862 7.3862 7.6504 7.6504 7.6670 7.6670 7.9708 7.9708 7.9734 7.9734 8.5425 8.5425 8.5645 8.5645 8.8016 8.8016 8.8083 8.8083 9.0374 9.0374 9.0443 9.0443 9.3387 9.3387 9.3719 9.3719 9.5383 9.5383 9.5696 9.5696 9.8173 9.8173 9.8562 9.8562 9.8971 9.8971 9.9245 9.9245 10.0426 10.0426 10.0535 10.0535 10.3204 10.3204 10.3251 10.3251 10.5050 10.5050 10.5155 10.5155 11.5643 11.5643 11.5720 11.5720 k = 0.4024-0.0000 0.2637 ( 7616 PWs) bands (ev): 1.2711 1.2711 1.2722 1.2722 1.6779 1.6779 1.6815 1.6815 5.1995 5.1995 5.2013 5.2013 6.5669 6.5669 6.5805 6.5805 7.0303 7.0303 7.0439 7.0439 7.3945 7.3945 7.4020 7.4020 7.6326 7.6326 7.6479 7.6479 7.9961 7.9961 7.9997 7.9997 8.5423 8.5423 8.5641 8.5641 8.7894 8.7894 8.7943 8.7943 9.0540 9.0540 9.0614 9.0614 9.3307 9.3307 9.3611 9.3611 9.5442 9.5442 9.5768 9.5768 9.8020 9.8020 9.8407 9.8407 9.8906 9.8906 9.9146 9.9146 10.0321 10.0321 10.0436 10.0436 10.3065 10.3065 10.3111 10.3111 10.4897 10.4897 10.5001 10.5001 11.5644 11.5644 11.5715 11.5715 k = 0.4146-0.0000 0.2637 ( 7616 PWs) bands (ev): 1.3134 1.3134 1.3149 1.3149 1.6680 1.6680 1.6718 1.6718 5.1461 5.1461 5.1479 5.1479 6.5704 6.5704 6.5822 6.5822 7.0673 7.0673 7.0810 7.0810 7.4083 7.4083 7.4158 7.4158 7.6168 7.6168 7.6307 7.6307 8.0202 8.0202 8.0246 8.0246 8.5441 8.5441 8.5654 8.5654 8.7758 8.7758 8.7787 8.7787 9.0698 9.0698 9.0773 9.0773 9.3235 9.3235 9.3508 9.3508 9.5520 9.5520 9.5855 9.5855 9.7870 9.7870 9.8255 9.8255 9.8836 9.8836 9.9046 9.9046 10.0219 10.0219 10.0332 10.0332 10.2936 10.2936 10.2980 10.2980 10.4766 10.4766 10.4866 10.4866 11.5649 11.5649 11.5713 11.5713 k = 0.4268-0.0000 0.2637 ( 7628 PWs) bands (ev): 1.3537 1.3537 1.3556 1.3556 1.6568 1.6568 1.6607 1.6607 5.0985 5.0985 5.1002 5.1002 6.5738 6.5738 6.5838 6.5838 7.1008 7.1008 7.1143 7.1143 7.4206 7.4206 7.4278 7.4278 7.6027 7.6027 7.6152 7.6152 8.0427 8.0427 8.0476 8.0476 8.5483 8.5483 8.5689 8.5689 8.7605 8.7605 8.7614 8.7614 9.0844 9.0844 9.0918 9.0918 9.3173 9.3173 9.3413 9.3413 9.5613 9.5613 9.5953 9.5953 9.7724 9.7724 9.8103 9.8103 9.8765 9.8765 9.8949 9.8949 10.0121 10.0121 10.0225 10.0225 10.2820 10.2820 10.2860 10.2860 10.4657 10.4657 10.4749 10.4749 11.5659 11.5659 11.5715 11.5715 k = 0.4390-0.0000 0.2637 ( 7638 PWs) bands (ev): 1.3919 1.3919 1.3942 1.3942 1.6440 1.6440 1.6480 1.6480 5.0571 5.0571 5.0587 5.0587 6.5770 6.5770 6.5852 6.5852 7.1303 7.1303 7.1429 7.1429 7.4319 7.4319 7.4384 7.4384 7.5904 7.5904 7.6013 7.6013 8.0629 8.0629 8.0678 8.0678 8.5551 8.5551 8.5749 8.5749 8.7426 8.7426 8.7438 8.7438 9.0975 9.0975 9.1044 9.1044 9.3123 9.3123 9.3327 9.3327 9.5721 9.5721 9.6056 9.6056 9.7583 9.7583 9.7952 9.7952 9.8702 9.8702 9.8860 9.8860 10.0029 10.0029 10.0119 10.0119 10.2718 10.2718 10.2753 10.2753 10.4570 10.4570 10.4650 10.4650 11.5671 11.5671 11.5718 11.5718 k = 0.4512-0.0000 0.2637 ( 7642 PWs) bands (ev): 1.4277 1.4277 1.4303 1.4303 1.6296 1.6296 1.6337 1.6337 5.0226 5.0226 5.0239 5.0239 6.5799 6.5799 6.5865 6.5865 7.1552 7.1552 7.1662 7.1662 7.4423 7.4423 7.4479 7.4479 7.5798 7.5798 7.5889 7.5889 8.0802 8.0802 8.0848 8.0848 8.5647 8.5647 8.5834 8.5834 8.7225 8.7225 8.7259 8.7259 9.1088 9.1088 9.1148 9.1148 9.3087 9.3087 9.3253 9.3253 9.5839 9.5839 9.6160 9.6160 9.7454 9.7454 9.7802 9.7802 9.8649 9.8649 9.8780 9.8780 9.9946 9.9946 10.0019 10.0019 10.2633 10.2633 10.2662 10.2662 10.4503 10.4503 10.4570 10.4570 11.5684 11.5684 11.5722 11.5722 k = 0.4634-0.0000 0.2637 ( 7642 PWs) bands (ev): 1.4608 1.4608 1.4637 1.4637 1.6135 1.6135 1.6175 1.6175 4.9953 4.9953 4.9964 4.9964 6.5825 6.5825 6.5874 6.5874 7.1752 7.1752 7.1841 7.1841 7.4518 7.4518 7.4562 7.4562 7.5709 7.5709 7.5781 7.5781 8.0943 8.0943 8.0982 8.0982 8.5773 8.5773 8.5945 8.5945 8.7018 8.7018 8.7071 8.7071 9.1180 9.1180 9.1228 9.1228 9.3066 9.3066 9.3191 9.3191 9.5963 9.5963 9.6253 9.6253 9.7343 9.7343 9.7654 9.7654 9.8611 9.8611 9.8714 9.8714 9.9876 9.9876 9.9931 9.9931 10.2566 10.2566 10.2588 10.2588 10.4456 10.4456 10.4506 10.4506 11.5697 11.5697 11.5726 11.5726 k = 0.4756-0.0000 0.2637 ( 7638 PWs) bands (ev): 1.4910 1.4910 1.4940 1.4940 1.5959 1.5959 1.5997 1.5997 4.9756 4.9756 4.9763 4.9763 6.5846 6.5846 6.5879 6.5879 7.1900 7.1900 7.1962 7.1962 7.4600 7.4600 7.4629 7.4629 7.5640 7.5640 7.5690 7.5690 8.1048 8.1048 8.1076 8.1076 8.5922 8.5922 8.6074 8.6074 8.6811 8.6811 8.6882 8.6882 9.1250 9.1250 9.1284 9.1284 9.3057 9.3057 9.3142 9.3142 9.6087 9.6087 9.6318 9.6318 9.7267 9.7267 9.7512 9.7512 9.8589 9.8589 9.8660 9.8660 9.9824 9.9824 9.9860 9.9860 10.2518 10.2518 10.2533 10.2533 10.4425 10.4425 10.4460 10.4460 11.5708 11.5708 11.5728 11.5728 k = 0.4878-0.0000 0.2637 ( 7638 PWs) bands (ev): 1.5170 1.5170 1.5199 1.5199 1.5777 1.5777 1.5810 1.5810 4.9638 4.9638 4.9641 4.9641 6.5862 6.5862 6.5879 6.5879 7.1995 7.1995 7.2028 7.2028 7.4659 7.4659 7.4674 7.4674 7.5599 7.5599 7.5625 7.5625 8.1114 8.1114 8.1129 8.1129 8.6086 8.6086 8.6199 8.6199 8.6630 8.6630 8.6703 8.6703 9.1296 9.1296 9.1313 9.1313 9.3061 9.3061 9.3104 9.3104 9.6201 9.6201 9.6334 9.6334 9.7247 9.7247 9.7386 9.7386 9.8584 9.8584 9.8620 9.8620 9.9795 9.9795 9.9813 9.9813 10.2491 10.2491 10.2498 10.2498 10.4411 10.4411 10.4428 10.4428 11.5718 11.5718 11.5727 11.5728 k = 0.5000-0.0000 0.2637 ( 7632 PWs) bands (ev): 1.5324 1.5324 1.5324 1.5324 1.5680 1.5680 1.5680 1.5680 4.9599 4.9599 4.9599 4.9599 6.5873 6.5873 6.5873 6.5873 7.2038 7.2038 7.2038 7.2038 7.4685 7.4685 7.4685 7.4685 7.5593 7.5593 7.5593 7.5593 8.1142 8.1142 8.1142 8.1142 8.6220 8.6220 8.6220 8.6220 8.6577 8.6577 8.6577 8.6577 9.1317 9.1317 9.1317 9.1317 9.3077 9.3077 9.3077 9.3077 9.6290 9.6290 9.6290 9.6290 9.7291 9.7291 9.7291 9.7291 9.8595 9.8595 9.8595 9.8595 9.9791 9.9791 9.9791 9.9791 10.2484 10.2484 10.2484 10.2484 10.4412 10.4412 10.4412 10.4412 11.5724 11.5724 11.5724 11.5724 k = 0.5000-0.0000 0.2637 ( 7632 PWs) bands (ev): 1.5324 1.5324 1.5324 1.5324 1.5680 1.5680 1.5680 1.5680 4.9599 4.9599 4.9599 4.9599 6.5873 6.5873 6.5873 6.5873 7.2038 7.2038 7.2038 7.2038 7.4685 7.4685 7.4685 7.4685 7.5593 7.5593 7.5593 7.5593 8.1142 8.1142 8.1142 8.1142 8.6220 8.6220 8.6220 8.6220 8.6577 8.6577 8.6577 8.6577 9.1317 9.1317 9.1317 9.1317 9.3077 9.3077 9.3077 9.3077 9.6290 9.6290 9.6290 9.6290 9.7291 9.7291 9.7291 9.7291 9.8595 9.8595 9.8595 9.8595 9.9791 9.9791 9.9791 9.9791 10.2484 10.2484 10.2484 10.2484 10.4412 10.4412 10.4412 10.4412 11.5724 11.5724 11.5724 11.5724 k = 0.5000 0.0120 0.2637 ( 7640 PWs) bands (ev): 1.5325 1.5325 1.5325 1.5325 1.5680 1.5680 1.5680 1.5680 4.9607 4.9607 4.9607 4.9607 6.5834 6.5834 6.5834 6.5834 7.2044 7.2044 7.2044 7.2044 7.4692 7.4692 7.4692 7.4692 7.5605 7.5605 7.5605 7.5605 8.1136 8.1136 8.1136 8.1136 8.6232 8.6232 8.6232 8.6232 8.6581 8.6581 8.6581 8.6581 9.1317 9.1317 9.1317 9.1317 9.3074 9.3074 9.3074 9.3074 9.6286 9.6286 9.6286 9.6286 9.7292 9.7292 9.7292 9.7292 9.8583 9.8583 9.8583 9.8583 9.9788 9.9788 9.9788 9.9788 10.2504 10.2504 10.2504 10.2504 10.4419 10.4419 10.4419 10.4419 11.5717 11.5717 11.5717 11.5717 k = 0.5000 0.0239 0.2637 ( 7644 PWs) bands (ev): 1.5327 1.5327 1.5327 1.5327 1.5681 1.5681 1.5681 1.5681 4.9632 4.9632 4.9632 4.9632 6.5719 6.5719 6.5719 6.5719 7.2063 7.2063 7.2063 7.2063 7.4713 7.4713 7.4713 7.4713 7.5641 7.5641 7.5641 7.5641 8.1119 8.1119 8.1119 8.1119 8.6270 8.6270 8.6270 8.6270 8.6592 8.6592 8.6592 8.6592 9.1315 9.1315 9.1315 9.1315 9.3067 9.3067 9.3067 9.3067 9.6275 9.6275 9.6275 9.6275 9.7294 9.7294 9.7294 9.7294 9.8551 9.8551 9.8551 9.8551 9.9778 9.9778 9.9778 9.9778 10.2563 10.2563 10.2563 10.2563 10.4438 10.4438 10.4438 10.4438 11.5695 11.5695 11.5695 11.5695 k = 0.5000 0.0359 0.2637 ( 7652 PWs) bands (ev): 1.5331 1.5331 1.5331 1.5331 1.5682 1.5682 1.5682 1.5682 4.9673 4.9673 4.9673 4.9673 6.5532 6.5532 6.5532 6.5532 7.2093 7.2093 7.2093 7.2093 7.4748 7.4748 7.4748 7.4748 7.5696 7.5696 7.5696 7.5696 8.1090 8.1090 8.1090 8.1090 8.6331 8.6331 8.6331 8.6331 8.6613 8.6613 8.6613 8.6613 9.1311 9.1311 9.1311 9.1311 9.3054 9.3054 9.3054 9.3054 9.6255 9.6255 9.6255 9.6255 9.7295 9.7295 9.7295 9.7295 9.8503 9.8503 9.8503 9.8503 9.9763 9.9763 9.9763 9.9763 10.2657 10.2657 10.2657 10.2657 10.4469 10.4469 10.4469 10.4469 11.5659 11.5659 11.5659 11.5659 k = 0.5000 0.0479 0.2637 ( 7644 PWs) bands (ev): 1.5337 1.5337 1.5337 1.5337 1.5684 1.5684 1.5684 1.5684 4.9731 4.9731 4.9731 4.9731 6.5279 6.5279 6.5279 6.5279 7.2136 7.2136 7.2136 7.2136 7.4797 7.4797 7.4797 7.4797 7.5764 7.5764 7.5764 7.5764 8.1051 8.1051 8.1051 8.1051 8.6414 8.6414 8.6414 8.6414 8.6644 8.6644 8.6644 8.6644 9.1307 9.1307 9.1307 9.1307 9.3036 9.3036 9.3036 9.3036 9.6228 9.6228 9.6228 9.6228 9.7294 9.7294 9.7294 9.7294 9.8445 9.8445 9.8445 9.8445 9.9743 9.9743 9.9743 9.9743 10.2784 10.2784 10.2784 10.2784 10.4513 10.4513 10.4513 10.4513 11.5609 11.5609 11.5609 11.5609 k = 0.5000 0.0598 0.2637 ( 7640 PWs) bands (ev): 1.5344 1.5344 1.5344 1.5344 1.5687 1.5687 1.5687 1.5687 4.9805 4.9805 4.9805 4.9805 6.4967 6.4967 6.4967 6.4967 7.2190 7.2190 7.2190 7.2190 7.4859 7.4859 7.4859 7.4859 7.5840 7.5840 7.5840 7.5840 8.1000 8.1000 8.1000 8.1000 8.6513 8.6513 8.6513 8.6513 8.6690 8.6690 8.6690 8.6690 9.1302 9.1302 9.1302 9.1302 9.3011 9.3011 9.3011 9.3011 9.6193 9.6193 9.6193 9.6193 9.7285 9.7285 9.7285 9.7285 9.8386 9.8386 9.8386 9.8386 9.9717 9.9717 9.9717 9.9717 10.2939 10.2939 10.2939 10.2939 10.4569 10.4569 10.4569 10.4569 11.5547 11.5547 11.5547 11.5547 k = 0.5000 0.0718 0.2637 ( 7636 PWs) bands (ev): 1.5353 1.5353 1.5353 1.5353 1.5690 1.5690 1.5690 1.5690 4.9896 4.9896 4.9896 4.9896 6.4605 6.4605 6.4605 6.4605 7.2255 7.2255 7.2255 7.2255 7.4934 7.4934 7.4934 7.4934 7.5915 7.5915 7.5915 7.5915 8.0938 8.0938 8.0938 8.0938 8.6616 8.6616 8.6616 8.6616 8.6765 8.6765 8.6765 8.6765 9.1296 9.1296 9.1296 9.1296 9.2979 9.2979 9.2979 9.2979 9.6151 9.6151 9.6151 9.6151 9.7262 9.7262 9.7262 9.7262 9.8336 9.8336 9.8336 9.8336 9.9686 9.9686 9.9686 9.9686 10.3118 10.3118 10.3118 10.3118 10.4636 10.4636 10.4636 10.4636 11.5474 11.5474 11.5474 11.5474 k = 0.5000 0.0838 0.2637 ( 7620 PWs) bands (ev): 1.5363 1.5363 1.5363 1.5363 1.5693 1.5693 1.5693 1.5693 5.0005 5.0005 5.0005 5.0005 6.4201 6.4201 6.4201 6.4201 7.2332 7.2332 7.2332 7.2332 7.5020 7.5020 7.5020 7.5020 7.5985 7.5985 7.5985 7.5985 8.0865 8.0865 8.0865 8.0865 8.6705 8.6705 8.6705 8.6705 8.6886 8.6886 8.6886 8.6886 9.1290 9.1290 9.1290 9.1290 9.2939 9.2939 9.2939 9.2939 9.6103 9.6103 9.6103 9.6103 9.7220 9.7220 9.7220 9.7220 9.8304 9.8304 9.8304 9.8304 9.9651 9.9651 9.9651 9.9651 10.3316 10.3316 10.3316 10.3316 10.4713 10.4713 10.4713 10.4713 11.5390 11.5390 11.5390 11.5390 k = 0.5000 0.0957 0.2637 ( 7620 PWs) bands (ev): 1.5374 1.5374 1.5374 1.5374 1.5696 1.5696 1.5696 1.5696 5.0131 5.0131 5.0131 5.0131 6.3761 6.3761 6.3761 6.3761 7.2418 7.2418 7.2418 7.2418 7.5117 7.5117 7.5117 7.5117 7.6044 7.6044 7.6044 7.6044 8.0782 8.0782 8.0782 8.0782 8.6783 8.6783 8.6783 8.6783 8.7045 8.7045 8.7045 8.7045 9.1283 9.1283 9.1283 9.1283 9.2890 9.2890 9.2890 9.2890 9.6052 9.6052 9.6052 9.6052 9.7155 9.7155 9.7155 9.7155 9.8296 9.8296 9.8296 9.8296 9.9613 9.9613 9.9613 9.9613 10.3531 10.3531 10.3531 10.3531 10.4800 10.4800 10.4800 10.4800 11.5297 11.5297 11.5297 11.5297 k = 0.5000 0.1077 0.2637 ( 7616 PWs) bands (ev): 1.5387 1.5387 1.5387 1.5387 1.5699 1.5699 1.5699 1.5699 5.0275 5.0275 5.0275 5.0275 6.3292 6.3292 6.3292 6.3292 7.2515 7.2515 7.2515 7.2515 7.5224 7.5224 7.5224 7.5224 7.6089 7.6089 7.6089 7.6089 8.0687 8.0687 8.0687 8.0687 8.6865 8.6865 8.6865 8.6865 8.7229 8.7229 8.7229 8.7229 9.1275 9.1275 9.1275 9.1275 9.2831 9.2831 9.2831 9.2831 9.5998 9.5998 9.5998 9.5998 9.7067 9.7067 9.7067 9.7067 9.8314 9.8314 9.8314 9.8314 9.9573 9.9573 9.9573 9.9573 10.3757 10.3757 10.3757 10.3757 10.4896 10.4896 10.4896 10.4896 11.5198 11.5198 11.5198 11.5198 k = 0.5000 0.1197 0.2637 ( 7608 PWs) bands (ev): 1.5400 1.5400 1.5400 1.5400 1.5702 1.5702 1.5702 1.5702 5.0436 5.0436 5.0436 5.0436 6.2800 6.2800 6.2800 6.2800 7.2621 7.2621 7.2621 7.2621 7.5340 7.5340 7.5340 7.5340 7.6118 7.6118 7.6118 7.6118 8.0582 8.0582 8.0582 8.0582 8.6955 8.6955 8.6955 8.6955 8.7429 8.7429 8.7429 8.7429 9.1267 9.1267 9.1267 9.1267 9.2761 9.2761 9.2761 9.2761 9.5943 9.5943 9.5943 9.5943 9.6960 9.6960 9.6960 9.6960 9.8353 9.8353 9.8353 9.8353 9.9531 9.9531 9.9531 9.9531 10.3993 10.3993 10.3993 10.3993 10.5001 10.5001 10.5001 10.5001 11.5094 11.5094 11.5094 11.5094 k = 0.5000 0.1316 0.2637 ( 7604 PWs) bands (ev): 1.5415 1.5415 1.5415 1.5415 1.5705 1.5705 1.5705 1.5705 5.0617 5.0617 5.0617 5.0617 6.2291 6.2291 6.2291 6.2291 7.2735 7.2735 7.2735 7.2735 7.5462 7.5462 7.5462 7.5462 7.6131 7.6131 7.6131 7.6131 8.0467 8.0467 8.0467 8.0467 8.7056 8.7056 8.7056 8.7056 8.7639 8.7639 8.7639 8.7639 9.1259 9.1259 9.1259 9.1259 9.2680 9.2680 9.2680 9.2680 9.5890 9.5890 9.5890 9.5890 9.6841 9.6841 9.6841 9.6841 9.8409 9.8409 9.8409 9.8409 9.9489 9.9489 9.9489 9.9489 10.4234 10.4234 10.4234 10.4234 10.5112 10.5112 10.5112 10.5112 11.4987 11.4987 11.4987 11.4988 k = 0.5000 0.1436 0.2637 ( 7604 PWs) bands (ev): 1.5430 1.5430 1.5430 1.5430 1.5708 1.5708 1.5708 1.5708 5.0815 5.0815 5.0815 5.0815 6.1769 6.1769 6.1769 6.1769 7.2857 7.2857 7.2857 7.2857 7.5587 7.5587 7.5587 7.5587 7.6131 7.6131 7.6131 7.6131 8.0341 8.0341 8.0341 8.0341 8.7169 8.7169 8.7169 8.7169 8.7855 8.7855 8.7855 8.7855 9.1249 9.1249 9.1249 9.1249 9.2586 9.2586 9.2586 9.2586 9.5838 9.5838 9.5838 9.5838 9.6714 9.6714 9.6714 9.6714 9.8476 9.8476 9.8476 9.8476 9.9449 9.9449 9.9449 9.9449 10.4478 10.4478 10.4478 10.4478 10.5231 10.5231 10.5231 10.5231 11.4881 11.4881 11.4881 11.4881 k = 0.5000 0.1556 0.2637 ( 7604 PWs) bands (ev): 1.5447 1.5447 1.5447 1.5447 1.5709 1.5709 1.5709 1.5709 5.1033 5.1033 5.1033 5.1033 6.1238 6.1238 6.1238 6.1238 7.2986 7.2986 7.2986 7.2986 7.5708 7.5708 7.5708 7.5708 7.6123 7.6123 7.6123 7.6123 8.0205 8.0205 8.0205 8.0205 8.7293 8.7293 8.7293 8.7293 8.8073 8.8073 8.8073 8.8073 9.1239 9.1239 9.1239 9.1239 9.2481 9.2481 9.2481 9.2481 9.5790 9.5790 9.5790 9.5790 9.6583 9.6583 9.6583 9.6583 9.8551 9.8551 9.8551 9.8551 9.9411 9.9411 9.9411 9.9411 10.4721 10.4721 10.4721 10.4721 10.5355 10.5355 10.5355 10.5355 11.4778 11.4778 11.4778 11.4778 k = 0.5000 0.1675 0.2637 ( 7604 PWs) bands (ev): 1.5463 1.5463 1.5463 1.5463 1.5710 1.5710 1.5710 1.5710 5.1269 5.1269 5.1269 5.1269 6.0702 6.0702 6.0702 6.0702 7.3121 7.3121 7.3121 7.3121 7.5805 7.5805 7.5805 7.5805 7.6131 7.6131 7.6131 7.6131 8.0060 8.0060 8.0060 8.0060 8.7430 8.7430 8.7430 8.7430 8.8287 8.8287 8.8287 8.8287 9.1228 9.1228 9.1228 9.1228 9.2366 9.2366 9.2366 9.2366 9.5745 9.5745 9.5745 9.5745 9.6453 9.6453 9.6453 9.6453 9.8629 9.8629 9.8629 9.8629 9.9376 9.9376 9.9376 9.9376 10.4960 10.4960 10.4960 10.4960 10.5484 10.5484 10.5484 10.5484 11.4682 11.4682 11.4682 11.4682 k = 0.5000 0.1795 0.2637 ( 7604 PWs) bands (ev): 1.5480 1.5480 1.5480 1.5480 1.5711 1.5711 1.5711 1.5711 5.1524 5.1524 5.1524 5.1524 6.0163 6.0163 6.0163 6.0163 7.3261 7.3261 7.3261 7.3261 7.5838 7.5838 7.5838 7.5838 7.6193 7.6193 7.6193 7.6193 7.9905 7.9905 7.9905 7.9905 8.7579 8.7579 8.7579 8.7579 8.8495 8.8495 8.8495 8.8495 9.1216 9.1216 9.1216 9.1216 9.2240 9.2240 9.2240 9.2240 9.5703 9.5703 9.5703 9.5703 9.6325 9.6325 9.6325 9.6325 9.8708 9.8708 9.8708 9.8708 9.9346 9.9346 9.9346 9.9346 10.5190 10.5190 10.5190 10.5190 10.5619 10.5619 10.5619 10.5619 11.4596 11.4596 11.4596 11.4596 k = 0.5000 0.1915 0.2637 ( 7612 PWs) bands (ev): 1.5497 1.5497 1.5497 1.5497 1.5710 1.5710 1.5710 1.5710 5.1799 5.1799 5.1799 5.1799 5.9624 5.9624 5.9624 5.9624 7.3404 7.3404 7.3404 7.3404 7.5804 7.5804 7.5804 7.5804 7.6315 7.6315 7.6315 7.6315 7.9741 7.9741 7.9741 7.9741 8.7737 8.7737 8.7737 8.7737 8.8692 8.8692 8.8692 8.8692 9.1202 9.1202 9.1202 9.1202 9.2108 9.2108 9.2108 9.2108 9.5665 9.5665 9.5665 9.5665 9.6203 9.6203 9.6203 9.6203 9.8785 9.8785 9.8785 9.8785 9.9321 9.9321 9.9321 9.9321 10.5407 10.5407 10.5407 10.5407 10.5757 10.5757 10.5757 10.5757 11.4524 11.4524 11.4524 11.4524 k = 0.5000 0.2034 0.2637 ( 7604 PWs) bands (ev): 1.5515 1.5515 1.5515 1.5515 1.5708 1.5708 1.5708 1.5708 5.2093 5.2093 5.2093 5.2093 5.9088 5.9088 5.9088 5.9088 7.3551 7.3551 7.3551 7.3551 7.5734 7.5734 7.5734 7.5734 7.6467 7.6467 7.6467 7.6467 7.9569 7.9569 7.9569 7.9569 8.7906 8.7906 8.7906 8.7906 8.8874 8.8874 8.8874 8.8874 9.1185 9.1185 9.1185 9.1185 9.1970 9.1970 9.1970 9.1970 9.5631 9.5631 9.5631 9.5631 9.6088 9.6088 9.6088 9.6088 9.8858 9.8858 9.8858 9.8858 9.9301 9.9301 9.9301 9.9301 10.5605 10.5605 10.5605 10.5605 10.5899 10.5899 10.5899 10.5899 11.4470 11.4470 11.4470 11.4470 k = 0.5000 0.2154 0.2637 ( 7608 PWs) bands (ev): 1.5532 1.5532 1.5532 1.5532 1.5706 1.5706 1.5706 1.5706 5.2406 5.2406 5.2406 5.2406 5.8557 5.8557 5.8557 5.8557 7.3700 7.3700 7.3700 7.3700 7.5643 7.5643 7.5643 7.5643 7.6634 7.6634 7.6634 7.6634 7.9390 7.9390 7.9390 7.9390 8.8081 8.8081 8.8081 8.8081 8.9037 8.9037 8.9037 8.9037 9.1166 9.1166 9.1166 9.1166 9.1831 9.1831 9.1831 9.1831 9.5599 9.5599 9.5599 9.5599 9.5982 9.5982 9.5982 9.5982 9.8926 9.8926 9.8926 9.8926 9.9286 9.9286 9.9286 9.9286 10.5783 10.5783 10.5783 10.5783 10.6040 10.6040 10.6040 10.6040 11.4438 11.4438 11.4438 11.4438 k = 0.5000 0.2274 0.2637 ( 7620 PWs) bands (ev): 1.5549 1.5549 1.5549 1.5549 1.5702 1.5702 1.5702 1.5702 5.2737 5.2737 5.2737 5.2737 5.8033 5.8033 5.8033 5.8033 7.3849 7.3849 7.3849 7.3849 7.5539 7.5539 7.5539 7.5539 7.6811 7.6811 7.6811 7.6811 7.9204 7.9204 7.9204 7.9204 8.8262 8.8262 8.8262 8.8262 8.9176 8.9176 8.9176 8.9176 9.1144 9.1144 9.1144 9.1144 9.1695 9.1695 9.1695 9.1695 9.5572 9.5572 9.5572 9.5572 9.5885 9.5885 9.5885 9.5885 9.8988 9.8988 9.8988 9.8988 9.9275 9.9275 9.9275 9.9275 10.5939 10.5939 10.5939 10.5939 10.6177 10.6177 10.6177 10.6177 11.4432 11.4432 11.4432 11.4432 k = 0.5000 0.2394 0.2637 ( 7620 PWs) bands (ev): 1.5565 1.5565 1.5565 1.5565 1.5697 1.5697 1.5697 1.5697 5.3088 5.3088 5.3088 5.3088 5.7517 5.7517 5.7517 5.7517 7.4000 7.4000 7.4000 7.4000 7.5425 7.5425 7.5425 7.5425 7.6995 7.6995 7.6995 7.6995 7.9013 7.9013 7.9013 7.9013 8.8445 8.8445 8.8445 8.8445 8.9286 8.9286 8.9286 8.9286 9.1119 9.1119 9.1119 9.1119 9.1568 9.1568 9.1568 9.1568 9.5549 9.5549 9.5549 9.5549 9.5799 9.5799 9.5799 9.5799 9.9044 9.9044 9.9044 9.9044 9.9268 9.9268 9.9268 9.9268 10.6075 10.6075 10.6075 10.6075 10.6301 10.6301 10.6301 10.6301 11.4455 11.4455 11.4455 11.4455 k = 0.5000 0.2513 0.2637 ( 7612 PWs) bands (ev): 1.5580 1.5580 1.5580 1.5580 1.5691 1.5691 1.5691 1.5691 5.3457 5.3457 5.3457 5.3457 5.7011 5.7011 5.7011 5.7011 7.4149 7.4149 7.4149 7.4149 7.5304 7.5304 7.5304 7.5304 7.7184 7.7184 7.7184 7.7184 7.8817 7.8817 7.8817 7.8817 8.8627 8.8627 8.8627 8.8627 8.9363 8.9363 8.9363 8.9363 9.1093 9.1093 9.1093 9.1093 9.1456 9.1456 9.1456 9.1456 9.5531 9.5531 9.5531 9.5531 9.5725 9.5725 9.5725 9.5725 9.9091 9.9091 9.9091 9.9091 9.9262 9.9262 9.9262 9.9262 10.6191 10.6191 10.6191 10.6191 10.6406 10.6406 10.6406 10.6406 11.4511 11.4511 11.4511 11.4511 k = 0.5000 0.2633 0.2637 ( 7612 PWs) bands (ev): 1.5594 1.5594 1.5594 1.5594 1.5684 1.5684 1.5684 1.5684 5.3844 5.3844 5.3844 5.3844 5.6517 5.6517 5.6517 5.6517 7.4297 7.4297 7.4297 7.4297 7.5177 7.5177 7.5177 7.5177 7.7376 7.7376 7.7376 7.7376 7.8619 7.8619 7.8619 7.8619 8.8804 8.8804 8.8804 8.8804 8.9399 8.9399 8.9399 8.9399 9.1066 9.1066 9.1066 9.1066 9.1364 9.1364 9.1364 9.1364 9.5520 9.5520 9.5520 9.5520 9.5662 9.5662 9.5662 9.5662 9.9131 9.9131 9.9131 9.9131 9.9258 9.9258 9.9258 9.9258 10.6287 10.6287 10.6287 10.6287 10.6488 10.6488 10.6488 10.6488 11.4600 11.4600 11.4600 11.4600 k = 0.5000 0.2753 0.2637 ( 7616 PWs) bands (ev): 1.5606 1.5606 1.5606 1.5606 1.5678 1.5678 1.5678 1.5678 5.4248 5.4248 5.4248 5.4248 5.6036 5.6036 5.6036 5.6036 7.4441 7.4441 7.4441 7.4441 7.5048 7.5048 7.5048 7.5048 7.7570 7.7570 7.7570 7.7570 7.8421 7.8421 7.8421 7.8421 8.8970 8.8970 8.8970 8.8970 8.9391 8.9391 8.9391 8.9391 9.1043 9.1043 9.1043 9.1043 9.1297 9.1297 9.1297 9.1297 9.5516 9.5516 9.5516 9.5516 9.5612 9.5612 9.5612 9.5612 9.9162 9.9162 9.9162 9.9162 9.9253 9.9253 9.9253 9.9253 10.6360 10.6360 10.6360 10.6360 10.6545 10.6545 10.6545 10.6545 11.4723 11.4723 11.4723 11.4723 k = 0.5000 0.2872 0.2637 ( 7612 PWs) bands (ev): 1.5615 1.5615 1.5615 1.5615 1.5672 1.5672 1.5672 1.5672 5.4667 5.4667 5.4667 5.4667 5.5570 5.5570 5.5570 5.5570 7.4575 7.4575 7.4575 7.4575 7.4923 7.4923 7.4923 7.4923 7.7758 7.7758 7.7758 7.7758 7.8231 7.8231 7.8231 7.8231 8.9120 8.9120 8.9120 8.9120 8.9339 8.9339 8.9339 8.9339 9.1028 9.1028 9.1028 9.1028 9.1257 9.1257 9.1257 9.1257 9.5519 9.5519 9.5519 9.5519 9.5576 9.5576 9.5576 9.5576 9.9183 9.9183 9.9183 9.9183 9.9247 9.9247 9.9247 9.9247 10.6407 10.6407 10.6407 10.6407 10.6577 10.6577 10.6577 10.6577 11.4879 11.4879 11.4879 11.4879 k = 0.5000 0.2992 0.2637 ( 7600 PWs) bands (ev): 1.5618 1.5618 1.5618 1.5618 1.5670 1.5670 1.5670 1.5670 5.5041 5.5041 5.5041 5.5041 5.5180 5.5180 5.5180 5.5180 7.4652 7.4652 7.4652 7.4652 7.4849 7.4849 7.4849 7.4849 7.7876 7.7876 7.7876 7.7876 7.8112 7.8112 7.8112 7.8112 8.9231 8.9231 8.9231 8.9231 8.9261 8.9261 8.9261 8.9261 9.1023 9.1023 9.1023 9.1023 9.1243 9.1243 9.1243 9.1243 9.5524 9.5524 9.5524 9.5524 9.5560 9.5560 9.5560 9.5560 9.9191 9.9191 9.9191 9.9191 9.9245 9.9245 9.9245 9.9245 10.6423 10.6423 10.6423 10.6423 10.6588 10.6588 10.6588 10.6588 11.5046 11.5046 11.5046 11.5047 k = 0.5000 0.2992 0.2637 ( 7600 PWs) bands (ev): 1.5618 1.5618 1.5618 1.5618 1.5670 1.5670 1.5670 1.5670 5.5041 5.5041 5.5041 5.5041 5.5180 5.5180 5.5180 5.5180 7.4652 7.4652 7.4652 7.4652 7.4849 7.4849 7.4849 7.4849 7.7876 7.7876 7.7876 7.7876 7.8112 7.8112 7.8112 7.8112 8.9231 8.9231 8.9231 8.9231 8.9261 8.9261 8.9261 8.9261 9.1023 9.1023 9.1023 9.1023 9.1243 9.1243 9.1243 9.1243 9.5524 9.5524 9.5524 9.5524 9.5560 9.5560 9.5560 9.5560 9.9191 9.9191 9.9191 9.9191 9.9245 9.9245 9.9245 9.9245 10.6423 10.6423 10.6423 10.6423 10.6588 10.6588 10.6588 10.6588 11.5046 11.5046 11.5046 11.5047 k = 0.4878 0.2992 0.2637 ( 7608 PWs) bands (ev): 1.5513 1.5513 1.5513 1.5513 1.5751 1.5751 1.5751 1.5751 5.4949 5.4949 5.4949 5.4949 5.5307 5.5307 5.5307 5.5307 7.4497 7.4497 7.4497 7.4497 7.4956 7.4956 7.4956 7.4956 7.7887 7.7887 7.7887 7.7887 7.8127 7.8127 7.8127 7.8127 8.9082 8.9082 8.9082 8.9082 8.9409 8.9409 8.9409 8.9409 9.0976 9.0976 9.0976 9.0976 9.1284 9.1284 9.1284 9.1284 9.5489 9.5489 9.5489 9.5489 9.5580 9.5580 9.5580 9.5580 9.9145 9.9145 9.9145 9.9145 9.9336 9.9336 9.9336 9.9336 10.6425 10.6425 10.6425 10.6425 10.6593 10.6593 10.6593 10.6593 11.5014 11.5014 11.5014 11.5014 k = 0.4756 0.2992 0.2637 ( 7608 PWs) bands (ev): 1.5363 1.5363 1.5363 1.5363 1.5828 1.5828 1.5828 1.5828 5.4845 5.4845 5.4845 5.4845 5.5516 5.5516 5.5516 5.5516 7.4236 7.4236 7.4236 7.4236 7.5077 7.5077 7.5077 7.5077 7.7918 7.7918 7.7918 7.7918 7.8171 7.8171 7.8171 7.8171 8.8922 8.8922 8.8922 8.8922 8.9567 8.9567 8.9567 8.9567 9.0879 9.0879 9.0879 9.0879 9.1364 9.1364 9.1364 9.1364 9.5428 9.5428 9.5428 9.5428 9.5598 9.5598 9.5598 9.5598 9.9123 9.9123 9.9123 9.9123 9.9491 9.9491 9.9491 9.9491 10.6433 10.6433 10.6433 10.6433 10.6607 10.6607 10.6607 10.6607 11.4975 11.4975 11.4975 11.4975 k = 0.4634 0.2992 0.2637 ( 7608 PWs) bands (ev): 1.5190 1.5190 1.5190 1.5190 1.5880 1.5880 1.5880 1.5880 5.4774 5.4774 5.4774 5.4774 5.5758 5.5758 5.5758 5.5758 7.3934 7.3934 7.3934 7.3934 7.5151 7.5151 7.5151 7.5151 7.7968 7.7968 7.7968 7.7968 7.8240 7.8240 7.8240 7.8240 8.8764 8.8764 8.8764 8.8764 8.9719 8.9719 8.9719 8.9719 9.0766 9.0766 9.0766 9.0766 9.1453 9.1453 9.1453 9.1453 9.5354 9.5354 9.5354 9.5354 9.5607 9.5607 9.5607 9.5607 9.9141 9.9141 9.9141 9.9141 9.9685 9.9685 9.9685 9.9685 10.6447 10.6447 10.6447 10.6447 10.6630 10.6630 10.6630 10.6630 11.4942 11.4942 11.4942 11.4942 k = 0.4512 0.2992 0.2637 ( 7612 PWs) bands (ev): 1.4995 1.4995 1.4995 1.4995 1.5906 1.5906 1.5906 1.5906 5.4741 5.4741 5.4741 5.4741 5.6029 5.6029 5.6029 5.6029 7.3604 7.3604 7.3604 7.3604 7.5178 7.5178 7.5178 7.5178 7.8034 7.8034 7.8034 7.8034 7.8328 7.8328 7.8328 7.8328 8.8613 8.8613 8.8613 8.8613 8.9856 8.9856 8.9856 8.9856 9.0649 9.0649 9.0649 9.0649 9.1543 9.1543 9.1543 9.1543 9.5271 9.5271 9.5271 9.5271 9.5610 9.5610 9.5610 9.5610 9.9196 9.9196 9.9196 9.9196 9.9911 9.9911 9.9911 9.9911 10.6468 10.6468 10.6468 10.6468 10.6661 10.6661 10.6661 10.6661 11.4917 11.4917 11.4917 11.4917 k = 0.4390 0.2992 0.2637 ( 7620 PWs) bands (ev): 1.4782 1.4782 1.4782 1.4782 1.5906 1.5906 1.5906 1.5906 5.4746 5.4746 5.4746 5.4746 5.6323 5.6323 5.6323 5.6323 7.3255 7.3255 7.3255 7.3255 7.5159 7.5159 7.5159 7.5159 7.8114 7.8114 7.8114 7.8114 7.8429 7.8429 7.8429 7.8429 8.8468 8.8468 8.8468 8.8468 8.9967 8.9967 8.9967 8.9967 9.0542 9.0542 9.0542 9.0542 9.1633 9.1633 9.1633 9.1633 9.5182 9.5182 9.5182 9.5182 9.5615 9.5615 9.5615 9.5615 9.9281 9.9281 9.9281 9.9281 10.0164 10.0164 10.0164 10.0164 10.6496 10.6496 10.6496 10.6496 10.6699 10.6699 10.6699 10.6699 11.4900 11.4900 11.4900 11.4900 k = 0.4268 0.2992 0.2637 ( 7612 PWs) bands (ev): 1.4551 1.4551 1.4551 1.4551 1.5880 1.5880 1.5880 1.5880 5.4791 5.4791 5.4791 5.4791 5.6635 5.6635 5.6635 5.6635 7.2895 7.2895 7.2895 7.2895 7.5102 7.5102 7.5102 7.5102 7.8204 7.8204 7.8204 7.8204 7.8536 7.8536 7.8536 7.8536 8.8332 8.8332 8.8332 8.8332 9.0022 9.0022 9.0022 9.0022 9.0473 9.0473 9.0473 9.0473 9.1725 9.1725 9.1725 9.1725 9.5091 9.5091 9.5091 9.5091 9.5627 9.5627 9.5627 9.5627 9.9389 9.9389 9.9389 9.9389 10.0438 10.0438 10.0438 10.0438 10.6532 10.6532 10.6532 10.6532 10.6745 10.6745 10.6745 10.6745 11.4892 11.4892 11.4892 11.4892 k = 0.4146 0.2992 0.2637 ( 7604 PWs) bands (ev): 1.4304 1.4304 1.4304 1.4304 1.5829 1.5829 1.5829 1.5829 5.4873 5.4873 5.4873 5.4873 5.6962 5.6962 5.6962 5.6962 7.2532 7.2532 7.2532 7.2532 7.5012 7.5012 7.5012 7.5012 7.8301 7.8301 7.8301 7.8301 7.8644 7.8644 7.8644 7.8644 8.8206 8.8206 8.8206 8.8206 8.9986 8.9986 8.9986 8.9986 9.0475 9.0475 9.0475 9.0475 9.1817 9.1817 9.1817 9.1817 9.5001 9.5001 9.5001 9.5001 9.5653 9.5653 9.5653 9.5653 9.9514 9.9514 9.9514 9.9514 10.0725 10.0725 10.0725 10.0725 10.6576 10.6576 10.6576 10.6576 10.6799 10.6799 10.6799 10.6799 11.4892 11.4892 11.4892 11.4892 k = 0.4024 0.2992 0.2637 ( 7600 PWs) bands (ev): 1.4043 1.4043 1.4043 1.4043 1.5754 1.5754 1.5754 1.5754 5.4993 5.4993 5.4993 5.4993 5.7296 5.7296 5.7296 5.7296 7.2174 7.2174 7.2174 7.2174 7.4894 7.4894 7.4894 7.4894 7.8403 7.8403 7.8403 7.8403 7.8749 7.8749 7.8749 7.8749 8.8092 8.8092 8.8092 8.8092 8.9881 8.9881 8.9881 8.9881 9.0528 9.0528 9.0528 9.0528 9.1909 9.1909 9.1909 9.1909 9.4913 9.4913 9.4913 9.4913 9.5698 9.5698 9.5698 9.5698 9.9649 9.9649 9.9649 9.9649 10.1020 10.1020 10.1020 10.1020 10.6627 10.6627 10.6627 10.6627 10.6860 10.6860 10.6860 10.6860 11.4902 11.4902 11.4902 11.4902 k = 0.3902 0.2992 0.2637 ( 7588 PWs) bands (ev): 1.3770 1.3770 1.3770 1.3770 1.5655 1.5655 1.5655 1.5655 5.5149 5.5149 5.5149 5.5149 5.7632 5.7632 5.7632 5.7632 7.1827 7.1827 7.1827 7.1827 7.4753 7.4753 7.4753 7.4753 7.8507 7.8507 7.8507 7.8507 7.8848 7.8848 7.8848 7.8848 8.7990 8.7990 8.7990 8.7990 8.9748 8.9748 8.9748 8.9748 9.0591 9.0591 9.0591 9.0591 9.1999 9.1999 9.1999 9.1999 9.4831 9.4831 9.4831 9.4831 9.5766 9.5766 9.5766 9.5766 9.9789 9.9789 9.9789 9.9789 10.1320 10.1320 10.1320 10.1320 10.6684 10.6684 10.6684 10.6684 10.6930 10.6930 10.6930 10.6930 11.4923 11.4923 11.4923 11.4923 k = 0.3780 0.2992 0.2637 ( 7584 PWs) bands (ev): 1.3487 1.3487 1.3487 1.3487 1.5534 1.5534 1.5534 1.5534 5.5338 5.5338 5.5338 5.5338 5.7963 5.7963 5.7963 5.7963 7.1501 7.1501 7.1501 7.1501 7.4594 7.4594 7.4594 7.4594 7.8609 7.8609 7.8609 7.8609 7.8941 7.8941 7.8941 7.8941 8.7902 8.7902 8.7902 8.7902 8.9606 8.9606 8.9606 8.9606 9.0645 9.0645 9.0645 9.0645 9.2085 9.2085 9.2085 9.2085 9.4756 9.4756 9.4756 9.4756 9.5858 9.5858 9.5858 9.5858 9.9928 9.9928 9.9928 9.9928 10.1618 10.1618 10.1618 10.1618 10.6745 10.6745 10.6745 10.6745 10.7009 10.7009 10.7009 10.7009 11.4953 11.4953 11.4953 11.4953 k = 0.3659 0.2992 0.2637 ( 7584 PWs) bands (ev): 1.3195 1.3195 1.3195 1.3195 1.5393 1.5393 1.5393 1.5393 5.5558 5.5558 5.5558 5.5558 5.8280 5.8280 5.8280 5.8280 7.1204 7.1204 7.1204 7.1204 7.4421 7.4421 7.4421 7.4421 7.8705 7.8705 7.8705 7.8705 7.9031 7.9031 7.9031 7.9031 8.7827 8.7827 8.7827 8.7827 8.9463 8.9463 8.9463 8.9463 9.0683 9.0683 9.0683 9.0683 9.2166 9.2166 9.2166 9.2166 9.4692 9.4692 9.4692 9.4692 9.5978 9.5978 9.5978 9.5978 10.0064 10.0064 10.0064 10.0064 10.1912 10.1912 10.1912 10.1912 10.6809 10.6809 10.6809 10.6809 10.7097 10.7097 10.7097 10.7097 11.4994 11.4994 11.4994 11.4994 k = 0.3537 0.2992 0.2637 ( 7576 PWs) bands (ev): 1.2896 1.2896 1.2896 1.2896 1.5233 1.5233 1.5233 1.5233 5.5806 5.5806 5.5806 5.5806 5.8576 5.8576 5.8576 5.8576 7.0945 7.0945 7.0945 7.0945 7.4239 7.4239 7.4239 7.4239 7.8790 7.8790 7.8790 7.8790 7.9121 7.9121 7.9121 7.9121 8.7766 8.7766 8.7766 8.7766 8.9324 8.9324 8.9324 8.9324 9.0703 9.0703 9.0703 9.0703 9.2238 9.2238 9.2238 9.2238 9.4640 9.4640 9.4640 9.4640 9.6124 9.6124 9.6124 9.6124 10.0193 10.0193 10.0193 10.0193 10.2198 10.2198 10.2198 10.2198 10.6874 10.6874 10.6874 10.6874 10.7195 10.7195 10.7195 10.7195 11.5047 11.5047 11.5047 11.5047 k = 0.3415 0.2992 0.2637 ( 7568 PWs) bands (ev): 1.2593 1.2593 1.2593 1.2593 1.5056 1.5056 1.5056 1.5056 5.6080 5.6080 5.6080 5.6080 5.8841 5.8841 5.8841 5.8841 7.0733 7.0733 7.0733 7.0733 7.4050 7.4050 7.4050 7.4050 7.8858 7.8858 7.8858 7.8858 7.9215 7.9215 7.9215 7.9215 8.7719 8.7719 8.7719 8.7719 8.9193 8.9193 8.9193 8.9193 9.0705 9.0705 9.0705 9.0705 9.2299 9.2299 9.2299 9.2299 9.4602 9.4602 9.4602 9.4602 9.6296 9.6296 9.6296 9.6296 10.0311 10.0311 10.0311 10.0311 10.2473 10.2473 10.2473 10.2473 10.6941 10.6941 10.6941 10.6941 10.7301 10.7301 10.7301 10.7301 11.5111 11.5111 11.5111 11.5111 k = 0.3293 0.2992 0.2637 ( 7580 PWs) bands (ev): 1.2286 1.2286 1.2286 1.2286 1.4864 1.4864 1.4864 1.4864 5.6375 5.6375 5.6375 5.6375 5.9066 5.9066 5.9066 5.9066 7.0577 7.0577 7.0577 7.0577 7.3860 7.3860 7.3860 7.3860 7.8907 7.8907 7.8907 7.8907 7.9315 7.9315 7.9315 7.9315 8.7686 8.7686 8.7686 8.7686 8.9072 8.9072 8.9072 8.9072 9.0690 9.0690 9.0690 9.0690 9.2347 9.2347 9.2347 9.2347 9.4579 9.4579 9.4579 9.4579 9.6490 9.6490 9.6490 9.6490 10.0417 10.0417 10.0417 10.0417 10.2735 10.2735 10.2735 10.2735 10.7008 10.7008 10.7008 10.7008 10.7413 10.7413 10.7413 10.7413 11.5187 11.5187 11.5187 11.5187 k = 0.3171 0.2992 0.2637 ( 7576 PWs) bands (ev): 1.1977 1.1977 1.1977 1.1977 1.4660 1.4660 1.4660 1.4660 5.6687 5.6687 5.6687 5.6687 5.9245 5.9245 5.9245 5.9245 7.0484 7.0484 7.0484 7.0484 7.3673 7.3673 7.3673 7.3673 7.8938 7.8938 7.8938 7.8938 7.9420 7.9420 7.9420 7.9420 8.7665 8.7665 8.7665 8.7665 8.8962 8.8962 8.8962 8.8962 9.0661 9.0661 9.0661 9.0661 9.2379 9.2379 9.2379 9.2379 9.4572 9.4572 9.4572 9.4572 9.6705 9.6705 9.6705 9.6705 10.0508 10.0508 10.0508 10.0508 10.2981 10.2981 10.2981 10.2981 10.7077 10.7077 10.7077 10.7077 10.7529 10.7529 10.7529 10.7529 11.5274 11.5274 11.5274 11.5274 k = 0.3049 0.2992 0.2637 ( 7580 PWs) bands (ev): 1.1668 1.1668 1.1668 1.1668 1.4444 1.4444 1.4444 1.4444 5.7011 5.7011 5.7011 5.7011 5.9370 5.9370 5.9370 5.9370 7.0459 7.0459 7.0459 7.0459 7.3493 7.3493 7.3493 7.3493 7.8954 7.8954 7.8954 7.8954 7.9526 7.9526 7.9526 7.9526 8.7657 8.7657 8.7657 8.7657 8.8865 8.8865 8.8865 8.8865 9.0622 9.0622 9.0622 9.0622 9.2394 9.2394 9.2394 9.2394 9.4580 9.4580 9.4580 9.4580 9.6936 9.6936 9.6936 9.6936 10.0583 10.0583 10.0583 10.0583 10.3210 10.3210 10.3210 10.3210 10.7148 10.7148 10.7148 10.7148 10.7646 10.7646 10.7646 10.7646 11.5373 11.5373 11.5373 11.5373 k = 0.2927 0.2992 0.2637 ( 7592 PWs) bands (ev): 1.1360 1.1360 1.1360 1.1360 1.4219 1.4219 1.4219 1.4219 5.7344 5.7344 5.7344 5.7344 5.9439 5.9439 5.9439 5.9439 7.0507 7.0507 7.0507 7.0507 7.3327 7.3327 7.3327 7.3327 7.8956 7.8956 7.8956 7.8956 7.9632 7.9632 7.9632 7.9632 8.7661 8.7661 8.7661 8.7661 8.8782 8.8782 8.8782 8.8782 9.0576 9.0576 9.0576 9.0576 9.2394 9.2394 9.2394 9.2394 9.4602 9.4602 9.4602 9.4602 9.7180 9.7180 9.7180 9.7180 10.0639 10.0639 10.0639 10.0639 10.3417 10.3417 10.3417 10.3417 10.7222 10.7222 10.7222 10.7222 10.7761 10.7761 10.7761 10.7761 11.5483 11.5483 11.5483 11.5483 k = 0.2805 0.2992 0.2637 ( 7604 PWs) bands (ev): 1.1055 1.1055 1.1055 1.1055 1.3988 1.3988 1.3988 1.3988 5.7679 5.7679 5.7679 5.7679 5.9450 5.9450 5.9450 5.9450 7.0626 7.0626 7.0626 7.0626 7.3179 7.3179 7.3179 7.3179 7.8948 7.8948 7.8948 7.8948 7.9734 7.9734 7.9734 7.9734 8.7675 8.7675 8.7675 8.7675 8.8713 8.8713 8.8713 8.8713 9.0528 9.0528 9.0528 9.0528 9.2378 9.2378 9.2378 9.2378 9.4636 9.4636 9.4636 9.4636 9.7433 9.7433 9.7433 9.7433 10.0677 10.0677 10.0677 10.0677 10.3601 10.3601 10.3601 10.3601 10.7300 10.7300 10.7300 10.7300 10.7875 10.7875 10.7875 10.7875 11.5603 11.5603 11.5603 11.5603 k = 0.2683 0.2992 0.2637 ( 7628 PWs) bands (ev): 1.0754 1.0754 1.0754 1.0754 1.3751 1.3751 1.3751 1.3751 5.8012 5.8012 5.8012 5.8012 5.9407 5.9407 5.9407 5.9407 7.0812 7.0812 7.0812 7.0812 7.3054 7.3054 7.3054 7.3054 7.8931 7.8931 7.8931 7.8931 7.9830 7.9830 7.9830 7.9830 8.7698 8.7698 8.7698 8.7698 8.8659 8.8659 8.8659 8.8659 9.0482 9.0482 9.0482 9.0482 9.2349 9.2349 9.2349 9.2349 9.4678 9.4678 9.4678 9.4678 9.7690 9.7690 9.7690 9.7690 10.0696 10.0696 10.0696 10.0696 10.3757 10.3757 10.3757 10.3757 10.7384 10.7384 10.7384 10.7384 10.7986 10.7986 10.7986 10.7986 11.5733 11.5733 11.5733 11.5733 k = 0.2561 0.2992 0.2637 ( 7620 PWs) bands (ev): 1.0458 1.0458 1.0458 1.0458 1.3512 1.3512 1.3512 1.3512 5.8335 5.8335 5.8335 5.8335 5.9315 5.9315 5.9315 5.9315 7.1060 7.1060 7.1060 7.1060 7.2958 7.2958 7.2958 7.2958 7.8907 7.8907 7.8907 7.8907 7.9919 7.9919 7.9919 7.9919 8.7730 8.7730 8.7730 8.7730 8.8620 8.8620 8.8620 8.8620 9.0443 9.0443 9.0443 9.0443 9.2308 9.2308 9.2308 9.2308 9.4728 9.4728 9.4728 9.4728 9.7948 9.7948 9.7948 9.7948 10.0694 10.0694 10.0694 10.0694 10.3881 10.3881 10.3881 10.3881 10.7474 10.7474 10.7474 10.7474 10.8095 10.8095 10.8095 10.8095 11.5869 11.5869 11.5869 11.5869 k = 0.2439 0.2992 0.2637 ( 7624 PWs) bands (ev): 1.0168 1.0168 1.0168 1.0168 1.3271 1.3271 1.3271 1.3271 5.8639 5.8639 5.8639 5.8639 5.9187 5.9187 5.9187 5.9187 7.1359 7.1359 7.1359 7.1359 7.2896 7.2896 7.2896 7.2896 7.8878 7.8878 7.8878 7.8878 7.9999 7.9999 7.9999 7.9999 8.7770 8.7770 8.7770 8.7770 8.8594 8.8594 8.8594 8.8594 9.0415 9.0415 9.0415 9.0415 9.2258 9.2258 9.2258 9.2258 9.4781 9.4781 9.4781 9.4781 9.8204 9.8204 9.8204 9.8204 10.0673 10.0673 10.0673 10.0673 10.3969 10.3969 10.3969 10.3969 10.7573 10.7573 10.7573 10.7573 10.8204 10.8204 10.8204 10.8204 11.6010 11.6010 11.6010 11.6010 k = 0.2317 0.2992 0.2637 ( 7628 PWs) bands (ev): 0.9886 0.9886 0.9886 0.9886 1.3031 1.3031 1.3031 1.3031 5.8869 5.8869 5.8869 5.8869 5.9079 5.9079 5.9079 5.9079 7.1700 7.1700 7.1700 7.1700 7.2876 7.2876 7.2876 7.2876 7.8846 7.8846 7.8846 7.8846 8.0068 8.0068 8.0068 8.0068 8.7817 8.7817 8.7817 8.7817 8.8581 8.8581 8.8581 8.8581 9.0403 9.0403 9.0403 9.0403 9.2199 9.2199 9.2199 9.2199 9.4836 9.4836 9.4836 9.4836 9.8452 9.8452 9.8452 9.8452 10.0632 10.0632 10.0632 10.0632 10.4017 10.4017 10.4017 10.4017 10.7679 10.7679 10.7679 10.7679 10.8315 10.8315 10.8315 10.8315 11.6152 11.6152 11.6152 11.6152 k = 0.2195 0.2992 0.2637 ( 7632 PWs) bands (ev): 0.9612 0.9612 0.9612 0.9612 1.2794 1.2794 1.2794 1.2794 5.8770 5.8770 5.8770 5.8770 5.9250 5.9250 5.9250 5.9250 7.2066 7.2066 7.2066 7.2066 7.2904 7.2904 7.2904 7.2904 7.8811 7.8811 7.8811 7.8811 8.0126 8.0126 8.0126 8.0126 8.7870 8.7870 8.7870 8.7870 8.8579 8.8579 8.8579 8.8579 9.0410 9.0410 9.0410 9.0410 9.2135 9.2135 9.2135 9.2135 9.4891 9.4891 9.4891 9.4891 9.8689 9.8689 9.8689 9.8689 10.0572 10.0572 10.0572 10.0572 10.4022 10.4022 10.4022 10.4022 10.7796 10.7796 10.7796 10.7796 10.8430 10.8430 10.8430 10.8430 11.6289 11.6289 11.6289 11.6289 k = 0.2073 0.2992 0.2637 ( 7624 PWs) bands (ev): 0.9348 0.9348 0.9348 0.9348 1.2560 1.2560 1.2560 1.2560 5.8562 5.8562 5.8562 5.8562 5.9484 5.9484 5.9484 5.9484 7.2434 7.2434 7.2434 7.2434 7.2999 7.2999 7.2999 7.2999 7.8775 7.8775 7.8775 7.8775 8.0172 8.0172 8.0172 8.0172 8.7929 8.7929 8.7929 8.7929 8.8588 8.8588 8.8588 8.8588 9.0442 9.0442 9.0442 9.0442 9.2065 9.2065 9.2065 9.2065 9.4944 9.4944 9.4944 9.4944 9.8911 9.8911 9.8911 9.8911 10.0496 10.0496 10.0496 10.0496 10.3982 10.3982 10.3982 10.3982 10.7921 10.7921 10.7921 10.7921 10.8549 10.8549 10.8549 10.8549 11.6414 11.6414 11.6414 11.6414 k = 0.1951 0.2992 0.2637 ( 7624 PWs) bands (ev): 0.9094 0.9094 0.9094 0.9094 1.2332 1.2332 1.2332 1.2332 5.8333 5.8333 5.8333 5.8333 5.9697 5.9697 5.9697 5.9697 7.2757 7.2757 7.2757 7.2757 7.3199 7.3199 7.3199 7.3199 7.8738 7.8738 7.8738 7.8738 8.0206 8.0206 8.0206 8.0206 8.7992 8.7992 8.7992 8.7992 8.8605 8.8605 8.8605 8.8605 9.0500 9.0500 9.0500 9.0500 9.1992 9.1992 9.1992 9.1992 9.4996 9.4996 9.4996 9.4996 9.9110 9.9110 9.9110 9.9110 10.0408 10.0408 10.0408 10.0408 10.3897 10.3897 10.3897 10.3897 10.8056 10.8056 10.8056 10.8056 10.8674 10.8674 10.8674 10.8674 11.6515 11.6515 11.6515 11.6515 k = 0.1829 0.2992 0.2637 ( 7632 PWs) bands (ev): 0.8852 0.8852 0.8852 0.8852 1.2111 1.2111 1.2111 1.2111 5.8095 5.8095 5.8095 5.8095 5.9881 5.9881 5.9881 5.9881 7.3001 7.3001 7.3001 7.3001 7.3529 7.3529 7.3529 7.3529 7.8702 7.8702 7.8702 7.8702 8.0226 8.0226 8.0226 8.0226 8.8061 8.8061 8.8061 8.8061 8.8629 8.8629 8.8629 8.8629 9.0588 9.0588 9.0588 9.0588 9.1915 9.1915 9.1915 9.1915 9.5044 9.5044 9.5044 9.5044 9.9276 9.9276 9.9276 9.9276 10.0317 10.0317 10.0317 10.0317 10.3770 10.3770 10.3770 10.3770 10.8200 10.8200 10.8200 10.8200 10.8803 10.8803 10.8803 10.8803 11.6579 11.6579 11.6579 11.6579 k = 0.1707 0.2992 0.2637 ( 7620 PWs) bands (ev): 0.8621 0.8621 0.8621 0.8621 1.1898 1.1898 1.1898 1.1898 5.7854 5.7854 5.7854 5.7854 6.0035 6.0035 6.0035 6.0035 7.3219 7.3219 7.3219 7.3219 7.3928 7.3928 7.3928 7.3928 7.8669 7.8669 7.8669 7.8669 8.0233 8.0233 8.0233 8.0233 8.8133 8.8133 8.8133 8.8133 8.8660 8.8660 8.8660 8.8660 9.0706 9.0706 9.0706 9.0706 9.1837 9.1837 9.1837 9.1837 9.5088 9.5088 9.5088 9.5088 9.9389 9.9389 9.9389 9.9389 10.0241 10.0241 10.0241 10.0241 10.3604 10.3604 10.3604 10.3604 10.8352 10.8352 10.8352 10.8352 10.8935 10.8935 10.8935 10.8935 11.6588 11.6588 11.6588 11.6588 k = 0.1585 0.2992 0.2637 ( 7608 PWs) bands (ev): 0.8404 0.8404 0.8404 0.8404 1.1694 1.1694 1.1694 1.1694 5.7615 5.7615 5.7615 5.7615 6.0159 6.0159 6.0159 6.0159 7.3448 7.3448 7.3448 7.3448 7.4347 7.4347 7.4347 7.4347 7.8639 7.8639 7.8639 7.8639 8.0228 8.0228 8.0228 8.0228 8.8210 8.8210 8.8210 8.8210 8.8696 8.8696 8.8696 8.8696 9.0855 9.0855 9.0855 9.0855 9.1761 9.1761 9.1761 9.1761 9.5128 9.5128 9.5128 9.5128 9.9419 9.9419 9.9419 9.9419 10.0211 10.0211 10.0211 10.0211 10.3405 10.3405 10.3405 10.3405 10.8510 10.8510 10.8510 10.8510 10.9067 10.9067 10.9067 10.9067 11.6525 11.6525 11.6525 11.6525 k = 0.1463 0.2992 0.2637 ( 7616 PWs) bands (ev): 0.8200 0.8200 0.8200 0.8200 1.1502 1.1502 1.1502 1.1502 5.7383 5.7383 5.7383 5.7383 6.0254 6.0254 6.0254 6.0254 7.3697 7.3697 7.3697 7.3697 7.4765 7.4765 7.4765 7.4765 7.8612 7.8612 7.8612 7.8612 8.0210 8.0210 8.0210 8.0210 8.8289 8.8289 8.8289 8.8289 8.8737 8.8737 8.8737 8.8737 9.1029 9.1029 9.1029 9.1029 9.1689 9.1689 9.1689 9.1689 9.5162 9.5162 9.5162 9.5162 9.9349 9.9349 9.9349 9.9349 10.0242 10.0242 10.0242 10.0242 10.3177 10.3177 10.3177 10.3177 10.8674 10.8674 10.8674 10.8674 10.9199 10.9199 10.9199 10.9199 11.6380 11.6380 11.6380 11.6380 k = 0.1341 0.2992 0.2637 ( 7620 PWs) bands (ev): 0.8010 0.8010 0.8010 0.8010 1.1320 1.1320 1.1320 1.1320 5.7160 5.7160 5.7160 5.7160 6.0325 6.0325 6.0325 6.0325 7.3965 7.3965 7.3965 7.3965 7.5173 7.5173 7.5173 7.5173 7.8592 7.8592 7.8592 7.8592 8.0181 8.0181 8.0181 8.0181 8.8372 8.8372 8.8372 8.8372 8.8782 8.8782 8.8782 8.8782 9.1211 9.1211 9.1211 9.1211 9.1640 9.1640 9.1640 9.1640 9.5192 9.5192 9.5192 9.5192 9.9201 9.9201 9.9201 9.9201 10.0315 10.0315 10.0315 10.0315 10.2929 10.2929 10.2929 10.2929 10.8840 10.8840 10.8840 10.8840 10.9328 10.9328 10.9328 10.9328 11.6156 11.6156 11.6156 11.6156 k = 0.1220 0.2992 0.2637 ( 7628 PWs) bands (ev): 0.7834 0.7834 0.7834 0.7834 1.1152 1.1152 1.1152 1.1152 5.6949 5.6949 5.6949 5.6949 6.0374 6.0374 6.0374 6.0374 7.4243 7.4243 7.4243 7.4243 7.5565 7.5565 7.5565 7.5565 7.8577 7.8577 7.8577 7.8577 8.0141 8.0141 8.0141 8.0141 8.8458 8.8458 8.8458 8.8458 8.8830 8.8830 8.8830 8.8830 9.1333 9.1333 9.1333 9.1333 9.1681 9.1681 9.1681 9.1681 9.5216 9.5216 9.5216 9.5216 9.9000 9.9000 9.9000 9.9000 10.0403 10.0403 10.0403 10.0403 10.2669 10.2669 10.2669 10.2669 10.9008 10.9008 10.9008 10.9008 10.9453 10.9453 10.9453 10.9453 11.5868 11.5868 11.5868 11.5868 k = 0.1098 0.2992 0.2637 ( 7636 PWs) bands (ev): 0.7674 0.7674 0.7674 0.7674 1.0997 1.0997 1.0997 1.0997 5.6752 5.6752 5.6752 5.6752 6.0404 6.0404 6.0404 6.0404 7.4525 7.4525 7.4525 7.4525 7.5937 7.5937 7.5937 7.5937 7.8569 7.8569 7.8569 7.8569 8.0091 8.0091 8.0091 8.0091 8.8546 8.8546 8.8546 8.8546 8.8880 8.8880 8.8880 8.8880 9.1324 9.1324 9.1324 9.1324 9.1881 9.1881 9.1881 9.1881 9.5234 9.5234 9.5234 9.5234 9.8764 9.8764 9.8764 9.8764 10.0490 10.0490 10.0490 10.0490 10.2403 10.2403 10.2403 10.2403 10.9172 10.9172 10.9172 10.9172 10.9575 10.9575 10.9575 10.9575 11.5535 11.5535 11.5535 11.5535 k = 0.0976 0.2992 0.2637 ( 7640 PWs) bands (ev): 0.7529 0.7529 0.7529 0.7529 1.0856 1.0856 1.0856 1.0856 5.6572 5.6572 5.6572 5.6572 6.0421 6.0421 6.0421 6.0421 7.4802 7.4802 7.4802 7.4802 7.6286 7.6286 7.6286 7.6286 7.8569 7.8569 7.8569 7.8569 8.0033 8.0033 8.0033 8.0033 8.8635 8.8635 8.8635 8.8635 8.8932 8.8932 8.8932 8.8932 9.1262 9.1262 9.1262 9.1262 9.2159 9.2159 9.2159 9.2159 9.5246 9.5246 9.5246 9.5246 9.8502 9.8502 9.8502 9.8502 10.0568 10.0568 10.0568 10.0568 10.2141 10.2141 10.2141 10.2141 10.9328 10.9328 10.9328 10.9328 10.9696 10.9696 10.9696 10.9696 11.5179 11.5179 11.5179 11.5179 k = 0.0854 0.2992 0.2637 ( 7636 PWs) bands (ev): 0.7401 0.7401 0.7401 0.7401 1.0730 1.0730 1.0730 1.0730 5.6409 5.6409 5.6409 5.6409 6.0426 6.0426 6.0426 6.0426 7.5065 7.5065 7.5065 7.5065 7.6608 7.6608 7.6608 7.6608 7.8577 7.8577 7.8577 7.8577 7.9968 7.9968 7.9968 7.9968 8.8724 8.8724 8.8724 8.8724 8.8983 8.8983 8.8983 8.8983 9.1188 9.1188 9.1188 9.1188 9.2473 9.2473 9.2473 9.2473 9.5253 9.5253 9.5253 9.5253 9.8218 9.8218 9.8218 9.8218 10.0634 10.0634 10.0634 10.0634 10.1893 10.1893 10.1893 10.1893 10.9470 10.9470 10.9470 10.9470 10.9819 10.9819 10.9819 10.9819 11.4815 11.4815 11.4815 11.4815 k = 0.0732 0.2992 0.2637 ( 7644 PWs) bands (ev): 0.7289 0.7289 0.7289 0.7289 1.0620 1.0620 1.0620 1.0620 5.6266 5.6266 5.6266 5.6266 6.0424 6.0424 6.0424 6.0424 7.5305 7.5305 7.5305 7.5305 7.6901 7.6901 7.6901 7.6901 7.8592 7.8592 7.8592 7.8592 7.9898 7.9898 7.9898 7.9898 8.8813 8.8813 8.8813 8.8813 8.9031 8.9031 8.9031 8.9031 9.1112 9.1112 9.1112 9.1112 9.2808 9.2808 9.2808 9.2808 9.5255 9.5255 9.5255 9.5255 9.7918 9.7918 9.7918 9.7918 10.0682 10.0682 10.0682 10.0682 10.1667 10.1667 10.1667 10.1667 10.9592 10.9592 10.9592 10.9592 10.9949 10.9949 10.9949 10.9949 11.4459 11.4459 11.4459 11.4459 k = 0.0610 0.2992 0.2637 ( 7640 PWs) bands (ev): 0.7193 0.7193 0.7193 0.7193 1.0526 1.0526 1.0526 1.0526 5.6143 5.6143 5.6143 5.6143 6.0417 6.0417 6.0417 6.0417 7.5516 7.5516 7.5516 7.5516 7.7164 7.7164 7.7164 7.7164 7.8611 7.8611 7.8611 7.8611 7.9825 7.9825 7.9825 7.9825 8.8898 8.8898 8.8898 8.8898 8.9076 8.9076 8.9076 8.9076 9.1038 9.1038 9.1038 9.1038 9.3154 9.3154 9.3154 9.3154 9.5253 9.5253 9.5253 9.5253 9.7606 9.7606 9.7606 9.7606 10.0710 10.0710 10.0710 10.0710 10.1476 10.1476 10.1476 10.1476 10.9690 10.9690 10.9690 10.9690 11.0085 11.0085 11.0085 11.0085 11.4123 11.4123 11.4123 11.4123 k = 0.0488 0.2992 0.2637 ( 7648 PWs) bands (ev): 0.7115 0.7115 0.7115 0.7115 1.0448 1.0448 1.0448 1.0448 5.6042 5.6042 5.6042 5.6042 6.0408 6.0408 6.0408 6.0408 7.5693 7.5693 7.5693 7.5693 7.7393 7.7393 7.7393 7.7393 7.8631 7.8631 7.8631 7.8631 7.9755 7.9755 7.9755 7.9755 8.8977 8.8977 8.8977 8.8977 8.9114 8.9114 8.9114 8.9114 9.0970 9.0970 9.0970 9.0970 9.3502 9.3502 9.3502 9.3502 9.5250 9.5250 9.5250 9.5250 9.7290 9.7290 9.7290 9.7290 10.0712 10.0712 10.0712 10.0712 10.1329 10.1329 10.1329 10.1329 10.9764 10.9764 10.9764 10.9764 11.0221 11.0221 11.0221 11.0221 11.3818 11.3818 11.3818 11.3818 k = 0.0366 0.2992 0.2637 ( 7648 PWs) bands (ev): 0.7053 0.7053 0.7053 0.7053 1.0387 1.0387 1.0387 1.0387 5.5962 5.5962 5.5962 5.5962 6.0399 6.0399 6.0399 6.0399 7.5832 7.5832 7.5832 7.5832 7.7584 7.7584 7.7584 7.7584 7.8650 7.8650 7.8650 7.8650 7.9691 7.9691 7.9691 7.9691 8.9047 8.9047 8.9047 8.9047 8.9144 8.9144 8.9144 8.9144 9.0911 9.0911 9.0911 9.0911 9.3836 9.3836 9.3836 9.3836 9.5247 9.5247 9.5247 9.5247 9.6980 9.6980 9.6980 9.6980 10.0689 10.0689 10.0689 10.0689 10.1233 10.1233 10.1233 10.1233 10.9819 10.9819 10.9819 10.9819 11.0349 11.0349 11.0349 11.0349 11.3557 11.3557 11.3557 11.3557 k = 0.0244 0.2992 0.2637 ( 7644 PWs) bands (ev): 0.7010 0.7010 0.7010 0.7010 1.0344 1.0344 1.0344 1.0344 5.5905 5.5905 5.5905 5.5905 6.0392 6.0392 6.0392 6.0392 7.5932 7.5932 7.5932 7.5932 7.7731 7.7731 7.7731 7.7731 7.8663 7.8663 7.8663 7.8663 7.9639 7.9639 7.9639 7.9639 8.9104 8.9104 8.9104 8.9104 8.9165 8.9165 8.9165 8.9165 9.0865 9.0865 9.0865 9.0865 9.4133 9.4133 9.4133 9.4133 9.5248 9.5248 9.5248 9.5248 9.6698 9.6698 9.6698 9.6698 10.0653 10.0653 10.0653 10.0653 10.1181 10.1181 10.1181 10.1181 10.9856 10.9856 10.9856 10.9856 11.0456 11.0456 11.0456 11.0456 11.3354 11.3354 11.3354 11.3354 k = 0.0122 0.2992 0.2637 ( 7648 PWs) bands (ev): 0.6983 0.6983 0.6983 0.6983 1.0317 1.0317 1.0317 1.0317 5.5870 5.5870 5.5870 5.5870 6.0387 6.0387 6.0387 6.0387 7.5991 7.5991 7.5991 7.5991 7.7824 7.7824 7.7824 7.7824 7.8669 7.8669 7.8669 7.8669 7.9605 7.9605 7.9605 7.9605 8.9144 8.9144 8.9144 8.9144 8.9173 8.9173 8.9173 8.9173 9.0835 9.0835 9.0835 9.0835 9.4350 9.4350 9.4350 9.4350 9.5253 9.5253 9.5253 9.5253 9.6485 9.6485 9.6485 9.6485 10.0621 10.0621 10.0621 10.0621 10.1158 10.1158 10.1158 10.1158 10.9878 10.9878 10.9878 10.9878 11.0528 11.0528 11.0528 11.0528 11.3223 11.3223 11.3223 11.3223 k = 0.0000 0.2992 0.2637 ( 7664 PWs) bands (ev): 0.6974 0.6974 0.6974 0.6974 1.0309 1.0309 1.0309 1.0309 5.5858 5.5858 5.5858 5.5858 6.0385 6.0385 6.0385 6.0385 7.6011 7.6011 7.6011 7.6011 7.7857 7.7857 7.7857 7.7857 7.8671 7.8671 7.8671 7.8671 7.9593 7.9593 7.9593 7.9593 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 9.0824 9.0824 9.0824 9.0824 9.4433 9.4433 9.4433 9.4433 9.5257 9.5257 9.5257 9.5257 9.6401 9.6401 9.6401 9.6401 10.0609 10.0609 10.0609 10.0609 10.1151 10.1151 10.1151 10.1151 10.9885 10.9885 10.9885 10.9885 11.0554 11.0554 11.0554 11.0554 11.3178 11.3178 11.3178 11.3178 k = 0.0000 0.2992 0.2637 ( 7664 PWs) bands (ev): 0.6974 0.6974 0.6974 0.6974 1.0309 1.0309 1.0309 1.0309 5.5858 5.5858 5.5858 5.5858 6.0385 6.0385 6.0385 6.0385 7.6011 7.6011 7.6011 7.6011 7.7857 7.7857 7.7857 7.7857 7.8671 7.8671 7.8671 7.8671 7.9593 7.9593 7.9593 7.9593 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 9.0824 9.0824 9.0824 9.0824 9.4433 9.4433 9.4433 9.4433 9.5257 9.5257 9.5257 9.5257 9.6401 9.6401 9.6401 9.6401 10.0609 10.0609 10.0609 10.0609 10.1151 10.1151 10.1151 10.1151 10.9885 10.9885 10.9885 10.9885 11.0554 11.0554 11.0554 11.0554 11.3178 11.3178 11.3178 11.3178 k = 0.0000 0.2872 0.2637 ( 7644 PWs) bands (ev): 0.6915 0.6915 0.6915 0.6915 1.0375 1.0375 1.0375 1.0375 5.5859 5.5859 5.5859 5.5859 6.0393 6.0393 6.0393 6.0393 7.5981 7.5981 7.5981 7.5981 7.7751 7.7751 7.7751 7.7751 7.8772 7.8772 7.8772 7.8772 7.9620 7.9620 7.9620 7.9620 8.8890 8.8890 8.8890 8.8890 8.9392 8.9392 8.9392 8.9392 9.0826 9.0826 9.0826 9.0826 9.4448 9.4448 9.4448 9.4448 9.5270 9.5270 9.5270 9.5270 9.6426 9.6426 9.6426 9.6426 10.0608 10.0608 10.0608 10.0608 10.1150 10.1150 10.1150 10.1150 10.9873 10.9873 10.9873 10.9873 11.0551 11.0551 11.0551 11.0551 11.3176 11.3176 11.3176 11.3176 k = 0.0000 0.2753 0.2637 ( 7648 PWs) bands (ev): 0.6750 0.6750 0.6750 0.6750 1.0561 1.0561 1.0561 1.0561 5.5859 5.5859 5.5859 5.5859 6.0416 6.0416 6.0416 6.0416 7.5892 7.5892 7.5892 7.5892 7.7517 7.7517 7.7517 7.7517 7.8989 7.8989 7.8989 7.8989 7.9697 7.9697 7.9697 7.9697 8.8570 8.8570 8.8570 8.8570 8.9561 8.9561 8.9561 8.9561 9.0831 9.0831 9.0831 9.0831 9.4491 9.4491 9.4491 9.4491 9.5306 9.5306 9.5306 9.5306 9.6497 9.6497 9.6497 9.6497 10.0603 10.0603 10.0603 10.0603 10.1147 10.1147 10.1147 10.1147 10.9836 10.9836 10.9836 10.9836 11.0543 11.0543 11.0543 11.0543 11.3171 11.3171 11.3171 11.3171 k = 0.0000 0.2633 0.2637 ( 7644 PWs) bands (ev): 0.6508 0.6508 0.6508 0.6508 1.0838 1.0838 1.0838 1.0838 5.5860 5.5860 5.5860 5.5860 6.0455 6.0455 6.0455 6.0455 7.5749 7.5749 7.5749 7.5749 7.7239 7.7239 7.7239 7.7239 7.9239 7.9239 7.9239 7.9239 7.9821 7.9821 7.9821 7.9821 8.8217 8.8217 8.8217 8.8217 8.9673 8.9673 8.9673 8.9673 9.0839 9.0839 9.0839 9.0839 9.4563 9.4563 9.4563 9.4563 9.5363 9.5363 9.5363 9.5363 9.6613 9.6613 9.6613 9.6613 10.0594 10.0594 10.0594 10.0594 10.1142 10.1142 10.1142 10.1142 10.9774 10.9774 10.9774 10.9774 11.0532 11.0532 11.0532 11.0532 11.3165 11.3165 11.3165 11.3165 k = 0.0000 0.2513 0.2637 ( 7630 PWs) bands (ev): 0.6219 0.6219 0.6219 0.6219 1.1175 1.1175 1.1175 1.1175 5.5862 5.5862 5.5862 5.5862 6.0510 6.0510 6.0510 6.0510 7.5558 7.5558 7.5558 7.5558 7.6946 7.6946 7.6946 7.6946 7.9491 7.9491 7.9491 7.9491 7.9982 7.9982 7.9982 7.9982 8.7841 8.7841 8.7841 8.7841 8.9730 8.9730 8.9730 8.9730 9.0852 9.0852 9.0852 9.0852 9.4659 9.4659 9.4659 9.4659 9.5435 9.5435 9.5435 9.5435 9.6767 9.6767 9.6767 9.6767 10.0583 10.0583 10.0583 10.0583 10.1136 10.1136 10.1136 10.1136 10.9686 10.9686 10.9686 10.9686 11.0518 11.0518 11.0518 11.0518 11.3158 11.3158 11.3158 11.3158 k = 0.0000 0.2394 0.2637 ( 7622 PWs) bands (ev): 0.5903 0.5903 0.5903 0.5903 1.1552 1.1552 1.1552 1.1552 5.5864 5.5864 5.5864 5.5864 6.0579 6.0579 6.0579 6.0579 7.5325 7.5325 7.5325 7.5325 7.6648 7.6648 7.6648 7.6648 7.9735 7.9735 7.9735 7.9735 8.0173 8.0173 8.0173 8.0173 8.7456 8.7456 8.7456 8.7456 8.9739 8.9739 8.9739 8.9739 9.0870 9.0870 9.0870 9.0870 9.4778 9.4778 9.4778 9.4778 9.5515 9.5515 9.5515 9.5515 9.6952 9.6952 9.6952 9.6952 10.0568 10.0568 10.0568 10.0568 10.1131 10.1131 10.1131 10.1131 10.9571 10.9571 10.9571 10.9571 11.0504 11.0504 11.0504 11.0504 11.3153 11.3153 11.3153 11.3153 k = 0.0000 0.2274 0.2637 ( 7610 PWs) bands (ev): 0.5574 0.5574 0.5574 0.5574 1.1953 1.1953 1.1953 1.1953 5.5869 5.5869 5.5869 5.5869 6.0664 6.0664 6.0664 6.0664 7.5056 7.5056 7.5056 7.5056 7.6351 7.6351 7.6351 7.6351 7.9966 7.9966 7.9966 7.9966 8.0382 8.0382 8.0382 8.0382 8.7074 8.7074 8.7074 8.7074 8.9706 8.9706 8.9706 8.9706 9.0895 9.0895 9.0895 9.0895 9.4916 9.4916 9.4916 9.4916 9.5597 9.5597 9.5597 9.5597 9.7158 9.7158 9.7158 9.7158 10.0550 10.0550 10.0550 10.0550 10.1127 10.1127 10.1127 10.1127 10.9429 10.9429 10.9429 10.9429 11.0491 11.0491 11.0491 11.0491 11.3151 11.3151 11.3151 11.3151 k = 0.0000 0.2154 0.2637 ( 7618 PWs) bands (ev): 0.5242 0.5242 0.5242 0.5242 1.2369 1.2369 1.2369 1.2369 5.5875 5.5875 5.5875 5.5875 6.0763 6.0763 6.0763 6.0763 7.4753 7.4753 7.4753 7.4753 7.6058 7.6058 7.6058 7.6058 8.0183 8.0183 8.0183 8.0183 8.0600 8.0600 8.0600 8.0600 8.6706 8.6706 8.6706 8.6706 8.9640 8.9640 8.9640 8.9640 9.0926 9.0926 9.0926 9.0926 9.5068 9.5068 9.5068 9.5068 9.5677 9.5677 9.5677 9.5677 9.7376 9.7376 9.7376 9.7376 10.0530 10.0530 10.0530 10.0530 10.1126 10.1126 10.1126 10.1126 10.9261 10.9261 10.9261 10.9261 11.0481 11.0481 11.0481 11.0481 11.3156 11.3156 11.3156 11.3156 k = 0.0000 0.2034 0.2637 ( 7626 PWs) bands (ev): 0.4913 0.4913 0.4913 0.4913 1.2790 1.2790 1.2790 1.2790 5.5883 5.5883 5.5883 5.5883 6.0877 6.0877 6.0877 6.0877 7.4420 7.4420 7.4420 7.4420 7.5771 7.5771 7.5771 7.5771 8.0381 8.0381 8.0381 8.0381 8.0817 8.0817 8.0817 8.0817 8.6365 8.6365 8.6365 8.6365 8.9550 8.9550 8.9550 8.9550 9.0965 9.0965 9.0965 9.0965 9.5230 9.5230 9.5230 9.5230 9.5752 9.5752 9.5752 9.5752 9.7595 9.7595 9.7595 9.7595 10.0506 10.0506 10.0506 10.0506 10.1133 10.1133 10.1133 10.1133 10.9070 10.9070 10.9070 10.9070 11.0476 11.0476 11.0476 11.0476 11.3167 11.3167 11.3167 11.3167 k = 0.0000 0.1915 0.2637 ( 7634 PWs) bands (ev): 0.4592 0.4592 0.4592 0.4592 1.3213 1.3213 1.3213 1.3213 5.5894 5.5894 5.5894 5.5894 6.1004 6.1004 6.1004 6.1004 7.4059 7.4059 7.4059 7.4059 7.5492 7.5492 7.5492 7.5492 8.0555 8.0555 8.0555 8.0555 8.1029 8.1029 8.1029 8.1029 8.6065 8.6065 8.6065 8.6065 8.9444 8.9444 8.9444 8.9444 9.1013 9.1013 9.1013 9.1013 9.5393 9.5393 9.5393 9.5393 9.5821 9.5821 9.5821 9.5821 9.7807 9.7807 9.7807 9.7807 10.0481 10.0481 10.0481 10.0481 10.1150 10.1150 10.1150 10.1150 10.8859 10.8859 10.8859 10.8859 11.0476 11.0476 11.0476 11.0476 11.3186 11.3186 11.3186 11.3186 k = 0.0000 0.1795 0.2637 ( 7638 PWs) bands (ev): 0.4282 0.4282 0.4282 0.4282 1.3631 1.3631 1.3631 1.3631 5.5907 5.5907 5.5907 5.5907 6.1144 6.1144 6.1144 6.1144 7.3673 7.3673 7.3673 7.3673 7.5223 7.5223 7.5223 7.5223 8.0697 8.0697 8.0697 8.0697 8.1232 8.1232 8.1232 8.1232 8.5816 8.5816 8.5816 8.5816 8.9329 8.9329 8.9329 8.9329 9.1069 9.1069 9.1069 9.1069 9.5544 9.5544 9.5544 9.5544 9.5891 9.5891 9.5891 9.5891 9.8003 9.8003 9.8003 9.8003 10.0453 10.0453 10.0453 10.0453 10.1180 10.1180 10.1180 10.1180 10.8633 10.8633 10.8633 10.8633 11.0482 11.0483 11.0483 11.0483 11.3212 11.3212 11.3212 11.3212 k = 0.0000 0.1675 0.2637 ( 7640 PWs) bands (ev): 0.3985 0.3985 0.3985 0.3985 1.4041 1.4041 1.4041 1.4041 5.5925 5.5925 5.5925 5.5925 6.1297 6.1297 6.1297 6.1297 7.3264 7.3264 7.3264 7.3264 7.4966 7.4966 7.4966 7.4966 8.0796 8.0796 8.0796 8.0796 8.1424 8.1424 8.1424 8.1424 8.5631 8.5631 8.5631 8.5631 8.9211 8.9211 8.9211 8.9211 9.1133 9.1133 9.1133 9.1133 9.5659 9.5659 9.5659 9.5659 9.5978 9.5978 9.5978 9.5978 9.8177 9.8177 9.8177 9.8177 10.0424 10.0424 10.0424 10.0424 10.1228 10.1228 10.1228 10.1228 10.8394 10.8394 10.8394 10.8394 11.0497 11.0497 11.0497 11.0497 11.3245 11.3245 11.3245 11.3245 k = 0.0000 0.1556 0.2637 ( 7636 PWs) bands (ev): 0.3703 0.3703 0.3703 0.3703 1.4441 1.4441 1.4441 1.4441 5.5946 5.5946 5.5946 5.5946 6.1461 6.1461 6.1461 6.1461 7.2837 7.2837 7.2837 7.2837 7.4722 7.4722 7.4722 7.4722 8.0846 8.0846 8.0846 8.0846 8.1604 8.1604 8.1604 8.1604 8.5515 8.5515 8.5515 8.5515 8.9096 8.9096 8.9096 8.9096 9.1205 9.1205 9.1205 9.1205 9.5715 9.5715 9.5715 9.5715 9.6099 9.6099 9.6099 9.6099 9.8324 9.8324 9.8324 9.8324 10.0394 10.0394 10.0394 10.0394 10.1297 10.1297 10.1297 10.1297 10.8149 10.8149 10.8149 10.8149 11.0519 11.0519 11.0519 11.0519 11.3284 11.3284 11.3284 11.3284 k = 0.0000 0.1436 0.2637 ( 7620 PWs) bands (ev): 0.3438 0.3438 0.3438 0.3438 1.4825 1.4825 1.4825 1.4825 5.5970 5.5970 5.5970 5.5970 6.1636 6.1636 6.1636 6.1636 7.2394 7.2394 7.2394 7.2394 7.4492 7.4492 7.4492 7.4492 8.0844 8.0844 8.0844 8.0844 8.1773 8.1773 8.1773 8.1773 8.5470 8.5470 8.5470 8.5470 8.8991 8.8991 8.8991 8.8991 9.1283 9.1283 9.1283 9.1283 9.5716 9.5716 9.5716 9.5716 9.6244 9.6244 9.6244 9.6244 9.8442 9.8442 9.8442 9.8442 10.0363 10.0363 10.0363 10.0363 10.1387 10.1387 10.1387 10.1387 10.7902 10.7902 10.7902 10.7902 11.0551 11.0551 11.0551 11.0551 11.3328 11.3328 11.3328 11.3328 k = 0.0000 0.1316 0.2637 ( 7616 PWs) bands (ev): 0.3190 0.3190 0.3190 0.3190 1.5191 1.5191 1.5191 1.5191 5.5998 5.5998 5.5998 5.5998 6.1820 6.1820 6.1820 6.1820 7.1941 7.1941 7.1941 7.1941 7.4278 7.4278 7.4278 7.4278 8.0795 8.0795 8.0795 8.0795 8.1929 8.1929 8.1929 8.1929 8.5490 8.5490 8.5490 8.5490 8.8899 8.8899 8.8899 8.8899 9.1367 9.1367 9.1367 9.1367 9.5678 9.5678 9.5678 9.5678 9.6391 9.6391 9.6391 9.6391 9.8533 9.8533 9.8533 9.8533 10.0333 10.0333 10.0333 10.0333 10.1497 10.1497 10.1497 10.1497 10.7655 10.7655 10.7655 10.7655 11.0591 11.0591 11.0591 11.0591 11.3375 11.3375 11.3375 11.3375 k = 0.0000 0.1197 0.2637 ( 7626 PWs) bands (ev): 0.2961 0.2961 0.2961 0.2961 1.5537 1.5537 1.5537 1.5537 5.6029 5.6029 5.6029 5.6029 6.2012 6.2012 6.2012 6.2012 7.1483 7.1483 7.1483 7.1483 7.4079 7.4079 7.4079 7.4079 8.0707 8.0707 8.0707 8.0707 8.2071 8.2071 8.2071 8.2071 8.5562 8.5562 8.5562 8.5562 8.8825 8.8825 8.8825 8.8825 9.1455 9.1455 9.1455 9.1455 9.5608 9.5608 9.5608 9.5608 9.6530 9.6530 9.6530 9.6530 9.8599 9.8599 9.8599 9.8599 10.0306 10.0306 10.0306 10.0306 10.1623 10.1623 10.1623 10.1623 10.7415 10.7415 10.7415 10.7415 11.0640 11.0640 11.0640 11.0640 11.3424 11.3424 11.3424 11.3424 k = 0.0000 0.1077 0.2637 ( 7626 PWs) bands (ev): 0.2752 0.2752 0.2752 0.2752 1.5859 1.5859 1.5859 1.5859 5.6062 5.6062 5.6062 5.6062 6.2210 6.2210 6.2210 6.2210 7.1025 7.1025 7.1025 7.1025 7.3898 7.3898 7.3898 7.3898 8.0593 8.0593 8.0593 8.0593 8.2199 8.2199 8.2199 8.2199 8.5671 8.5671 8.5671 8.5671 8.8774 8.8774 8.8774 8.8774 9.1545 9.1545 9.1545 9.1545 9.5511 9.5511 9.5511 9.5511 9.6654 9.6654 9.6654 9.6654 9.8645 9.8645 9.8645 9.8645 10.0281 10.0281 10.0281 10.0281 10.1760 10.1760 10.1760 10.1760 10.7185 10.7185 10.7185 10.7185 11.0695 11.0695 11.0695 11.0695 11.3472 11.3472 11.3472 11.3472 k = 0.0000 0.0957 0.2637 ( 7626 PWs) bands (ev): 0.2563 0.2563 0.2563 0.2563 1.6156 1.6156 1.6156 1.6156 5.6097 5.6097 5.6097 5.6097 6.2413 6.2413 6.2413 6.2413 7.0575 7.0575 7.0575 7.0575 7.3734 7.3734 7.3734 7.3734 8.0464 8.0464 8.0464 8.0464 8.2313 8.2313 8.2313 8.2313 8.5800 8.5800 8.5800 8.5800 8.8750 8.8750 8.8750 8.8750 9.1635 9.1635 9.1635 9.1635 9.5390 9.5390 9.5390 9.5390 9.6761 9.6761 9.6761 9.6761 9.8675 9.8675 9.8675 9.8675 10.0261 10.0261 10.0261 10.0261 10.1903 10.1903 10.1903 10.1903 10.6967 10.6967 10.6967 10.6967 11.0757 11.0757 11.0757 11.0757 11.3519 11.3519 11.3519 11.3519 k = 0.0000 0.0838 0.2637 ( 7634 PWs) bands (ev): 0.2395 0.2395 0.2395 0.2395 1.6423 1.6423 1.6423 1.6423 5.6132 5.6132 5.6132 5.6132 6.2617 6.2617 6.2617 6.2617 7.0140 7.0140 7.0140 7.0140 7.3588 7.3588 7.3588 7.3588 8.0329 8.0329 8.0329 8.0329 8.2412 8.2412 8.2412 8.2412 8.5933 8.5933 8.5933 8.5933 8.8754 8.8754 8.8754 8.8754 9.1722 9.1722 9.1722 9.1722 9.5252 9.5252 9.5252 9.5252 9.6849 9.6849 9.6849 9.6849 9.8694 9.8694 9.8694 9.8694 10.0247 10.0247 10.0247 10.0247 10.2046 10.2046 10.2046 10.2046 10.6765 10.6765 10.6765 10.6765 11.0823 11.0823 11.0823 11.0823 11.3563 11.3563 11.3563 11.3563 k = 0.0000 0.0718 0.2637 ( 7634 PWs) bands (ev): 0.2249 0.2249 0.2249 0.2249 1.6660 1.6660 1.6660 1.6660 5.6167 5.6167 5.6167 5.6167 6.2818 6.2818 6.2818 6.2818 6.9728 6.9728 6.9728 6.9728 7.3460 7.3460 7.3460 7.3460 8.0199 8.0199 8.0199 8.0199 8.2498 8.2498 8.2498 8.2498 8.6059 8.6059 8.6059 8.6059 8.8787 8.8787 8.8787 8.8787 9.1804 9.1804 9.1804 9.1804 9.5102 9.5102 9.5102 9.5102 9.6918 9.6918 9.6918 9.6918 9.8705 9.8705 9.8705 9.8705 10.0238 10.0238 10.0238 10.0238 10.2184 10.2184 10.2184 10.2184 10.6582 10.6582 10.6582 10.6582 11.0889 11.0889 11.0889 11.0889 11.3604 11.3604 11.3604 11.3604 k = 0.0000 0.0598 0.2637 ( 7640 PWs) bands (ev): 0.2124 0.2124 0.2124 0.2124 1.6864 1.6864 1.6864 1.6864 5.6199 5.6199 5.6199 5.6199 6.3012 6.3012 6.3012 6.3012 6.9347 6.9347 6.9347 6.9347 7.3352 7.3352 7.3352 7.3352 8.0078 8.0078 8.0078 8.0078 8.2570 8.2570 8.2570 8.2570 8.6168 8.6168 8.6168 8.6168 8.8844 8.8844 8.8844 8.8844 9.1879 9.1879 9.1879 9.1879 9.4948 9.4948 9.4948 9.4948 9.6969 9.6969 9.6969 9.6969 9.8711 9.8711 9.8711 9.8711 10.0234 10.0234 10.0234 10.0234 10.2312 10.2312 10.2312 10.2312 10.6421 10.6421 10.6421 10.6421 11.0953 11.0953 11.0953 11.0953 11.3639 11.3639 11.3639 11.3639 k = 0.0000 0.0479 0.2637 ( 7634 PWs) bands (ev): 0.2022 0.2022 0.2022 0.2022 1.7034 1.7034 1.7034 1.7034 5.6228 5.6228 5.6228 5.6228 6.3192 6.3192 6.3192 6.3192 6.9009 6.9009 6.9009 6.9009 7.3263 7.3263 7.3263 7.3263 7.9974 7.9974 7.9974 7.9974 8.2628 8.2628 8.2628 8.2628 8.6256 8.6256 8.6256 8.6256 8.8917 8.8917 8.8917 8.8917 9.1944 9.1944 9.1944 9.1944 9.4801 9.4801 9.4801 9.4801 9.7006 9.7006 9.7006 9.7006 9.8713 9.8713 9.8713 9.8713 10.0234 10.0234 10.0234 10.0234 10.2425 10.2425 10.2425 10.2425 10.6283 10.6283 10.6283 10.6283 11.1011 11.1011 11.1011 11.1011 11.3669 11.3669 11.3669 11.3669 k = 0.0000 0.0359 0.2637 ( 7642 PWs) bands (ev): 0.1942 0.1942 0.1942 0.1942 1.7167 1.7167 1.7167 1.7167 5.6253 5.6253 5.6253 5.6253 6.3349 6.3349 6.3349 6.3349 6.8726 6.8726 6.8726 6.8726 7.3193 7.3193 7.3193 7.3193 7.9888 7.9888 7.9888 7.9888 8.2672 8.2672 8.2672 8.2672 8.6321 8.6321 8.6321 8.6321 8.8995 8.8995 8.8995 8.8995 9.1997 9.1997 9.1997 9.1997 9.4670 9.4670 9.4670 9.4670 9.7031 9.7031 9.7031 9.7031 9.8714 9.8714 9.8714 9.8714 10.0236 10.0236 10.0236 10.0236 10.2518 10.2518 10.2518 10.2518 10.6173 10.6173 10.6173 10.6173 11.1061 11.1061 11.1061 11.1061 11.3693 11.3693 11.3693 11.3693 k = 0.0000 0.0239 0.2637 ( 7638 PWs) bands (ev): 0.1885 0.1885 0.1885 0.1885 1.7264 1.7264 1.7264 1.7264 5.6271 5.6271 5.6271 5.6271 6.3472 6.3472 6.3472 6.3472 6.8510 6.8510 6.8510 6.8510 7.3143 7.3143 7.3143 7.3143 7.9825 7.9825 7.9825 7.9825 8.2704 8.2704 8.2704 8.2704 8.6366 8.6366 8.6366 8.6366 8.9064 8.9064 8.9064 8.9064 9.2036 9.2036 9.2036 9.2036 9.4566 9.4566 9.4566 9.4566 9.7046 9.7046 9.7046 9.7046 9.8713 9.8713 9.8713 9.8713 10.0238 10.0238 10.0238 10.0238 10.2588 10.2588 10.2588 10.2588 10.6092 10.6092 10.6092 10.6092 11.1099 11.1099 11.1099 11.1099 11.3710 11.3710 11.3710 11.3710 k = 0.0000 0.0120 0.2637 ( 7626 PWs) bands (ev): 0.1850 0.1850 0.1850 0.1850 1.7322 1.7322 1.7322 1.7322 5.6283 5.6283 5.6283 5.6283 6.3552 6.3552 6.3552 6.3552 6.8374 6.8374 6.8374 6.8374 7.3113 7.3113 7.3113 7.3113 7.9787 7.9787 7.9787 7.9787 8.2724 8.2724 8.2724 8.2724 8.6392 8.6392 8.6392 8.6392 8.9112 8.9112 8.9112 8.9112 9.2060 9.2060 9.2060 9.2060 9.4499 9.4499 9.4499 9.4499 9.7054 9.7054 9.7054 9.7054 9.8713 9.8713 9.8713 9.8713 10.0241 10.0241 10.0241 10.0241 10.2632 10.2632 10.2632 10.2632 10.6042 10.6042 10.6042 10.6042 11.1123 11.1123 11.1123 11.1123 11.3720 11.3720 11.3720 11.3720 k = 0.0000 0.0000 0.2637 ( 7636 PWs) bands (ev): 0.1839 0.1839 0.1839 0.1839 1.7341 1.7341 1.7341 1.7341 5.6287 5.6287 5.6287 5.6287 6.3579 6.3579 6.3579 6.3579 6.8327 6.8327 6.8327 6.8327 7.3103 7.3103 7.3103 7.3103 7.9774 7.9774 7.9774 7.9774 8.2730 8.2730 8.2730 8.2730 8.6400 8.6400 8.6400 8.6400 8.9129 8.9129 8.9129 8.9129 9.2068 9.2068 9.2068 9.2068 9.4476 9.4476 9.4476 9.4476 9.7057 9.7057 9.7057 9.7057 9.8713 9.8713 9.8713 9.8713 10.0241 10.0241 10.0241 10.0241 10.2646 10.2646 10.2646 10.2646 10.6025 10.6025 10.6025 10.6025 11.1130 11.1130 11.1130 11.1130 11.3723 11.3723 11.3723 11.3723 k = 0.0000 0.2992-0.0000 ( 7596 PWs) bands (ev): 0.3922 0.3922 0.3922 0.3922 1.4497 1.4497 1.4497 1.4497 5.0863 5.0863 5.0863 5.0863 6.6139 6.6139 6.6139 6.6139 7.4075 7.4075 7.4075 7.4075 7.6113 7.6113 7.6113 7.6113 7.6864 7.6864 7.6864 7.6864 8.2536 8.2536 8.2536 8.2536 8.8167 8.8167 8.8167 8.8167 8.8227 8.8227 8.8227 8.8227 9.3233 9.3233 9.3233 9.3233 9.4332 9.4332 9.4332 9.4332 9.6297 9.6297 9.6297 9.6297 9.7566 9.7566 9.7566 9.7566 10.1284 10.1284 10.1284 10.1284 10.1871 10.1871 10.1871 10.1871 10.5448 10.5448 10.5448 10.5448 10.9900 10.9900 10.9900 10.9900 11.8084 11.8084 11.8084 11.8084 k = 0.0000 0.2992 0.0120 ( 7608 PWs) bands (ev): 0.3932 0.3932 0.3932 0.3932 1.4481 1.4481 1.4481 1.4481 5.0881 5.0881 5.0881 5.0881 6.6113 6.6113 6.6113 6.6113 7.4091 7.4091 7.4091 7.4091 7.6117 7.6117 7.6117 7.6117 7.6874 7.6874 7.6874 7.6874 8.2517 8.2517 8.2517 8.2517 8.8165 8.8165 8.8165 8.8165 8.8238 8.8238 8.8238 8.8238 9.3248 9.3248 9.3248 9.3248 9.4312 9.4312 9.4312 9.4312 9.6289 9.6289 9.6289 9.6289 9.7570 9.7570 9.7570 9.7570 10.1272 10.1272 10.1272 10.1272 10.1848 10.1848 10.1848 10.1848 10.5480 10.5480 10.5480 10.5480 10.9904 10.9904 10.9904 10.9904 11.7987 11.7987 11.7987 11.7987 k = 0.0000 0.2992 0.0240 ( 7604 PWs) bands (ev): 0.3961 0.3961 0.3961 0.3961 1.4434 1.4434 1.4434 1.4434 5.0935 5.0935 5.0935 5.0935 6.6034 6.6034 6.6034 6.6034 7.4138 7.4138 7.4138 7.4138 7.6130 7.6130 7.6130 7.6130 7.6905 7.6905 7.6905 7.6905 8.2464 8.2464 8.2464 8.2464 8.8161 8.8161 8.8161 8.8161 8.8272 8.8272 8.8272 8.8272 9.3290 9.3290 9.3290 9.3290 9.4254 9.4254 9.4254 9.4254 9.6269 9.6269 9.6269 9.6269 9.7581 9.7581 9.7581 9.7581 10.1238 10.1238 10.1238 10.1238 10.1784 10.1784 10.1784 10.1784 10.5573 10.5573 10.5573 10.5573 10.9917 10.9917 10.9917 10.9917 11.7740 11.7740 11.7740 11.7740 k = 0.0000 0.2992 0.0360 ( 7612 PWs) bands (ev): 0.4009 0.4009 0.4009 0.4009 1.4356 1.4356 1.4356 1.4356 5.1024 5.1024 5.1024 5.1024 6.5906 6.5906 6.5906 6.5906 7.4214 7.4214 7.4214 7.4214 7.6152 7.6152 7.6152 7.6152 7.6956 7.6956 7.6956 7.6956 8.2376 8.2376 8.2376 8.2376 8.8153 8.8153 8.8153 8.8153 8.8328 8.8328 8.8328 8.8328 9.3359 9.3359 9.3359 9.3359 9.4159 9.4159 9.4159 9.4159 9.6238 9.6238 9.6238 9.6238 9.7595 9.7595 9.7595 9.7595 10.1181 10.1181 10.1181 10.1181 10.1689 10.1689 10.1689 10.1689 10.5720 10.5720 10.5720 10.5720 10.9938 10.9938 10.9938 10.9938 11.7417 11.7417 11.7417 11.7417 k = 0.0000 0.2992 0.0479 ( 7606 PWs) bands (ev): 0.4077 0.4077 0.4077 0.4077 1.4247 1.4247 1.4247 1.4247 5.1148 5.1148 5.1148 5.1148 6.5732 6.5732 6.5732 6.5732 7.4314 7.4314 7.4314 7.4314 7.6183 7.6183 7.6183 7.6183 7.7026 7.7026 7.7026 7.7026 8.2258 8.2258 8.2258 8.2258 8.8143 8.8143 8.8143 8.8143 8.8405 8.8405 8.8405 8.8405 9.3447 9.3447 9.3447 9.3447 9.4031 9.4031 9.4031 9.4031 9.6201 9.6201 9.6201 9.6201 9.7604 9.7604 9.7604 9.7604 10.1105 10.1105 10.1105 10.1105 10.1576 10.1576 10.1576 10.1576 10.5910 10.5910 10.5910 10.5910 10.9966 10.9966 10.9966 10.9966 11.7067 11.7067 11.7067 11.7067 k = 0.0000 0.2992 0.0599 ( 7616 PWs) bands (ev): 0.4163 0.4163 0.4163 0.4163 1.4110 1.4110 1.4110 1.4110 5.1305 5.1305 5.1305 5.1305 6.5517 6.5517 6.5517 6.5517 7.4434 7.4434 7.4434 7.4434 7.6222 7.6222 7.6222 7.6222 7.7116 7.7116 7.7116 7.7116 8.2112 8.2112 8.2112 8.2112 8.8134 8.8134 8.8134 8.8134 8.8500 8.8500 8.8500 8.8500 9.3539 9.3539 9.3539 9.3539 9.3884 9.3884 9.3884 9.3884 9.6159 9.6159 9.6159 9.6159 9.7602 9.7602 9.7602 9.7602 10.1011 10.1011 10.1011 10.1011 10.1458 10.1458 10.1458 10.1458 10.6132 10.6132 10.6132 10.6132 11.0000 11.0000 11.0000 11.0000 11.6715 11.6715 11.6715 11.6715 k = 0.0000 0.2992 0.0719 ( 7618 PWs) bands (ev): 0.4267 0.4267 0.4267 0.4267 1.3946 1.3946 1.3946 1.3946 5.1494 5.1494 5.1494 5.1494 6.5265 6.5265 6.5265 6.5265 7.4569 7.4569 7.4569 7.4569 7.6270 7.6270 7.6270 7.6270 7.7222 7.7222 7.7222 7.7222 8.1943 8.1943 8.1943 8.1943 8.8125 8.8125 8.8125 8.8125 8.8613 8.8613 8.8613 8.8613 9.3543 9.3543 9.3543 9.3543 9.3808 9.3808 9.3808 9.3808 9.6116 9.6116 9.6116 9.6116 9.7583 9.7583 9.7583 9.7583 10.0909 10.0909 10.0909 10.0909 10.1344 10.1344 10.1344 10.1344 10.6379 10.6379 10.6379 10.6379 11.0039 11.0039 11.0039 11.0039 11.6375 11.6375 11.6375 11.6375 k = 0.0000 0.2992 0.0839 ( 7614 PWs) bands (ev): 0.4389 0.4389 0.4389 0.4389 1.3757 1.3757 1.3757 1.3757 5.1712 5.1712 5.1712 5.1712 6.4983 6.4983 6.4983 6.4983 7.4713 7.4713 7.4713 7.4713 7.6327 7.6327 7.6327 7.6327 7.7346 7.7346 7.7346 7.7346 8.1755 8.1755 8.1755 8.1755 8.8120 8.8120 8.8120 8.8120 8.8740 8.8740 8.8740 8.8740 9.3365 9.3365 9.3365 9.3365 9.3895 9.3895 9.3895 9.3895 9.6072 9.6072 9.6072 9.6072 9.7543 9.7543 9.7543 9.7543 10.0805 10.0805 10.0805 10.0805 10.1240 10.1240 10.1240 10.1240 10.6644 10.6644 10.6644 10.6644 11.0082 11.0082 11.0082 11.0082 11.6050 11.6050 11.6050 11.6050 k = 0.0000 0.2992 0.0959 ( 7624 PWs) bands (ev): 0.4528 0.4528 0.4528 0.4528 1.3545 1.3545 1.3545 1.3545 5.1957 5.1957 5.1957 5.1957 6.4674 6.4674 6.4674 6.4674 7.4862 7.4862 7.4862 7.4862 7.6392 7.6392 7.6392 7.6392 7.7484 7.7484 7.7484 7.7484 8.1551 8.1551 8.1551 8.1551 8.8120 8.8120 8.8120 8.8120 8.8879 8.8879 8.8879 8.8879 9.3119 9.3119 9.3119 9.3119 9.4026 9.4026 9.4026 9.4026 9.6026 9.6026 9.6026 9.6026 9.7479 9.7479 9.7479 9.7479 10.0709 10.0709 10.0709 10.0709 10.1148 10.1148 10.1148 10.1148 10.6920 10.6920 10.6920 10.6920 11.0127 11.0127 11.0127 11.0127 11.5742 11.5742 11.5742 11.5742 k = 0.0000 0.2992 0.1079 ( 7616 PWs) bands (ev): 0.4683 0.4683 0.4683 0.4683 1.3312 1.3312 1.3312 1.3312 5.2228 5.2228 5.2228 5.2228 6.4343 6.4343 6.4343 6.4343 7.5010 7.5010 7.5010 7.5010 7.6466 7.6466 7.6466 7.6466 7.7637 7.7637 7.7637 7.7637 8.1335 8.1335 8.1335 8.1335 8.8127 8.8127 8.8127 8.8127 8.9031 8.9031 8.9031 8.9031 9.2844 9.2844 9.2844 9.2844 9.4163 9.4163 9.4163 9.4163 9.5978 9.5978 9.5978 9.5978 9.7391 9.7391 9.7391 9.7391 10.0627 10.0627 10.0627 10.0627 10.1071 10.1071 10.1071 10.1071 10.7204 10.7204 10.7204 10.7204 11.0174 11.0174 11.0174 11.0174 11.5453 11.5453 11.5453 11.5453 k = 0.0000 0.2992 0.1199 ( 7624 PWs) bands (ev): 0.4853 0.4853 0.4853 0.4853 1.3062 1.3062 1.3062 1.3062 5.2520 5.2520 5.2520 5.2520 6.3995 6.3995 6.3995 6.3995 7.5155 7.5155 7.5155 7.5155 7.6548 7.6548 7.6548 7.6548 7.7800 7.7800 7.7800 7.7800 8.1111 8.1111 8.1111 8.1111 8.8141 8.8141 8.8141 8.8141 8.9191 8.9191 8.9191 8.9191 9.2549 9.2549 9.2549 9.2549 9.4292 9.4292 9.4292 9.4292 9.5928 9.5928 9.5928 9.5928 9.7284 9.7284 9.7284 9.7284 10.0560 10.0560 10.0560 10.0560 10.1012 10.1012 10.1012 10.1012 10.7490 10.7490 10.7490 10.7490 11.0220 11.0220 11.0220 11.0220 11.5179 11.5179 11.5179 11.5179 k = 0.0000 0.2992 0.1318 ( 7632 PWs) bands (ev): 0.5038 0.5038 0.5038 0.5038 1.2796 1.2796 1.2796 1.2796 5.2832 5.2832 5.2832 5.2832 6.3632 6.3632 6.3632 6.3632 7.5293 7.5293 7.5293 7.5293 7.6638 7.6638 7.6638 7.6638 7.7974 7.7974 7.7974 7.7974 8.0882 8.0882 8.0882 8.0882 8.8165 8.8165 8.8165 8.8165 8.9359 8.9359 8.9359 8.9359 9.2240 9.2240 9.2240 9.2240 9.4406 9.4406 9.4406 9.4406 9.5873 9.5873 9.5873 9.5873 9.7165 9.7165 9.7165 9.7165 10.0510 10.0510 10.0510 10.0510 10.0973 10.0973 10.0973 10.0973 10.7777 10.7777 10.7777 10.7777 11.0265 11.0265 11.0265 11.0265 11.4922 11.4922 11.4922 11.4922 k = 0.0000 0.2992 0.1438 ( 7630 PWs) bands (ev): 0.5235 0.5235 0.5235 0.5235 1.2519 1.2519 1.2519 1.2519 5.3160 5.3160 5.3160 5.3160 6.3260 6.3260 6.3260 6.3260 7.5421 7.5421 7.5421 7.5421 7.6736 7.6736 7.6736 7.6736 7.8154 7.8154 7.8154 7.8154 8.0651 8.0651 8.0651 8.0651 8.8199 8.8199 8.8199 8.8199 8.9531 8.9531 8.9531 8.9531 9.1922 9.1922 9.1922 9.1922 9.4499 9.4499 9.4499 9.4499 9.5814 9.5814 9.5814 9.5814 9.7040 9.7040 9.7040 9.7040 10.0476 10.0476 10.0476 10.0476 10.0953 10.0953 10.0953 10.0953 10.8060 10.8060 10.8060 10.8060 11.0308 11.0308 11.0308 11.0308 11.4678 11.4678 11.4678 11.4678 k = 0.0000 0.2992 0.1558 ( 7636 PWs) bands (ev): 0.5442 0.5442 0.5442 0.5442 1.2234 1.2234 1.2234 1.2234 5.3499 5.3499 5.3499 5.3499 6.2882 6.2882 6.2882 6.2882 7.5537 7.5537 7.5537 7.5537 7.6842 7.6842 7.6842 7.6842 7.8337 7.8337 7.8337 7.8337 8.0419 8.0419 8.0419 8.0419 8.8243 8.8243 8.8243 8.8243 8.9707 8.9707 8.9707 8.9707 9.1599 9.1599 9.1599 9.1599 9.4568 9.4568 9.4568 9.4568 9.5749 9.5749 9.5749 9.5749 9.6917 9.6917 9.6917 9.6917 10.0458 10.0458 10.0458 10.0458 10.0951 10.0951 10.0951 10.0951 10.8338 10.8338 10.8338 10.8338 11.0348 11.0348 11.0348 11.0348 11.4448 11.4448 11.4448 11.4448 k = 0.0000 0.2992 0.1678 ( 7630 PWs) bands (ev): 0.5657 0.5657 0.5657 0.5657 1.1944 1.1944 1.1944 1.1944 5.3846 5.3846 5.3846 5.3846 6.2502 6.2502 6.2502 6.2502 7.5641 7.5641 7.5641 7.5641 7.6955 7.6955 7.6955 7.6955 7.8519 7.8519 7.8519 7.8519 8.0192 8.0192 8.0192 8.0192 8.8298 8.8298 8.8298 8.8298 8.9881 8.9881 8.9881 8.9881 9.1278 9.1278 9.1278 9.1278 9.4609 9.4609 9.4609 9.4609 9.5679 9.5679 9.5679 9.5679 9.6803 9.6803 9.6803 9.6803 10.0455 10.0455 10.0455 10.0455 10.0963 10.0963 10.0963 10.0963 10.8606 10.8606 10.8606 10.8606 11.0385 11.0385 11.0385 11.0385 11.4230 11.4230 11.4230 11.4230 k = 0.0000 0.2992 0.1798 ( 7624 PWs) bands (ev): 0.5878 0.5878 0.5878 0.5878 1.1654 1.1654 1.1654 1.1654 5.4196 5.4196 5.4196 5.4196 6.2125 6.2125 6.2125 6.2125 7.5732 7.5732 7.5732 7.5732 7.7075 7.7075 7.7075 7.7075 7.8693 7.8693 7.8693 7.8693 7.9972 7.9972 7.9972 7.9972 8.8363 8.8363 8.8363 8.8363 9.0049 9.0049 9.0049 9.0049 9.0964 9.0964 9.0964 9.0964 9.4624 9.4624 9.4624 9.4624 9.5605 9.5605 9.5605 9.5605 9.6702 9.6702 9.6702 9.6702 10.0465 10.0465 10.0465 10.0465 10.0985 10.0985 10.0985 10.0985 10.8862 10.8862 10.8862 10.8862 11.0419 11.0419 11.0419 11.0419 11.4025 11.4025 11.4025 11.4025 k = 0.0000 0.2992 0.1918 ( 7628 PWs) bands (ev): 0.6099 0.6099 0.6099 0.6099 1.1371 1.1371 1.1371 1.1371 5.4541 5.4541 5.4541 5.4541 6.1757 6.1757 6.1757 6.1757 7.5809 7.5809 7.5809 7.5809 7.7201 7.7201 7.7201 7.7201 7.8848 7.8848 7.8848 7.8848 7.9769 7.9769 7.9769 7.9769 8.8439 8.8439 8.8439 8.8439 9.0198 9.0198 9.0198 9.0198 9.0673 9.0673 9.0673 9.0673 9.4614 9.4614 9.4614 9.4614 9.5530 9.5530 9.5530 9.5530 9.6616 9.6616 9.6616 9.6616 10.0485 10.0485 10.0485 10.0485 10.1014 10.1014 10.1014 10.1014 10.9102 10.9102 10.9102 10.9102 11.0449 11.0449 11.0449 11.0449 11.3833 11.3833 11.3833 11.3833 k = 0.0000 0.2992 0.2038 ( 7636 PWs) bands (ev): 0.6315 0.6315 0.6315 0.6315 1.1100 1.1100 1.1100 1.1100 5.4873 5.4873 5.4873 5.4873 6.1407 6.1407 6.1407 6.1407 7.5873 7.5873 7.5873 7.5873 7.7333 7.7333 7.7333 7.7333 7.8965 7.8965 7.8965 7.8965 7.9598 7.9598 7.9598 7.9598 8.8526 8.8526 8.8526 8.8526 9.0235 9.0235 9.0235 9.0235 9.0495 9.0495 9.0495 9.0495 9.4587 9.4587 9.4587 9.4587 9.5458 9.5458 9.5458 9.5458 9.6546 9.6546 9.6546 9.6546 10.0512 10.0512 10.0512 10.0512 10.1047 10.1047 10.1047 10.1047 10.9320 10.9320 10.9320 10.9320 11.0475 11.0475 11.0475 11.0475 11.3657 11.3657 11.3657 11.3657 k = 0.0000 0.2992 0.2158 ( 7648 PWs) bands (ev): 0.6519 0.6519 0.6519 0.6519 1.0849 1.0849 1.0849 1.0849 5.5182 5.5182 5.5182 5.5182 6.1084 6.1084 6.1084 6.1084 7.5924 7.5924 7.5924 7.5924 7.7467 7.7467 7.7467 7.7467 7.9001 7.9001 7.9001 7.9001 7.9500 7.9500 7.9500 7.9500 8.8624 8.8624 8.8624 8.8624 9.0029 9.0029 9.0029 9.0029 9.0563 9.0563 9.0563 9.0563 9.4548 9.4548 9.4548 9.4548 9.5392 9.5392 9.5392 9.5392 9.6492 9.6492 9.6492 9.6492 10.0541 10.0541 10.0541 10.0541 10.1079 10.1079 10.1079 10.1079 10.9511 10.9511 10.9511 10.9511 11.0499 11.0499 11.0499 11.0499 11.3500 11.3500 11.3500 11.3500 k = 0.0000 0.2992 0.2277 ( 7648 PWs) bands (ev): 0.6700 0.6700 0.6700 0.6700 1.0632 1.0632 1.0632 1.0632 5.5453 5.5453 5.5453 5.5453 6.0803 6.0803 6.0803 6.0803 7.5963 7.5963 7.5963 7.5963 7.7601 7.7601 7.7601 7.7601 7.8931 7.8931 7.8931 7.8931 7.9499 7.9499 7.9499 7.9499 8.8736 8.8736 8.8736 8.8736 8.9786 8.9786 8.9786 8.9786 9.0667 9.0667 9.0667 9.0667 9.4505 9.4505 9.4505 9.4505 9.5336 9.5336 9.5336 9.5336 9.6451 9.6451 9.6451 9.6451 10.0568 10.0568 10.0568 10.0568 10.1108 10.1108 10.1108 10.1108 10.9669 10.9669 10.9669 10.9669 11.0520 11.0520 11.0520 11.0520 11.3367 11.3367 11.3367 11.3367 k = 0.0000 0.2992 0.2397 ( 7652 PWs) bands (ev): 0.6845 0.6845 0.6845 0.6845 1.0459 1.0459 1.0459 1.0459 5.5669 5.5669 5.5669 5.5669 6.0580 6.0580 6.0580 6.0580 7.5990 7.5990 7.5990 7.5990 7.7724 7.7724 7.7724 7.7724 7.8814 7.8814 7.8814 7.8814 7.9542 7.9542 7.9542 7.9542 8.8862 8.8862 8.8862 8.8862 8.9557 8.9557 8.9557 8.9557 9.0752 9.0752 9.0752 9.0752 9.4468 9.4468 9.4468 9.4468 9.5293 9.5293 9.5293 9.5293 9.6423 9.6423 9.6423 9.6423 10.0590 10.0590 10.0590 10.0590 10.1131 10.1131 10.1131 10.1131 10.9787 10.9787 10.9787 10.9787 11.0537 11.0537 11.0537 11.0537 11.3265 11.3265 11.3265 11.3265 k = 0.0000 0.2992 0.2517 ( 7648 PWs) bands (ev): 0.6941 0.6941 0.6941 0.6941 1.0348 1.0348 1.0348 1.0348 5.5809 5.5809 5.5809 5.5809 6.0435 6.0435 6.0435 6.0435 7.6006 7.6006 7.6006 7.6006 7.7819 7.7819 7.7819 7.7819 7.8712 7.8712 7.8712 7.8712 7.9579 7.9579 7.9579 7.9579 8.9005 8.9005 8.9005 8.9005 8.9351 8.9351 8.9351 8.9351 9.0806 9.0806 9.0806 9.0806 9.4442 9.4442 9.4442 9.4442 9.5266 9.5266 9.5266 9.5266 9.6407 9.6407 9.6407 9.6407 10.0604 10.0604 10.0604 10.0604 10.1146 10.1146 10.1146 10.1146 10.9860 10.9860 10.9860 10.9860 11.0550 11.0550 11.0550 11.0550 11.3200 11.3200 11.3200 11.3200 k = 0.0000 0.2992 0.2637 ( 7664 PWs) bands (ev): 0.6974 0.6974 0.6974 0.6974 1.0309 1.0309 1.0309 1.0309 5.5858 5.5858 5.5858 5.5858 6.0385 6.0385 6.0385 6.0385 7.6011 7.6011 7.6011 7.6011 7.7857 7.7857 7.7857 7.7857 7.8671 7.8671 7.8671 7.8671 7.9593 7.9593 7.9593 7.9593 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 8.9167 9.0824 9.0824 9.0824 9.0824 9.4433 9.4433 9.4433 9.4433 9.5257 9.5257 9.5257 9.5257 9.6401 9.6401 9.6401 9.6401 10.0609 10.0609 10.0609 10.0609 10.1151 10.1151 10.1151 10.1151 10.9885 10.9885 10.9885 10.9885 11.0554 11.0554 11.0554 11.0554 11.3178 11.3178 11.3178 11.3178 k = 0.5000-0.0000 0.2637 ( 7632 PWs) bands (ev): 1.5324 1.5324 1.5324 1.5324 1.5680 1.5680 1.5680 1.5680 4.9599 4.9599 4.9599 4.9599 6.5873 6.5873 6.5873 6.5873 7.2038 7.2038 7.2038 7.2038 7.4685 7.4685 7.4685 7.4685 7.5593 7.5593 7.5593 7.5593 8.1142 8.1142 8.1142 8.1142 8.6220 8.6220 8.6220 8.6220 8.6577 8.6577 8.6577 8.6577 9.1317 9.1317 9.1317 9.1317 9.3077 9.3077 9.3077 9.3077 9.6290 9.6290 9.6290 9.6290 9.7291 9.7291 9.7291 9.7291 9.8595 9.8595 9.8595 9.8595 9.9791 9.9791 9.9791 9.9791 10.2484 10.2484 10.2484 10.2484 10.4412 10.4412 10.4412 10.4412 11.5724 11.5724 11.5724 11.5724 k = 0.5000-0.0000 0.2517 ( 7634 PWs) bands (ev): 1.5297 1.5297 1.5304 1.5304 1.5697 1.5697 1.5705 1.5705 4.9618 4.9618 4.9618 4.9618 6.5826 6.5826 6.5877 6.5877 7.1981 7.1981 7.2055 7.2055 7.4660 7.4660 7.4701 7.4701 7.5609 7.5609 7.5621 7.5621 8.1093 8.1093 8.1179 8.1179 8.6170 8.6170 8.6197 8.6197 8.6619 8.6619 8.6637 8.6637 9.1309 9.1309 9.1315 9.1315 9.3074 9.3074 9.3083 9.3083 9.6272 9.6272 9.6294 9.6294 9.7269 9.7269 9.7293 9.7293 9.8590 9.8590 9.8593 9.8593 9.9795 9.9795 9.9800 9.9800 10.2376 10.2376 10.2541 10.2541 10.4388 10.4388 10.4527 10.4527 11.5738 11.5738 11.5745 11.5745 k = 0.5000-0.0000 0.2397 ( 7642 PWs) bands (ev): 1.5238 1.5238 1.5248 1.5248 1.5748 1.5748 1.5760 1.5760 4.9675 4.9675 4.9675 4.9675 6.5736 6.5736 6.5835 6.5835 7.1888 7.1888 7.2031 7.2031 7.4627 7.4627 7.4706 7.4706 7.5671 7.5671 7.5691 7.5691 8.1035 8.1035 8.1204 8.1204 8.6091 8.6091 8.6125 8.6125 8.6738 8.6738 8.6753 8.6753 9.1290 9.1290 9.1303 9.1303 9.3075 9.3075 9.3093 9.3093 9.6240 9.6240 9.6285 9.6285 9.7225 9.7225 9.7273 9.7273 9.8581 9.8581 9.8587 9.8587 9.9812 9.9812 9.9822 9.9822 10.2240 10.2240 10.2535 10.2535 10.4463 10.4463 10.4710 10.4710 11.5788 11.5788 11.5802 11.5802 k = 0.5000-0.0000 0.2277 ( 7626 PWs) bands (ev): 1.5163 1.5163 1.5174 1.5174 1.5814 1.5814 1.5829 1.5829 4.9769 4.9769 4.9770 4.9770 6.5604 6.5604 6.5748 6.5748 7.1766 7.1766 7.1968 7.1968 7.4589 7.4589 7.4702 7.4702 7.5772 7.5772 7.5795 7.5795 8.0968 8.0968 8.1213 8.1213 8.6016 8.6016 8.6043 8.6043 8.6893 8.6893 8.6895 8.6895 9.1263 9.1263 9.1283 9.1283 9.3080 9.3080 9.3106 9.3106 9.6193 9.6193 9.6261 9.6261 9.7161 9.7161 9.7231 9.7231 9.8568 9.8568 9.8578 9.8578 9.9840 9.9840 9.9857 9.9857 10.2096 10.2096 10.2477 10.2477 10.4628 10.4628 10.4940 10.4940 11.5873 11.5873 11.5893 11.5893 k = 0.5000-0.0000 0.2158 ( 7622 PWs) bands (ev): 1.5080 1.5080 1.5092 1.5092 1.5886 1.5886 1.5902 1.5902 4.9901 4.9901 4.9902 4.9902 6.5431 6.5431 6.5615 6.5615 7.1624 7.1624 7.1874 7.1874 7.4549 7.4549 7.4692 7.4692 7.5906 7.5906 7.5924 7.5924 8.0894 8.0894 8.1207 8.1207 8.5954 8.5954 8.5966 8.5966 8.7051 8.7051 8.7068 8.7068 9.1228 9.1228 9.1257 9.1257 9.3087 9.3087 9.3119 9.3119 9.6131 9.6131 9.6224 9.6224 9.7077 9.7077 9.7166 9.7166 9.8555 9.8555 9.8568 9.8568 9.9877 9.9877 9.9902 9.9902 10.1958 10.1958 10.2386 10.2386 10.4859 10.4859 10.5204 10.5204 11.5993 11.5993 11.6020 11.6020 k = 0.5000-0.0000 0.2038 ( 7626 PWs) bands (ev): 1.4994 1.4994 1.5005 1.5005 1.5959 1.5959 1.5976 1.5976 5.0069 5.0069 5.0070 5.0070 6.5218 6.5218 6.5433 6.5433 7.1469 7.1469 7.1755 7.1755 7.4510 7.4510 7.4681 7.4681 7.6062 7.6062 7.6071 7.6071 8.0812 8.0812 8.1182 8.1182 8.5901 8.5901 8.5908 8.5908 8.7215 8.7215 8.7253 8.7253 9.1188 9.1188 9.1228 9.1228 9.3095 9.3095 9.3134 9.3134 9.6055 9.6055 9.6172 9.6172 9.6972 9.6972 9.7078 9.7078 9.8544 9.8544 9.8561 9.8561 9.9923 9.9923 9.9956 9.9956 10.1835 10.1835 10.2281 10.2281 10.5135 10.5135 10.5490 10.5490 11.6149 11.6149 11.6180 11.6180 k = 0.5000-0.0000 0.1918 ( 7638 PWs) bands (ev): 1.4907 1.4907 1.4918 1.4918 1.6031 1.6031 1.6048 1.6048 5.0272 5.0272 5.0274 5.0274 6.4965 6.4965 6.5204 6.5204 7.1308 7.1308 7.1618 7.1618 7.4477 7.4477 7.4671 7.4671 7.6230 7.6230 7.6232 7.6232 8.0722 8.0722 8.1139 8.1139 8.5848 8.5848 8.5880 8.5880 8.7382 8.7382 8.7445 8.7445 9.1147 9.1147 9.1199 9.1199 9.3104 9.3104 9.3146 9.3146 9.5965 9.5965 9.6104 9.6104 9.6850 9.6850 9.6966 9.6966 9.8538 9.8538 9.8557 9.8557 9.9975 9.9975 10.0016 10.0016 10.1731 10.1731 10.2177 10.2177 10.5441 10.5441 10.5793 10.5793 11.6340 11.6340 11.6375 11.6375 k = 0.5000-0.0000 0.1798 ( 7638 PWs) bands (ev): 1.4820 1.4820 1.4830 1.4830 1.6101 1.6101 1.6118 1.6118 5.0511 5.0511 5.0514 5.0514 6.4674 6.4674 6.4929 6.4929 7.1147 7.1147 7.1467 7.1467 7.4453 7.4453 7.4667 7.4667 7.6394 7.6394 7.6409 7.6409 8.0626 8.0626 8.1079 8.1079 8.5811 8.5811 8.5868 8.5868 8.7549 8.7549 8.7637 8.7637 9.1108 9.1108 9.1175 9.1175 9.3111 9.3111 9.3156 9.3156 9.5863 9.5863 9.6023 9.6023 9.6712 9.6712 9.6831 9.6831 9.8538 9.8538 9.8559 9.8559 10.0033 10.0033 10.0082 10.0082 10.1649 10.1649 10.2080 10.2080 10.5766 10.5766 10.6106 10.6106 11.6565 11.6565 11.6602 11.6602 k = 0.5000-0.0000 0.1678 ( 7638 PWs) bands (ev): 1.4735 1.4735 1.4744 1.4744 1.6168 1.6168 1.6185 1.6185 5.0783 5.0783 5.0787 5.0787 6.4346 6.4346 6.4609 6.4609 7.0987 7.0987 7.1309 7.1309 7.4441 7.4441 7.4671 7.4671 7.6559 7.6559 7.6587 7.6587 8.0522 8.0522 8.1000 8.1000 8.5789 8.5789 8.5874 8.5874 8.7711 8.7711 8.7826 8.7826 9.1076 9.1076 9.1159 9.1159 9.3115 9.3115 9.3162 9.3162 9.5751 9.5751 9.5929 9.5929 9.6561 9.6561 9.6676 9.6676 9.8544 9.8544 9.8566 9.8566 10.0096 10.0096 10.0150 10.0150 10.1586 10.1586 10.1995 10.1995 10.6103 10.6103 10.6426 10.6426 11.6824 11.6824 11.6862 11.6862 k = 0.5000-0.0000 0.1558 ( 7634 PWs) bands (ev): 1.4652 1.4652 1.4661 1.4661 1.6232 1.6232 1.6249 1.6249 5.1087 5.1087 5.1093 5.1093 6.3982 6.3982 6.4246 6.4246 7.0832 7.0832 7.1146 7.1146 7.4442 7.4442 7.4686 7.4686 7.6719 7.6719 7.6761 7.6761 8.0412 8.0412 8.0906 8.0906 8.5783 8.5783 8.5894 8.5894 8.7864 8.7864 8.8004 8.8004 9.1056 9.1056 9.1158 9.1158 9.3115 9.3115 9.3163 9.3163 9.5633 9.5633 9.5824 9.5824 9.6397 9.6397 9.6503 9.6503 9.8556 9.8556 9.8579 9.8579 10.0161 10.0161 10.0218 10.0218 10.1543 10.1543 10.1923 10.1923 10.6447 10.6447 10.6749 10.6749 11.7115 11.7115 11.7151 11.7151 k = 0.5000-0.0000 0.1438 ( 7636 PWs) bands (ev): 1.4572 1.4572 1.4580 1.4580 1.6292 1.6292 1.6308 1.6308 5.1423 5.1423 5.1431 5.1431 6.3586 6.3586 6.3844 6.3844 7.0684 7.0684 7.0982 7.0982 7.4459 7.4459 7.4713 7.4713 7.6873 7.6873 7.6927 7.6927 8.0297 8.0297 8.0798 8.0798 8.5792 8.5792 8.5928 8.5928 8.8002 8.8002 8.8166 8.8166 9.1053 9.1053 9.1174 9.1174 9.3109 9.3109 9.3157 9.3157 9.5512 9.5512 9.5712 9.5712 9.6223 9.6223 9.6315 9.6315 9.8573 9.8573 9.8596 9.8596 10.0229 10.0229 10.0286 10.0286 10.1517 10.1517 10.1866 10.1866 10.6793 10.6793 10.7073 10.7073 11.7435 11.7435 11.7468 11.7468 k = 0.5000-0.0000 0.1318 ( 7622 PWs) bands (ev): 1.4496 1.4496 1.4504 1.4504 1.6348 1.6348 1.6363 1.6363 5.1788 5.1788 5.1798 5.1798 6.3159 6.3159 6.3408 6.3408 7.0542 7.0542 7.0821 7.0821 7.4494 7.4494 7.4753 7.4753 7.7016 7.7016 7.7080 7.7080 8.0178 8.0178 8.0678 8.0678 8.5816 8.5816 8.5973 8.5973 8.8121 8.8121 8.8307 8.8307 9.1073 9.1073 9.1213 9.1213 9.3097 9.3097 9.3144 9.3144 9.5390 9.5390 9.5596 9.5596 9.6039 9.6039 9.6116 9.6116 9.8594 9.8594 9.8618 9.8618 10.0295 10.0295 10.0350 10.0350 10.1506 10.1506 10.1823 10.1823 10.7137 10.7137 10.7395 10.7395 11.7781 11.7781 11.7808 11.7808 k = 0.5000-0.0000 0.1199 ( 7612 PWs) bands (ev): 1.4425 1.4425 1.4431 1.4431 1.6399 1.6399 1.6414 1.6414 5.2181 5.2181 5.2194 5.2194 6.2704 6.2704 6.2939 6.2939 7.0409 7.0409 7.0664 7.0664 7.4545 7.4545 7.4807 7.4807 7.7146 7.7146 7.7217 7.7217 8.0059 8.0059 8.0550 8.0550 8.5853 8.5853 8.6027 8.6027 8.8220 8.8220 8.8422 8.8422 9.1121 9.1121 9.1276 9.1276 9.3078 9.3078 9.3123 9.3123 9.5270 9.5270 9.5479 9.5479 9.5849 9.5849 9.5910 9.5910 9.8619 9.8619 9.8644 9.8644 10.0359 10.0359 10.0410 10.0410 10.1508 10.1508 10.1793 10.1793 10.7476 10.7476 10.7710 10.7710 11.8148 11.8148 11.8166 11.8166 k = 0.5000-0.0000 0.1079 ( 7610 PWs) bands (ev): 1.4358 1.4358 1.4364 1.4364 1.6446 1.6446 1.6460 1.6460 5.2601 5.2601 5.2616 5.2616 6.2225 6.2225 6.2444 6.2444 7.0285 7.0285 7.0513 7.0513 7.4611 7.4611 7.4872 7.4872 7.7260 7.7260 7.7336 7.7336 7.9942 7.9942 8.0418 8.0418 8.5902 8.5902 8.6088 8.6088 8.8295 8.8295 8.8507 8.8507 9.1198 9.1198 9.1364 9.1364 9.3053 9.3053 9.3093 9.3093 9.5153 9.5153 9.5364 9.5364 9.5653 9.5653 9.5702 9.5702 9.8646 9.8646 9.8671 9.8671 10.0418 10.0418 10.0463 10.0463 10.1521 10.1521 10.1775 10.1775 10.7807 10.7807 10.8017 10.8017 11.8532 11.8532 11.8536 11.8536 k = 0.5000-0.0000 0.0959 ( 7612 PWs) bands (ev): 1.4297 1.4297 1.4302 1.4302 1.6489 1.6489 1.6502 1.6502 5.3044 5.3044 5.3063 5.3063 6.1723 6.1723 6.1925 6.1925 7.0171 7.0171 7.0372 7.0372 7.4692 7.4692 7.4947 7.4947 7.7357 7.7357 7.7432 7.7432 7.9833 7.9833 8.0285 8.0285 8.5961 8.5961 8.6152 8.6152 8.8350 8.8350 8.8563 8.8563 9.1305 9.1305 9.1475 9.1475 9.3021 9.3021 9.3056 9.3056 9.5036 9.5036 9.5251 9.5251 9.5458 9.5458 9.5499 9.5499 9.8674 9.8674 9.8699 9.8699 10.0471 10.0471 10.0509 10.0509 10.1543 10.1543 10.1767 10.1767 10.8126 10.8126 10.8312 10.8312 11.8909 11.8909 11.8923 11.8923 k = 0.5000-0.0000 0.0839 ( 7610 PWs) bands (ev): 1.4242 1.4242 1.4247 1.4247 1.6527 1.6527 1.6539 1.6539 5.3510 5.3510 5.3533 5.3533 6.1203 6.1203 6.1387 6.1387 7.0068 7.0068 7.0242 7.0242 7.4784 7.4784 7.5029 7.5029 7.7434 7.7434 7.7505 7.7505 7.9736 7.9736 8.0155 8.0155 8.6027 8.6027 8.6217 8.6217 8.8385 8.8385 8.8593 8.8593 9.1439 9.1439 9.1606 9.1606 9.2986 9.2986 9.3012 9.3012 9.4912 9.4912 9.5130 9.5130 9.5278 9.5278 9.5315 9.5315 9.8703 9.8703 9.8727 9.8727 10.0516 10.0516 10.0547 10.0547 10.1572 10.1572 10.1767 10.1767 10.8427 10.8427 10.8589 10.8589 11.9272 11.9272 11.9310 11.9310 k = 0.5000-0.0000 0.0719 ( 7594 PWs) bands (ev): 1.4194 1.4194 1.4198 1.4198 1.6560 1.6560 1.6570 1.6570 5.3996 5.3996 5.4024 5.4024 6.0668 6.0668 6.0834 6.0834 6.9978 6.9978 7.0125 7.0125 7.4884 7.4884 7.5113 7.5113 7.7491 7.7491 7.7553 7.7553 7.9655 7.9655 8.0033 8.0033 8.6097 8.6097 8.6279 8.6279 8.8407 8.8407 8.8601 8.8601 9.1593 9.1593 9.1751 9.1751 9.2950 9.2950 9.2964 9.2964 9.4769 9.4769 9.4972 9.4972 9.5146 9.5146 9.5165 9.5165 9.8731 9.8731 9.8753 9.8753 10.0554 10.0554 10.0578 10.0578 10.1606 10.1606 10.1772 10.1772 10.8707 10.8707 10.8846 10.8846 11.9610 11.9610 11.9681 11.9681 k = 0.5000-0.0000 0.0599 ( 7582 PWs) bands (ev): 1.4152 1.4152 1.4155 1.4155 1.6589 1.6589 1.6597 1.6597 5.4500 5.4500 5.4533 5.4533 6.0121 6.0121 6.0269 6.0269 6.9901 6.9901 7.0022 7.0022 7.4989 7.4989 7.5196 7.5196 7.7528 7.7528 7.7577 7.7577 7.9593 7.9593 7.9920 7.9920 8.6169 8.6169 8.6336 8.6336 8.8418 8.8418 8.8593 8.8593 9.1762 9.1762 9.1904 9.1904 9.2913 9.2913 9.2916 9.2916 9.4604 9.4604 9.4783 9.4783 9.5057 9.5057 9.5061 9.5061 9.8757 9.8757 9.8778 9.8778 10.0585 10.0585 10.0603 10.0603 10.1642 10.1642 10.1780 10.1780 10.8961 10.8961 10.9076 10.9076 11.9905 11.9905 12.0018 12.0018 k = 0.5000-0.0000 0.0479 ( 7578 PWs) bands (ev): 1.4118 1.4118 1.4120 1.4120 1.6612 1.6612 1.6619 1.6619 5.5018 5.5018 5.5058 5.5058 5.9566 5.9566 5.9697 5.9697 6.9838 6.9838 6.9934 6.9934 7.5092 7.5092 7.5272 7.5272 7.7547 7.7547 7.7581 7.7581 7.9552 7.9552 7.9821 7.9821 8.6238 8.6238 8.6383 8.6383 8.8425 8.8425 8.8573 8.8573 9.1937 9.1937 9.2054 9.2054 9.2864 9.2864 9.2887 9.2887 9.4430 9.4430 9.4590 9.4590 9.4984 9.4984 9.4998 9.4998 9.8781 9.8781 9.8798 9.8798 10.0608 10.0608 10.0621 10.0621 10.1678 10.1678 10.1788 10.1788 10.9182 10.9182 10.9274 10.9274 12.0145 12.0145 12.0305 12.0305 k = 0.5000-0.0000 0.0360 ( 7574 PWs) bands (ev): 1.4091 1.4091 1.4093 1.4093 1.6630 1.6630 1.6636 1.6636 5.5547 5.5547 5.5594 5.5594 5.9008 5.9008 5.9123 5.9123 6.9791 6.9791 6.9862 6.9862 7.5189 7.5189 7.5333 7.5333 7.7553 7.7553 7.7573 7.7573 7.9530 7.9530 7.9735 7.9735 8.6302 8.6302 8.6418 8.6418 8.8430 8.8430 8.8546 8.8546 9.2107 9.2107 9.2192 9.2192 9.2821 9.2821 9.2865 9.2865 9.4265 9.4265 9.4406 9.4406 9.4936 9.4936 9.4952 9.4952 9.8801 9.8801 9.8815 9.8815 10.0625 10.0625 10.0634 10.0634 10.1711 10.1711 10.1793 10.1793 10.9364 10.9364 10.9434 10.9434 12.0329 12.0329 12.0532 12.0532 k = 0.5000-0.0000 0.0240 ( 7582 PWs) bands (ev): 1.4071 1.4071 1.4073 1.4073 1.6644 1.6644 1.6647 1.6647 5.6080 5.6080 5.6134 5.6134 5.8456 5.8456 5.8554 5.8554 6.9760 6.9760 6.9807 6.9807 7.5273 7.5273 7.5375 7.5375 7.7549 7.7549 7.7559 7.7559 7.9527 7.9527 7.9665 7.9665 8.6357 8.6357 8.6439 8.6439 8.8437 8.8437 8.8518 8.8518 9.2257 9.2257 9.2304 9.2304 9.2791 9.2791 9.2847 9.2847 9.4131 9.4131 9.4243 9.4243 9.4907 9.4907 9.4919 9.4919 9.8816 9.8816 9.8826 9.8826 10.0637 10.0637 10.0642 10.0642 10.1740 10.1740 10.1795 10.1795 10.9503 10.9503 10.9549 10.9549 12.0471 12.0471 12.0690 12.0690 k = 0.5000-0.0000 0.0120 ( 7580 PWs) bands (ev): 1.4060 1.4060 1.4060 1.4060 1.6652 1.6652 1.6654 1.6654 5.6596 5.6596 5.6651 5.6651 5.7935 5.7935 5.8013 5.8013 6.9745 6.9745 6.9769 6.9769 7.5338 7.5338 7.5391 7.5391 7.7543 7.7543 7.7547 7.7547 7.9540 7.9540 7.9610 7.9610 8.6401 8.6401 8.6443 8.6443 8.8449 8.8449 8.8491 8.8491 9.2363 9.2363 9.2379 9.2379 9.2783 9.2783 9.2828 9.2828 9.4054 9.4054 9.4118 9.4118 9.4892 9.4892 9.4899 9.4899 9.8827 9.8827 9.8832 9.8832 10.0644 10.0644 10.0646 10.0646 10.1763 10.1763 10.1790 10.1790 10.9593 10.9593 10.9616 10.9616 12.0589 12.0589 12.0750 12.0750 k = 0.5000-0.0000-0.0000 ( 7580 PWs) bands (ev): 1.4056 1.4056 1.4056 1.4056 1.6656 1.6656 1.6656 1.6656 5.6939 5.6939 5.6939 5.6939 5.7653 5.7653 5.7653 5.7653 6.9748 6.9748 6.9748 6.9748 7.5378 7.5378 7.5378 7.5378 7.7542 7.7542 7.7542 7.7542 7.9568 7.9568 7.9568 7.9568 8.6430 8.6430 8.6430 8.6430 8.8467 8.8467 8.8467 8.8467 9.2403 9.2403 9.2403 9.2403 9.2801 9.2801 9.2801 9.2801 9.4049 9.4049 9.4049 9.4049 9.4889 9.4889 9.4889 9.4889 9.8832 9.8832 9.8832 9.8832 10.0647 10.0647 10.0647 10.0647 10.1780 10.1780 10.1780 10.1780 10.9631 10.9631 10.9631 10.9631 12.0692 12.0692 12.0692 12.0693 k = 0.5000 0.2992-0.0000 ( 7620 PWs) bands (ev): 1.5418 1.5418 1.5418 1.5418 1.5499 1.5499 1.5499 1.5499 5.7114 5.7114 5.7114 5.7114 5.7187 5.7187 5.7187 5.7187 7.2923 7.2923 7.2923 7.2923 7.3258 7.3258 7.3258 7.3258 7.7507 7.7507 7.7507 7.7507 7.7611 7.7611 7.7611 7.7611 8.9045 8.9045 8.9045 8.9045 8.9156 8.9156 8.9156 8.9156 9.1839 9.1839 9.1839 9.1839 9.1851 9.1851 9.1851 9.1851 9.3159 9.3159 9.3159 9.3159 9.3290 9.3290 9.3290 9.3290 9.9292 9.9292 9.9292 9.9292 9.9294 9.9294 9.9294 9.9294 10.5004 10.5004 10.5004 10.5004 10.5136 10.5136 10.5136 10.5136 11.7414 11.7414 11.7414 11.7417 k = 0.5000 0.2992 0.0120 ( 7616 PWs) bands (ev): 1.5418 1.5418 1.5421 1.5421 1.5497 1.5497 1.5502 1.5502 5.7093 5.7093 5.7110 5.7110 5.7172 5.7172 5.7177 5.7177 7.2918 7.2918 7.2952 7.2952 7.3263 7.3263 7.3278 7.3278 7.7502 7.7502 7.7512 7.7512 7.7595 7.7595 7.7628 7.7628 8.9027 8.9027 8.9063 8.9063 8.9151 8.9151 8.9159 8.9159 9.1824 9.1824 9.1827 9.1827 9.1832 9.1832 9.1861 9.1861 9.3157 9.3157 9.3195 9.3195 9.3304 9.3304 9.3309 9.3309 9.9291 9.9291 9.9293 9.9293 9.9293 9.9293 9.9293 9.9293 10.5010 10.5010 10.5010 10.5010 10.5136 10.5136 10.5148 10.5148 11.7403 11.7404 11.7404 11.7414 k = 0.5000 0.2992 0.0240 ( 7620 PWs) bands (ev): 1.5419 1.5419 1.5425 1.5425 1.5498 1.5498 1.5506 1.5506 5.7050 5.7050 5.7084 5.7084 5.7134 5.7134 5.7144 5.7144 7.2938 7.2938 7.3005 7.3005 7.3291 7.3291 7.3321 7.3321 7.7496 7.7496 7.7517 7.7517 7.7580 7.7580 7.7645 7.7645 8.9011 8.9011 8.9080 8.9080 8.9146 8.9146 8.9162 8.9162 9.1784 9.1784 9.1802 9.1802 9.1809 9.1809 9.1854 9.1854 9.3190 9.3190 9.3263 9.3263 9.3352 9.3352 9.3359 9.3359 9.9288 9.9288 9.9290 9.9290 9.9291 9.9291 9.9293 9.9293 10.5030 10.5030 10.5030 10.5030 10.5148 10.5148 10.5172 10.5172 11.7370 11.7371 11.7373 11.7375 k = 0.5000 0.2992 0.0360 ( 7628 PWs) bands (ev): 1.5423 1.5423 1.5432 1.5432 1.5500 1.5500 1.5512 1.5512 5.6984 5.6984 5.7035 5.7035 5.7073 5.7073 5.7089 5.7089 7.2981 7.2981 7.3081 7.3081 7.3341 7.3341 7.3385 7.3385 7.7491 7.7491 7.7521 7.7521 7.7566 7.7566 7.7663 7.7663 8.8996 8.8996 8.9097 8.9097 8.9141 8.9141 8.9164 8.9164 9.1735 9.1735 9.1766 9.1766 9.1769 9.1769 9.1831 9.1831 9.3255 9.3255 9.3357 9.3357 9.3432 9.3432 9.3436 9.3436 9.9285 9.9285 9.9285 9.9285 9.9286 9.9286 9.9292 9.9292 10.5062 10.5062 10.5063 10.5063 10.5171 10.5171 10.5208 10.5208 11.7317 11.7317 11.7321 11.7321 k = 0.5000 0.2992 0.0479 ( 7628 PWs) bands (ev): 1.5428 1.5428 1.5440 1.5440 1.5503 1.5503 1.5520 1.5520 5.6899 5.6899 5.6965 5.6965 5.6992 5.6992 5.7013 5.7013 7.3044 7.3044 7.3177 7.3177 7.3412 7.3412 7.3468 7.3468 7.7487 7.7487 7.7526 7.7526 7.7553 7.7553 7.7682 7.7682 8.8984 8.8984 8.9113 8.9113 8.9135 8.9135 8.9167 8.9167 9.1681 9.1681 9.1719 9.1719 9.1725 9.1725 9.1795 9.1795 9.3347 9.3347 9.3472 9.3472 9.3534 9.3534 9.3537 9.3537 9.9279 9.9279 9.9279 9.9279 9.9280 9.9280 9.9289 9.9289 10.5106 10.5106 10.5108 10.5108 10.5206 10.5206 10.5254 10.5254 11.7243 11.7244 11.7249 11.7250 k = 0.5000 0.2992 0.0599 ( 7636 PWs) bands (ev): 1.5435 1.5435 1.5451 1.5451 1.5508 1.5508 1.5529 1.5529 5.6795 5.6795 5.6876 5.6876 5.6892 5.6892 5.6919 5.6919 7.3127 7.3127 7.3290 7.3290 7.3501 7.3501 7.3568 7.3568 7.7485 7.7485 7.7531 7.7531 7.7543 7.7543 7.7703 7.7703 8.8974 8.8974 8.9128 8.9128 8.9129 8.9129 8.9169 8.9169 9.1626 9.1626 9.1662 9.1662 9.1681 9.1681 9.1750 9.1750 9.3460 9.3460 9.3602 9.3602 9.3650 9.3650 9.3664 9.3664 9.9270 9.9270 9.9272 9.9272 9.9276 9.9276 9.9287 9.9287 10.5161 10.5161 10.5166 10.5166 10.5252 10.5252 10.5311 10.5311 11.7150 11.7152 11.7158 11.7163 k = 0.5000 0.2992 0.0719 ( 7628 PWs) bands (ev): 1.5444 1.5444 1.5462 1.5462 1.5515 1.5515 1.5539 1.5539 5.6677 5.6677 5.6771 5.6771 5.6776 5.6776 5.6809 5.6809 7.3224 7.3224 7.3417 7.3417 7.3604 7.3604 7.3680 7.3680 7.7487 7.7487 7.7535 7.7535 7.7538 7.7538 7.7725 7.7725 8.8969 8.8969 8.9124 8.9124 8.9143 8.9143 8.9172 8.9172 9.1572 9.1572 9.1601 9.1601 9.1638 9.1638 9.1699 9.1699 9.3591 9.3591 9.3744 9.3744 9.3779 9.3779 9.3807 9.3807 9.9260 9.9260 9.9264 9.9264 9.9271 9.9271 9.9283 9.9283 10.5226 10.5226 10.5235 10.5235 10.5308 10.5308 10.5378 10.5378 11.7040 11.7041 11.7050 11.7052 k = 0.5000 0.2992 0.0839 ( 7624 PWs) bands (ev): 1.5455 1.5455 1.5476 1.5476 1.5522 1.5522 1.5550 1.5550 5.6547 5.6547 5.6646 5.6646 5.6652 5.6652 5.6686 5.6686 7.3334 7.3334 7.3554 7.3554 7.3718 7.3718 7.3800 7.3800 7.7492 7.7492 7.7531 7.7531 7.7546 7.7546 7.7750 7.7750 8.8968 8.8968 8.9120 8.9120 8.9156 8.9156 8.9176 8.9176 9.1521 9.1521 9.1539 9.1539 9.1596 9.1596 9.1643 9.1643 9.3734 9.3734 9.3895 9.3895 9.3919 9.3919 9.3962 9.3962 9.9249 9.9249 9.9256 9.9256 9.9266 9.9266 9.9279 9.9279 10.5302 10.5302 10.5315 10.5315 10.5373 10.5373 10.5454 10.5454 11.6914 11.6915 11.6926 11.6927 k = 0.5000 0.2992 0.0959 ( 7628 PWs) bands (ev): 1.5466 1.5466 1.5490 1.5490 1.5531 1.5531 1.5562 1.5562 5.6407 5.6407 5.6507 5.6507 5.6524 5.6524 5.6553 5.6553 7.3452 7.3452 7.3697 7.3697 7.3840 7.3840 7.3924 7.3924 7.7503 7.7503 7.7531 7.7531 7.7557 7.7557 7.7777 7.7777 8.8971 8.8971 8.9118 8.9118 8.9169 8.9169 8.9181 8.9181 9.1473 9.1473 9.1478 9.1478 9.1556 9.1556 9.1586 9.1586 9.3886 9.3886 9.4051 9.4051 9.4066 9.4066 9.4124 9.4124 9.9238 9.9238 9.9248 9.9248 9.9262 9.9262 9.9275 9.9275 10.5385 10.5385 10.5404 10.5404 10.5446 10.5446 10.5538 10.5538 11.6773 11.6774 11.6788 11.6789 k = 0.5000 0.2992 0.1079 ( 7632 PWs) bands (ev): 1.5479 1.5479 1.5505 1.5505 1.5540 1.5540 1.5574 1.5574 5.6262 5.6262 5.6361 5.6361 5.6388 5.6388 5.6414 5.6414 7.3574 7.3574 7.3842 7.3842 7.3964 7.3964 7.4048 7.4048 7.7521 7.7521 7.7537 7.7537 7.7571 7.7571 7.7807 7.7807 8.8978 8.8978 8.9117 8.9117 8.9181 8.9181 8.9188 8.9188 9.1418 9.1418 9.1429 9.1429 9.1518 9.1518 9.1528 9.1528 9.4044 9.4044 9.4209 9.4209 9.4217 9.4217 9.4290 9.4290 9.9226 9.9226 9.9241 9.9241 9.9257 9.9257 9.9271 9.9271 10.5475 10.5475 10.5502 10.5502 10.5527 10.5527 10.5628 10.5628 11.6621 11.6622 11.6639 11.6644 k = 0.5000 0.2992 0.1199 ( 7632 PWs) bands (ev): 1.5492 1.5492 1.5521 1.5521 1.5550 1.5550 1.5587 1.5587 5.6115 5.6115 5.6211 5.6211 5.6248 5.6248 5.6271 5.6271 7.3698 7.3698 7.3984 7.3984 7.4088 7.4088 7.4167 7.4167 7.7546 7.7546 7.7547 7.7547 7.7589 7.7589 7.7840 7.7840 8.8991 8.8991 8.9118 8.9118 8.9193 8.9193 8.9196 8.9196 9.1362 9.1362 9.1389 9.1389 9.1470 9.1470 9.1484 9.1484 9.4205 9.4205 9.4367 9.4367 9.4370 9.4370 9.4456 9.4456 9.9214 9.9214 9.9234 9.9234 9.9254 9.9254 9.9266 9.9266 10.5570 10.5570 10.5606 10.5606 10.5614 10.5614 10.5724 10.5724 11.6459 11.6460 11.6481 11.6485 k = 0.5000 0.2992 0.1318 ( 7620 PWs) bands (ev): 1.5506 1.5506 1.5538 1.5538 1.5559 1.5559 1.5599 1.5599 5.5968 5.5968 5.6060 5.6060 5.6108 5.6108 5.6127 5.6127 7.3820 7.3820 7.4122 7.4122 7.4208 7.4208 7.4278 7.4278 7.7564 7.7564 7.7579 7.7579 7.7611 7.7611 7.7875 7.7875 8.9007 8.9007 8.9121 8.9121 8.9204 8.9204 8.9205 8.9205 9.1308 9.1308 9.1355 9.1355 9.1413 9.1413 9.1452 9.1452 9.4366 9.4366 9.4523 9.4523 9.4523 9.4523 9.4620 9.4620 9.9202 9.9202 9.9229 9.9229 9.9251 9.9251 9.9262 9.9262 10.5669 10.5669 10.5704 10.5704 10.5715 10.5715 10.5823 10.5823 11.6291 11.6292 11.6317 11.6328 k = 0.5000 0.2992 0.1438 ( 7616 PWs) bands (ev): 1.5520 1.5520 1.5555 1.5555 1.5569 1.5569 1.5612 1.5612 5.5825 5.5825 5.5912 5.5912 5.5970 5.5970 5.5986 5.5986 7.3937 7.3937 7.4251 7.4251 7.4321 7.4321 7.4378 7.4378 7.7587 7.7587 7.7620 7.7620 7.7637 7.7637 7.7912 7.7912 8.9028 8.9028 8.9126 8.9126 8.9215 8.9215 8.9216 8.9216 9.1258 9.1258 9.1324 9.1324 9.1358 9.1358 9.1423 9.1423 9.4526 9.4526 9.4672 9.4672 9.4674 9.4674 9.4778 9.4778 9.9192 9.9192 9.9224 9.9224 9.9249 9.9249 9.9257 9.9257 10.5770 10.5770 10.5798 10.5798 10.5827 10.5827 10.5925 10.5925 11.6120 11.6122 11.6149 11.6168 k = 0.5000 0.2992 0.1558 ( 7616 PWs) bands (ev): 1.5534 1.5534 1.5571 1.5571 1.5579 1.5579 1.5624 1.5624 5.5687 5.5687 5.5769 5.5769 5.5836 5.5836 5.5851 5.5851 7.4048 7.4048 7.4368 7.4368 7.4426 7.4426 7.4465 7.4465 7.7616 7.7616 7.7666 7.7666 7.7668 7.7668 7.7951 7.7951 8.9051 8.9051 8.9133 8.9133 8.9224 8.9224 8.9227 8.9227 9.1212 9.1212 9.1299 9.1299 9.1305 9.1305 9.1396 9.1396 9.4681 9.4681 9.4816 9.4816 9.4819 9.4819 9.4929 9.4929 9.9182 9.9182 9.9222 9.9222 9.9248 9.9248 9.9252 9.9252 10.5870 10.5870 10.5892 10.5892 10.5939 10.5939 10.6027 10.6027 11.5950 11.5950 11.5983 11.5986 k = 0.5000 0.2992 0.1678 ( 7624 PWs) bands (ev): 1.5548 1.5548 1.5587 1.5587 1.5588 1.5588 1.5635 1.5635 5.5558 5.5558 5.5633 5.5633 5.5710 5.5710 5.5722 5.5722 7.4152 7.4152 7.4474 7.4474 7.4519 7.4519 7.4538 7.4538 7.7649 7.7649 7.7699 7.7699 7.7722 7.7722 7.7989 7.7989 8.9077 8.9077 8.9142 8.9142 8.9232 8.9232 8.9238 8.9238 9.1170 9.1170 9.1255 9.1255 9.1277 9.1277 9.1371 9.1371 9.4830 9.4830 9.4951 9.4951 9.4955 9.4955 9.5068 9.5068 9.9175 9.9175 9.9220 9.9220 9.9247 9.9247 9.9247 9.9247 10.5968 10.5968 10.5984 10.5984 10.6051 10.6051 10.6126 10.6126 11.5783 11.5785 11.5820 11.5825 k = 0.5000 0.2992 0.1798 ( 7636 PWs) bands (ev): 1.5561 1.5561 1.5596 1.5596 1.5602 1.5602 1.5645 1.5645 5.5440 5.5440 5.5507 5.5507 5.5593 5.5593 5.5604 5.5604 7.4246 7.4246 7.4565 7.4565 7.4596 7.4596 7.4601 7.4601 7.7685 7.7685 7.7732 7.7732 7.7781 7.7781 7.8025 7.8025 8.9104 8.9104 8.9152 8.9152 8.9239 8.9239 8.9249 8.9249 9.1133 9.1133 9.1208 9.1208 9.1260 9.1260 9.1348 9.1348 9.4971 9.4971 9.5076 9.5076 9.5079 9.5079 9.5194 9.5194 9.9169 9.9169 9.9221 9.9221 9.9242 9.9242 9.9247 9.9247 10.6062 10.6062 10.6073 10.6073 10.6158 10.6158 10.6222 10.6222 11.5624 11.5624 11.5664 11.5664 k = 0.5000 0.2992 0.1918 ( 7644 PWs) bands (ev): 1.5573 1.5573 1.5604 1.5604 1.5617 1.5617 1.5654 1.5654 5.5334 5.5334 5.5394 5.5394 5.5488 5.5488 5.5497 5.5497 7.4332 7.4332 7.4640 7.4640 7.4643 7.4643 7.4670 7.4670 7.7723 7.7723 7.7766 7.7766 7.7841 7.7841 7.8059 7.8059 8.9132 8.9132 8.9163 8.9163 8.9244 8.9244 8.9258 8.9258 9.1101 9.1101 9.1165 9.1165 9.1247 9.1247 9.1328 9.1328 9.5100 9.5100 9.5189 9.5189 9.5192 9.5192 9.5304 9.5304 9.9166 9.9166 9.9222 9.9222 9.9236 9.9236 9.9248 9.9248 10.6149 10.6149 10.6156 10.6156 10.6258 10.6258 10.6311 10.6311 11.5477 11.5477 11.5521 11.5521 k = 0.5000 0.2992 0.2038 ( 7644 PWs) bands (ev): 1.5584 1.5584 1.5610 1.5610 1.5630 1.5630 1.5661 1.5661 5.5243 5.5243 5.5293 5.5293 5.5397 5.5397 5.5404 5.5404 7.4407 7.4407 7.4670 7.4670 7.4707 7.4707 7.4728 7.4728 7.7761 7.7761 7.7798 7.7798 7.7900 7.7900 7.8088 7.8088 8.9159 8.9159 8.9175 8.9175 8.9247 8.9247 8.9267 8.9267 9.1073 9.1073 9.1128 9.1128 9.1238 9.1238 9.1309 9.1309 9.5218 9.5218 9.5288 9.5288 9.5290 9.5290 9.5397 9.5397 9.9165 9.9165 9.9225 9.9225 9.9230 9.9230 9.9248 9.9248 10.6228 10.6228 10.6231 10.6231 10.6349 10.6349 10.6392 10.6392 11.5347 11.5347 11.5393 11.5393 k = 0.5000 0.2992 0.2158 ( 7624 PWs) bands (ev): 1.5594 1.5594 1.5615 1.5615 1.5641 1.5641 1.5667 1.5667 5.5168 5.5168 5.5208 5.5208 5.5320 5.5320 5.5326 5.5326 7.4474 7.4474 7.4687 7.4687 7.4759 7.4759 7.4774 7.4774 7.7796 7.7796 7.7827 7.7827 7.7957 7.7957 7.8110 7.8110 8.9186 8.9186 8.9188 8.9188 8.9249 8.9249 8.9272 8.9272 9.1051 9.1051 9.1095 9.1095 9.1232 9.1232 9.1292 9.1292 9.5321 9.5321 9.5371 9.5371 9.5372 9.5372 9.5471 9.5471 9.9167 9.9167 9.9223 9.9223 9.9229 9.9229 9.9249 9.9249 10.6295 10.6295 10.6297 10.6297 10.6429 10.6429 10.6462 10.6462 11.5236 11.5236 11.5284 11.5294 k = 0.5000 0.2992 0.2277 ( 7632 PWs) bands (ev): 1.5603 1.5603 1.5618 1.5618 1.5651 1.5651 1.5670 1.5670 5.5109 5.5109 5.5140 5.5140 5.5259 5.5259 5.5263 5.5263 7.4532 7.4532 7.4693 7.4693 7.4798 7.4798 7.4808 7.4808 7.7826 7.7826 7.7850 7.7850 7.8008 7.8008 7.8125 7.8125 8.9200 8.9200 8.9209 8.9209 8.9247 8.9247 8.9275 8.9275 9.1035 9.1035 9.1068 9.1068 9.1231 9.1231 9.1277 9.1277 9.5409 9.5409 9.5437 9.5437 9.5438 9.5438 9.5525 9.5525 9.9171 9.9171 9.9216 9.9216 9.9233 9.9233 9.9249 9.9249 10.6350 10.6350 10.6350 10.6350 10.6494 10.6494 10.6518 10.6518 11.5148 11.5148 11.5196 11.5202 k = 0.5000 0.2992 0.2397 ( 7632 PWs) bands (ev): 1.5610 1.5610 1.5620 1.5620 1.5659 1.5659 1.5672 1.5672 5.5068 5.5068 5.5088 5.5088 5.5215 5.5215 5.5218 5.5218 7.4580 7.4580 7.4689 7.4689 7.4825 7.4825 7.4832 7.4832 7.7851 7.7851 7.7867 7.7867 7.8052 7.8052 7.8131 7.8131 8.9211 8.9211 8.9230 8.9230 8.9244 8.9244 8.9274 8.9274 9.1025 9.1025 9.1046 9.1046 9.1232 9.1232 9.1264 9.1264 9.5478 9.5478 9.5485 9.5485 9.5486 9.5486 9.5558 9.5558 9.9176 9.9176 9.9208 9.9208 9.9237 9.9237 9.9248 9.9248 10.6390 10.6390 10.6390 10.6390 10.6543 10.6543 10.6558 10.6558 11.5086 11.5086 11.5124 11.5131 k = 0.5000 0.2992 0.2517 ( 7612 PWs) bands (ev): 1.5615 1.5615 1.5620 1.5620 1.5666 1.5666 1.5672 1.5672 5.5045 5.5045 5.5055 5.5055 5.5189 5.5189 5.5190 5.5190 7.4620 7.4620 7.4675 7.4675 7.4842 7.4842 7.4846 7.4846 7.7867 7.7867 7.7876 7.7876 7.8087 7.8087 7.8127 7.8127 8.9222 8.9222 8.9239 8.9239 8.9248 8.9248 8.9270 8.9270 9.1021 9.1021 9.1031 9.1031 9.1236 9.1236 9.1252 9.1252 9.5515 9.5515 9.5515 9.5515 9.5529 9.5529 9.5570 9.5570 9.9183 9.9183 9.9200 9.9200 9.9241 9.9241 9.9247 9.9247 10.6414 10.6414 10.6415 10.6415 10.6575 10.6575 10.6582 10.6582 11.5052 11.5052 11.5070 11.5071 k = 0.5000 0.2992 0.2637 ( 7600 PWs) bands (ev): 1.5618 1.5618 1.5618 1.5618 1.5670 1.5670 1.5670 1.5670 5.5041 5.5041 5.5041 5.5041 5.5180 5.5180 5.5180 5.5180 7.4652 7.4652 7.4652 7.4652 7.4849 7.4849 7.4849 7.4849 7.7876 7.7876 7.7876 7.7876 7.8112 7.8112 7.8112 7.8112 8.9231 8.9231 8.9231 8.9231 8.9261 8.9261 8.9261 8.9261 9.1023 9.1023 9.1023 9.1023 9.1243 9.1243 9.1243 9.1243 9.5524 9.5524 9.5524 9.5524 9.5560 9.5560 9.5560 9.5560 9.9191 9.9191 9.9191 9.9191 9.9245 9.9245 9.9245 9.9245 10.6423 10.6423 10.6423 10.6423 10.6588 10.6588 10.6588 10.6588 11.5046 11.5046 11.5046 11.5046 Writing output data file ZrFeGe.save init_run : 0.25s CPU 0.39s WALL ( 1 calls) electrons : 724.06s CPU 731.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 724.04s CPU 731.47s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.21s WALL ( 364 calls) cegterg : 662.99s CPU 668.99s WALL ( 1020 calls) Called by sum_band: Called by *egterg: h_psi : 326.89s CPU 331.42s WALL ( 17525 calls) s_psi : 83.44s CPU 82.98s WALL ( 17525 calls) g_psi : 1.30s CPU 1.22s WALL ( 16141 calls) cdiaghg : 200.07s CPU 202.49s WALL ( 16505 calls) cegterg:over : 36.62s CPU 36.62s WALL ( 16141 calls) cegterg:upda : 33.20s CPU 33.38s WALL ( 16141 calls) cegterg:last : 18.20s CPU 18.13s WALL ( 2476 calls) cdiaghg:chol : 11.47s CPU 11.80s WALL ( 16505 calls) cdiaghg:inve : 8.43s CPU 8.42s WALL ( 16505 calls) cdiaghg:para : 13.80s CPU 14.47s WALL ( 33010 calls) Called by h_psi: h_psi:vloc : 250.71s CPU 254.53s WALL ( 17525 calls) h_psi:vnl : 74.64s CPU 75.38s WALL ( 17525 calls) add_vuspsi : 38.54s CPU 39.04s WALL ( 17525 calls) General routines calbec : 35.95s CPU 36.28s WALL ( 17525 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 236.06s CPU 239.91s WALL ( 2294344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.38s CPU 0.54s WALL ( 728 calls) Parallel routines fft_scatter : 84.74s CPU 86.25s WALL ( 2294367 calls) PWSCF : 12m38.92s CPU 13m 2.73s WALL This run was terminated on: 18:22:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=