Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:24:29 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: ./ZrFeSi.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 47 39 11 2107 1611 251 Max 48 40 12 2112 1636 256 Sum 1699 1423 411 75901 58407 9123 bravais-lattice index = 14 lattice parameter (alat) = 7.4361 a.u. unit-cell volume = 1224.4260 (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)= 7.436072 celldm(2)= 1.627700 celldm(3)= 1.829479 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 1.627700 0.000000 ) a(3) = ( 0.000000 0.000000 1.829479 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.614364 -0.000000 ) b(3) = ( 0.000000 0.000000 0.546604 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Fe 8.00 55.84500 Fe( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.8138501 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9147395 ) 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 ) ( -0.8138501 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.9147395 ) 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 ) ( -0.8138501 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.9147395 ) 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 ) ( 0.8138501 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9147395 ) 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= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 0.0122873 -0.0000000), wk = 0.0027778 k( 44) = ( 0.5000000 0.0245746 -0.0000000), wk = 0.0027778 k( 45) = ( 0.5000000 0.0368618 -0.0000000), wk = 0.0027778 k( 46) = ( 0.5000000 0.0491491 -0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.0614364 -0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.0737237 -0.0000000), wk = 0.0027778 k( 49) = ( 0.5000000 0.0860109 -0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.0982982 -0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.1105855 -0.0000000), wk = 0.0027778 k( 52) = ( 0.5000000 0.1228728 -0.0000000), wk = 0.0027778 k( 53) = ( 0.5000000 0.1351600 -0.0000000), wk = 0.0027778 k( 54) = ( 0.5000000 0.1474473 -0.0000000), wk = 0.0027778 k( 55) = ( 0.5000000 0.1597346 -0.0000000), wk = 0.0027778 k( 56) = ( 0.5000000 0.1720219 -0.0000000), wk = 0.0027778 k( 57) = ( 0.5000000 0.1843091 -0.0000000), wk = 0.0027778 k( 58) = ( 0.5000000 0.1965964 -0.0000000), wk = 0.0027778 k( 59) = ( 0.5000000 0.2088837 -0.0000000), wk = 0.0027778 k( 60) = ( 0.5000000 0.2211710 -0.0000000), wk = 0.0027778 k( 61) = ( 0.5000000 0.2334582 -0.0000000), wk = 0.0027778 k( 62) = ( 0.5000000 0.2457455 -0.0000000), wk = 0.0027778 k( 63) = ( 0.5000000 0.2580328 -0.0000000), wk = 0.0027778 k( 64) = ( 0.5000000 0.2703201 -0.0000000), wk = 0.0027778 k( 65) = ( 0.5000000 0.2826073 -0.0000000), wk = 0.0027778 k( 66) = ( 0.5000000 0.2948946 -0.0000000), wk = 0.0027778 k( 67) = ( 0.5000000 0.3071819 -0.0000000), wk = 0.0027778 k( 68) = ( 0.5000000 0.3071819 -0.0000000), wk = 0.0027778 k( 69) = ( 0.4875000 0.3071819 -0.0000000), wk = 0.0027778 k( 70) = ( 0.4750000 0.3071819 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4625000 0.3071819 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4500000 0.3071819 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4375000 0.3071819 -0.0000000), wk = 0.0027778 k( 74) = ( 0.4250000 0.3071819 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4125000 0.3071819 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4000000 0.3071819 -0.0000000), wk = 0.0027778 k( 77) = ( 0.3875000 0.3071819 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3750000 0.3071819 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3625000 0.3071819 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3500000 0.3071819 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3375000 0.3071819 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3250000 0.3071819 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3125000 0.3071819 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3000000 0.3071819 -0.0000000), wk = 0.0027778 k( 85) = ( 0.2875000 0.3071819 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2750000 0.3071819 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2625000 0.3071819 -0.0000000), wk = 0.0027778 k( 88) = ( 0.2500000 0.3071819 -0.0000000), wk = 0.0027778 k( 89) = ( 0.2375000 0.3071819 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2250000 0.3071819 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2125000 0.3071819 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2000000 0.3071819 -0.0000000), wk = 0.0027778 k( 93) = ( 0.1875000 0.3071819 -0.0000000), wk = 0.0027778 k( 94) = ( 0.1750000 0.3071819 -0.0000000), wk = 0.0027778 k( 95) = ( 0.1625000 0.3071819 -0.0000000), wk = 0.0027778 k( 96) = ( 0.1500000 0.3071819 -0.0000000), wk = 0.0027778 k( 97) = ( 0.1375000 0.3071819 -0.0000000), wk = 0.0027778 k( 98) = ( 0.1250000 0.3071819 -0.0000000), wk = 0.0027778 k( 99) = ( 0.1125000 0.3071819 -0.0000000), wk = 0.0027778 k( 100) = ( 0.1000000 0.3071819 -0.0000000), wk = 0.0027778 k( 101) = ( 0.0875000 0.3071819 -0.0000000), wk = 0.0027778 k( 102) = ( 0.0750000 0.3071819 -0.0000000), wk = 0.0027778 k( 103) = ( 0.0625000 0.3071819 -0.0000000), wk = 0.0027778 k( 104) = ( 0.0500000 0.3071819 -0.0000000), wk = 0.0027778 k( 105) = ( 0.0375000 0.3071819 -0.0000000), wk = 0.0027778 k( 106) = ( 0.0250000 0.3071819 -0.0000000), wk = 0.0027778 k( 107) = ( 0.0125000 0.3071819 -0.0000000), wk = 0.0027778 k( 108) = ( 0.0000000 0.3071819 -0.0000000), wk = 0.0027778 k( 109) = ( 0.0000000 0.3071819 -0.0000000), wk = 0.0027778 k( 110) = ( 0.0000000 0.2948946 -0.0000000), wk = 0.0027778 k( 111) = ( 0.0000000 0.2826073 -0.0000000), wk = 0.0027778 k( 112) = ( 0.0000000 0.2703201 -0.0000000), wk = 0.0027778 k( 113) = ( 0.0000000 0.2580328 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0000000 0.2457455 -0.0000000), wk = 0.0027778 k( 115) = ( 0.0000000 0.2334582 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0000000 0.2211710 -0.0000000), wk = 0.0027778 k( 117) = ( 0.0000000 0.2088837 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0000000 0.1965964 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0000000 0.1843091 -0.0000000), wk = 0.0027778 k( 120) = ( 0.0000000 0.1720219 -0.0000000), wk = 0.0027778 k( 121) = ( 0.0000000 0.1597346 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0000000 0.1474473 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0000000 0.1351600 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0000000 0.1228728 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0000000 0.1105855 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0000000 0.0982982 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0000000 0.0860109 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0000000 0.0737237 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.0614364 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0491491 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0368618 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0245746 -0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0122873 -0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0124228), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0248456), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0372684), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0496912), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0621141), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.0745369), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.0869597), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.0993825), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.1118053), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1242281), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.1366509), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.1490737), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.1614965), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.1739194), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.1863422), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.1987650), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.2111878), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.2236106), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.2360334), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.2484562), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.2608790), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.2733018), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.2733018), wk = 0.0027778 k( 159) = ( 0.0125000 -0.0000000 0.2733018), wk = 0.0027778 k( 160) = ( 0.0250000 -0.0000000 0.2733018), wk = 0.0027778 k( 161) = ( 0.0375000 -0.0000000 0.2733018), wk = 0.0027778 k( 162) = ( 0.0500000 -0.0000000 0.2733018), wk = 0.0027778 k( 163) = ( 0.0625000 -0.0000000 0.2733018), wk = 0.0027778 k( 164) = ( 0.0750000 -0.0000000 0.2733018), wk = 0.0027778 k( 165) = ( 0.0875000 -0.0000000 0.2733018), wk = 0.0027778 k( 166) = ( 0.1000000 -0.0000000 0.2733018), wk = 0.0027778 k( 167) = ( 0.1125000 -0.0000000 0.2733018), wk = 0.0027778 k( 168) = ( 0.1250000 -0.0000000 0.2733018), wk = 0.0027778 k( 169) = ( 0.1375000 -0.0000000 0.2733018), wk = 0.0027778 k( 170) = ( 0.1500000 -0.0000000 0.2733018), wk = 0.0027778 k( 171) = ( 0.1625000 -0.0000000 0.2733018), wk = 0.0027778 k( 172) = ( 0.1750000 -0.0000000 0.2733018), wk = 0.0027778 k( 173) = ( 0.1875000 -0.0000000 0.2733018), wk = 0.0027778 k( 174) = ( 0.2000000 -0.0000000 0.2733018), wk = 0.0027778 k( 175) = ( 0.2125000 -0.0000000 0.2733018), wk = 0.0027778 k( 176) = ( 0.2250000 -0.0000000 0.2733018), wk = 0.0027778 k( 177) = ( 0.2375000 -0.0000000 0.2733018), wk = 0.0027778 k( 178) = ( 0.2500000 -0.0000000 0.2733018), wk = 0.0027778 k( 179) = ( 0.2625000 -0.0000000 0.2733018), wk = 0.0027778 k( 180) = ( 0.2750000 -0.0000000 0.2733018), wk = 0.0027778 k( 181) = ( 0.2875000 -0.0000000 0.2733018), wk = 0.0027778 k( 182) = ( 0.3000000 -0.0000000 0.2733018), wk = 0.0027778 k( 183) = ( 0.3125000 -0.0000000 0.2733018), wk = 0.0027778 k( 184) = ( 0.3250000 -0.0000000 0.2733018), wk = 0.0027778 k( 185) = ( 0.3375000 -0.0000000 0.2733018), wk = 0.0027778 k( 186) = ( 0.3500000 -0.0000000 0.2733018), wk = 0.0027778 k( 187) = ( 0.3625000 -0.0000000 0.2733018), wk = 0.0027778 k( 188) = ( 0.3750000 -0.0000000 0.2733018), wk = 0.0027778 k( 189) = ( 0.3875000 -0.0000000 0.2733018), wk = 0.0027778 k( 190) = ( 0.4000000 -0.0000000 0.2733018), wk = 0.0027778 k( 191) = ( 0.4125000 -0.0000000 0.2733018), wk = 0.0027778 k( 192) = ( 0.4250000 -0.0000000 0.2733018), wk = 0.0027778 k( 193) = ( 0.4375000 -0.0000000 0.2733018), wk = 0.0027778 k( 194) = ( 0.4500000 -0.0000000 0.2733018), wk = 0.0027778 k( 195) = ( 0.4625000 -0.0000000 0.2733018), wk = 0.0027778 k( 196) = ( 0.4750000 -0.0000000 0.2733018), wk = 0.0027778 k( 197) = ( 0.4875000 -0.0000000 0.2733018), wk = 0.0027778 k( 198) = ( 0.5000000 -0.0000000 0.2733018), wk = 0.0027778 k( 199) = ( 0.5000000 -0.0000000 0.2733018), wk = 0.0027778 k( 200) = ( 0.5000000 0.0122873 0.2733018), wk = 0.0027778 k( 201) = ( 0.5000000 0.0245746 0.2733018), wk = 0.0027778 k( 202) = ( 0.5000000 0.0368618 0.2733018), wk = 0.0027778 k( 203) = ( 0.5000000 0.0491491 0.2733018), wk = 0.0027778 k( 204) = ( 0.5000000 0.0614364 0.2733018), wk = 0.0027778 k( 205) = ( 0.5000000 0.0737237 0.2733018), wk = 0.0027778 k( 206) = ( 0.5000000 0.0860109 0.2733018), wk = 0.0027778 k( 207) = ( 0.5000000 0.0982982 0.2733018), wk = 0.0027778 k( 208) = ( 0.5000000 0.1105855 0.2733018), wk = 0.0027778 k( 209) = ( 0.5000000 0.1228728 0.2733018), wk = 0.0027778 k( 210) = ( 0.5000000 0.1351600 0.2733018), wk = 0.0027778 k( 211) = ( 0.5000000 0.1474473 0.2733018), wk = 0.0027778 k( 212) = ( 0.5000000 0.1597346 0.2733018), wk = 0.0027778 k( 213) = ( 0.5000000 0.1720219 0.2733018), wk = 0.0027778 k( 214) = ( 0.5000000 0.1843091 0.2733018), wk = 0.0027778 k( 215) = ( 0.5000000 0.1965964 0.2733018), wk = 0.0027778 k( 216) = ( 0.5000000 0.2088837 0.2733018), wk = 0.0027778 k( 217) = ( 0.5000000 0.2211710 0.2733018), wk = 0.0027778 k( 218) = ( 0.5000000 0.2334582 0.2733018), wk = 0.0027778 k( 219) = ( 0.5000000 0.2457455 0.2733018), wk = 0.0027778 k( 220) = ( 0.5000000 0.2580328 0.2733018), wk = 0.0027778 k( 221) = ( 0.5000000 0.2703201 0.2733018), wk = 0.0027778 k( 222) = ( 0.5000000 0.2826073 0.2733018), wk = 0.0027778 k( 223) = ( 0.5000000 0.2948946 0.2733018), wk = 0.0027778 k( 224) = ( 0.5000000 0.3071819 0.2733018), wk = 0.0027778 k( 225) = ( 0.5000000 0.3071819 0.2733018), wk = 0.0027778 k( 226) = ( 0.4875000 0.3071819 0.2733018), wk = 0.0027778 k( 227) = ( 0.4750000 0.3071819 0.2733018), wk = 0.0027778 k( 228) = ( 0.4625000 0.3071819 0.2733018), wk = 0.0027778 k( 229) = ( 0.4500000 0.3071819 0.2733018), wk = 0.0027778 k( 230) = ( 0.4375000 0.3071819 0.2733018), wk = 0.0027778 k( 231) = ( 0.4250000 0.3071819 0.2733018), wk = 0.0027778 k( 232) = ( 0.4125000 0.3071819 0.2733018), wk = 0.0027778 k( 233) = ( 0.4000000 0.3071819 0.2733018), wk = 0.0027778 k( 234) = ( 0.3875000 0.3071819 0.2733018), wk = 0.0027778 k( 235) = ( 0.3750000 0.3071819 0.2733018), wk = 0.0027778 k( 236) = ( 0.3625000 0.3071819 0.2733018), wk = 0.0027778 k( 237) = ( 0.3500000 0.3071819 0.2733018), wk = 0.0027778 k( 238) = ( 0.3375000 0.3071819 0.2733018), wk = 0.0027778 k( 239) = ( 0.3250000 0.3071819 0.2733018), wk = 0.0027778 k( 240) = ( 0.3125000 0.3071819 0.2733018), wk = 0.0027778 k( 241) = ( 0.3000000 0.3071819 0.2733018), wk = 0.0027778 k( 242) = ( 0.2875000 0.3071819 0.2733018), wk = 0.0027778 k( 243) = ( 0.2750000 0.3071819 0.2733018), wk = 0.0027778 k( 244) = ( 0.2625000 0.3071819 0.2733018), wk = 0.0027778 k( 245) = ( 0.2500000 0.3071819 0.2733018), wk = 0.0027778 k( 246) = ( 0.2375000 0.3071819 0.2733018), wk = 0.0027778 k( 247) = ( 0.2250000 0.3071819 0.2733018), wk = 0.0027778 k( 248) = ( 0.2125000 0.3071819 0.2733018), wk = 0.0027778 k( 249) = ( 0.2000000 0.3071819 0.2733018), wk = 0.0027778 k( 250) = ( 0.1875000 0.3071819 0.2733018), wk = 0.0027778 k( 251) = ( 0.1750000 0.3071819 0.2733018), wk = 0.0027778 k( 252) = ( 0.1625000 0.3071819 0.2733018), wk = 0.0027778 k( 253) = ( 0.1500000 0.3071819 0.2733018), wk = 0.0027778 k( 254) = ( 0.1375000 0.3071819 0.2733018), wk = 0.0027778 k( 255) = ( 0.1250000 0.3071819 0.2733018), wk = 0.0027778 k( 256) = ( 0.1125000 0.3071819 0.2733018), wk = 0.0027778 k( 257) = ( 0.1000000 0.3071819 0.2733018), wk = 0.0027778 k( 258) = ( 0.0875000 0.3071819 0.2733018), wk = 0.0027778 k( 259) = ( 0.0750000 0.3071819 0.2733018), wk = 0.0027778 k( 260) = ( 0.0625000 0.3071819 0.2733018), wk = 0.0027778 k( 261) = ( 0.0500000 0.3071819 0.2733018), wk = 0.0027778 k( 262) = ( 0.0375000 0.3071819 0.2733018), wk = 0.0027778 k( 263) = ( 0.0250000 0.3071819 0.2733018), wk = 0.0027778 k( 264) = ( 0.0125000 0.3071819 0.2733018), wk = 0.0027778 k( 265) = ( 0.0000000 0.3071819 0.2733018), wk = 0.0027778 k( 266) = ( 0.0000000 0.3071819 0.2733018), wk = 0.0027778 k( 267) = ( 0.0000000 0.2948946 0.2733018), wk = 0.0027778 k( 268) = ( 0.0000000 0.2826073 0.2733018), wk = 0.0027778 k( 269) = ( 0.0000000 0.2703201 0.2733018), wk = 0.0027778 k( 270) = ( 0.0000000 0.2580328 0.2733018), wk = 0.0027778 k( 271) = ( 0.0000000 0.2457455 0.2733018), wk = 0.0027778 k( 272) = ( 0.0000000 0.2334582 0.2733018), wk = 0.0027778 k( 273) = ( 0.0000000 0.2211710 0.2733018), wk = 0.0027778 k( 274) = ( 0.0000000 0.2088837 0.2733018), wk = 0.0027778 k( 275) = ( 0.0000000 0.1965964 0.2733018), wk = 0.0027778 k( 276) = ( 0.0000000 0.1843091 0.2733018), wk = 0.0027778 k( 277) = ( 0.0000000 0.1720219 0.2733018), wk = 0.0027778 k( 278) = ( 0.0000000 0.1597346 0.2733018), wk = 0.0027778 k( 279) = ( 0.0000000 0.1474473 0.2733018), wk = 0.0027778 k( 280) = ( 0.0000000 0.1351600 0.2733018), wk = 0.0027778 k( 281) = ( 0.0000000 0.1228728 0.2733018), wk = 0.0027778 k( 282) = ( 0.0000000 0.1105855 0.2733018), wk = 0.0027778 k( 283) = ( 0.0000000 0.0982982 0.2733018), wk = 0.0027778 k( 284) = ( 0.0000000 0.0860109 0.2733018), wk = 0.0027778 k( 285) = ( 0.0000000 0.0737237 0.2733018), wk = 0.0027778 k( 286) = ( 0.0000000 0.0614364 0.2733018), wk = 0.0027778 k( 287) = ( 0.0000000 0.0491491 0.2733018), wk = 0.0027778 k( 288) = ( 0.0000000 0.0368618 0.2733018), wk = 0.0027778 k( 289) = ( 0.0000000 0.0245746 0.2733018), wk = 0.0027778 k( 290) = ( 0.0000000 0.0122873 0.2733018), wk = 0.0027778 k( 291) = ( 0.0000000 0.0000000 0.2733018), wk = 0.0027778 k( 292) = ( 0.0000000 0.3071819 -0.0000000), wk = 0.0027778 k( 293) = ( 0.0000000 0.3071819 0.0124228), wk = 0.0027778 k( 294) = ( 0.0000000 0.3071819 0.0248456), wk = 0.0027778 k( 295) = ( 0.0000000 0.3071819 0.0372684), wk = 0.0027778 k( 296) = ( 0.0000000 0.3071819 0.0496912), wk = 0.0027778 k( 297) = ( 0.0000000 0.3071819 0.0621141), wk = 0.0027778 k( 298) = ( 0.0000000 0.3071819 0.0745369), wk = 0.0027778 k( 299) = ( 0.0000000 0.3071819 0.0869597), wk = 0.0027778 k( 300) = ( 0.0000000 0.3071819 0.0993825), wk = 0.0027778 k( 301) = ( 0.0000000 0.3071819 0.1118053), wk = 0.0027778 k( 302) = ( 0.0000000 0.3071819 0.1242281), wk = 0.0027778 k( 303) = ( 0.0000000 0.3071819 0.1366509), wk = 0.0027778 k( 304) = ( 0.0000000 0.3071819 0.1490737), wk = 0.0027778 k( 305) = ( 0.0000000 0.3071819 0.1614965), wk = 0.0027778 k( 306) = ( 0.0000000 0.3071819 0.1739194), wk = 0.0027778 k( 307) = ( 0.0000000 0.3071819 0.1863422), wk = 0.0027778 k( 308) = ( 0.0000000 0.3071819 0.1987650), wk = 0.0027778 k( 309) = ( 0.0000000 0.3071819 0.2111878), wk = 0.0027778 k( 310) = ( 0.0000000 0.3071819 0.2236106), wk = 0.0027778 k( 311) = ( 0.0000000 0.3071819 0.2360334), wk = 0.0027778 k( 312) = ( 0.0000000 0.3071819 0.2484562), wk = 0.0027778 k( 313) = ( 0.0000000 0.3071819 0.2608790), wk = 0.0027778 k( 314) = ( 0.0000000 0.3071819 0.2733018), wk = 0.0027778 k( 315) = ( 0.5000000 -0.0000000 0.2733018), wk = 0.0027778 k( 316) = ( 0.5000000 -0.0000000 0.2608790), wk = 0.0027778 k( 317) = ( 0.5000000 -0.0000000 0.2484562), wk = 0.0027778 k( 318) = ( 0.5000000 -0.0000000 0.2360334), wk = 0.0027778 k( 319) = ( 0.5000000 -0.0000000 0.2236106), wk = 0.0027778 k( 320) = ( 0.5000000 -0.0000000 0.2111878), wk = 0.0027778 k( 321) = ( 0.5000000 -0.0000000 0.1987650), wk = 0.0027778 k( 322) = ( 0.5000000 -0.0000000 0.1863422), wk = 0.0027778 k( 323) = ( 0.5000000 -0.0000000 0.1739194), wk = 0.0027778 k( 324) = ( 0.5000000 -0.0000000 0.1614965), wk = 0.0027778 k( 325) = ( 0.5000000 -0.0000000 0.1490737), wk = 0.0027778 k( 326) = ( 0.5000000 -0.0000000 0.1366509), wk = 0.0027778 k( 327) = ( 0.5000000 -0.0000000 0.1242281), wk = 0.0027778 k( 328) = ( 0.5000000 -0.0000000 0.1118053), wk = 0.0027778 k( 329) = ( 0.5000000 -0.0000000 0.0993825), wk = 0.0027778 k( 330) = ( 0.5000000 -0.0000000 0.0869597), wk = 0.0027778 k( 331) = ( 0.5000000 -0.0000000 0.0745369), wk = 0.0027778 k( 332) = ( 0.5000000 -0.0000000 0.0621141), wk = 0.0027778 k( 333) = ( 0.5000000 -0.0000000 0.0496912), wk = 0.0027778 k( 334) = ( 0.5000000 -0.0000000 0.0372684), wk = 0.0027778 k( 335) = ( 0.5000000 -0.0000000 0.0248456), wk = 0.0027778 k( 336) = ( 0.5000000 -0.0000000 0.0124228), wk = 0.0027778 k( 337) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 338) = ( 0.5000000 0.3071819 -0.0000000), wk = 0.0027778 k( 339) = ( 0.5000000 0.3071819 0.0124228), wk = 0.0027778 k( 340) = ( 0.5000000 0.3071819 0.0248456), wk = 0.0027778 k( 341) = ( 0.5000000 0.3071819 0.0372684), wk = 0.0027778 k( 342) = ( 0.5000000 0.3071819 0.0496912), wk = 0.0027778 k( 343) = ( 0.5000000 0.3071819 0.0621141), wk = 0.0027778 k( 344) = ( 0.5000000 0.3071819 0.0745369), wk = 0.0027778 k( 345) = ( 0.5000000 0.3071819 0.0869597), wk = 0.0027778 k( 346) = ( 0.5000000 0.3071819 0.0993825), wk = 0.0027778 k( 347) = ( 0.5000000 0.3071819 0.1118053), wk = 0.0027778 k( 348) = ( 0.5000000 0.3071819 0.1242281), wk = 0.0027778 k( 349) = ( 0.5000000 0.3071819 0.1366509), wk = 0.0027778 k( 350) = ( 0.5000000 0.3071819 0.1490737), wk = 0.0027778 k( 351) = ( 0.5000000 0.3071819 0.1614965), wk = 0.0027778 k( 352) = ( 0.5000000 0.3071819 0.1739194), wk = 0.0027778 k( 353) = ( 0.5000000 0.3071819 0.1863422), wk = 0.0027778 k( 354) = ( 0.5000000 0.3071819 0.1987650), wk = 0.0027778 k( 355) = ( 0.5000000 0.3071819 0.2111878), wk = 0.0027778 k( 356) = ( 0.5000000 0.3071819 0.2236106), wk = 0.0027778 k( 357) = ( 0.5000000 0.3071819 0.2360334), wk = 0.0027778 k( 358) = ( 0.5000000 0.3071819 0.2484562), wk = 0.0027778 k( 359) = ( 0.5000000 0.3071819 0.2608790), wk = 0.0027778 k( 360) = ( 0.5000000 0.3071819 0.2733018), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0027778 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0027778 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0027778 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 20) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0027778 k( 26) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0027778 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0027778 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0027778 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 35) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0027778 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0027778 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 0.0200000 -0.0000000), wk = 0.0027778 k( 44) = ( 0.5000000 0.0400000 -0.0000000), wk = 0.0027778 k( 45) = ( 0.5000000 0.0600000 -0.0000000), wk = 0.0027778 k( 46) = ( 0.5000000 0.0800000 -0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.1200000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.5000000 0.1400000 -0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.1600000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.1800000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0027778 k( 53) = ( 0.5000000 0.2200000 -0.0000000), wk = 0.0027778 k( 54) = ( 0.5000000 0.2400000 0.0000000), wk = 0.0027778 k( 55) = ( 0.5000000 0.2600000 -0.0000000), wk = 0.0027778 k( 56) = ( 0.5000000 0.2800000 -0.0000000), wk = 0.0027778 k( 57) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0027778 k( 58) = ( 0.5000000 0.3200000 -0.0000000), wk = 0.0027778 k( 59) = ( 0.5000000 0.3400000 -0.0000000), wk = 0.0027778 k( 60) = ( 0.5000000 0.3600000 0.0000000), wk = 0.0027778 k( 61) = ( 0.5000000 0.3800000 -0.0000000), wk = 0.0027778 k( 62) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0027778 k( 63) = ( 0.5000000 0.4200000 0.0000000), wk = 0.0027778 k( 64) = ( 0.5000000 0.4400000 0.0000000), wk = 0.0027778 k( 65) = ( 0.5000000 0.4600000 0.0000000), wk = 0.0027778 k( 66) = ( 0.5000000 0.4800000 -0.0000000), wk = 0.0027778 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 69) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027778 k( 74) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0027778 k( 80) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0027778 k( 83) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0027778 k( 85) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0027778 k( 88) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027778 k( 89) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0027778 k( 90) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0027778 k( 93) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027778 k( 94) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0027778 k( 95) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0027778 k( 96) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0027778 k( 97) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0027778 k( 98) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027778 k( 99) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0027778 k( 100) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027778 k( 101) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027778 k( 102) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0027778 k( 103) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027778 k( 104) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027778 k( 105) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027778 k( 106) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0027778 k( 107) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0027778 k( 108) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 109) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 110) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0027778 k( 111) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0027778 k( 112) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0027778 k( 113) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027778 k( 115) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0027778 k( 117) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0027778 k( 119) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0027778 k( 120) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0027778 k( 121) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0027778 k( 127) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 159) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0027778 k( 160) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0027778 k( 161) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0027778 k( 162) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027778 k( 163) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0027778 k( 164) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0027778 k( 165) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0027778 k( 166) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027778 k( 167) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0027778 k( 168) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0027778 k( 169) = ( 0.1375000 -0.0000000 0.5000000), wk = 0.0027778 k( 170) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027778 k( 171) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0027778 k( 172) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0027778 k( 173) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0027778 k( 174) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027778 k( 175) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0027778 k( 176) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0027778 k( 177) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0027778 k( 178) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027778 k( 179) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0027778 k( 180) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0027778 k( 181) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0027778 k( 182) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027778 k( 183) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0027778 k( 184) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0027778 k( 185) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0027778 k( 186) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027778 k( 187) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0027778 k( 188) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0027778 k( 189) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0027778 k( 190) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027778 k( 191) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0027778 k( 192) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0027778 k( 193) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0027778 k( 194) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0027778 k( 195) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0027778 k( 196) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0027778 k( 197) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0027778 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 200) = ( 0.5000000 0.0200000 0.5000000), wk = 0.0027778 k( 201) = ( 0.5000000 0.0400000 0.5000000), wk = 0.0027778 k( 202) = ( 0.5000000 0.0600000 0.5000000), wk = 0.0027778 k( 203) = ( 0.5000000 0.0800000 0.5000000), wk = 0.0027778 k( 204) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0027778 k( 205) = ( 0.5000000 0.1200000 0.5000000), wk = 0.0027778 k( 206) = ( 0.5000000 0.1400000 0.5000000), wk = 0.0027778 k( 207) = ( 0.5000000 0.1600000 0.5000000), wk = 0.0027778 k( 208) = ( 0.5000000 0.1800000 0.5000000), wk = 0.0027778 k( 209) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0027778 k( 210) = ( 0.5000000 0.2200000 0.5000000), wk = 0.0027778 k( 211) = ( 0.5000000 0.2400000 0.5000000), wk = 0.0027778 k( 212) = ( 0.5000000 0.2600000 0.5000000), wk = 0.0027778 k( 213) = ( 0.5000000 0.2800000 0.5000000), wk = 0.0027778 k( 214) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0027778 k( 215) = ( 0.5000000 0.3200000 0.5000000), wk = 0.0027778 k( 216) = ( 0.5000000 0.3400000 0.5000000), wk = 0.0027778 k( 217) = ( 0.5000000 0.3600000 0.5000000), wk = 0.0027778 k( 218) = ( 0.5000000 0.3800000 0.5000000), wk = 0.0027778 k( 219) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0027778 k( 220) = ( 0.5000000 0.4200000 0.5000000), wk = 0.0027778 k( 221) = ( 0.5000000 0.4400000 0.5000000), wk = 0.0027778 k( 222) = ( 0.5000000 0.4600000 0.5000000), wk = 0.0027778 k( 223) = ( 0.5000000 0.4800000 0.5000000), wk = 0.0027778 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 226) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0027778 k( 227) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0027778 k( 228) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0027778 k( 229) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0027778 k( 230) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027778 k( 231) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0027778 k( 232) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0027778 k( 233) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027778 k( 234) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0027778 k( 235) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027778 k( 236) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0027778 k( 237) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0027778 k( 238) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0027778 k( 239) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0027778 k( 240) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027778 k( 241) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027778 k( 242) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0027778 k( 243) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0027778 k( 244) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0027778 k( 245) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0027778 k( 248) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0027778 k( 249) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027778 k( 250) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027778 k( 251) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0027778 k( 252) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0027778 k( 253) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0027778 k( 254) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0027778 k( 255) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027778 k( 256) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0027778 k( 257) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027778 k( 258) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0027778 k( 259) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0027778 k( 260) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027778 k( 261) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0027778 k( 262) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0027778 k( 263) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0027778 k( 264) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0027778 k( 265) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 266) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 267) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0027778 k( 268) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0027778 k( 269) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0027778 k( 270) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0027778 k( 271) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027778 k( 272) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0027778 k( 273) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0027778 k( 274) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0027778 k( 275) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0027778 k( 276) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027778 k( 277) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0027778 k( 278) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0027778 k( 279) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0027778 k( 280) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0027778 k( 281) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027778 k( 282) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0027778 k( 283) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0027778 k( 284) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0027778 k( 285) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0027778 k( 286) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027778 k( 287) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0027778 k( 288) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0027778 k( 289) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0027778 k( 290) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0027778 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 292) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 293) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0027778 k( 294) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0027778 k( 295) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0027778 k( 296) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027778 k( 297) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027778 k( 299) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0027778 k( 300) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027778 k( 301) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0027778 k( 302) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027778 k( 303) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027778 k( 304) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027778 k( 305) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0027778 k( 306) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027778 k( 307) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0027778 k( 308) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027778 k( 309) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0027778 k( 310) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027778 k( 311) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0027778 k( 313) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0027778 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 316) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0027778 k( 317) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0027778 k( 318) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0027778 k( 319) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0027778 k( 320) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0027778 k( 321) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0027778 k( 322) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0027778 k( 323) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0027778 k( 324) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0027778 k( 325) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0027778 k( 326) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027778 k( 327) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0027778 k( 328) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0027778 k( 329) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0027778 k( 330) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0027778 k( 331) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0027778 k( 332) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0027778 k( 333) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0027778 k( 334) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0027778 k( 335) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0027778 k( 336) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0027778 k( 337) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 75901 G-vectors FFT dimensions: ( 40, 60, 72) Smooth grid: 58407 G-vectors FFT dimensions: ( 36, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 428, 76) NL pseudopotentials 1.10 Mb ( 214, 336) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.02 Mb ( 2109) G-vector shells 0.01 Mb ( 1051) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.99 Mb ( 428, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.78 Mb ( 336, 2, 76) The potential is recalculated from file : ./ZrFeSi.save/charge-density.dat Starting wfc are 176 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.5 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.9 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.3 secs Computing kpt #: 4 total cpu time spent up to now is 14.7 secs Computing kpt #: 5 total cpu time spent up to now is 16.7 secs Computing kpt #: 6 total cpu time spent up to now is 18.8 secs Computing kpt #: 7 total cpu time spent up to now is 20.6 secs Computing kpt #: 8 total cpu time spent up to now is 22.5 secs Computing kpt #: 9 total cpu time spent up to now is 24.5 secs Computing kpt #: 10 total cpu time spent up to now is 26.9 secs Computing kpt #: 11 total cpu time spent up to now is 29.4 secs Computing kpt #: 12 total cpu time spent up to now is 32.3 secs Computing kpt #: 13 total cpu time spent up to now is 35.2 secs Computing kpt #: 14 total cpu time spent up to now is 37.4 secs Computing kpt #: 15 total cpu time spent up to now is 39.5 secs Computing kpt #: 16 total cpu time spent up to now is 41.5 secs Computing kpt #: 17 total cpu time spent up to now is 43.3 secs Computing kpt #: 18 total cpu time spent up to now is 45.2 secs Computing kpt #: 19 total cpu time spent up to now is 47.1 secs Computing kpt #: 20 total cpu time spent up to now is 49.0 secs Computing kpt #: 21 total cpu time spent up to now is 51.1 secs Computing kpt #: 22 total cpu time spent up to now is 53.3 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 24 total cpu time spent up to now is 59.8 secs Computing kpt #: 25 total cpu time spent up to now is 62.7 secs Computing kpt #: 26 total cpu time spent up to now is 65.3 secs Computing kpt #: 27 total cpu time spent up to now is 67.8 secs Computing kpt #: 28 total cpu time spent up to now is 70.1 secs Computing kpt #: 29 total cpu time spent up to now is 72.2 secs Computing kpt #: 30 total cpu time spent up to now is 74.3 secs Computing kpt #: 31 total cpu time spent up to now is 76.4 secs Computing kpt #: 32 total cpu time spent up to now is 78.5 secs Computing kpt #: 33 total cpu time spent up to now is 80.6 secs Computing kpt #: 34 total cpu time spent up to now is 82.9 secs Computing kpt #: 35 total cpu time spent up to now is 85.0 secs Computing kpt #: 36 total cpu time spent up to now is 87.6 secs Computing kpt #: 37 total cpu time spent up to now is 90.2 secs Computing kpt #: 38 total cpu time spent up to now is 93.6 secs Computing kpt #: 39 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 97.4 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.1 secs Computing kpt #: 41 total cpu time spent up to now is 104.7 secs Computing kpt #: 42 total cpu time spent up to now is 108.2 secs Computing kpt #: 43 total cpu time spent up to now is 111.7 secs Computing kpt #: 44 total cpu time spent up to now is 115.3 secs Computing kpt #: 45 total cpu time spent up to now is 118.4 secs Computing kpt #: 46 total cpu time spent up to now is 122.1 secs Computing kpt #: 47 total cpu time spent up to now is 125.7 secs Computing kpt #: 48 total cpu time spent up to now is 129.2 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.0 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 51 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 140.7 secs Computing kpt #: 52 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 144.5 secs Computing kpt #: 53 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 148.4 secs Computing kpt #: 54 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 152.2 secs Computing kpt #: 55 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 156.1 secs Computing kpt #: 56 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 160.2 secs Computing kpt #: 57 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 164.3 secs Computing kpt #: 58 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 168.2 secs Computing kpt #: 59 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 172.1 secs Computing kpt #: 60 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 176.0 secs Computing kpt #: 61 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 179.8 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.6 secs Computing kpt #: 63 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 187.5 secs Computing kpt #: 64 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 191.4 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.1 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.8 secs Computing kpt #: 67 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 202.5 secs Computing kpt #: 68 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 206.2 secs Computing kpt #: 69 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 210.1 secs Computing kpt #: 70 total cpu time spent up to now is 213.2 secs Computing kpt #: 71 total cpu time spent up to now is 215.7 secs Computing kpt #: 72 total cpu time spent up to now is 218.3 secs Computing kpt #: 73 total cpu time spent up to now is 220.5 secs Computing kpt #: 74 total cpu time spent up to now is 222.6 secs Computing kpt #: 75 total cpu time spent up to now is 224.9 secs Computing kpt #: 76 total cpu time spent up to now is 227.0 secs Computing kpt #: 77 total cpu time spent up to now is 229.2 secs Computing kpt #: 78 total cpu time spent up to now is 231.2 secs Computing kpt #: 79 total cpu time spent up to now is 233.1 secs Computing kpt #: 80 total cpu time spent up to now is 235.1 secs Computing kpt #: 81 total cpu time spent up to now is 237.0 secs Computing kpt #: 82 total cpu time spent up to now is 238.8 secs Computing kpt #: 83 total cpu time spent up to now is 240.7 secs Computing kpt #: 84 total cpu time spent up to now is 242.5 secs Computing kpt #: 85 total cpu time spent up to now is 244.3 secs Computing kpt #: 86 total cpu time spent up to now is 246.0 secs Computing kpt #: 87 total cpu time spent up to now is 247.7 secs Computing kpt #: 88 total cpu time spent up to now is 249.4 secs Computing kpt #: 89 total cpu time spent up to now is 251.3 secs Computing kpt #: 90 total cpu time spent up to now is 253.1 secs Computing kpt #: 91 total cpu time spent up to now is 255.0 secs Computing kpt #: 92 total cpu time spent up to now is 256.9 secs Computing kpt #: 93 total cpu time spent up to now is 258.8 secs Computing kpt #: 94 total cpu time spent up to now is 260.7 secs Computing kpt #: 95 total cpu time spent up to now is 262.7 secs Computing kpt #: 96 total cpu time spent up to now is 264.6 secs Computing kpt #: 97 total cpu time spent up to now is 266.6 secs Computing kpt #: 98 total cpu time spent up to now is 268.5 secs Computing kpt #: 99 total cpu time spent up to now is 270.5 secs Computing kpt #: 100 total cpu time spent up to now is 272.4 secs Computing kpt #: 101 total cpu time spent up to now is 274.6 secs Computing kpt #: 102 total cpu time spent up to now is 276.6 secs Computing kpt #: 103 total cpu time spent up to now is 278.8 secs Computing kpt #: 104 total cpu time spent up to now is 280.9 secs Computing kpt #: 105 total cpu time spent up to now is 283.0 secs Computing kpt #: 106 total cpu time spent up to now is 285.1 secs Computing kpt #: 107 total cpu time spent up to now is 287.2 secs Computing kpt #: 108 total cpu time spent up to now is 289.3 secs Computing kpt #: 109 total cpu time spent up to now is 291.4 secs Computing kpt #: 110 total cpu time spent up to now is 293.5 secs Computing kpt #: 111 total cpu time spent up to now is 295.6 secs Computing kpt #: 112 total cpu time spent up to now is 297.8 secs Computing kpt #: 113 total cpu time spent up to now is 299.9 secs Computing kpt #: 114 total cpu time spent up to now is 302.1 secs Computing kpt #: 115 total cpu time spent up to now is 304.6 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.0 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.6 secs Computing kpt #: 118 total cpu time spent up to now is 314.6 secs Computing kpt #: 119 total cpu time spent up to now is 317.7 secs Computing kpt #: 120 total cpu time spent up to now is 320.2 secs Computing kpt #: 121 total cpu time spent up to now is 322.1 secs Computing kpt #: 122 total cpu time spent up to now is 324.0 secs Computing kpt #: 123 total cpu time spent up to now is 325.9 secs Computing kpt #: 124 total cpu time spent up to now is 327.8 secs Computing kpt #: 125 total cpu time spent up to now is 329.7 secs Computing kpt #: 126 total cpu time spent up to now is 331.7 secs Computing kpt #: 127 total cpu time spent up to now is 333.8 secs Computing kpt #: 128 total cpu time spent up to now is 336.2 secs Computing kpt #: 129 total cpu time spent up to now is 338.5 secs Computing kpt #: 130 total cpu time spent up to now is 341.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.6 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.0 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.3 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.7 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.8 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.2 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.7 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.5 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.9 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 385.3 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.8 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.2 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.7 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.1 secs Computing kpt #: 148 total cpu time spent up to now is 402.3 secs Computing kpt #: 149 total cpu time spent up to now is 404.6 secs Computing kpt #: 150 total cpu time spent up to now is 406.7 secs Computing kpt #: 151 total cpu time spent up to now is 408.3 secs Computing kpt #: 152 total cpu time spent up to now is 409.9 secs Computing kpt #: 153 total cpu time spent up to now is 411.5 secs Computing kpt #: 154 total cpu time spent up to now is 413.1 secs Computing kpt #: 155 total cpu time spent up to now is 414.7 secs Computing kpt #: 156 total cpu time spent up to now is 416.3 secs Computing kpt #: 157 total cpu time spent up to now is 417.9 secs Computing kpt #: 158 total cpu time spent up to now is 419.5 secs Computing kpt #: 159 total cpu time spent up to now is 421.1 secs Computing kpt #: 160 total cpu time spent up to now is 422.7 secs Computing kpt #: 161 total cpu time spent up to now is 424.3 secs Computing kpt #: 162 total cpu time spent up to now is 425.9 secs Computing kpt #: 163 total cpu time spent up to now is 427.5 secs Computing kpt #: 164 total cpu time spent up to now is 429.1 secs Computing kpt #: 165 total cpu time spent up to now is 430.7 secs Computing kpt #: 166 total cpu time spent up to now is 432.2 secs Computing kpt #: 167 total cpu time spent up to now is 433.8 secs Computing kpt #: 168 total cpu time spent up to now is 435.4 secs Computing kpt #: 169 total cpu time spent up to now is 437.0 secs Computing kpt #: 170 total cpu time spent up to now is 438.6 secs Computing kpt #: 171 total cpu time spent up to now is 440.2 secs Computing kpt #: 172 total cpu time spent up to now is 441.8 secs Computing kpt #: 173 total cpu time spent up to now is 443.4 secs Computing kpt #: 174 total cpu time spent up to now is 445.0 secs Computing kpt #: 175 total cpu time spent up to now is 446.6 secs Computing kpt #: 176 total cpu time spent up to now is 448.2 secs Computing kpt #: 177 total cpu time spent up to now is 449.8 secs Computing kpt #: 178 total cpu time spent up to now is 451.4 secs Computing kpt #: 179 total cpu time spent up to now is 453.0 secs Computing kpt #: 180 total cpu time spent up to now is 454.5 secs Computing kpt #: 181 total cpu time spent up to now is 456.1 secs Computing kpt #: 182 total cpu time spent up to now is 457.7 secs Computing kpt #: 183 total cpu time spent up to now is 459.3 secs Computing kpt #: 184 total cpu time spent up to now is 461.4 secs Computing kpt #: 185 total cpu time spent up to now is 463.0 secs Computing kpt #: 186 total cpu time spent up to now is 464.6 secs Computing kpt #: 187 total cpu time spent up to now is 466.2 secs Computing kpt #: 188 total cpu time spent up to now is 467.9 secs Computing kpt #: 189 total cpu time spent up to now is 469.5 secs Computing kpt #: 190 total cpu time spent up to now is 471.2 secs Computing kpt #: 191 total cpu time spent up to now is 472.8 secs Computing kpt #: 192 total cpu time spent up to now is 474.5 secs Computing kpt #: 193 total cpu time spent up to now is 476.2 secs Computing kpt #: 194 total cpu time spent up to now is 477.9 secs Computing kpt #: 195 total cpu time spent up to now is 479.5 secs Computing kpt #: 196 total cpu time spent up to now is 481.2 secs Computing kpt #: 197 total cpu time spent up to now is 482.8 secs Computing kpt #: 198 total cpu time spent up to now is 484.4 secs Computing kpt #: 199 total cpu time spent up to now is 486.0 secs Computing kpt #: 200 total cpu time spent up to now is 487.7 secs Computing kpt #: 201 total cpu time spent up to now is 489.3 secs Computing kpt #: 202 total cpu time spent up to now is 491.0 secs Computing kpt #: 203 total cpu time spent up to now is 492.6 secs Computing kpt #: 204 total cpu time spent up to now is 494.3 secs Computing kpt #: 205 total cpu time spent up to now is 496.0 secs Computing kpt #: 206 total cpu time spent up to now is 497.7 secs Computing kpt #: 207 total cpu time spent up to now is 499.4 secs Computing kpt #: 208 total cpu time spent up to now is 501.1 secs Computing kpt #: 209 total cpu time spent up to now is 502.7 secs Computing kpt #: 210 total cpu time spent up to now is 504.4 secs Computing kpt #: 211 total cpu time spent up to now is 506.1 secs Computing kpt #: 212 total cpu time spent up to now is 507.8 secs Computing kpt #: 213 total cpu time spent up to now is 509.5 secs Computing kpt #: 214 total cpu time spent up to now is 511.2 secs Computing kpt #: 215 total cpu time spent up to now is 512.9 secs Computing kpt #: 216 total cpu time spent up to now is 514.6 secs Computing kpt #: 217 total cpu time spent up to now is 516.3 secs Computing kpt #: 218 total cpu time spent up to now is 518.0 secs Computing kpt #: 219 total cpu time spent up to now is 519.8 secs Computing kpt #: 220 total cpu time spent up to now is 521.7 secs Computing kpt #: 221 total cpu time spent up to now is 523.8 secs Computing kpt #: 222 total cpu time spent up to now is 526.0 secs Computing kpt #: 223 total cpu time spent up to now is 528.4 secs Computing kpt #: 224 total cpu time spent up to now is 530.8 secs Computing kpt #: 225 total cpu time spent up to now is 533.3 secs Computing kpt #: 226 total cpu time spent up to now is 535.7 secs Computing kpt #: 227 total cpu time spent up to now is 538.1 secs Computing kpt #: 228 total cpu time spent up to now is 540.5 secs Computing kpt #: 229 total cpu time spent up to now is 542.9 secs Computing kpt #: 230 total cpu time spent up to now is 545.2 secs Computing kpt #: 231 total cpu time spent up to now is 547.5 secs Computing kpt #: 232 total cpu time spent up to now is 549.7 secs Computing kpt #: 233 total cpu time spent up to now is 551.9 secs Computing kpt #: 234 total cpu time spent up to now is 554.0 secs Computing kpt #: 235 total cpu time spent up to now is 556.0 secs Computing kpt #: 236 total cpu time spent up to now is 558.2 secs Computing kpt #: 237 total cpu time spent up to now is 560.3 secs Computing kpt #: 238 total cpu time spent up to now is 562.5 secs Computing kpt #: 239 total cpu time spent up to now is 564.6 secs Computing kpt #: 240 total cpu time spent up to now is 566.7 secs Computing kpt #: 241 total cpu time spent up to now is 568.8 secs Computing kpt #: 242 total cpu time spent up to now is 570.9 secs Computing kpt #: 243 total cpu time spent up to now is 573.0 secs Computing kpt #: 244 total cpu time spent up to now is 575.1 secs Computing kpt #: 245 total cpu time spent up to now is 577.1 secs Computing kpt #: 246 total cpu time spent up to now is 579.2 secs Computing kpt #: 247 total cpu time spent up to now is 581.2 secs Computing kpt #: 248 total cpu time spent up to now is 583.1 secs Computing kpt #: 249 total cpu time spent up to now is 584.9 secs Computing kpt #: 250 total cpu time spent up to now is 586.8 secs Computing kpt #: 251 total cpu time spent up to now is 588.9 secs Computing kpt #: 252 total cpu time spent up to now is 590.9 secs Computing kpt #: 253 total cpu time spent up to now is 593.0 secs Computing kpt #: 254 total cpu time spent up to now is 595.1 secs Computing kpt #: 255 total cpu time spent up to now is 597.1 secs Computing kpt #: 256 total cpu time spent up to now is 599.1 secs Computing kpt #: 257 total cpu time spent up to now is 601.1 secs Computing kpt #: 258 total cpu time spent up to now is 603.0 secs Computing kpt #: 259 total cpu time spent up to now is 604.9 secs Computing kpt #: 260 total cpu time spent up to now is 606.8 secs Computing kpt #: 261 total cpu time spent up to now is 608.6 secs Computing kpt #: 262 total cpu time spent up to now is 610.5 secs Computing kpt #: 263 total cpu time spent up to now is 612.3 secs Computing kpt #: 264 total cpu time spent up to now is 614.1 secs Computing kpt #: 265 total cpu time spent up to now is 615.8 secs Computing kpt #: 266 total cpu time spent up to now is 617.6 secs Computing kpt #: 267 total cpu time spent up to now is 619.3 secs Computing kpt #: 268 total cpu time spent up to now is 621.1 secs Computing kpt #: 269 total cpu time spent up to now is 622.8 secs Computing kpt #: 270 total cpu time spent up to now is 624.6 secs Computing kpt #: 271 total cpu time spent up to now is 626.4 secs Computing kpt #: 272 total cpu time spent up to now is 628.1 secs Computing kpt #: 273 total cpu time spent up to now is 629.9 secs Computing kpt #: 274 total cpu time spent up to now is 631.7 secs Computing kpt #: 275 total cpu time spent up to now is 633.4 secs Computing kpt #: 276 total cpu time spent up to now is 635.1 secs Computing kpt #: 277 total cpu time spent up to now is 636.9 secs Computing kpt #: 278 total cpu time spent up to now is 638.6 secs Computing kpt #: 279 total cpu time spent up to now is 640.3 secs Computing kpt #: 280 total cpu time spent up to now is 642.1 secs Computing kpt #: 281 total cpu time spent up to now is 643.8 secs Computing kpt #: 282 total cpu time spent up to now is 645.4 secs Computing kpt #: 283 total cpu time spent up to now is 647.1 secs Computing kpt #: 284 total cpu time spent up to now is 648.7 secs Computing kpt #: 285 total cpu time spent up to now is 650.4 secs Computing kpt #: 286 total cpu time spent up to now is 652.0 secs Computing kpt #: 287 total cpu time spent up to now is 653.7 secs Computing kpt #: 288 total cpu time spent up to now is 655.2 secs Computing kpt #: 289 total cpu time spent up to now is 656.9 secs Computing kpt #: 290 total cpu time spent up to now is 658.4 secs Computing kpt #: 291 total cpu time spent up to now is 660.0 secs Computing kpt #: 292 total cpu time spent up to now is 662.2 secs Computing kpt #: 293 total cpu time spent up to now is 664.3 secs Computing kpt #: 294 total cpu time spent up to now is 666.4 secs Computing kpt #: 295 total cpu time spent up to now is 668.3 secs Computing kpt #: 296 total cpu time spent up to now is 670.3 secs Computing kpt #: 297 total cpu time spent up to now is 672.1 secs Computing kpt #: 298 total cpu time spent up to now is 673.9 secs Computing kpt #: 299 total cpu time spent up to now is 675.7 secs Computing kpt #: 300 total cpu time spent up to now is 677.5 secs Computing kpt #: 301 total cpu time spent up to now is 679.3 secs Computing kpt #: 302 total cpu time spent up to now is 681.0 secs Computing kpt #: 303 total cpu time spent up to now is 682.7 secs Computing kpt #: 304 total cpu time spent up to now is 684.4 secs Computing kpt #: 305 total cpu time spent up to now is 686.1 secs Computing kpt #: 306 total cpu time spent up to now is 687.9 secs Computing kpt #: 307 total cpu time spent up to now is 689.6 secs Computing kpt #: 308 total cpu time spent up to now is 691.3 secs Computing kpt #: 309 total cpu time spent up to now is 693.1 secs Computing kpt #: 310 total cpu time spent up to now is 694.9 secs Computing kpt #: 311 total cpu time spent up to now is 696.6 secs Computing kpt #: 312 total cpu time spent up to now is 698.4 secs Computing kpt #: 313 total cpu time spent up to now is 700.1 secs Computing kpt #: 314 total cpu time spent up to now is 701.9 secs Computing kpt #: 315 total cpu time spent up to now is 703.5 secs Computing kpt #: 316 total cpu time spent up to now is 705.1 secs Computing kpt #: 317 total cpu time spent up to now is 706.6 secs Computing kpt #: 318 total cpu time spent up to now is 708.1 secs Computing kpt #: 319 total cpu time spent up to now is 709.8 secs Computing kpt #: 320 total cpu time spent up to now is 711.5 secs Computing kpt #: 321 total cpu time spent up to now is 713.1 secs Computing kpt #: 322 total cpu time spent up to now is 714.8 secs Computing kpt #: 323 total cpu time spent up to now is 716.5 secs Computing kpt #: 324 total cpu time spent up to now is 718.1 secs Computing kpt #: 325 total cpu time spent up to now is 719.8 secs Computing kpt #: 326 total cpu time spent up to now is 721.4 secs Computing kpt #: 327 total cpu time spent up to now is 723.1 secs Computing kpt #: 328 total cpu time spent up to now is 724.8 secs Computing kpt #: 329 total cpu time spent up to now is 726.5 secs Computing kpt #: 330 total cpu time spent up to now is 728.4 secs Computing kpt #: 331 total cpu time spent up to now is 730.3 secs Computing kpt #: 332 total cpu time spent up to now is 732.4 secs Computing kpt #: 333 total cpu time spent up to now is 734.5 secs Computing kpt #: 334 total cpu time spent up to now is 736.9 secs Computing kpt #: 335 total cpu time spent up to now is 739.6 secs Computing kpt #: 336 total cpu time spent up to now is 743.1 secs Computing kpt #: 337 total cpu time spent up to now is 746.8 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 750.3 secs Computing kpt #: 339 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 754.1 secs Computing kpt #: 340 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 758.0 secs Computing kpt #: 341 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 762.1 secs Computing kpt #: 342 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 766.0 secs Computing kpt #: 343 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 769.8 secs Computing kpt #: 344 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 773.8 secs Computing kpt #: 345 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 777.6 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 781.4 secs Computing kpt #: 347 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 785.2 secs Computing kpt #: 348 total cpu time spent up to now is 787.7 secs Computing kpt #: 349 total cpu time spent up to now is 790.4 secs Computing kpt #: 350 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 794.3 secs Computing kpt #: 351 total cpu time spent up to now is 796.8 secs Computing kpt #: 352 total cpu time spent up to now is 799.3 secs Computing kpt #: 353 total cpu time spent up to now is 801.9 secs Computing kpt #: 354 total cpu time spent up to now is 804.4 secs Computing kpt #: 355 total cpu time spent up to now is 806.9 secs Computing kpt #: 356 total cpu time spent up to now is 809.5 secs Computing kpt #: 357 total cpu time spent up to now is 811.9 secs Computing kpt #: 358 total cpu time spent up to now is 814.5 secs Computing kpt #: 359 total cpu time spent up to now is 817.1 secs Computing kpt #: 360 total cpu time spent up to now is 819.6 secs ethr = 1.56E-08, avg # of iterations = 52.4 total cpu time spent up to now is 819.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7333 PWs) bands (ev): 0.4698 0.4698 2.4132 2.4132 2.5010 2.5010 2.9996 2.9996 5.6651 5.6651 5.7122 5.7122 6.7489 6.7489 6.8805 6.8805 6.9908 6.9908 7.2860 7.2860 7.5518 7.5518 7.8065 7.8065 7.9630 7.9630 7.9777 7.9777 8.4832 8.4832 8.5870 8.5870 8.6888 8.6888 9.0300 9.0300 9.0348 9.0348 9.1281 9.1281 9.2727 9.2727 9.3365 9.3365 9.4902 9.4902 9.6471 9.6471 9.6610 9.6610 9.9575 9.9575 9.9968 9.9968 10.0627 10.0627 10.3085 10.3085 10.5807 10.5807 10.6582 10.6582 10.6832 10.6832 10.9723 10.9723 11.1363 11.1363 11.2415 11.2415 11.5291 11.5291 11.8311 11.8311 12.3796 12.3796 k = 0.0125-0.0000-0.0000 ( 7351 PWs) bands (ev): 0.4714 0.4714 2.4143 2.4143 2.5015 2.5015 2.9994 2.9994 5.6666 5.6666 5.7129 5.7129 6.7498 6.7498 6.8769 6.8769 6.9919 6.9919 7.2866 7.2866 7.5567 7.5567 7.8022 7.8022 7.9627 7.9627 7.9761 7.9761 8.4821 8.4821 8.5883 8.5883 8.6869 8.6869 9.0283 9.0283 9.0358 9.0358 9.1279 9.1279 9.2691 9.2691 9.3379 9.3379 9.4932 9.4932 9.6467 9.6467 9.6607 9.6607 9.9571 9.9571 9.9932 9.9932 10.0629 10.0629 10.3105 10.3105 10.5808 10.5808 10.6588 10.6588 10.6817 10.6817 10.9704 10.9704 11.1349 11.1349 11.2423 11.2423 11.5290 11.5290 11.8356 11.8356 12.3766 12.3766 k = 0.0250-0.0000-0.0000 ( 7355 PWs) bands (ev): 0.4763 0.4763 2.4175 2.4175 2.5030 2.5030 2.9989 2.9989 5.6709 5.6709 5.7151 5.7151 6.7525 6.7525 6.8664 6.8664 6.9954 6.9954 7.2884 7.2884 7.5711 7.5711 7.7895 7.7895 7.9611 7.9611 7.9723 7.9723 8.4789 8.4789 8.5922 8.5922 8.6816 8.6816 9.0235 9.0235 9.0388 9.0388 9.1275 9.1275 9.2591 9.2591 9.3418 9.3418 9.5016 9.5016 9.6456 9.6456 9.6599 9.6599 9.9558 9.9558 9.9828 9.9828 10.0634 10.0634 10.3166 10.3166 10.5810 10.5810 10.6602 10.6602 10.6774 10.6774 10.9646 10.9646 11.1311 11.1311 11.2447 11.2447 11.5287 11.5287 11.8487 11.8487 12.3609 12.3609 k = 0.0375-0.0000-0.0000 ( 7343 PWs) bands (ev): 0.4843 0.4843 2.4227 2.4227 2.5055 2.5055 2.9979 2.9979 5.6781 5.6781 5.7186 5.7186 6.7569 6.7569 6.8500 6.8500 7.0012 7.0012 7.2915 7.2915 7.5938 7.5938 7.7687 7.7687 7.9548 7.9548 7.9696 7.9696 8.4731 8.4731 8.5988 8.5988 8.6727 8.6727 9.0159 9.0159 9.0438 9.0438 9.1269 9.1269 9.2443 9.2443 9.3475 9.3475 9.5138 9.5138 9.6438 9.6438 9.6586 9.6586 9.9525 9.9525 9.9675 9.9675 10.0645 10.0645 10.3263 10.3263 10.5814 10.5814 10.6615 10.6615 10.6706 10.6706 10.9553 10.9553 11.1259 11.1259 11.2489 11.2489 11.5280 11.5280 11.8694 11.8694 12.3287 12.3287 k = 0.0500-0.0000-0.0000 ( 7341 PWs) bands (ev): 0.4955 0.4955 2.4300 2.4300 2.5090 2.5090 2.9966 2.9966 5.6882 5.6882 5.7234 5.7234 6.7629 6.7629 6.8293 6.8293 7.0096 7.0096 7.2959 7.2959 7.6233 7.6233 7.7402 7.7402 7.9423 7.9423 7.9694 7.9694 8.4645 8.4645 8.6077 8.6077 8.6606 8.6606 9.0061 9.0061 9.0504 9.0504 9.1266 9.1266 9.2261 9.2261 9.3541 9.3541 9.5284 9.5284 9.6415 9.6415 9.6567 9.6567 9.9402 9.9402 9.9557 9.9557 10.0662 10.0662 10.3386 10.3386 10.5821 10.5821 10.6593 10.6593 10.6636 10.6636 10.9430 10.9430 11.1207 11.1207 11.2545 11.2545 11.5264 11.5264 11.8965 11.8965 12.2880 12.2880 k = 0.0625-0.0000-0.0000 ( 7337 PWs) bands (ev): 0.5099 0.5099 2.4394 2.4394 2.5134 2.5134 2.9949 2.9949 5.7012 5.7012 5.7291 5.7291 6.7701 6.7701 6.8060 6.8060 7.0203 7.0203 7.3019 7.3019 7.6581 7.6581 7.7050 7.7050 7.9252 7.9252 7.9703 7.9703 8.4532 8.4532 8.6164 8.6164 8.6476 8.6476 8.9947 8.9947 9.0586 9.0586 9.1268 9.1268 9.2059 9.2059 9.3606 9.3606 9.5439 9.5439 9.6387 9.6387 9.6543 9.6543 9.9174 9.9174 9.9505 9.9505 10.0687 10.0687 10.3526 10.3526 10.5832 10.5832 10.6490 10.6490 10.6604 10.6604 10.9284 10.9284 11.1171 11.1171 11.2617 11.2617 11.5233 11.5233 11.9283 11.9283 12.2444 12.2444 k = 0.0750-0.0000-0.0000 ( 7331 PWs) bands (ev): 0.5274 0.5274 2.4507 2.4507 2.5188 2.5188 2.9929 2.9929 5.7169 5.7169 5.7356 5.7356 6.7769 6.7769 6.7831 6.7831 7.0334 7.0334 7.3095 7.3095 7.6615 7.6615 7.6988 7.6988 7.9042 7.9042 7.9715 7.9715 8.4392 8.4392 8.6127 8.6127 8.6456 8.6456 8.9823 8.9823 9.0682 9.0682 9.1277 9.1277 9.1848 9.1848 9.3654 9.3654 9.5592 9.5592 9.6356 9.6356 9.6513 9.6513 9.8925 9.8925 9.9454 9.9454 10.0720 10.0720 10.3669 10.3669 10.5844 10.5844 10.6368 10.6368 10.6545 10.6545 10.9125 10.9125 11.1161 11.1161 11.2704 11.2704 11.5180 11.5180 11.9635 11.9635 12.2012 12.2012 k = 0.0875-0.0000-0.0000 ( 7345 PWs) bands (ev): 0.5481 0.5481 2.4638 2.4638 2.5250 2.5250 2.9905 2.9905 5.7354 5.7354 5.7426 5.7426 6.7567 6.7567 6.7884 6.7884 7.0488 7.0488 7.3190 7.3190 7.6139 7.6139 7.7405 7.7405 7.8796 7.8796 7.9728 7.9728 8.4228 8.4228 8.5925 8.5925 8.6582 8.6582 8.9694 8.9694 9.0786 9.0786 9.1297 9.1297 9.1637 9.1637 9.3672 9.3672 9.5733 9.5733 9.6327 9.6327 9.6478 9.6478 9.8685 9.8685 9.9394 9.9394 10.0762 10.0762 10.3800 10.3800 10.5841 10.5841 10.6250 10.6250 10.6446 10.6446 10.8968 10.8968 11.1184 11.1184 11.2804 11.2804 11.5097 11.5097 12.0006 12.0006 12.1608 12.1608 k = 0.1000-0.0000-0.0000 ( 7343 PWs) bands (ev): 0.5719 0.5719 2.4788 2.4788 2.5322 2.5322 2.9877 2.9877 5.7494 5.7494 5.7568 5.7568 6.7341 6.7341 6.7980 6.7980 7.0664 7.0664 7.3306 7.3306 7.5605 7.5605 7.7848 7.7848 7.8516 7.8516 7.9741 7.9741 8.4045 8.4045 8.5661 8.5661 8.6749 8.6749 8.9565 8.9565 9.0887 9.0887 9.1328 9.1328 9.1442 9.1442 9.3646 9.3646 9.5850 9.5850 9.6307 9.6307 9.6440 9.6440 9.8478 9.8478 9.9322 9.9322 10.0812 10.0812 10.3907 10.3907 10.5792 10.5792 10.6161 10.6161 10.6309 10.6309 10.8831 10.8831 11.1243 11.1243 11.2916 11.2916 11.4976 11.4976 12.0382 12.0382 12.1250 12.1250 k = 0.1125-0.0000-0.0000 ( 7339 PWs) bands (ev): 0.5988 0.5988 2.4955 2.4955 2.5401 2.5401 2.9846 2.9846 5.7560 5.7560 5.7807 5.7807 6.7140 6.7140 6.8078 6.8078 7.0860 7.0860 7.3445 7.3445 7.5021 7.5021 7.8205 7.8205 7.8305 7.8305 7.9751 7.9751 8.3846 8.3846 8.5360 8.5360 8.6932 8.6932 8.9441 8.9441 9.0940 9.0940 9.1302 9.1302 9.1379 9.1379 9.3563 9.3563 9.5924 9.5924 9.6302 9.6302 9.6408 9.6408 9.8322 9.8322 9.9239 9.9239 10.0870 10.0870 10.3982 10.3982 10.5676 10.5676 10.6082 10.6082 10.6160 10.6160 10.8738 10.8738 11.1336 11.1336 11.3040 11.3040 11.4809 11.4809 12.0751 12.0751 12.0954 12.0954 k = 0.1250-0.0000-0.0000 ( 7335 PWs) bands (ev): 0.6287 0.6287 2.5137 2.5137 2.5490 2.5490 2.9812 2.9812 5.7619 5.7619 5.8073 5.8073 6.6976 6.6976 6.8172 6.8172 7.1075 7.1075 7.3609 7.3609 7.4392 7.4392 7.7865 7.7865 7.8769 7.8769 7.9759 7.9759 8.3635 8.3635 8.5028 8.5028 8.7124 8.7124 8.9325 8.9325 9.0855 9.0855 9.1317 9.1317 9.1440 9.1440 9.3416 9.3416 9.5945 9.5945 9.6292 9.6292 9.6414 9.6414 9.8227 9.8227 9.9144 9.9144 10.0934 10.0934 10.4021 10.4021 10.5515 10.5515 10.5898 10.5898 10.6080 10.6080 10.8718 10.8718 11.1455 11.1455 11.3173 11.3173 11.4593 11.4593 12.0717 12.0717 12.1115 12.1115 k = 0.1375-0.0000-0.0000 ( 7341 PWs) bands (ev): 0.6616 0.6616 2.5331 2.5331 2.5587 2.5587 2.9775 2.9775 5.7667 5.7667 5.8364 5.8364 6.6856 6.6856 6.8258 6.8258 7.1305 7.1305 7.3709 7.3709 7.3814 7.3814 7.7499 7.7499 7.9233 7.9233 7.9766 7.9766 8.3415 8.3415 8.4670 8.4670 8.7319 8.7319 8.9221 8.9221 9.0689 9.0689 9.1418 9.1418 9.1525 9.1525 9.3205 9.3205 9.5922 9.5922 9.6250 9.6250 9.6474 9.6474 9.8197 9.8197 9.9038 9.9038 10.1001 10.1001 10.4025 10.4025 10.5330 10.5330 10.5667 10.5667 10.5976 10.5976 10.8787 10.8787 11.1595 11.1595 11.3315 11.3315 11.4328 11.4328 12.0559 12.0559 12.1443 12.1443 k = 0.1500-0.0000-0.0000 ( 7337 PWs) bands (ev): 0.6975 0.6975 2.5531 2.5531 2.5698 2.5698 2.9735 2.9735 5.7699 5.7699 5.8680 5.8680 6.6787 6.6787 6.8330 6.8330 7.1549 7.1549 7.3014 7.3014 7.4024 7.4024 7.7112 7.7112 7.9654 7.9654 7.9811 7.9811 8.3188 8.3188 8.4289 8.4289 8.7517 8.7517 8.9132 8.9132 9.0509 9.0509 9.1523 9.1523 9.1647 9.1647 9.2940 9.2940 9.5876 9.5876 9.6195 9.6195 9.6552 9.6552 9.8223 9.8223 9.8926 9.8926 10.1071 10.1071 10.3998 10.3998 10.5130 10.5130 10.5417 10.5417 10.5812 10.5812 10.8947 10.8947 11.1750 11.1750 11.3464 11.3464 11.4016 11.4016 12.0471 12.0471 12.1611 12.1611 k = 0.1625-0.0000-0.0000 ( 7337 PWs) bands (ev): 0.7363 0.7363 2.5714 2.5714 2.5845 2.5845 2.9693 2.9693 5.7714 5.7714 5.9020 5.9020 6.6774 6.6774 6.8385 6.8385 7.1800 7.1800 7.2277 7.2277 7.4275 7.4275 7.6708 7.6708 7.9733 7.9733 8.0189 8.0189 8.2959 8.2959 8.3889 8.3889 8.7714 8.7714 8.9062 8.9062 9.0334 9.0334 9.1617 9.1617 9.1798 9.1798 9.2634 9.2634 9.5818 9.5818 9.6134 9.6134 9.6631 9.6631 9.8287 9.8287 9.8817 9.8817 10.1139 10.1139 10.3943 10.3943 10.4918 10.4918 10.5158 10.5158 10.5594 10.5594 10.9181 10.9181 11.1912 11.1912 11.3611 11.3611 11.3673 11.3673 12.0446 12.0446 12.1083 12.1083 k = 0.1750-0.0000-0.0000 ( 7335 PWs) bands (ev): 0.7779 0.7779 2.5855 2.5855 2.6048 2.6048 2.9647 2.9647 5.7710 5.7710 5.9383 5.9383 6.6821 6.6821 6.8417 6.8417 7.1512 7.1512 7.2052 7.2052 7.4557 7.4557 7.6295 7.6295 7.9729 7.9729 8.0638 8.0638 8.2729 8.2729 8.3473 8.3473 8.7910 8.7910 8.9011 8.9011 9.0168 9.0168 9.1705 9.1705 9.1948 9.1948 9.2320 9.2320 9.5753 9.5753 9.6070 9.6070 9.6705 9.6705 9.8341 9.8341 9.8746 9.8746 10.1204 10.1204 10.3864 10.3864 10.4694 10.4694 10.4898 10.4898 10.5336 10.5336 10.9466 10.9466 11.2078 11.2078 11.3284 11.3284 11.3777 11.3777 12.0433 12.0433 12.0552 12.0552 k = 0.1875-0.0000-0.0000 ( 7335 PWs) bands (ev): 0.8224 0.8224 2.5977 2.5977 2.6282 2.6282 2.9600 2.9600 5.7689 5.7689 5.9768 5.9768 6.6928 6.6928 6.8424 6.8424 7.0726 7.0726 7.2291 7.2291 7.4866 7.4866 7.5889 7.5889 7.9720 7.9720 8.1079 8.1079 8.2501 8.2501 8.3047 8.3047 8.8103 8.8103 8.8983 8.8983 9.0015 9.0015 9.1745 9.1745 9.1926 9.1926 9.2220 9.2220 9.5684 9.5684 9.6004 9.6004 9.6773 9.6773 9.8306 9.8306 9.8784 9.8784 10.1264 10.1264 10.3763 10.3763 10.4453 10.4453 10.4641 10.4641 10.5060 10.5060 10.9778 10.9778 11.2240 11.2240 11.2884 11.2884 11.3935 11.3935 11.9910 11.9910 12.0583 12.0583 k = 0.2000-0.0000-0.0000 ( 7325 PWs) bands (ev): 0.8696 0.8696 2.6097 2.6097 2.6527 2.6527 2.9550 2.9550 5.7651 5.7651 6.0174 6.0174 6.7095 6.7095 6.8401 6.8401 6.9923 6.9923 7.2494 7.2494 7.5192 7.5192 7.5523 7.5523 7.9711 7.9711 8.1500 8.1500 8.2279 8.2279 8.2617 8.2617 8.8290 8.8290 8.8975 8.8975 8.9877 8.9877 9.1489 9.1489 9.1945 9.1945 9.2379 9.2379 9.5614 9.5614 9.5938 9.5938 9.6834 9.6834 9.8183 9.8183 9.8919 9.8919 10.1315 10.1315 10.3640 10.3640 10.4198 10.4198 10.4386 10.4386 10.4786 10.4786 11.0098 11.0098 11.2369 11.2369 11.2500 11.2500 11.4093 11.4093 11.9345 11.9345 12.0713 12.0713 k = 0.2125-0.0000-0.0000 ( 7311 PWs) bands (ev): 0.9195 0.9195 2.6217 2.6217 2.6778 2.6778 2.9499 2.9499 5.7601 5.7601 6.0599 6.0599 6.7316 6.7316 6.8346 6.8346 6.9110 6.9110 7.2618 7.2618 7.5172 7.5172 7.5599 7.5599 7.9705 7.9705 8.1840 8.1840 8.2065 8.2065 8.2245 8.2245 8.8467 8.8467 8.8989 8.8989 8.9753 8.9753 9.1143 9.1143 9.2038 9.2038 9.2566 9.2566 9.5544 9.5544 9.5871 9.5871 9.6889 9.6889 9.8021 9.8021 9.9096 9.9096 10.1356 10.1356 10.3493 10.3493 10.3930 10.3930 10.4127 10.4127 10.4532 10.4532 11.0404 11.0404 11.2032 11.2032 11.2569 11.2569 11.4249 11.4249 11.8805 11.8805 12.0884 12.0884 k = 0.2250-0.0000-0.0000 ( 7309 PWs) bands (ev): 0.9719 0.9719 2.6338 2.6338 2.7030 2.7030 2.9446 2.9446 5.7542 5.7542 6.1042 6.1042 6.7580 6.7580 6.8246 6.8246 6.8313 6.8313 7.2601 7.2601 7.4999 7.4999 7.5980 7.5980 7.9707 7.9707 8.1636 8.1636 8.1857 8.1857 8.2400 8.2400 8.8628 8.8628 8.9022 8.9022 8.9646 8.9646 9.0807 9.0807 9.2138 9.2138 9.2760 9.2760 9.5475 9.5475 9.5806 9.5806 9.6938 9.6938 9.7841 9.7841 9.9286 9.9286 10.1386 10.1386 10.3315 10.3315 10.3652 10.3652 10.3871 10.3871 10.4307 10.4307 11.0674 11.0674 11.1612 11.1612 11.2711 11.2711 11.4399 11.4399 11.8310 11.8310 12.1087 12.1087 k = 0.2375-0.0000-0.0000 ( 7313 PWs) bands (ev): 1.0268 1.0268 2.6458 2.6458 2.7280 2.7280 2.9392 2.9392 5.7479 5.7479 6.1501 6.1501 6.7424 6.7424 6.7944 6.7944 6.8151 6.8151 7.2402 7.2402 7.4990 7.4990 7.6388 7.6388 7.9722 7.9722 8.1204 8.1204 8.1661 8.1661 8.2761 8.2761 8.8750 8.8750 8.9078 8.9078 8.9554 8.9554 9.0513 9.0513 9.2236 9.2236 9.2956 9.2956 9.5408 9.5408 9.5741 9.5741 9.6981 9.6981 9.7649 9.7649 9.9477 9.9477 10.1402 10.1402 10.3096 10.3096 10.3372 10.3372 10.3633 10.3633 10.4110 10.4110 11.0882 11.0882 11.1197 11.1197 11.2844 11.2844 11.4543 11.4543 11.7880 11.7880 12.1317 12.1317 k = 0.2500-0.0000-0.0000 ( 7309 PWs) bands (ev): 1.0842 1.0842 2.6579 2.6579 2.7524 2.7524 2.9337 2.9337 5.7416 5.7416 6.1974 6.1974 6.6628 6.6628 6.7955 6.7955 6.8330 6.8330 7.2041 7.2041 7.5127 7.5127 7.6810 7.6810 7.9755 7.9755 8.0759 8.0759 8.1479 8.1479 8.3117 8.3117 8.8786 8.8786 8.9169 8.9169 8.9479 8.9479 9.0297 9.0297 9.2332 9.2332 9.3152 9.3152 9.5345 9.5345 9.5679 9.5679 9.7016 9.7016 9.7453 9.7453 9.9661 9.9661 10.1404 10.1404 10.2822 10.2822 10.3112 10.3112 10.3417 10.3417 10.3936 10.3936 11.0766 11.0766 11.1031 11.1031 11.2965 11.2965 11.4679 11.4679 11.7538 11.7538 12.1572 12.1572 k = 0.2625-0.0000-0.0000 ( 7305 PWs) bands (ev): 1.1438 1.1438 2.6698 2.6698 2.7758 2.7758 2.9281 2.9281 5.7358 5.7358 6.2458 6.2458 6.5829 6.5829 6.7762 6.7762 6.8731 6.8731 7.1570 7.1570 7.5355 7.5355 7.7241 7.7241 7.9810 7.9810 8.0319 8.0319 8.1311 8.1311 8.3452 8.3452 8.8698 8.8698 8.9298 8.9298 8.9425 8.9425 9.0194 9.0194 9.2421 9.2421 9.3346 9.3346 9.5286 9.5286 9.5619 9.5619 9.7029 9.7029 9.7269 9.7269 9.9828 9.9828 10.1392 10.1392 10.2500 10.2500 10.2884 10.2884 10.3219 10.3219 10.3780 10.3780 11.0368 11.0368 11.1051 11.1051 11.3072 11.3072 11.4804 11.4804 11.7308 11.7308 12.1844 12.1844 k = 0.2750-0.0000-0.0000 ( 7301 PWs) bands (ev): 1.2057 1.2057 2.6815 2.6815 2.7979 2.7979 2.9225 2.9225 5.7310 5.7310 6.2948 6.2948 6.5051 6.5051 6.7528 6.7528 6.9174 6.9174 7.1033 7.1033 7.5624 7.5624 7.7670 7.7670 7.9850 7.9850 7.9939 7.9939 8.1160 8.1160 8.3762 8.3762 8.8498 8.8498 8.9382 8.9382 8.9458 8.9458 9.0207 9.0207 9.2503 9.2503 9.3537 9.3537 9.5232 9.5232 9.5562 9.5562 9.6941 9.6941 9.7179 9.7179 9.9971 9.9971 10.1366 10.1366 10.2155 10.2155 10.2682 10.2682 10.3034 10.3034 10.3639 10.3639 10.9976 10.9976 11.0958 11.0958 11.3163 11.3163 11.4916 11.4916 11.7202 11.7202 12.2119 12.2120 k = 0.2875-0.0000-0.0000 ( 7293 PWs) bands (ev): 1.2696 1.2696 2.6930 2.6930 2.8180 2.8180 2.9168 2.9168 5.7275 5.7275 6.3416 6.3416 6.4327 6.4327 6.7258 6.7258 6.9649 6.9649 7.0452 7.0452 7.5902 7.5902 7.8087 7.8087 7.9487 7.9487 8.0029 8.0029 8.1028 8.1028 8.4044 8.4044 8.8231 8.8231 8.9372 8.9372 8.9613 8.9613 9.0306 9.0306 9.2574 9.2574 9.3724 9.3724 9.5186 9.5186 9.5509 9.5509 9.6750 9.6750 9.7188 9.7188 10.0082 10.0082 10.1325 10.1325 10.1802 10.1802 10.2506 10.2506 10.2857 10.2857 10.3510 10.3510 10.9596 10.9596 11.0748 11.0748 11.3240 11.3240 11.5016 11.5016 11.7220 11.7220 12.2192 12.2192 k = 0.3000-0.0000-0.0000 ( 7283 PWs) bands (ev): 1.3354 1.3354 2.7043 2.7043 2.8358 2.8358 2.9111 2.9111 5.7257 5.7257 6.3424 6.3424 6.4102 6.4102 6.6955 6.6955 6.9842 6.9842 7.0149 7.0149 7.6156 7.6156 7.8475 7.8475 7.9143 7.9143 8.0197 8.0197 8.0914 8.0914 8.4295 8.4295 8.7930 8.7930 8.9375 8.9375 8.9775 8.9775 9.0459 9.0459 9.2634 9.2634 9.3904 9.3904 9.5147 9.5147 9.5462 9.5462 9.6537 9.6537 9.7218 9.7218 10.0151 10.0151 10.1259 10.1259 10.1459 10.1459 10.2360 10.2360 10.2689 10.2689 10.3391 10.3391 10.9231 10.9231 11.0437 11.0437 11.3301 11.3301 11.5100 11.5100 11.7348 11.7348 12.2084 12.2084 k = 0.3125-0.0000-0.0000 ( 7301 PWs) bands (ev): 1.4031 1.4031 2.7151 2.7151 2.8507 2.8507 2.9055 2.9055 5.7258 5.7258 6.2797 6.2797 6.4557 6.4557 6.6621 6.6621 6.9212 6.9212 7.0670 7.0670 7.6343 7.6343 7.8751 7.8751 7.8954 7.8954 8.0419 8.0419 8.0821 8.0821 8.4513 8.4513 8.7620 8.7620 8.9392 8.9392 8.9937 8.9937 9.0649 9.0649 9.2678 9.2678 9.4075 9.4075 9.5117 9.5117 9.5419 9.5419 9.6320 9.6320 9.7253 9.7253 10.0171 10.0171 10.1050 10.1050 10.1252 10.1252 10.2247 10.2247 10.2529 10.2529 10.3281 10.3281 10.8880 10.8880 11.0049 11.0049 11.3350 11.3350 11.5169 11.5169 11.7561 11.7561 12.1973 12.1973 k = 0.3250-0.0000-0.0000 ( 7313 PWs) bands (ev): 1.4723 1.4723 2.7256 2.7256 2.8622 2.8622 2.8999 2.8999 5.7281 5.7281 6.2161 6.2161 6.5067 6.5067 6.6260 6.6260 6.8567 6.8567 7.1207 7.1207 7.6413 7.6413 7.8685 7.8685 7.9189 7.9189 8.0691 8.0691 8.0753 8.0753 8.4697 8.4697 8.7312 8.7312 8.9421 8.9421 9.0096 9.0096 9.0864 9.0864 9.2706 9.2706 9.4236 9.4236 9.5096 9.5096 9.5384 9.5384 9.6106 9.6106 9.7289 9.7289 10.0140 10.0140 10.0714 10.0714 10.1171 10.1171 10.2164 10.2164 10.2381 10.2381 10.3180 10.3180 10.8544 10.8544 10.9609 10.9609 11.3387 11.3387 11.5220 11.5220 11.7839 11.7839 12.1877 12.1877 k = 0.3375-0.0000-0.0000 ( 7307 PWs) bands (ev): 1.5431 1.5431 2.7356 2.7356 2.8698 2.8698 2.8943 2.8943 5.7327 5.7327 6.1570 6.1570 6.5585 6.5585 6.5875 6.5875 6.7912 6.7912 7.1758 7.1758 7.6332 7.6332 7.8702 7.8702 7.9451 7.9451 8.0697 8.0697 8.1020 8.1020 8.4846 8.4846 8.7016 8.7016 8.9456 8.9456 9.0250 9.0250 9.1099 9.1099 9.2716 9.2716 9.4386 9.4386 9.5086 9.5086 9.5356 9.5356 9.5902 9.5902 9.7325 9.7325 10.0057 10.0057 10.0377 10.0377 10.1100 10.1100 10.2102 10.2102 10.2252 10.2252 10.3086 10.3086 10.8224 10.8224 10.9139 10.9139 11.3417 11.3417 11.5253 11.5253 11.8161 11.8161 12.1803 12.1803 k = 0.3500-0.0000-0.0000 ( 7325 PWs) bands (ev): 1.6151 1.6151 2.7452 2.7452 2.8730 2.8730 2.8888 2.8888 5.7399 5.7399 6.1035 6.1035 6.5470 6.5470 6.6103 6.6103 6.7253 6.7253 7.2318 7.2318 7.6118 7.6118 7.8846 7.8846 7.9679 7.9679 8.0669 8.0669 8.1369 8.1369 8.4960 8.4960 8.6742 8.6742 8.9492 8.9492 9.0395 9.0395 9.1348 9.1348 9.2707 9.2707 9.4520 9.4520 9.5087 9.5087 9.5336 9.5336 9.5711 9.5711 9.7360 9.7360 9.9905 9.9905 10.0076 10.0076 10.1032 10.1032 10.2033 10.2033 10.2160 10.2160 10.2998 10.2998 10.7919 10.7919 10.8658 10.8658 11.3441 11.3441 11.5266 11.5266 11.8515 11.8515 12.1754 12.1754 k = 0.3625-0.0000-0.0000 ( 7327 PWs) bands (ev): 1.6883 1.6883 2.7543 2.7543 2.8713 2.8713 2.8835 2.8835 5.7497 5.7497 6.0564 6.0564 6.5049 6.5049 6.6555 6.6555 6.6655 6.6655 7.2883 7.2883 7.5821 7.5821 7.9071 7.9071 7.9874 7.9874 8.0664 8.0664 8.1726 8.1726 8.5041 8.5041 8.6501 8.6501 8.9523 8.9523 9.0530 9.0530 9.1608 9.1608 9.2678 9.2678 9.4633 9.4633 9.5099 9.5099 9.5324 9.5324 9.5545 9.5545 9.7394 9.7394 9.9641 9.9641 9.9865 9.9865 10.0970 10.0970 10.1940 10.1940 10.2113 10.2113 10.2914 10.2914 10.7630 10.7630 10.8181 10.8181 11.3465 11.3465 11.5260 11.5260 11.8889 11.8889 12.1730 12.1730 k = 0.3750-0.0000-0.0000 ( 7330 PWs) bands (ev): 1.7622 1.7622 2.7629 2.7629 2.8644 2.8644 2.8782 2.8782 5.7621 5.7621 6.0163 6.0163 6.4615 6.4615 6.5927 6.5927 6.7133 6.7133 7.3451 7.3451 7.5477 7.5477 7.9333 7.9333 8.0038 8.0038 8.0679 8.0679 8.2070 8.2070 8.5089 8.5089 8.6307 8.6307 8.9539 8.9539 9.0655 9.0655 9.1875 9.1875 9.2629 9.2629 9.4717 9.4717 9.5116 9.5116 9.5317 9.5317 9.5425 9.5425 9.7426 9.7426 9.9331 9.9331 9.9688 9.9688 10.0917 10.0917 10.1844 10.1844 10.2084 10.2084 10.2833 10.2833 10.7356 10.7356 10.7721 10.7721 11.3491 11.3491 11.5234 11.5234 11.9277 11.9277 12.1732 12.1732 k = 0.3875-0.0000-0.0000 ( 7320 PWs) bands (ev): 1.8368 1.8368 2.7709 2.7709 2.8518 2.8518 2.8730 2.8730 5.7773 5.7773 5.9837 5.9837 6.4172 6.4172 6.5274 6.5274 6.7633 6.7633 7.4019 7.4019 7.5111 7.5111 7.9607 7.9607 8.0167 8.0167 8.0713 8.0713 8.2385 8.2385 8.5107 8.5107 8.6174 8.6174 8.9534 8.9534 9.0770 9.0770 9.2144 9.2144 9.2563 9.2563 9.4761 9.4761 9.5124 9.5124 9.5303 9.5303 9.5390 9.5390 9.7456 9.7456 9.9021 9.9021 9.9509 9.9509 10.0877 10.0877 10.1758 10.1758 10.2054 10.2054 10.2751 10.2751 10.7097 10.7097 10.7291 10.7291 11.3523 11.3523 11.5190 11.5190 11.9674 11.9674 12.1756 12.1756 k = 0.4000-0.0000-0.0000 ( 7332 PWs) bands (ev): 1.9117 1.9117 2.7782 2.7782 2.8336 2.8336 2.8679 2.8679 5.7952 5.7952 5.9589 5.9589 6.3723 6.3723 6.4630 6.4630 6.8125 6.8125 7.4581 7.4581 7.4738 7.4738 7.9877 7.9877 8.0254 8.0254 8.0760 8.0760 8.2657 8.2657 8.5095 8.5095 8.6120 8.6120 8.9500 8.9500 9.0873 9.0873 9.2408 9.2408 9.2484 9.2484 9.4756 9.4756 9.5118 9.5118 9.5307 9.5307 9.5431 9.5431 9.7484 9.7484 9.8718 9.8718 9.9324 9.9324 10.0851 10.0851 10.1686 10.1686 10.2015 10.2015 10.2667 10.2667 10.6841 10.6841 10.6910 10.6910 11.3563 11.3563 11.5129 11.5129 12.0075 12.0075 12.1800 12.1800 k = 0.4125-0.0000-0.0000 ( 7328 PWs) bands (ev): 1.9866 1.9866 2.7840 2.7840 2.8105 2.8105 2.8628 2.8628 5.8159 5.8159 5.9420 5.9420 6.3272 6.3272 6.4000 6.4000 6.8605 6.8605 7.4351 7.4351 7.5145 7.5145 8.0130 8.0130 8.0291 8.0291 8.0815 8.0815 8.2886 8.2886 8.5054 8.5054 8.6157 8.6157 8.9431 8.9431 9.0967 9.0967 9.2376 9.2376 9.2680 9.2680 9.4714 9.4714 9.5124 9.5124 9.5324 9.5324 9.5516 9.5516 9.7512 9.7512 9.8425 9.8425 9.9136 9.9136 10.0845 10.0845 10.1632 10.1632 10.1966 10.1966 10.2578 10.2578 10.6531 10.6531 10.6646 10.6646 11.3613 11.3613 11.5051 11.5051 12.0478 12.0478 12.1861 12.1861 k = 0.4250-0.0000-0.0000 ( 7330 PWs) bands (ev): 2.0612 2.0612 2.7737 2.7737 2.7970 2.7970 2.8579 2.8579 5.8392 5.8392 5.9332 5.9332 6.2822 6.2822 6.3389 6.3389 6.9074 6.9074 7.3968 7.3968 7.5695 7.5695 8.0258 8.0258 8.0369 8.0369 8.0873 8.0873 8.3079 8.3079 8.4985 8.4985 8.6282 8.6282 8.9324 8.9324 9.1053 9.1053 9.2266 9.2266 9.2935 9.2935 9.4654 9.4654 9.5146 9.5146 9.5341 9.5341 9.5628 9.5628 9.7543 9.7543 9.8142 9.8142 9.8948 9.8948 10.0859 10.0859 10.1596 10.1596 10.1904 10.1904 10.2480 10.2480 10.6239 10.6239 10.6436 10.6436 11.3674 11.3674 11.4960 11.4960 12.0883 12.0883 12.1933 12.1933 k = 0.4375-0.0000-0.0000 ( 7322 PWs) bands (ev): 2.1352 2.1352 2.7394 2.7394 2.8012 2.8012 2.8530 2.8530 5.8650 5.8650 5.9324 5.9324 6.2375 6.2375 6.2802 6.2802 6.9530 6.9530 7.3584 7.3584 7.6234 7.6234 8.0159 8.0159 8.0572 8.0572 8.0933 8.0933 8.3253 8.3253 8.4889 8.4889 8.6483 8.6483 8.9178 8.9178 9.1134 9.1134 9.2147 9.2147 9.3179 9.3179 9.4590 9.4590 9.5175 9.5175 9.5354 9.5354 9.5761 9.5761 9.7578 9.7578 9.7870 9.7870 9.8763 9.8763 10.0893 10.0893 10.1581 10.1581 10.1829 10.1829 10.2375 10.2375 10.6003 10.6003 10.6246 10.6246 11.3747 11.3747 11.4857 11.4857 12.1286 12.1286 12.2012 12.2012 k = 0.4500-0.0000-0.0000 ( 7312 PWs) bands (ev): 2.2081 2.2081 2.6977 2.6977 2.8069 2.8069 2.8481 2.8481 5.8934 5.8934 5.9394 5.9394 6.1934 6.1934 6.2243 6.2243 6.9974 6.9974 7.3199 7.3199 7.6760 7.6760 7.9982 7.9982 8.0745 8.0745 8.0991 8.0991 8.3423 8.3423 8.4772 8.4772 8.6738 8.6738 8.8993 8.8993 9.1212 9.1212 9.2024 9.2024 9.3409 9.3409 9.4523 9.4523 9.5208 9.5208 9.5363 9.5363 9.5911 9.5911 9.7586 9.7586 9.7645 9.7645 9.8583 9.8583 10.0947 10.0947 10.1584 10.1584 10.1746 10.1746 10.2262 10.2262 10.5825 10.5825 10.6077 10.6077 11.3831 11.3831 11.4745 11.4745 12.1684 12.1684 12.2094 12.2094 k = 0.4625-0.0000-0.0000 ( 7316 PWs) bands (ev): 2.2796 2.2796 2.6503 2.6503 2.8126 2.8126 2.8432 2.8432 5.9241 5.9241 5.9539 5.9539 6.1503 6.1503 6.1718 6.1718 7.0405 7.0405 7.2814 7.2814 7.7269 7.7269 7.9734 7.9734 8.0884 8.0884 8.1042 8.1042 8.3596 8.3596 8.4634 8.4634 8.7027 8.7027 8.8774 8.8774 9.1291 9.1291 9.1900 9.1900 9.3622 9.3622 9.4449 9.4449 9.5242 9.5242 9.5364 9.5364 9.6077 9.6077 9.7350 9.7350 9.7687 9.7687 9.8410 9.8410 10.1019 10.1019 10.1592 10.1592 10.1667 10.1667 10.2145 10.2145 10.5705 10.5705 10.5930 10.5930 11.3926 11.3926 11.4627 11.4627 12.2059 12.2060 12.2178 12.2178 k = 0.4750-0.0000-0.0000 ( 7308 PWs) bands (ev): 2.3491 2.3491 2.5980 2.5980 2.8180 2.8180 2.8384 2.8384 5.9568 5.9568 5.9755 5.9755 6.1082 6.1082 6.1232 6.1232 7.0826 7.0826 7.2427 7.2427 7.7758 7.7758 7.9424 7.9424 8.0988 8.0988 8.1081 8.1081 8.3775 8.3775 8.4481 8.4481 8.7334 8.7334 8.8524 8.8524 9.1374 9.1374 9.1780 9.1780 9.3815 9.3815 9.4362 9.4362 9.5274 9.5274 9.5359 9.5359 9.6257 9.6257 9.7109 9.7109 9.7762 9.7762 9.8248 9.8248 10.1106 10.1106 10.1525 10.1525 10.1676 10.1676 10.2029 10.2029 10.5640 10.5640 10.5808 10.5808 11.4030 11.4030 11.4505 11.4505 12.2240 12.2240 12.2348 12.2350 k = 0.4875-0.0000-0.0000 ( 7318 PWs) bands (ev): 2.4162 2.4162 2.5412 2.5412 2.8233 2.8233 2.8335 2.8335 5.9914 5.9914 6.0036 6.0036 6.0679 6.0679 6.0791 6.0791 7.1237 7.1237 7.2036 7.2036 7.8224 7.8224 7.9063 7.9063 8.1058 8.1058 8.1100 8.1100 8.3957 8.3957 8.4314 8.4314 8.7646 8.7646 8.8248 8.8248 9.1463 9.1463 9.1666 9.1666 9.3986 9.3986 9.4258 9.4258 9.5302 9.5302 9.5346 9.5346 9.6452 9.6452 9.6879 9.6879 9.7855 9.7855 9.8100 9.8100 10.1205 10.1205 10.1421 10.1421 10.1738 10.1738 10.1919 10.1919 10.5623 10.5623 10.5713 10.5713 11.4142 11.4142 11.4382 11.4382 12.2306 12.2306 12.2388 12.2389 k = 0.5000-0.0000-0.0000 ( 7320 PWs) bands (ev): 2.4804 2.4804 2.4804 2.4804 2.8284 2.8284 2.8284 2.8284 6.0253 6.0253 6.0253 6.0253 6.0420 6.0420 6.0420 6.0420 7.1640 7.1640 7.1640 7.1640 7.8661 7.8661 7.8661 7.8661 8.1094 8.1094 8.1094 8.1094 8.4138 8.4138 8.4138 8.4138 8.7954 8.7954 8.7954 8.7954 9.1560 9.1560 9.1560 9.1560 9.4133 9.4133 9.4133 9.4133 9.5327 9.5327 9.5327 9.5327 9.6659 9.6659 9.6659 9.6659 9.7969 9.7969 9.7969 9.7969 10.1312 10.1312 10.1312 10.1312 10.1821 10.1821 10.1821 10.1821 10.5649 10.5649 10.5649 10.5649 11.4260 11.4260 11.4260 11.4260 12.2358 12.2358 12.2358 12.2358 k = 0.5000-0.0000-0.0000 ( 7320 PWs) bands (ev): 2.4804 2.4804 2.4804 2.4804 2.8284 2.8284 2.8284 2.8284 6.0253 6.0253 6.0253 6.0253 6.0420 6.0420 6.0420 6.0420 7.1640 7.1640 7.1640 7.1640 7.8661 7.8661 7.8661 7.8661 8.1094 8.1094 8.1094 8.1094 8.4138 8.4138 8.4138 8.4138 8.7954 8.7954 8.7954 8.7954 9.1560 9.1560 9.1560 9.1560 9.4133 9.4133 9.4133 9.4133 9.5327 9.5327 9.5327 9.5327 9.6659 9.6659 9.6659 9.6659 9.7969 9.7969 9.7969 9.7969 10.1312 10.1312 10.1312 10.1312 10.1821 10.1821 10.1821 10.1821 10.5649 10.5649 10.5649 10.5649 11.4260 11.4260 11.4260 11.4260 12.2358 12.2358 12.2358 12.2358 k = 0.5000 0.0123-0.0000 ( 7318 PWs) bands (ev): 2.4809 2.4809 2.4809 2.4809 2.8282 2.8282 2.8282 2.8282 6.0253 6.0253 6.0253 6.0253 6.0416 6.0416 6.0416 6.0416 7.1660 7.1660 7.1660 7.1660 7.8654 7.8654 7.8654 7.8654 8.1084 8.1084 8.1084 8.1084 8.4131 8.4131 8.4131 8.4131 8.7956 8.7956 8.7956 8.7956 9.1560 9.1560 9.1560 9.1560 9.4137 9.4137 9.4137 9.4137 9.5316 9.5316 9.5316 9.5316 9.6661 9.6661 9.6661 9.6661 9.7963 9.7963 9.7963 9.7963 10.1309 10.1309 10.1309 10.1309 10.1819 10.1819 10.1819 10.1819 10.5661 10.5661 10.5661 10.5661 11.4243 11.4243 11.4243 11.4243 12.2342 12.2342 12.2342 12.2342 k = 0.5000 0.0246-0.0000 ( 7322 PWs) bands (ev): 2.4822 2.4822 2.4822 2.4822 2.8274 2.8274 2.8274 2.8274 6.0250 6.0250 6.0250 6.0250 6.0405 6.0405 6.0405 6.0405 7.1719 7.1719 7.1719 7.1719 7.8636 7.8636 7.8636 7.8636 8.1056 8.1056 8.1056 8.1056 8.4111 8.4111 8.4111 8.4111 8.7964 8.7964 8.7964 8.7964 9.1561 9.1561 9.1561 9.1561 9.4147 9.4147 9.4147 9.4147 9.5284 9.5284 9.5284 9.5284 9.6667 9.6667 9.6667 9.6667 9.7947 9.7947 9.7947 9.7947 10.1301 10.1301 10.1301 10.1301 10.1815 10.1815 10.1815 10.1815 10.5695 10.5695 10.5695 10.5695 11.4191 11.4191 11.4191 11.4191 12.2295 12.2295 12.2295 12.2295 k = 0.5000 0.0369-0.0000 ( 7324 PWs) bands (ev): 2.4844 2.4844 2.4844 2.4844 2.8262 2.8262 2.8262 2.8262 6.0244 6.0244 6.0244 6.0244 6.0388 6.0388 6.0388 6.0388 7.1817 7.1817 7.1817 7.1817 7.8605 7.8605 7.8605 7.8605 8.1011 8.1011 8.1011 8.1011 8.4077 8.4077 8.4077 8.4077 8.7978 8.7978 8.7978 8.7978 9.1562 9.1562 9.1562 9.1562 9.4163 9.4163 9.4163 9.4163 9.5233 9.5233 9.5233 9.5233 9.6675 9.6675 9.6675 9.6675 9.7919 9.7919 9.7919 9.7919 10.1287 10.1287 10.1287 10.1287 10.1808 10.1808 10.1808 10.1808 10.5751 10.5751 10.5751 10.5751 11.4106 11.4106 11.4106 11.4106 12.2224 12.2224 12.2224 12.2224 k = 0.5000 0.0491-0.0000 ( 7328 PWs) bands (ev): 2.4876 2.4876 2.4876 2.4876 2.8244 2.8244 2.8244 2.8244 6.0232 6.0232 6.0232 6.0232 6.0370 6.0370 6.0370 6.0370 7.1952 7.1952 7.1952 7.1952 7.8562 7.8562 7.8562 7.8562 8.0948 8.0948 8.0948 8.0948 8.4027 8.4027 8.4027 8.4027 8.8003 8.8003 8.8003 8.8003 9.1563 9.1563 9.1563 9.1563 9.4183 9.4183 9.4183 9.4183 9.5169 9.5169 9.5169 9.5169 9.6681 9.6681 9.6681 9.6681 9.7881 9.7881 9.7881 9.7881 10.1267 10.1267 10.1267 10.1267 10.1797 10.1797 10.1797 10.1797 10.5831 10.5831 10.5831 10.5831 11.3991 11.3991 11.3991 11.3991 12.2136 12.2136 12.2136 12.2136 k = 0.5000 0.0614-0.0000 ( 7324 PWs) bands (ev): 2.4915 2.4915 2.4915 2.4915 2.8222 2.8222 2.8222 2.8222 6.0211 6.0211 6.0211 6.0211 6.0355 6.0355 6.0355 6.0355 7.2121 7.2121 7.2121 7.2121 7.8510 7.8510 7.8510 7.8510 8.0870 8.0870 8.0870 8.0870 8.3959 8.3959 8.3959 8.3959 8.8039 8.8039 8.8039 8.8039 9.1565 9.1565 9.1565 9.1565 9.4205 9.4205 9.4205 9.4205 9.5094 9.5094 9.5094 9.5094 9.6682 9.6682 9.6682 9.6682 9.7831 9.7831 9.7831 9.7831 10.1243 10.1243 10.1243 10.1243 10.1783 10.1783 10.1783 10.1783 10.5932 10.5932 10.5932 10.5932 11.3848 11.3848 11.3848 11.3848 12.2039 12.2039 12.2039 12.2039 k = 0.5000 0.0737-0.0000 ( 7320 PWs) bands (ev): 2.4963 2.4963 2.4963 2.4963 2.8195 2.8195 2.8195 2.8195 6.0180 6.0180 6.0180 6.0180 6.0344 6.0344 6.0344 6.0344 7.2322 7.2322 7.2322 7.2322 7.8447 7.8447 7.8447 7.8447 8.0779 8.0779 8.0779 8.0779 8.3874 8.3874 8.3874 8.3874 8.8090 8.8090 8.8090 8.8090 9.1566 9.1566 9.1566 9.1566 9.4228 9.4228 9.4228 9.4228 9.5013 9.5013 9.5013 9.5013 9.6676 9.6676 9.6676 9.6676 9.7770 9.7770 9.7770 9.7770 10.1214 10.1214 10.1214 10.1214 10.1763 10.1763 10.1763 10.1763 10.6056 10.6056 10.6056 10.6056 11.3683 11.3683 11.3683 11.3683 12.1939 12.1939 12.1940 12.1940 k = 0.5000 0.0860-0.0000 ( 7316 PWs) bands (ev): 2.5019 2.5019 2.5019 2.5019 2.8162 2.8162 2.8162 2.8162 6.0141 6.0141 6.0141 6.0141 6.0338 6.0338 6.0338 6.0338 7.2551 7.2551 7.2551 7.2551 7.8377 7.8377 7.8377 7.8377 8.0677 8.0677 8.0677 8.0677 8.3769 8.3769 8.3769 8.3769 8.8159 8.8159 8.8159 8.8159 9.1566 9.1566 9.1566 9.1566 9.4247 9.4247 9.4247 9.4247 9.4931 9.4931 9.4931 9.4931 9.6660 9.6660 9.6660 9.6660 9.7699 9.7699 9.7699 9.7699 10.1181 10.1181 10.1181 10.1181 10.1737 10.1737 10.1737 10.1737 10.6200 10.6200 10.6200 10.6200 11.3498 11.3498 11.3498 11.3498 12.1841 12.1841 12.1841 12.1841 k = 0.5000 0.0983-0.0000 ( 7316 PWs) bands (ev): 2.5082 2.5082 2.5082 2.5082 2.8125 2.8125 2.8125 2.8125 6.0097 6.0097 6.0097 6.0097 6.0336 6.0336 6.0336 6.0336 7.2804 7.2804 7.2804 7.2804 7.8300 7.8300 7.8300 7.8300 8.0566 8.0566 8.0566 8.0566 8.3645 8.3645 8.3645 8.3645 8.8246 8.8246 8.8246 8.8246 9.1566 9.1566 9.1566 9.1566 9.4262 9.4262 9.4262 9.4262 9.4850 9.4850 9.4850 9.4850 9.6633 9.6633 9.6633 9.6633 9.7615 9.7615 9.7615 9.7615 10.1145 10.1145 10.1145 10.1145 10.1707 10.1707 10.1707 10.1707 10.6364 10.6364 10.6364 10.6364 11.3298 11.3298 11.3298 11.3298 12.1747 12.1747 12.1747 12.1747 k = 0.5000 0.1106-0.0000 ( 7304 PWs) bands (ev): 2.5152 2.5152 2.5152 2.5152 2.8083 2.8083 2.8083 2.8083 6.0050 6.0050 6.0050 6.0050 6.0334 6.0334 6.0334 6.0334 7.3078 7.3078 7.3078 7.3078 7.8216 7.8216 7.8216 7.8216 8.0449 8.0449 8.0449 8.0449 8.3505 8.3505 8.3505 8.3505 8.8353 8.8353 8.8353 8.8353 9.1565 9.1565 9.1565 9.1565 9.4268 9.4268 9.4268 9.4268 9.4774 9.4774 9.4774 9.4774 9.6595 9.6595 9.6595 9.6595 9.7521 9.7521 9.7521 9.7521 10.1107 10.1107 10.1107 10.1107 10.1670 10.1670 10.1670 10.1670 10.6545 10.6545 10.6545 10.6545 11.3088 11.3088 11.3088 11.3088 12.1659 12.1660 12.1660 12.1660 k = 0.5000 0.1229-0.0000 ( 7308 PWs) bands (ev): 2.5229 2.5229 2.5229 2.5229 2.8036 2.8036 2.8036 2.8036 6.0005 6.0005 6.0005 6.0005 6.0332 6.0332 6.0332 6.0332 7.3368 7.3368 7.3368 7.3368 7.8128 7.8128 7.8128 7.8128 8.0330 8.0330 8.0330 8.0330 8.3348 8.3348 8.3348 8.3348 8.8477 8.8477 8.8477 8.8477 9.1562 9.1562 9.1562 9.1562 9.4264 9.4264 9.4264 9.4264 9.4706 9.4706 9.4706 9.4706 9.6544 9.6544 9.6544 9.6544 9.7416 9.7416 9.7416 9.7416 10.1067 10.1067 10.1067 10.1067 10.1628 10.1628 10.1628 10.1628 10.6741 10.6741 10.6741 10.6741 11.2872 11.2872 11.2872 11.2872 12.1578 12.1578 12.1578 12.1578 k = 0.5000 0.1352-0.0000 ( 7304 PWs) bands (ev): 2.5313 2.5313 2.5313 2.5313 2.7984 2.7984 2.7984 2.7984 5.9961 5.9961 5.9961 5.9961 6.0329 6.0329 6.0329 6.0329 7.3671 7.3671 7.3671 7.3671 7.8037 7.8037 7.8037 7.8037 8.0210 8.0210 8.0210 8.0210 8.3179 8.3179 8.3179 8.3179 8.8619 8.8619 8.8619 8.8619 9.1559 9.1559 9.1559 9.1559 9.4248 9.4248 9.4248 9.4248 9.4648 9.4648 9.4648 9.4648 9.6481 9.6481 9.6481 9.6481 9.7300 9.7300 9.7300 9.7300 10.1028 10.1028 10.1028 10.1028 10.1582 10.1582 10.1582 10.1582 10.6950 10.6950 10.6950 10.6950 11.2653 11.2653 11.2653 11.2653 12.1501 12.1501 12.1501 12.1502 k = 0.5000 0.1474-0.0000 ( 7304 PWs) bands (ev): 2.5401 2.5401 2.5401 2.5401 2.7927 2.7927 2.7927 2.7927 5.9922 5.9922 5.9922 5.9922 6.0325 6.0325 6.0325 6.0325 7.3981 7.3981 7.3981 7.3981 7.7942 7.7942 7.7942 7.7942 8.0095 8.0095 8.0095 8.0095 8.2998 8.2998 8.2998 8.2998 8.8777 8.8777 8.8777 8.8777 9.1555 9.1555 9.1555 9.1555 9.4220 9.4220 9.4220 9.4220 9.4599 9.4599 9.4599 9.4599 9.6407 9.6407 9.6407 9.6407 9.7176 9.7176 9.7176 9.7176 10.0990 10.0990 10.0990 10.0990 10.1533 10.1533 10.1533 10.1533 10.7169 10.7169 10.7169 10.7169 11.2433 11.2433 11.2433 11.2433 12.1429 12.1429 12.1429 12.1430 k = 0.5000 0.1597-0.0000 ( 7292 PWs) bands (ev): 2.5495 2.5495 2.5495 2.5495 2.7865 2.7865 2.7865 2.7865 5.9888 5.9888 5.9888 5.9888 6.0318 6.0318 6.0318 6.0318 7.4295 7.4295 7.4295 7.4295 7.7847 7.7847 7.7847 7.7847 7.9986 7.9986 7.9986 7.9986 8.2809 8.2809 8.2809 8.2809 8.8948 8.8948 8.8948 8.8948 9.1551 9.1551 9.1551 9.1551 9.4183 9.4183 9.4183 9.4183 9.4558 9.4558 9.4558 9.4558 9.6321 9.6321 9.6321 9.6321 9.7045 9.7045 9.7045 9.7045 10.0953 10.0953 10.0953 10.0953 10.1482 10.1482 10.1482 10.1482 10.7395 10.7395 10.7395 10.7395 11.2217 11.2217 11.2217 11.2217 12.1359 12.1360 12.1361 12.1363 k = 0.5000 0.1720-0.0000 ( 7290 PWs) bands (ev): 2.5593 2.5593 2.5593 2.5593 2.7799 2.7799 2.7799 2.7799 5.9859 5.9859 5.9859 5.9859 6.0309 6.0309 6.0309 6.0309 7.4606 7.4606 7.4606 7.4606 7.7751 7.7751 7.7751 7.7751 7.9890 7.9890 7.9890 7.9890 8.2614 8.2614 8.2614 8.2614 8.9130 8.9130 8.9130 8.9130 9.1545 9.1545 9.1545 9.1545 9.4141 9.4141 9.4141 9.4141 9.4520 9.4520 9.4520 9.4520 9.6226 9.6226 9.6226 9.6226 9.6908 9.6908 9.6908 9.6908 10.0919 10.0919 10.0919 10.0919 10.1429 10.1429 10.1429 10.1429 10.7626 10.7626 10.7626 10.7626 11.2004 11.2004 11.2004 11.2004 12.1291 12.1291 12.1292 12.1293 k = 0.5000 0.1843-0.0000 ( 7286 PWs) bands (ev): 2.5696 2.5696 2.5696 2.5696 2.7729 2.7729 2.7729 2.7729 5.9837 5.9837 5.9837 5.9837 6.0297 6.0297 6.0297 6.0297 7.4911 7.4911 7.4911 7.4911 7.7655 7.7655 7.7655 7.7655 7.9808 7.9808 7.9808 7.9808 8.2415 8.2415 8.2415 8.2415 8.9321 8.9321 8.9321 8.9321 9.1539 9.1539 9.1539 9.1539 9.4097 9.4097 9.4097 9.4097 9.4482 9.4482 9.4482 9.4482 9.6122 9.6122 9.6122 9.6122 9.6768 9.6768 9.6768 9.6768 10.0888 10.0888 10.0888 10.0888 10.1377 10.1377 10.1377 10.1377 10.7858 10.7858 10.7858 10.7858 11.1797 11.1797 11.1797 11.1797 12.1224 12.1225 12.1226 12.1228 k = 0.5000 0.1966-0.0000 ( 7290 PWs) bands (ev): 2.5801 2.5801 2.5801 2.5801 2.7653 2.7653 2.7653 2.7653 5.9822 5.9822 5.9822 5.9822 6.0282 6.0282 6.0282 6.0282 7.5203 7.5203 7.5203 7.5203 7.7561 7.7561 7.7561 7.7561 7.9746 7.9746 7.9746 7.9746 8.2213 8.2213 8.2213 8.2213 8.9519 8.9519 8.9519 8.9519 9.1531 9.1531 9.1531 9.1531 9.4053 9.4053 9.4053 9.4053 9.4442 9.4442 9.4442 9.4442 9.6012 9.6012 9.6012 9.6012 9.6628 9.6628 9.6628 9.6628 10.0859 10.0859 10.0859 10.0859 10.1327 10.1327 10.1327 10.1327 10.8091 10.8091 10.8091 10.8091 11.1596 11.1596 11.1596 11.1596 12.1158 12.1158 12.1159 12.1160 k = 0.5000 0.2089-0.0000 ( 7282 PWs) bands (ev): 2.5909 2.5909 2.5909 2.5909 2.7574 2.7574 2.7574 2.7574 5.9814 5.9814 5.9814 5.9814 6.0264 6.0264 6.0264 6.0264 7.5479 7.5479 7.5479 7.5479 7.7469 7.7469 7.7469 7.7469 7.9707 7.9707 7.9707 7.9707 8.2010 8.2010 8.2010 8.2010 8.9720 8.9720 8.9720 8.9720 9.1521 9.1521 9.1521 9.1521 9.4013 9.4013 9.4013 9.4013 9.4399 9.4399 9.4399 9.4399 9.5900 9.5900 9.5900 9.5900 9.6491 9.6491 9.6491 9.6491 10.0834 10.0834 10.0834 10.0834 10.1280 10.1280 10.1280 10.1280 10.8320 10.8320 10.8320 10.8320 11.1401 11.1401 11.1401 11.1401 12.1092 12.1092 12.1093 12.1094 k = 0.5000 0.2212-0.0000 ( 7278 PWs) bands (ev): 2.6019 2.6019 2.6019 2.6019 2.7490 2.7490 2.7490 2.7490 5.9812 5.9812 5.9812 5.9812 6.0243 6.0243 6.0243 6.0243 7.5733 7.5733 7.5733 7.5733 7.7379 7.7379 7.7379 7.7379 7.9696 7.9696 7.9696 7.9696 8.1806 8.1806 8.1806 8.1806 8.9922 8.9922 8.9922 8.9922 9.1508 9.1508 9.1508 9.1508 9.3976 9.3976 9.3976 9.3976 9.4351 9.4351 9.4351 9.4351 9.5787 9.5787 9.5787 9.5787 9.6361 9.6361 9.6361 9.6361 10.0812 10.0812 10.0812 10.0812 10.1236 10.1236 10.1236 10.1236 10.8546 10.8546 10.8546 10.8546 11.1212 11.1212 11.1212 11.1212 12.1031 12.1031 12.1032 12.1032 k = 0.5000 0.2335-0.0000 ( 7276 PWs) bands (ev): 2.6131 2.6131 2.6131 2.6131 2.7403 2.7403 2.7403 2.7403 5.9816 5.9816 5.9816 5.9816 6.0219 6.0219 6.0219 6.0219 7.5961 7.5961 7.5961 7.5961 7.7292 7.7292 7.7292 7.7292 7.9715 7.9715 7.9715 7.9715 8.1602 8.1602 8.1602 8.1602 9.0122 9.0122 9.0122 9.0122 9.1489 9.1489 9.1489 9.1489 9.3945 9.3945 9.3945 9.3945 9.4299 9.4299 9.4299 9.4299 9.5677 9.5677 9.5677 9.5677 9.6240 9.6240 9.6240 9.6240 10.0792 10.0792 10.0792 10.0792 10.1197 10.1197 10.1197 10.1197 10.8767 10.8767 10.8767 10.8767 11.1028 11.1028 11.1028 11.1028 12.0976 12.0976 12.0976 12.0977 k = 0.5000 0.2457-0.0000 ( 7268 PWs) bands (ev): 2.6243 2.6243 2.6243 2.6243 2.7311 2.7311 2.7311 2.7311 5.9826 5.9826 5.9826 5.9826 6.0194 6.0194 6.0194 6.0194 7.6161 7.6161 7.6161 7.6161 7.7209 7.7209 7.7209 7.7209 7.9766 7.9766 7.9766 7.9766 8.1400 8.1400 8.1400 8.1400 9.0317 9.0317 9.0317 9.0317 9.1464 9.1464 9.1464 9.1464 9.3921 9.3921 9.3921 9.3921 9.4243 9.4243 9.4243 9.4243 9.5576 9.5576 9.5576 9.5576 9.6133 9.6133 9.6133 9.6133 10.0776 10.0776 10.0776 10.0776 10.1163 10.1163 10.1163 10.1163 10.8982 10.8982 10.8982 10.8982 11.0848 11.0848 11.0848 11.0848 12.0928 12.0929 12.0929 12.0929 k = 0.5000 0.2580-0.0000 ( 7268 PWs) bands (ev): 2.6356 2.6356 2.6356 2.6356 2.7216 2.7216 2.7216 2.7216 5.9839 5.9839 5.9839 5.9839 6.0168 6.0168 6.0168 6.0168 7.6334 7.6334 7.6334 7.6334 7.7128 7.7128 7.7128 7.7128 7.9848 7.9848 7.9848 7.9848 8.1198 8.1198 8.1198 8.1198 9.0504 9.0504 9.0504 9.0504 9.1429 9.1429 9.1429 9.1429 9.3904 9.3904 9.3904 9.3904 9.4186 9.4186 9.4186 9.4186 9.5487 9.5487 9.5487 9.5487 9.6042 9.6042 9.6042 9.6042 10.0763 10.0763 10.0763 10.0763 10.1135 10.1135 10.1135 10.1135 10.9190 10.9190 10.9190 10.9190 11.0672 11.0672 11.0672 11.0672 12.0890 12.0891 12.0891 12.0891 k = 0.5000 0.2703-0.0000 ( 7262 PWs) bands (ev): 2.6468 2.6468 2.6468 2.6468 2.7118 2.7118 2.7118 2.7118 5.9855 5.9855 5.9855 5.9855 6.0142 6.0142 6.0142 6.0142 7.6480 7.6480 7.6480 7.6480 7.7049 7.7049 7.7049 7.7049 7.9959 7.9959 7.9959 7.9959 8.0998 8.0998 8.0998 8.0998 9.0678 9.0678 9.0678 9.0678 9.1381 9.1381 9.1381 9.1381 9.3896 9.3896 9.3896 9.3896 9.4129 9.4129 9.4129 9.4129 9.5414 9.5414 9.5414 9.5414 9.5968 9.5968 9.5968 9.5968 10.0753 10.0753 10.0753 10.0753 10.1113 10.1113 10.1113 10.1113 10.9390 10.9390 10.9390 10.9390 11.0497 11.0497 11.0497 11.0497 12.0861 12.0862 12.0862 12.0862 k = 0.5000 0.2826-0.0000 ( 7262 PWs) bands (ev): 2.6578 2.6578 2.6578 2.6578 2.7017 2.7017 2.7017 2.7017 5.9870 5.9870 5.9870 5.9870 6.0120 6.0120 6.0120 6.0120 7.6602 7.6602 7.6602 7.6602 7.6972 7.6972 7.6972 7.6972 8.0096 8.0096 8.0096 8.0096 8.0801 8.0801 8.0801 8.0801 9.0837 9.0837 9.0837 9.0837 9.1318 9.1318 9.1318 9.1318 9.3897 9.3897 9.3897 9.3897 9.4078 9.4078 9.4078 9.4078 9.5360 9.5360 9.5360 9.5360 9.5915 9.5915 9.5915 9.5915 10.0746 10.0746 10.0746 10.0746 10.1097 10.1097 10.1097 10.1097 10.9583 10.9583 10.9583 10.9583 11.0323 11.0323 11.0323 11.0323 12.0841 12.0841 12.0842 12.0843 k = 0.5000 0.2949-0.0000 ( 7262 PWs) bands (ev): 2.6686 2.6686 2.6686 2.6686 2.6916 2.6916 2.6916 2.6916 5.9882 5.9882 5.9882 5.9882 6.0104 6.0104 6.0104 6.0104 7.6706 7.6706 7.6706 7.6706 7.6895 7.6895 7.6895 7.6895 8.0253 8.0253 8.0253 8.0253 8.0610 8.0610 8.0610 8.0610 9.0973 9.0973 9.0973 9.0973 9.1242 9.1242 9.1242 9.1242 9.3905 9.3905 9.3905 9.3905 9.4037 9.4037 9.4037 9.4037 9.5326 9.5326 9.5326 9.5326 9.5882 9.5882 9.5882 9.5882 10.0742 10.0742 10.0742 10.0742 10.1087 10.1087 10.1087 10.1087 10.9767 10.9767 10.9767 10.9767 11.0151 11.0151 11.0151 11.0151 12.0830 12.0830 12.0830 12.0831 k = 0.5000 0.3072-0.0000 ( 7264 PWs) bands (ev): 2.6763 2.6763 2.6763 2.6763 2.6841 2.6841 2.6841 2.6841 5.9887 5.9887 5.9887 5.9887 6.0098 6.0098 6.0098 6.0098 7.6772 7.6772 7.6772 7.6772 7.6837 7.6837 7.6837 7.6837 8.0422 8.0422 8.0422 8.0422 8.0429 8.0429 8.0429 8.0429 9.1049 9.1049 9.1049 9.1049 9.1186 9.1186 9.1186 9.1186 9.3911 9.3911 9.3911 9.3911 9.4021 9.4021 9.4021 9.4021 9.5315 9.5315 9.5315 9.5315 9.5871 9.5871 9.5871 9.5871 10.0740 10.0740 10.0740 10.0740 10.1084 10.1084 10.1084 10.1084 10.9900 10.9900 10.9900 10.9900 11.0023 11.0023 11.0023 11.0023 12.0826 12.0826 12.0826 12.0827 k = 0.5000 0.3072-0.0000 ( 7264 PWs) bands (ev): 2.6763 2.6763 2.6763 2.6763 2.6841 2.6841 2.6841 2.6841 5.9887 5.9887 5.9887 5.9887 6.0098 6.0098 6.0098 6.0098 7.6772 7.6772 7.6772 7.6772 7.6837 7.6837 7.6837 7.6837 8.0422 8.0422 8.0422 8.0422 8.0429 8.0429 8.0429 8.0429 9.1049 9.1049 9.1049 9.1049 9.1186 9.1186 9.1186 9.1186 9.3911 9.3911 9.3911 9.3911 9.4021 9.4021 9.4021 9.4021 9.5315 9.5315 9.5315 9.5315 9.5871 9.5871 9.5871 9.5871 10.0740 10.0740 10.0740 10.0740 10.1084 10.1084 10.1084 10.1084 10.9900 10.9900 10.9900 10.9900 11.0023 11.0023 11.0023 11.0023 12.0826 12.0826 12.0827 12.0830 k = 0.4875 0.3072-0.0000 ( 7260 PWs) bands (ev): 2.6408 2.6408 2.6481 2.6481 2.7094 2.7094 2.7177 2.7177 5.9709 5.9709 5.9920 5.9920 6.0089 6.0089 6.0302 6.0302 7.6341 7.6341 7.6395 7.6395 7.7185 7.7185 7.7261 7.7261 8.0290 8.0290 8.0298 8.0298 8.0561 8.0561 8.0567 8.0567 9.1007 9.1007 9.1084 9.1084 9.1146 9.1146 9.1216 9.1216 9.3821 9.3821 9.3872 9.3872 9.3973 9.3973 9.4143 9.4143 9.5207 9.5207 9.5471 9.5471 9.5811 9.5811 9.5972 9.5972 10.0652 10.0652 10.0852 10.0852 10.0968 10.0968 10.1220 10.1220 10.9720 10.9720 10.9842 10.9842 11.0088 11.0088 11.0211 11.0211 12.0679 12.0679 12.0866 12.0933 k = 0.4750 0.3072-0.0000 ( 7262 PWs) bands (ev): 2.6032 2.6032 2.6100 2.6100 2.7400 2.7400 2.7488 2.7488 5.9557 5.9557 5.9768 5.9768 6.0316 6.0316 6.0530 6.0530 7.5897 7.5897 7.5940 7.5940 7.7575 7.7575 7.7663 7.7663 8.0167 8.0167 8.0175 8.0175 8.0704 8.0704 8.0709 8.0709 9.0957 9.0957 9.1095 9.1095 9.1112 9.1112 9.1237 9.1237 9.3706 9.3706 9.3706 9.3706 9.4010 9.4010 9.4227 9.4227 9.5156 9.5156 9.5664 9.5664 9.5788 9.5788 9.6109 9.6109 10.0588 10.0588 10.0873 10.0873 10.0985 10.0985 10.1374 10.1374 10.9549 10.9549 10.9670 10.9670 11.0284 11.0284 11.0406 11.0406 12.0511 12.0511 12.0704 12.0704 k = 0.4625 0.3072-0.0000 ( 7270 PWs) bands (ev): 2.5636 2.5636 2.5699 2.5699 2.7680 2.7680 2.7772 2.7772 5.9431 5.9431 5.9642 5.9642 6.0565 6.0565 6.0781 6.0781 7.5446 7.5446 7.5477 7.5477 7.7937 7.7937 7.8036 7.8036 8.0055 8.0055 8.0063 8.0063 8.0849 8.0849 8.0853 8.0853 9.0899 9.0899 9.1032 9.1032 9.1133 9.1133 9.1247 9.1247 9.3532 9.3532 9.3572 9.3572 9.4027 9.4027 9.4268 9.4268 9.5168 9.5168 9.5799 9.5799 9.5889 9.5889 9.6281 9.6281 10.0552 10.0552 10.0801 10.0801 10.1137 10.1137 10.1544 10.1544 10.9388 10.9388 10.9506 10.9506 11.0487 11.0487 11.0608 11.0608 12.0326 12.0326 12.0525 12.0525 k = 0.4500 0.3072-0.0000 ( 7264 PWs) bands (ev): 2.5222 2.5222 2.5281 2.5281 2.7932 2.7932 2.8028 2.8028 5.9330 5.9330 5.9543 5.9543 6.0835 6.0835 6.1053 6.1053 7.4994 7.4994 7.5011 7.5011 7.8265 7.8265 7.8375 7.8375 7.9958 7.9958 7.9965 7.9965 8.0993 8.0993 8.0997 8.0997 9.0833 9.0833 9.0958 9.0958 9.1147 9.1147 9.1250 9.1250 9.3355 9.3355 9.3426 9.3426 9.4031 9.4031 9.4276 9.4276 9.5233 9.5233 9.5837 9.5837 9.6141 9.6141 9.6481 9.6481 10.0542 10.0542 10.0752 10.0752 10.1306 10.1306 10.1728 10.1728 10.9237 10.9237 10.9351 10.9351 11.0697 11.0697 11.0815 11.0815 12.0127 12.0127 12.0331 12.0331 k = 0.4375 0.3072-0.0000 ( 7268 PWs) bands (ev): 2.4792 2.4792 2.4847 2.4847 2.8156 2.8156 2.8257 2.8257 5.9253 5.9253 5.9468 5.9468 6.1124 6.1124 6.1344 6.1344 7.4546 7.4546 7.4550 7.4550 7.8552 7.8552 7.8675 7.8675 7.9879 7.9879 7.9883 7.9883 8.1135 8.1135 8.1137 8.1137 9.0757 9.0757 9.0870 9.0870 9.1155 9.1155 9.1246 9.1246 9.3181 9.3181 9.3274 9.3274 9.4030 9.4030 9.4268 9.4268 9.5333 9.5333 9.5896 9.5896 9.6415 9.6415 9.6705 9.6705 10.0560 10.0560 10.0727 10.0727 10.1488 10.1488 10.1925 10.1925 10.9098 10.9098 10.9206 10.9206 11.0911 11.0911 11.1027 11.1027 11.9916 11.9916 12.0126 12.0126 k = 0.4250 0.3072-0.0000 ( 7276 PWs) bands (ev): 2.4349 2.4349 2.4399 2.4399 2.8352 2.8352 2.8456 2.8456 5.9198 5.9198 5.9416 5.9416 6.1430 6.1430 6.1650 6.1650 7.4098 7.4098 7.4109 7.4109 7.8790 7.8790 7.8926 7.8926 7.9823 7.9823 7.9826 7.9826 8.1271 8.1271 8.1272 8.1272 9.0669 9.0669 9.0767 9.0767 9.1159 9.1159 9.1237 9.1237 9.3014 9.3014 9.3122 9.3122 9.4030 9.4030 9.4259 9.4259 9.5455 9.5455 9.5970 9.5970 9.6709 9.6709 9.6948 9.6948 10.0605 10.0605 10.0724 10.0724 10.1682 10.1682 10.2131 10.2131 10.8971 10.8971 10.9072 10.9072 11.1130 11.1130 11.1243 11.1243 11.9699 11.9699 11.9914 11.9914 k = 0.4125 0.3072-0.0000 ( 7260 PWs) bands (ev): 2.3894 2.3894 2.3940 2.3940 2.8518 2.8518 2.8626 2.8626 5.9163 5.9163 5.9386 5.9386 6.1749 6.1749 6.1970 6.1970 7.3663 7.3663 7.3689 7.3689 7.8971 7.8971 7.9118 7.9118 7.9799 7.9799 7.9801 7.9801 8.1398 8.1398 8.1399 8.1399 9.0568 9.0568 9.0649 9.0649 9.1161 9.1161 9.1227 9.1227 9.2858 9.2858 9.2976 9.2976 9.4037 9.4037 9.4255 9.4255 9.5592 9.5592 9.6057 9.6057 9.7017 9.7017 9.7205 9.7205 10.0675 10.0675 10.0745 10.0745 10.1884 10.1884 10.2345 10.2345 10.8857 10.8857 10.8949 10.8949 11.1353 11.1353 11.1463 11.1463 11.9478 11.9478 11.9699 11.9699 k = 0.4000 0.3072-0.0000 ( 7268 PWs) bands (ev): 2.3430 2.3430 2.3472 2.3472 2.8656 2.8656 2.8767 2.8767 5.9146 5.9146 5.9375 5.9375 6.2077 6.2077 6.2298 6.2298 7.3252 7.3252 7.3294 7.3294 7.9088 7.9088 7.9238 7.9238 7.9808 7.9808 7.9818 7.9818 8.1514 8.1514 8.1516 8.1516 9.0455 9.0455 9.0517 9.0517 9.1162 9.1162 9.1216 9.1216 9.2716 9.2716 9.2839 9.2839 9.4053 9.4053 9.4262 9.4262 9.5741 9.5741 9.6158 9.6158 9.7337 9.7337 9.7471 9.7471 10.0769 10.0769 10.0788 10.0788 10.2094 10.2094 10.2564 10.2564 10.8757 10.8757 10.8837 10.8837 11.1579 11.1579 11.1685 11.1685 11.9258 11.9258 11.9484 11.9484 k = 0.3875 0.3072-0.0000 ( 7272 PWs) bands (ev): 2.2958 2.2958 2.2997 2.2997 2.8766 2.8766 2.8879 2.8879 5.9142 5.9142 5.9377 5.9377 6.2413 6.2413 6.2631 6.2631 7.2874 7.2874 7.2931 7.2931 7.9151 7.9151 7.9294 7.9294 7.9843 7.9843 7.9868 7.9868 8.1617 8.1617 8.1620 8.1620 9.0330 9.0330 9.0374 9.0374 9.1164 9.1164 9.1207 9.1207 9.2588 9.2588 9.2713 9.2713 9.4080 9.4080 9.4279 9.4279 9.5902 9.5902 9.6272 9.6272 9.7663 9.7663 9.7742 9.7742 10.0852 10.0852 10.0884 10.0884 10.2307 10.2307 10.2786 10.2786 10.8671 10.8671 10.8738 10.8738 11.1806 11.1806 11.1908 11.1908 11.9042 11.9042 11.9273 11.9273 k = 0.3750 0.3072-0.0000 ( 7264 PWs) bands (ev): 2.2482 2.2482 2.2517 2.2517 2.8849 2.8849 2.8964 2.8964 5.9146 5.9146 5.9390 5.9390 6.2751 6.2751 6.2966 6.2966 7.2536 7.2536 7.2609 7.2609 7.9177 7.9177 7.9312 7.9312 7.9883 7.9883 7.9924 7.9924 8.1707 8.1707 8.1710 8.1710 9.0196 9.0196 9.0223 9.0223 9.1170 9.1170 9.1199 9.1199 9.2475 9.2475 9.2597 9.2597 9.4120 9.4120 9.4308 9.4308 9.6076 9.6076 9.6401 9.6401 9.7991 9.7991 9.8013 9.8013 10.0936 10.0936 10.1017 10.1017 10.2523 10.2523 10.3009 10.3009 10.8601 10.8601 10.8652 10.8652 11.2034 11.2034 11.2131 11.2131 11.8835 11.8835 11.9071 11.9071 k = 0.3625 0.3072-0.0000 ( 7258 PWs) bands (ev): 2.2003 2.2003 2.2035 2.2035 2.8905 2.8905 2.9022 2.9022 5.9154 5.9154 5.9406 5.9406 6.3088 6.3088 6.3297 6.3297 7.2250 7.2250 7.2337 7.2337 7.9186 7.9186 7.9315 7.9315 7.9907 7.9907 7.9960 7.9960 8.1782 8.1782 8.1784 8.1784 9.0057 9.0057 9.0069 9.0069 9.1182 9.1182 9.1195 9.1195 9.2375 9.2375 9.2490 9.2490 9.4172 9.4172 9.4349 9.4349 9.6262 9.6262 9.6547 9.6547 9.8281 9.8281 9.8315 9.8315 10.1038 10.1038 10.1164 10.1164 10.2738 10.2738 10.3230 10.3230 10.8547 10.8547 10.8579 10.8579 11.2261 11.2261 11.2353 11.2353 11.8639 11.8639 11.8881 11.8881 k = 0.3500 0.3072-0.0000 ( 7260 PWs) bands (ev): 2.1522 2.1522 2.1552 2.1552 2.8936 2.8936 2.9054 2.9054 5.9159 5.9159 5.9421 5.9421 6.3421 6.3421 6.3620 6.3620 7.2023 7.2023 7.2123 7.2123 7.9189 7.9189 7.9315 7.9315 7.9902 7.9902 7.9962 7.9962 8.1842 8.1842 8.1842 8.1842 8.9916 8.9916 8.9917 8.9917 9.1195 9.1195 9.1200 9.1200 9.2287 9.2287 9.2390 9.2390 9.4237 9.4237 9.4400 9.4400 9.6462 9.6462 9.6709 9.6709 9.8543 9.8543 9.8632 9.8632 10.1156 10.1156 10.1321 10.1321 10.2951 10.2951 10.3447 10.3447 10.8509 10.8509 10.8520 10.8520 11.2487 11.2487 11.2573 11.2573 11.8459 11.8459 11.8707 11.8707 k = 0.3375 0.3072-0.0000 ( 7270 PWs) bands (ev): 2.1043 2.1043 2.1069 2.1069 2.8944 2.8944 2.9063 2.9063 5.9155 5.9155 5.9427 5.9427 6.3746 6.3746 6.3932 6.3932 7.1866 7.1866 7.1975 7.1975 7.9192 7.9192 7.9319 7.9319 7.9864 7.9864 7.9925 7.9925 8.1884 8.1884 8.1887 8.1887 8.9768 8.9768 8.9779 8.9779 9.1199 9.1199 9.1228 9.1228 9.2210 9.2210 9.2295 9.2295 9.4314 9.4314 9.4462 9.4462 9.6674 9.6674 9.6889 9.6889 9.8795 9.8795 9.8935 9.8935 10.1288 10.1288 10.1483 10.1483 10.3159 10.3159 10.3656 10.3656 10.8475 10.8475 10.8487 10.8487 11.2708 11.2708 11.2789 11.2789 11.8299 11.8299 11.8552 11.8552 k = 0.3250 0.3072-0.0000 ( 7290 PWs) bands (ev): 2.0566 2.0566 2.0590 2.0590 2.8931 2.8931 2.9049 2.9049 5.9135 5.9135 5.9416 5.9416 6.4063 6.4063 6.4232 6.4232 7.1785 7.1785 7.1901 7.1901 7.9197 7.9197 7.9328 7.9328 7.9789 7.9789 7.9846 7.9846 8.1909 8.1909 8.1918 8.1918 8.9628 8.9628 8.9648 8.9648 9.1209 9.1209 9.1265 9.1265 9.2142 9.2142 9.2205 9.2205 9.4401 9.4401 9.4535 9.4535 9.6899 9.6899 9.7086 9.7086 9.9036 9.9036 9.9223 9.9223 10.1430 10.1430 10.1645 10.1645 10.3359 10.3359 10.3857 10.3857 10.8444 10.8444 10.8481 10.8481 11.2926 11.2926 11.3001 11.3001 11.8161 11.8161 11.8419 11.8419 k = 0.3125 0.3072-0.0000 ( 7296 PWs) bands (ev): 2.0094 2.0094 2.0115 2.0115 2.8897 2.8897 2.9015 2.9015 5.9093 5.9093 5.9383 5.9383 6.4371 6.4371 6.4521 6.4521 7.1785 7.1785 7.1904 7.1904 7.9204 7.9204 7.9341 7.9341 7.9681 7.9681 7.9729 7.9729 8.1920 8.1920 8.1934 8.1934 8.9498 8.9498 8.9525 8.9525 9.1223 9.1223 9.1313 9.1313 9.2085 9.2085 9.2119 9.2119 9.4497 9.4497 9.4616 9.4616 9.7135 9.7135 9.7297 9.7297 9.9266 9.9266 9.9493 9.9493 10.1579 10.1579 10.1800 10.1800 10.3549 10.3549 10.4045 10.4045 10.8427 10.8427 10.8489 10.8489 11.3139 11.3139 11.3208 11.3208 11.8048 11.8048 11.8310 11.8310 k = 0.3000 0.3072-0.0000 ( 7304 PWs) bands (ev): 1.9628 1.9628 1.9647 1.9647 2.8846 2.8846 2.8963 2.8963 5.9025 5.9025 5.9320 5.9320 6.4673 6.4673 6.4801 6.4801 7.1867 7.1867 7.1987 7.1987 7.9205 7.9205 7.9359 7.9359 7.9547 7.9547 7.9575 7.9575 8.1914 8.1914 8.1936 8.1936 8.9380 8.9380 8.9413 8.9413 9.1238 9.1238 9.1370 9.1370 9.2040 9.2040 9.2043 9.2043 9.4599 9.4599 9.4705 9.4705 9.7379 9.7379 9.7522 9.7522 9.9485 9.9485 9.9743 9.9743 10.1730 10.1730 10.1946 10.1946 10.3727 10.3727 10.4218 10.4218 10.8421 10.8421 10.8509 10.8509 11.3347 11.3347 11.3410 11.3410 11.7962 11.7962 11.8225 11.8225 k = 0.2875 0.3072-0.0000 ( 7300 PWs) bands (ev): 1.9169 1.9169 1.9186 1.9186 2.8779 2.8779 2.8895 2.8895 5.8926 5.8926 5.9225 5.9225 6.4971 6.4971 6.5077 6.5077 7.2028 7.2028 7.2145 7.2145 7.9175 7.9175 7.9357 7.9357 7.9410 7.9410 7.9416 7.9416 8.1895 8.1895 8.1924 8.1924 8.9275 8.9275 8.9313 8.9313 9.1250 9.1250 9.1431 9.1431 9.1976 9.1976 9.2020 9.2020 9.4707 9.4707 9.4800 9.4800 9.7629 9.7629 9.7756 9.7756 9.9693 9.9693 9.9974 9.9974 10.1877 10.1877 10.2078 10.2078 10.3889 10.3889 10.4373 10.4373 10.8426 10.8426 10.8539 10.8539 11.3549 11.3549 11.3609 11.3609 11.7903 11.7903 11.8166 11.8166 k = 0.2750 0.3072-0.0000 ( 7316 PWs) bands (ev): 1.8720 1.8720 1.8735 1.8735 2.8699 2.8699 2.8813 2.8813 5.8795 5.8795 5.9095 5.9095 6.5271 6.5271 6.5354 6.5354 7.2263 7.2263 7.2375 7.2375 7.9051 7.9051 7.9164 7.9164 7.9354 7.9354 7.9410 7.9410 8.1861 8.1861 8.1899 8.1899 8.9183 8.9183 8.9224 8.9224 9.1252 9.1252 9.1478 9.1478 9.1942 9.1942 9.2023 9.2023 9.4818 9.4818 9.4901 9.4901 9.7882 9.7882 9.7997 9.7997 9.9889 9.9889 10.0186 10.0186 10.2018 10.2018 10.2194 10.2194 10.4033 10.4033 10.4508 10.4508 10.8440 10.8440 10.8573 10.8573 11.3747 11.3747 11.3803 11.3803 11.7870 11.7870 11.8129 11.8129 k = 0.2625 0.3072-0.0000 ( 7316 PWs) bands (ev): 1.8281 1.8281 1.8295 1.8295 2.8606 2.8606 2.8718 2.8718 5.8633 5.8633 5.8930 5.8930 6.5576 6.5576 6.5639 6.5639 7.2562 7.2562 7.2669 7.2669 7.8846 7.8846 7.8925 7.8925 7.9350 7.9350 7.9432 7.9432 8.1816 8.1816 8.1862 8.1862 8.9103 8.9103 8.9146 8.9146 9.1239 9.1239 9.1489 9.1489 9.1965 9.1965 9.2060 9.2060 9.4932 9.4932 9.5006 9.5006 9.8134 9.8134 9.8239 9.8239 10.0075 10.0075 10.0380 10.0380 10.2149 10.2149 10.2295 10.2295 10.4155 10.4155 10.4618 10.4618 10.8459 10.8459 10.8610 10.8610 11.3941 11.3941 11.3996 11.3996 11.7861 11.7861 11.8115 11.8115 k = 0.2500 0.3072-0.0000 ( 7312 PWs) bands (ev): 1.7854 1.7854 1.7867 1.7867 2.8505 2.8505 2.8614 2.8614 5.8443 5.8443 5.8734 5.8734 6.5890 6.5890 6.5936 6.5936 7.2916 7.2916 7.3018 7.3018 7.8607 7.8607 7.8668 7.8668 7.9360 7.9360 7.9452 7.9452 8.1759 8.1759 8.1814 8.1814 8.9034 8.9034 8.9079 8.9079 9.1209 9.1209 9.1456 9.1456 9.2052 9.2052 9.2131 9.2131 9.5048 9.5048 9.5114 9.5114 9.8382 9.8382 9.8479 9.8479 10.0251 10.0251 10.0556 10.0556 10.2270 10.2270 10.2380 10.2380 10.4252 10.4252 10.4703 10.4703 10.8481 10.8481 10.8645 10.8645 11.4132 11.4132 11.4189 11.4189 11.7874 11.7874 11.8119 11.8119 k = 0.2375 0.3072-0.0000 ( 7312 PWs) bands (ev): 1.7441 1.7441 1.7452 1.7452 2.8395 2.8395 2.8501 2.8501 5.8228 5.8228 5.8510 5.8510 6.6216 6.6216 6.6247 6.6247 7.3315 7.3315 7.3412 7.3412 7.8349 7.8349 7.8397 7.8397 7.9371 7.9371 7.9466 7.9466 8.1694 8.1694 8.1757 8.1757 8.8977 8.8977 8.9023 8.9023 9.1165 9.1165 9.1393 9.1393 9.2188 9.2188 9.2236 9.2236 9.5164 9.5164 9.5224 9.5224 9.8622 9.8622 9.8711 9.8711 10.0415 10.0415 10.0714 10.0714 10.2381 10.2381 10.2452 10.2452 10.4323 10.4323 10.4758 10.4758 10.8505 10.8505 10.8677 10.8677 11.4323 11.4323 11.4382 11.4382 11.7904 11.7904 11.8139 11.8139 k = 0.2250 0.3072-0.0000 ( 7314 PWs) bands (ev): 1.7042 1.7042 1.7052 1.7052 2.8280 2.8280 2.8382 2.8382 5.7993 5.7993 5.8264 5.8264 6.6553 6.6553 6.6574 6.6574 7.3749 7.3749 7.3843 7.3843 7.8081 7.8081 7.8117 7.8117 7.9376 7.9376 7.9472 7.9472 8.1623 8.1623 8.1694 8.1694 8.8929 8.8929 8.8975 8.8975 9.1109 9.1109 9.1317 9.1317 9.2358 9.2358 9.2371 9.2371 9.5282 9.5282 9.5336 9.5336 9.8851 9.8851 9.8930 9.8930 10.0566 10.0566 10.0851 10.0851 10.2486 10.2486 10.2516 10.2516 10.4366 10.4366 10.4783 10.4783 10.8527 10.8527 10.8703 10.8703 11.4512 11.4512 11.4576 11.4576 11.7951 11.7951 11.8174 11.8174 k = 0.2125 0.3072-0.0000 ( 7318 PWs) bands (ev): 1.6658 1.6658 1.6667 1.6667 2.8161 2.8161 2.8259 2.8259 5.7744 5.7744 5.8002 5.8002 6.6904 6.6904 6.6915 6.6915 7.4209 7.4209 7.4301 7.4301 7.7809 7.7809 7.7835 7.7835 7.9370 7.9370 7.9466 7.9466 8.1551 8.1551 8.1628 8.1628 8.8890 8.8890 8.8936 8.8936 9.1044 9.1044 9.1235 9.1235 9.2532 9.2532 9.2553 9.2553 9.5399 9.5399 9.5449 9.5449 9.9065 9.9065 9.9134 9.9134 10.0701 10.0701 10.0965 10.0965 10.2575 10.2575 10.2588 10.2588 10.4379 10.4379 10.4777 10.4777 10.8548 10.8548 10.8722 10.8722 11.4701 11.4701 11.4769 11.4769 11.8011 11.8011 11.8222 11.8222 k = 0.2000 0.3072-0.0000 ( 7326 PWs) bands (ev): 1.6291 1.6291 1.6299 1.6299 2.8039 2.8039 2.8133 2.8133 5.7485 5.7485 5.7729 5.7729 6.7265 6.7265 6.7270 6.7270 7.4687 7.4687 7.4777 7.4777 7.7538 7.7538 7.7553 7.7553 7.9350 7.9350 7.9445 7.9445 8.1480 8.1480 8.1564 8.1564 8.8859 8.8859 8.8904 8.8904 9.0973 9.0973 9.1148 9.1148 9.2715 9.2715 9.2769 9.2769 9.5518 9.5518 9.5563 9.5563 9.9262 9.9262 9.9318 9.9318 10.0816 10.0816 10.1053 10.1053 10.2635 10.2635 10.2692 10.2692 10.4365 10.4365 10.4739 10.4739 10.8566 10.8566 10.8734 10.8734 11.4887 11.4887 11.4961 11.4961 11.8084 11.8084 11.8283 11.8283 k = 0.1875 0.3072-0.0000 ( 7326 PWs) bands (ev): 1.5942 1.5942 1.5949 1.5949 2.7917 2.7917 2.8007 2.8007 5.7221 5.7221 5.7451 5.7451 6.7635 6.7635 6.7636 6.7636 7.5173 7.5173 7.5261 7.5261 7.7274 7.7274 7.7276 7.7276 7.9314 7.9314 7.9406 7.9406 8.1416 8.1416 8.1506 8.1506 8.8836 8.8836 8.8879 8.8879 9.0898 9.0898 9.1060 9.1060 9.2918 9.2918 9.3003 9.3003 9.5636 9.5636 9.5678 9.5678 9.9440 9.9440 9.9481 9.9481 10.0908 10.0908 10.1113 10.1113 10.2699 10.2699 10.2800 10.2800 10.4325 10.4325 10.4672 10.4672 10.8582 10.8582 10.8741 10.8741 11.5069 11.5069 11.5148 11.5148 11.8171 11.8171 11.8360 11.8360 k = 0.1750 0.3072-0.0000 ( 7326 PWs) bands (ev): 1.5611 1.5611 1.5617 1.5617 2.7797 2.7797 2.7881 2.7881 5.6958 5.6958 5.7173 5.7173 6.8010 6.8010 6.8012 6.8012 7.5658 7.5658 7.5741 7.5741 7.7010 7.7010 7.7023 7.7023 7.9258 7.9258 7.9348 7.9348 8.1363 8.1363 8.1457 8.1457 8.8818 8.8818 8.8860 8.8860 9.0818 9.0818 9.0969 9.0969 9.3137 9.3137 9.3251 9.3251 9.5755 9.5755 9.5794 9.5794 9.9596 9.9596 9.9620 9.9620 10.0973 10.0973 10.1145 10.1145 10.2768 10.2768 10.2913 10.2913 10.4264 10.4264 10.4579 10.4579 10.8594 10.8594 10.8743 10.8743 11.5244 11.5244 11.5326 11.5326 11.8275 11.8275 11.8455 11.8455 k = 0.1625 0.3072-0.0000 ( 7338 PWs) bands (ev): 1.5300 1.5300 1.5305 1.5305 2.7678 2.7678 2.7758 2.7758 5.6698 5.6698 5.6898 5.6898 6.8390 6.8390 6.8394 6.8394 7.6126 7.6126 7.6185 7.6185 7.6762 7.6762 7.6812 7.6812 7.9184 7.9184 7.9272 7.9272 8.1326 8.1326 8.1422 8.1422 8.8806 8.8806 8.8846 8.8846 9.0735 9.0735 9.0877 9.0877 9.3369 9.3369 9.3512 9.3512 9.5874 9.5874 9.5911 9.5911 9.9731 9.9731 9.9734 9.9734 10.1012 10.1012 10.1150 10.1150 10.2836 10.2836 10.3029 10.3029 10.4190 10.4190 10.4465 10.4465 10.8603 10.8603 10.8741 10.8741 11.5407 11.5407 11.5491 11.5491 11.8396 11.8396 11.8570 11.8570 k = 0.1500 0.3072-0.0000 ( 7342 PWs) bands (ev): 1.5008 1.5008 1.5013 1.5013 2.7563 2.7563 2.7638 2.7638 5.6447 5.6447 5.6631 5.6631 6.8773 6.8773 6.8777 6.8777 7.6389 7.6389 7.6430 7.6430 7.6673 7.6673 7.6832 7.6832 7.9096 7.9096 7.9182 7.9182 8.1306 8.1306 8.1404 8.1404 8.8799 8.8799 8.8836 8.8836 9.0647 9.0647 9.0781 9.0781 9.3613 9.3613 9.3781 9.3781 9.5994 9.5994 9.6028 9.6028 9.9822 9.9822 9.9841 9.9841 10.1028 10.1028 10.1132 10.1132 10.2894 10.2894 10.3139 10.3139 10.4114 10.4114 10.4339 10.4339 10.8609 10.8609 10.8735 10.8735 11.5554 11.5554 11.5637 11.5637 11.8537 11.8537 11.8707 11.8707 k = 0.1375 0.3072-0.0000 ( 7338 PWs) bands (ev): 1.4737 1.4737 1.4741 1.4741 2.7454 2.7454 2.7523 2.7523 5.6206 5.6206 5.6374 5.6374 6.9153 6.9153 6.9157 6.9157 7.6247 7.6247 7.6260 7.6260 7.7037 7.7037 7.7174 7.7174 7.9009 7.9009 7.9091 7.9091 8.1307 8.1307 8.1404 8.1404 8.8797 8.8797 8.8831 8.8831 9.0557 9.0557 9.0684 9.0684 9.3865 9.3865 9.4056 9.4056 9.6116 9.6116 9.6147 9.6147 9.9884 9.9884 9.9926 9.9926 10.1027 10.1027 10.1097 10.1097 10.2927 10.2927 10.3231 10.3231 10.4052 10.4052 10.4215 10.4215 10.8613 10.8613 10.8728 10.8728 11.5682 11.5682 11.5762 11.5762 11.8700 11.8700 11.8866 11.8866 k = 0.1250 0.3072-0.0000 ( 7342 PWs) bands (ev): 1.4488 1.4488 1.4491 1.4491 2.7350 2.7350 2.7414 2.7414 5.5979 5.5979 5.6132 5.6132 6.9529 6.9529 6.9531 6.9531 7.6065 7.6065 7.6069 7.6069 7.7379 7.7379 7.7496 7.7496 7.8951 7.8951 7.9021 7.9021 8.1331 8.1331 8.1424 8.1424 8.8799 8.8799 8.8830 8.8830 9.0462 9.0462 9.0582 9.0582 9.4122 9.4122 9.4332 9.4332 9.6238 9.6238 9.6267 9.6267 9.9917 9.9917 9.9983 9.9983 10.1015 10.1015 10.1052 10.1052 10.2916 10.2916 10.3280 10.3280 10.4021 10.4021 10.4115 10.4115 10.8616 10.8616 10.8721 10.8721 11.5788 11.5788 11.5862 11.5862 11.8882 11.8882 11.9046 11.9046 k = 0.1125 0.3072-0.0000 ( 7348 PWs) bands (ev): 1.4260 1.4260 1.4263 1.4263 2.7254 2.7254 2.7312 2.7312 5.5768 5.5768 5.5906 5.5906 6.9894 6.9894 6.9895 6.9895 7.5890 7.5890 7.5906 7.5906 7.7609 7.7609 7.7693 7.7693 7.8971 7.8971 7.9014 7.9014 8.1380 8.1380 8.1467 8.1467 8.8804 8.8804 8.8832 8.8832 9.0364 9.0364 9.0478 9.0478 9.4379 9.4379 9.4605 9.4605 9.6362 9.6362 9.6389 9.6389 9.9920 9.9920 10.0010 10.0010 10.1000 10.1000 10.1006 10.1006 10.2854 10.2854 10.3259 10.3259 10.4029 10.4029 10.4070 10.4070 10.8618 10.8618 10.8713 10.8713 11.5871 11.5871 11.5938 11.5938 11.9082 11.9082 11.9243 11.9243 k = 0.1000 0.3072-0.0000 ( 7330 PWs) bands (ev): 1.4056 1.4056 1.4058 1.4058 2.7166 2.7166 2.7218 2.7218 5.5576 5.5576 5.5697 5.5697 7.0243 7.0243 7.0244 7.0244 7.5744 7.5744 7.5770 7.5770 7.7684 7.7684 7.7723 7.7723 7.9099 7.9099 7.9104 7.9104 8.1455 8.1455 8.1533 8.1533 8.8813 8.8813 8.8837 8.8837 9.0264 9.0264 9.0371 9.0371 9.4634 9.4634 9.4870 9.4870 9.6488 9.6488 9.6512 9.6512 9.9894 9.9894 10.0003 10.0003 10.0968 10.0968 10.0989 10.0989 10.2748 10.2748 10.3162 10.3162 10.4069 10.4069 10.4085 10.4085 10.8622 10.8622 10.8707 10.8707 11.5933 11.5933 11.5992 11.5992 11.9293 11.9293 11.9450 11.9450 k = 0.0875 0.3072-0.0000 ( 7324 PWs) bands (ev): 1.3874 1.3874 1.3876 1.3876 2.7087 2.7087 2.7132 2.7132 5.5403 5.5403 5.5509 5.5509 7.0571 7.0571 7.0574 7.0574 7.5629 7.5629 7.5664 7.5664 7.7619 7.7619 7.7622 7.7622 7.9271 7.9271 7.9293 7.9293 8.1557 8.1557 8.1623 8.1623 8.8825 8.8825 8.8845 8.8845 9.0162 9.0162 9.0262 9.0262 9.4881 9.4881 9.5120 9.5120 9.6615 9.6615 9.6635 9.6635 9.9842 9.9842 9.9963 9.9963 10.0944 10.0944 10.0987 10.0987 10.2611 10.2611 10.3011 10.3011 10.4128 10.4128 10.4137 10.4137 10.8627 10.8627 10.8702 10.8702 11.5976 11.5976 11.6026 11.6026 11.9509 11.9509 11.9658 11.9658 k = 0.0750 0.3072-0.0000 ( 7308 PWs) bands (ev): 1.3715 1.3715 1.3717 1.3717 2.7017 2.7017 2.7056 2.7056 5.5252 5.5252 5.5342 5.5342 7.0872 7.0872 7.0877 7.0877 7.5551 7.5551 7.5593 7.5593 7.7449 7.7449 7.7468 7.7468 7.9460 7.9460 7.9492 7.9492 8.1683 8.1683 8.1735 8.1735 8.8840 8.8840 8.8856 8.8856 9.0061 9.0061 9.0153 9.0153 9.5116 9.5116 9.5349 9.5349 9.6742 9.6742 9.6758 9.6758 9.9768 9.9768 9.9892 9.9892 10.0938 10.0938 10.0997 10.0997 10.2460 10.2460 10.2833 10.2833 10.4194 10.4194 10.4204 10.4204 10.8634 10.8634 10.8700 10.8700 11.6003 11.6003 11.6044 11.6044 11.9719 11.9719 11.9857 11.9857 k = 0.0625 0.3072-0.0000 ( 7316 PWs) bands (ev): 1.3581 1.3581 1.3582 1.3582 2.6957 2.6957 2.6990 2.6990 5.5123 5.5123 5.5198 5.5198 7.1140 7.1140 7.1147 7.1147 7.5513 7.5513 7.5562 7.5562 7.7239 7.7239 7.7272 7.7272 7.9632 7.9632 7.9664 7.9664 8.1825 8.1825 8.1863 8.1863 8.8857 8.8857 8.8868 8.8868 8.9964 8.9964 9.0047 9.0047 9.5333 9.5333 9.5550 9.5550 9.6868 9.6868 9.6877 9.6877 9.9679 9.9679 9.9800 9.9800 10.0949 10.0949 10.1018 10.1018 10.2306 10.2306 10.2645 10.2645 10.4259 10.4259 10.4269 10.4269 10.8643 10.8643 10.8699 10.8699 11.6018 11.6018 11.6050 11.6050 11.9915 11.9915 12.0038 12.0038 k = 0.0500 0.3072-0.0000 ( 7320 PWs) bands (ev): 1.3470 1.3470 1.3471 1.3471 2.6909 2.6909 2.6935 2.6935 5.5017 5.5017 5.5078 5.5078 7.1369 7.1369 7.1376 7.1376 7.5518 7.5518 7.5571 7.5571 7.7012 7.7012 7.7054 7.7054 7.9771 7.9771 7.9798 7.9798 8.1971 8.1971 8.1995 8.1995 8.8875 8.8875 8.8882 8.8882 8.9875 8.9875 8.9946 8.9946 9.5527 9.5527 9.5717 9.5717 9.6988 9.6988 9.6991 9.6991 9.9587 9.9587 9.9696 9.9696 10.0973 10.0973 10.1049 10.1049 10.2161 10.2161 10.2459 10.2459 10.4316 10.4316 10.4326 10.4326 10.8654 10.8654 10.8700 10.8700 11.6024 11.6024 11.6049 11.6049 12.0089 12.0089 12.0193 12.0193 k = 0.0375 0.3072-0.0000 ( 7312 PWs) bands (ev): 1.3384 1.3384 1.3385 1.3385 2.6871 2.6871 2.6891 2.6891 5.4936 5.4936 5.4981 5.4981 7.1552 7.1552 7.1560 7.1560 7.5565 7.5565 7.5621 7.5621 7.6784 7.6784 7.6830 7.6830 7.9875 7.9875 7.9895 7.9895 8.2105 8.2105 8.2119 8.2119 8.8893 8.8893 8.8897 8.8897 8.9799 8.9799 8.9856 8.9856 9.5692 9.5692 9.5845 9.5845 9.7093 9.7093 9.7096 9.7096 9.9501 9.9501 9.9591 9.9591 10.1010 10.1010 10.1085 10.1085 10.2036 10.2036 10.2284 10.2284 10.4362 10.4362 10.4372 10.4372 10.8666 10.8666 10.8701 10.8701 11.6026 11.6026 11.6044 11.6044 12.0234 12.0234 12.0315 12.0315 k = 0.0250 0.3072-0.0000 ( 7296 PWs) bands (ev): 1.3323 1.3323 1.3323 1.3323 2.6845 2.6845 2.6858 2.6858 5.4880 5.4880 5.4910 5.4910 7.1687 7.1687 7.1693 7.1693 7.5650 7.5650 7.5703 7.5703 7.6569 7.6569 7.6616 7.6616 7.9946 7.9946 7.9959 7.9959 8.2212 8.2212 8.2219 8.2219 8.8909 8.8909 8.8911 8.8911 8.9742 8.9742 8.9782 8.9782 9.5822 9.5822 9.5930 9.5930 9.7177 9.7177 9.7183 9.7183 9.9433 9.9433 9.9499 9.9499 10.1053 10.1053 10.1118 10.1118 10.1945 10.1945 10.2129 10.2129 10.4397 10.4397 10.4404 10.4404 10.8677 10.8677 10.8701 10.8701 11.6025 11.6025 11.6037 11.6037 12.0344 12.0344 12.0400 12.0400 k = 0.0125 0.3072-0.0000 ( 7310 PWs) bands (ev): 1.3286 1.3286 1.3286 1.3286 2.6830 2.6830 2.6837 2.6837 5.4849 5.4849 5.4864 5.4864 7.1769 7.1769 7.1772 7.1772 7.5753 7.5753 7.5793 7.5793 7.6397 7.6397 7.6433 7.6433 7.9988 7.9988 7.9994 7.9994 8.2282 8.2282 8.2285 8.2285 8.8920 8.8920 8.8920 8.8920 8.9709 8.9709 8.9730 8.9730 9.5914 9.5914 9.5969 9.5969 9.7234 9.7234 9.7239 9.7239 9.9395 9.9395 9.9429 9.9429 10.1095 10.1095 10.1135 10.1135 10.1904 10.1904 10.2004 10.2004 10.4419 10.4419 10.4422 10.4422 10.8687 10.8687 10.8698 10.8698 11.6025 11.6025 11.6031 11.6031 12.0417 12.0417 12.0445 12.0445 k = 0.0000 0.3072-0.0000 ( 7304 PWs) bands (ev): 1.3273 1.3273 1.3273 1.3273 2.6828 2.6828 2.6828 2.6828 5.4844 5.4844 5.4844 5.4844 7.1798 7.1798 7.1798 7.1798 7.5824 7.5824 7.5824 7.5824 7.6336 7.6336 7.6336 7.6336 8.0003 8.0003 8.0003 8.0003 8.2307 8.2307 8.2307 8.2307 8.8924 8.8924 8.8924 8.8924 8.9705 8.9705 8.9705 8.9705 9.5964 9.5964 9.5964 9.5964 9.7256 9.7256 9.7256 9.7256 9.9393 9.9393 9.9393 9.9393 10.1127 10.1127 10.1127 10.1127 10.1925 10.1925 10.1925 10.1925 10.4428 10.4428 10.4428 10.4428 10.8694 10.8694 10.8694 10.8694 11.6027 11.6027 11.6027 11.6027 12.0451 12.0451 12.0451 12.0451 k = 0.0000 0.3072-0.0000 ( 7304 PWs) bands (ev): 1.3273 1.3273 1.3273 1.3273 2.6828 2.6828 2.6828 2.6828 5.4844 5.4844 5.4844 5.4844 7.1798 7.1798 7.1798 7.1798 7.5824 7.5824 7.5824 7.5824 7.6336 7.6336 7.6336 7.6336 8.0003 8.0003 8.0003 8.0003 8.2307 8.2307 8.2307 8.2307 8.8924 8.8924 8.8924 8.8924 8.9705 8.9705 8.9705 8.9705 9.5964 9.5964 9.5964 9.5964 9.7256 9.7256 9.7256 9.7256 9.9393 9.9393 9.9393 9.9393 10.1127 10.1127 10.1127 10.1127 10.1925 10.1925 10.1925 10.1925 10.4428 10.4428 10.4428 10.4428 10.8694 10.8694 10.8694 10.8694 11.6027 11.6027 11.6027 11.6027 12.0451 12.0451 12.0451 12.0451 k = 0.0000 0.2949-0.0000 ( 7310 PWs) bands (ev): 1.2657 1.2657 1.3903 1.3903 2.6688 2.6688 2.6964 2.6964 5.4699 5.4699 5.5022 5.5022 7.1143 7.1143 7.2412 7.2412 7.5627 7.5627 7.6024 7.6024 7.6275 7.6275 7.6393 7.6393 7.9950 7.9950 8.0056 8.0056 8.1872 8.1872 8.2737 8.2737 8.8817 8.8817 8.9035 8.9035 8.9559 8.9559 8.9854 8.9854 9.5812 9.5812 9.6118 9.6118 9.7118 9.7118 9.7413 9.7413 9.9237 9.9237 9.9511 9.9511 10.0791 10.0791 10.1422 10.1422 10.1750 10.1750 10.2126 10.2126 10.4163 10.4163 10.4697 10.4697 10.8602 10.8602 10.8783 10.8783 11.5739 11.5739 11.6332 11.6332 12.0187 12.0187 12.0725 12.0725 k = 0.0000 0.2826-0.0000 ( 7298 PWs) bands (ev): 1.2056 1.2056 1.4545 1.4545 2.6545 2.6545 2.7095 2.7095 5.4588 5.4588 5.5236 5.5236 7.0460 7.0460 7.2966 7.2966 7.5432 7.5432 7.6210 7.6210 7.6244 7.6244 7.6432 7.6432 7.9898 7.9898 8.0107 8.0107 8.1437 8.1437 8.3158 8.3158 8.8717 8.8717 8.9151 8.9151 8.9420 8.9420 9.0007 9.0007 9.5662 9.5662 9.6275 9.6275 9.6998 9.6998 9.7590 9.7590 9.9052 9.9052 9.9573 9.9573 10.0466 10.0466 10.1448 10.1448 10.1813 10.1813 10.2332 10.2332 10.3911 10.3911 10.4967 10.4967 10.8515 10.8515 10.8863 10.8863 11.5468 11.5468 11.6654 11.6654 11.9929 11.9929 12.1014 12.1014 k = 0.0000 0.2703-0.0000 ( 7304 PWs) bands (ev): 1.1472 1.1472 1.5197 1.5197 2.6399 2.6399 2.7223 2.7223 5.4510 5.4510 5.5484 5.5484 6.9756 6.9756 7.3423 7.3423 7.5241 7.5241 7.6232 7.6232 7.6422 7.6422 7.6456 7.6456 7.9848 7.9848 8.0154 8.0154 8.1005 8.1005 8.3565 8.3565 8.8626 8.8626 8.9254 8.9254 8.9301 8.9301 9.0160 9.0160 9.5510 9.5510 9.6437 9.6437 9.6894 9.6894 9.7788 9.7788 9.8841 9.8841 9.9525 9.9525 10.0214 10.0214 10.1269 10.1269 10.2025 10.2025 10.2537 10.2537 10.3692 10.3692 10.5236 10.5236 10.8438 10.8438 10.8932 10.8932 11.5214 11.5214 11.6993 11.6993 11.9670 11.9670 12.1322 12.1322 k = 0.0000 0.2580-0.0000 ( 7312 PWs) bands (ev): 1.0907 1.0907 1.5857 1.5857 2.6250 2.6250 2.7347 2.7347 5.4464 5.4464 5.5767 5.5767 6.9038 6.9038 7.3738 7.3738 7.5055 7.5055 7.6335 7.6335 7.6431 7.6431 7.6638 7.6638 7.9803 7.9803 8.0197 8.0197 8.0579 8.0579 8.3952 8.3952 8.8548 8.8548 8.9154 8.9154 8.9395 8.9395 9.0312 9.0312 9.5356 9.5356 9.6605 9.6605 9.6804 9.6804 9.8006 9.8006 9.8608 9.8608 9.9310 9.9310 10.0098 10.0098 10.1076 10.1076 10.2165 10.2165 10.2724 10.2724 10.3551 10.3551 10.5500 10.5500 10.8377 10.8377 10.8987 10.8987 11.4976 11.4976 11.7346 11.7346 11.9409 11.9409 12.1647 12.1647 k = 0.0000 0.2457-0.0000 ( 7318 PWs) bands (ev): 1.0360 1.0360 1.6522 1.6522 2.6100 2.6100 2.7467 2.7467 5.4448 5.4448 5.6084 5.6084 6.8310 6.8310 7.3879 7.3879 7.4872 7.4872 7.6376 7.6376 7.6578 7.6578 7.6842 7.6842 7.9763 7.9763 8.0163 8.0163 8.0233 8.0233 8.4311 8.4311 8.8488 8.8488 8.9033 8.9033 8.9517 8.9517 9.0459 9.0459 9.5198 9.5198 9.6710 9.6710 9.6793 9.6793 9.8237 9.8237 9.8362 9.8362 9.8991 9.8991 10.0066 10.0066 10.0888 10.0888 10.2168 10.2168 10.2882 10.2882 10.3546 10.3546 10.5757 10.5757 10.8336 10.8336 10.9031 10.9031 11.4754 11.4754 11.7714 11.7714 11.9143 11.9143 12.1987 12.1987 k = 0.0000 0.2335-0.0000 ( 7316 PWs) bands (ev): 0.9834 0.9834 1.7190 1.7190 2.5950 2.5950 2.7583 2.7583 5.4461 5.4461 5.6435 5.6435 6.7574 6.7574 7.3862 7.3862 7.4695 7.4695 7.6297 7.6297 7.6921 7.6921 7.7047 7.7047 7.9694 7.9694 7.9802 7.9802 8.0260 8.0260 8.4636 8.4636 8.8450 8.8450 8.8917 8.8917 8.9642 8.9642 9.0598 9.0598 9.5035 9.5035 9.6641 9.6641 9.6968 9.6968 9.8080 9.8080 9.8491 9.8491 9.8659 9.8659 10.0047 10.0047 10.0714 10.0714 10.2019 10.2019 10.3031 10.3031 10.3673 10.3673 10.6002 10.6002 10.8319 10.8319 10.9066 10.9066 11.4547 11.4547 11.8091 11.8091 11.8875 11.8875 12.2333 12.2333 k = 0.0000 0.2212-0.0000 ( 7315 PWs) bands (ev): 0.9330 0.9330 1.7858 1.7858 2.5799 2.5799 2.7698 2.7698 5.4501 5.4501 5.6817 5.6817 6.6835 6.6835 7.3733 7.3733 7.4523 7.4523 7.6182 7.6182 7.7249 7.7249 7.7325 7.7325 7.9342 7.9342 7.9764 7.9764 8.0276 8.0276 8.4916 8.4916 8.8439 8.8439 8.8806 8.8806 8.9771 8.9771 9.0727 9.0727 9.4866 9.4866 9.6569 9.6569 9.7146 9.7146 9.7805 9.7805 9.8284 9.8284 9.8798 9.8798 10.0014 10.0014 10.0561 10.0561 10.1771 10.1771 10.3186 10.3186 10.3860 10.3860 10.6229 10.6229 10.8325 10.8325 10.9101 10.9101 11.4353 11.4353 11.8448 11.8448 11.8634 11.8634 12.2664 12.2665 k = 0.0000 0.2089-0.0000 ( 7317 PWs) bands (ev): 0.8848 0.8848 1.8522 1.8522 2.5650 2.5650 2.7811 2.7811 5.4566 5.4566 5.7230 5.7230 6.6097 6.6097 7.3532 7.3532 7.4356 7.4356 7.6034 7.6034 7.7452 7.7452 7.7722 7.7722 7.8962 7.8962 7.9816 7.9816 8.0281 8.0281 8.5145 8.5145 8.8455 8.8455 8.8705 8.8705 8.9902 8.9902 9.0842 9.0842 9.4691 9.4691 9.6493 9.6493 9.7253 9.7253 9.7591 9.7591 9.7962 9.7962 9.9089 9.9089 9.9959 9.9959 10.0438 10.0438 10.1472 10.1472 10.3349 10.3349 10.4065 10.4065 10.6431 10.6431 10.8355 10.8355 10.9144 10.9144 11.4172 11.4172 11.8302 11.8302 11.8904 11.8904 12.2871 12.2876 k = 0.0000 0.1966-0.0000 ( 7325 PWs) bands (ev): 0.8390 0.8390 1.9179 1.9179 2.5502 2.5502 2.7924 2.7924 5.4655 5.4655 5.7670 5.7670 6.5364 6.5364 7.3289 7.3289 7.4196 7.4196 7.5850 7.5850 7.7653 7.7653 7.8060 7.8060 7.8595 7.8595 7.9952 7.9952 8.0274 8.0274 8.5318 8.5318 8.8470 8.8470 8.8643 8.8643 9.0035 9.0035 9.0939 9.0939 9.4509 9.4509 9.6409 9.6409 9.7074 9.7074 9.7621 9.7621 9.7704 9.7704 9.9389 9.9389 9.9885 9.9885 10.0347 10.0347 10.1153 10.1153 10.3517 10.3517 10.4267 10.4267 10.6603 10.6603 10.8407 10.8407 10.9203 10.9203 11.4001 11.4001 11.8031 11.8031 11.9307 11.9307 12.2451 12.2451 k = 0.0000 0.1843-0.0000 ( 7335 PWs) bands (ev): 0.7955 0.7955 1.9823 1.9823 2.5358 2.5358 2.8038 2.8038 5.4764 5.4764 5.8134 5.8134 6.4642 6.4642 7.3018 7.3018 7.4043 7.4043 7.5632 7.5632 7.7850 7.7850 7.8236 7.8236 7.8304 7.8304 8.0199 8.0199 8.0256 8.0256 8.5434 8.5434 8.8411 8.8411 8.8691 8.8691 9.0174 9.0174 9.1015 9.1015 9.4317 9.4317 9.6311 9.6311 9.6782 9.6782 9.7376 9.7376 9.7870 9.7870 9.9676 9.9676 9.9805 9.9805 10.0293 10.0293 10.0833 10.0833 10.3690 10.3690 10.4460 10.4460 10.6738 10.6738 10.8477 10.8477 10.9286 10.9286 11.3841 11.3841 11.7758 11.7758 11.9717 11.9717 12.1991 12.1991 k = 0.0000 0.1720-0.0000 ( 7341 PWs) bands (ev): 0.7546 0.7546 2.0451 2.0451 2.5218 2.5218 2.8156 2.8156 5.4891 5.4891 5.8616 5.8616 6.3940 6.3940 7.2732 7.2732 7.3898 7.3898 7.5378 7.5378 7.7904 7.7904 7.8049 7.8049 7.8426 7.8426 8.0226 8.0226 8.0556 8.0556 8.5497 8.5497 8.8308 8.8308 8.8810 8.8810 9.0317 9.0317 9.1066 9.1066 9.4117 9.4117 9.6194 9.6194 9.6486 9.6486 9.7126 9.7126 9.8086 9.8086 9.9732 9.9732 9.9865 9.9865 10.0309 10.0309 10.0561 10.0561 10.3867 10.3867 10.4642 10.4642 10.6834 10.6834 10.8564 10.8564 10.9399 10.9399 11.3689 11.3689 11.7491 11.7491 12.0129 12.0129 12.1545 12.1545 k = 0.0000 0.1597-0.0000 ( 7339 PWs) bands (ev): 0.7161 0.7161 2.1057 2.1057 2.5083 2.5083 2.8278 2.8278 5.5033 5.5033 5.9103 5.9103 6.3273 6.3273 7.2437 7.2437 7.3760 7.3760 7.5088 7.5088 7.7590 7.7590 7.8236 7.8236 7.8475 7.8475 8.0187 8.0187 8.0989 8.0989 8.5516 8.5516 8.8193 8.8193 8.8962 8.8962 9.0464 9.0464 9.1092 9.1092 9.3908 9.3908 9.6057 9.6057 9.6207 9.6207 9.6902 9.6902 9.8308 9.8308 9.9676 9.9676 9.9816 9.9816 10.0247 10.0247 10.0618 10.0618 10.4052 10.4052 10.4812 10.4812 10.6892 10.6892 10.8663 10.8663 10.9540 10.9540 11.3545 11.3545 11.7231 11.7231 12.0539 12.0539 12.1121 12.1121 k = 0.0000 0.1474-0.0000 ( 7351 PWs) bands (ev): 0.6803 0.6803 2.1635 2.1635 2.4954 2.4954 2.8407 2.8407 5.5187 5.5187 5.9567 5.9567 6.2671 6.2671 7.2140 7.2140 7.3631 7.3631 7.4761 7.4761 7.7295 7.7295 7.8412 7.8412 7.8483 7.8483 8.0140 8.0140 8.1464 8.1464 8.5500 8.5500 8.8073 8.8073 8.9128 8.9128 9.0618 9.0618 9.1089 9.1089 9.3689 9.3689 9.5893 9.5893 9.5959 9.5959 9.6704 9.6704 9.8528 9.8528 9.9575 9.9575 9.9652 9.9652 10.0141 10.0141 10.0912 10.0912 10.4246 10.4246 10.4970 10.4970 10.6918 10.6918 10.8771 10.8771 10.9706 10.9706 11.3407 11.3407 11.6980 11.6980 12.0718 12.0718 12.0945 12.0945 k = 0.0000 0.1352-0.0000 ( 7345 PWs) bands (ev): 0.6472 0.6472 2.2180 2.2180 2.4832 2.4832 2.8545 2.8545 5.5351 5.5351 5.9936 5.9936 6.2210 6.2210 7.1845 7.1845 7.3511 7.3511 7.4397 7.4397 7.7019 7.7019 7.8440 7.8440 7.8607 7.8607 8.0088 8.0088 8.1958 8.1958 8.5459 8.5459 8.7948 8.7948 8.9300 8.9300 9.0777 9.0777 9.1060 9.1060 9.3460 9.3460 9.5696 9.5696 9.5752 9.5752 9.6535 9.6535 9.8739 9.8739 9.9283 9.9283 9.9642 9.9642 10.0081 10.0081 10.1235 10.1235 10.4451 10.4451 10.5119 10.5119 10.6918 10.6918 10.8884 10.8884 10.9891 10.9891 11.3276 11.3276 11.6740 11.6740 12.0343 12.0343 12.1340 12.1340 k = 0.0000 0.1229-0.0000 ( 7353 PWs) bands (ev): 0.6168 0.6168 2.2685 2.2685 2.4717 2.4717 2.8692 2.8692 5.5519 5.5519 6.0051 6.0051 6.2052 6.2052 7.1557 7.1557 7.3400 7.3400 7.3996 7.3996 7.6765 7.6765 7.8400 7.8400 7.8776 7.8776 8.0032 8.0032 8.2455 8.2455 8.5398 8.5398 8.7821 8.7821 8.9468 8.9468 9.0941 9.0941 9.1007 9.1007 9.3223 9.3223 9.5489 9.5489 9.5568 9.5568 9.6394 9.6394 9.8891 9.8891 9.9018 9.9018 9.9658 9.9658 10.0045 10.0045 10.1552 10.1552 10.4666 10.4666 10.5261 10.5261 10.6899 10.6899 10.9001 10.9001 11.0086 11.0086 11.3150 11.3150 11.6514 11.6514 11.9996 11.9996 12.1723 12.1723 k = 0.0000 0.1106-0.0000 ( 7359 PWs) bands (ev): 0.5891 0.5891 2.3145 2.3145 2.4611 2.4611 2.8850 2.8850 5.5689 5.5689 5.9822 5.9822 6.2290 6.2290 7.1280 7.1280 7.3299 7.3299 7.3557 7.3557 7.6532 7.6532 7.8352 7.8352 7.8938 7.8938 7.9974 7.9974 8.2948 8.2948 8.5327 8.5327 8.7693 8.7693 8.9629 8.9629 9.0929 9.0929 9.1116 9.1116 9.2977 9.2977 9.5278 9.5278 9.5406 9.5406 9.6282 9.6282 9.8643 9.8643 9.9132 9.9132 9.9694 9.9694 10.0033 10.0033 10.1850 10.1850 10.4890 10.4890 10.5400 10.5400 10.6867 10.6867 10.9116 10.9116 11.0283 11.0283 11.3031 11.3031 11.6301 11.6301 11.9679 11.9679 12.2088 12.2088 k = 0.0000 0.0983-0.0000 ( 7355 PWs) bands (ev): 0.5643 0.5643 2.3556 2.3556 2.4514 2.4514 2.9016 2.9016 5.5857 5.5857 5.9410 5.9410 6.2767 6.2767 7.1018 7.1018 7.3083 7.3083 7.3208 7.3208 7.6323 7.6323 7.8302 7.8302 7.9090 7.9090 7.9918 7.9918 8.3428 8.3428 8.5250 8.5250 8.7567 8.7567 8.9777 8.9777 9.0840 9.0840 9.1295 9.1295 9.2726 9.2726 9.5055 9.5055 9.5273 9.5273 9.6200 9.6200 9.8346 9.8346 9.9275 9.9275 9.9740 9.9740 10.0053 10.0053 10.2121 10.2121 10.5111 10.5111 10.5547 10.5547 10.6827 10.6827 10.9228 10.9228 11.0478 11.0478 11.2918 11.2918 11.6104 11.6104 11.9393 11.9393 12.2433 12.2433 k = 0.0000 0.0860-0.0000 ( 7353 PWs) bands (ev): 0.5423 0.5423 2.3914 2.3914 2.4427 2.4427 2.9189 2.9189 5.6019 5.6019 5.8954 5.8954 6.3347 6.3347 7.0774 7.0774 7.2575 7.2575 7.3127 7.3127 7.6136 7.6136 7.8253 7.8253 7.9231 7.9231 7.9865 7.9865 8.3888 8.3888 8.5172 8.5172 8.7444 8.7444 8.9910 8.9910 9.0742 9.0742 9.1480 9.1480 9.2473 9.2473 9.4821 9.4821 9.5167 9.5167 9.6146 9.6146 9.8059 9.8059 9.9384 9.9384 9.9784 9.9784 10.0111 10.0111 10.2359 10.2359 10.5310 10.5310 10.5715 10.5715 10.6783 10.6783 10.9333 10.9333 11.0663 11.0663 11.2812 11.2812 11.5924 11.5924 11.9139 11.9139 12.2752 12.2752 k = 0.0000 0.0737-0.0000 ( 7347 PWs) bands (ev): 0.5231 0.5231 2.4218 2.4218 2.4351 2.4351 2.9362 2.9362 5.6170 5.6170 5.8513 5.8513 6.3977 6.3977 7.0552 7.0552 7.2037 7.2037 7.3056 7.3056 7.5974 7.5974 7.8207 7.8207 7.9357 7.9357 7.9817 7.9817 8.4323 8.4323 8.5097 8.5097 8.7328 8.7328 9.0026 9.0026 9.0642 9.0642 9.1672 9.1672 9.2223 9.2223 9.4581 9.4581 9.5086 9.5086 9.6122 9.6122 9.7787 9.7787 9.9460 9.9460 9.9821 9.9821 10.0203 10.0203 10.2561 10.2561 10.5466 10.5466 10.5917 10.5917 10.6739 10.6739 10.9430 10.9430 11.0835 11.0835 11.2716 11.2716 11.5764 11.5764 11.8919 11.8919 12.3041 12.3041 k = 0.0000 0.0614-0.0000 ( 7353 PWs) bands (ev): 0.5069 0.5069 2.4284 2.4284 2.4470 2.4470 2.9529 2.9529 5.6307 5.6307 5.8113 5.8113 6.4631 6.4631 7.0354 7.0354 7.1471 7.1471 7.2996 7.2996 7.5835 7.5835 7.8166 7.8166 7.9466 7.9466 7.9776 7.9776 8.4719 8.4719 8.5033 8.5033 8.7219 8.7219 9.0125 9.0125 9.0548 9.0548 9.1863 9.1863 9.1988 9.1988 9.4337 9.4337 9.5023 9.5023 9.6124 9.6124 9.7531 9.7531 9.9509 9.9509 9.9855 9.9855 10.0310 10.0310 10.2727 10.2727 10.5581 10.5581 10.6141 10.6141 10.6697 10.6697 10.9515 10.9515 11.0987 11.0987 11.2629 11.2629 11.5624 11.5624 11.8733 11.8733 12.3295 12.3295 k = 0.0000 0.0491-0.0000 ( 7353 PWs) bands (ev): 0.4936 0.4936 2.4230 2.4230 2.4670 2.4670 2.9682 2.9682 5.6425 5.6425 5.7769 5.7769 6.5298 6.5298 7.0183 7.0183 7.0887 7.0887 7.2947 7.2947 7.5722 7.5722 7.8131 7.8131 7.9553 7.9553 7.9746 7.9746 8.4934 8.4934 8.5117 8.5117 8.7120 8.7120 9.0205 9.0205 9.0464 9.0464 9.1755 9.1755 9.2077 9.2077 9.4094 9.4094 9.4976 9.4976 9.6155 9.6155 9.7294 9.7294 9.9540 9.9540 9.9889 9.9889 10.0413 10.0413 10.2859 10.2859 10.5666 10.5666 10.6360 10.6360 10.6659 10.6659 10.9588 10.9588 11.1118 11.1118 11.2555 11.2555 11.5507 11.5507 11.8581 11.8581 12.3507 12.3507 k = 0.0000 0.0369-0.0000 ( 7351 PWs) bands (ev): 0.4832 0.4832 2.4188 2.4188 2.4821 2.4821 2.9813 2.9813 5.6522 5.6522 5.7492 5.7492 6.5965 6.5965 7.0018 7.0018 7.0314 7.0314 7.2909 7.2909 7.5633 7.5633 7.8103 7.8103 7.9610 7.9610 7.9735 7.9735 8.4898 8.4898 8.5412 8.5412 8.7032 8.7032 9.0268 9.0268 9.0395 9.0395 9.1563 9.1563 9.2280 9.2280 9.3857 9.3857 9.4943 9.4943 9.6211 9.6211 9.7076 9.7076 9.9558 9.9558 9.9921 9.9921 10.0503 10.0503 10.2959 10.2959 10.5729 10.5729 10.6552 10.6552 10.6628 10.6628 10.9646 10.9646 11.1223 11.1223 11.2495 11.2495 11.5413 11.5413 11.8463 11.8463 12.3663 12.3663 k = 0.0000 0.0246-0.0000 ( 7351 PWs) bands (ev): 0.4758 0.4758 2.4157 2.4157 2.4927 2.4927 2.9912 2.9912 5.6593 5.6593 5.7288 5.7288 6.6614 6.6614 6.9622 6.9622 7.0009 7.0009 7.2881 7.2881 7.5569 7.5569 7.8082 7.8082 7.9630 7.9630 7.9749 7.9749 8.4862 8.4862 8.5654 8.5654 8.6958 8.6958 9.0311 9.0311 9.0344 9.0344 9.1412 9.1412 9.2477 9.2477 9.3635 9.3635 9.4920 9.4920 9.6292 9.6292 9.6881 9.6881 9.9569 9.9569 9.9946 9.9946 10.0570 10.0570 10.3029 10.3029 10.5773 10.5773 10.6601 10.6601 10.6704 10.6704 10.9689 10.9689 11.1300 11.1300 11.2451 11.2451 11.5346 11.5346 11.8379 11.8379 12.3752 12.3752 k = 0.0000 0.0123-0.0000 ( 7333 PWs) bands (ev): 0.4713 0.4713 2.4139 2.4139 2.4989 2.4989 2.9975 2.9975 5.6637 5.6637 5.7164 5.7164 6.7193 6.7193 6.9089 6.9089 6.9931 6.9931 7.2865 7.2865 7.5531 7.5531 7.8070 7.8070 7.9631 7.9631 7.9769 7.9769 8.4839 8.4839 8.5814 8.5814 8.6907 8.6907 9.0311 9.0311 9.0340 9.0340 9.1314 9.1314 9.2648 9.2648 9.3449 9.3449 9.4907 9.4907 9.6393 9.6393 9.6711 9.6711 9.9574 9.9574 9.9962 9.9962 10.0613 10.0613 10.3071 10.3071 10.5799 10.5799 10.6587 10.6587 10.6799 10.6799 10.9715 10.9715 11.1347 11.1347 11.2424 11.2424 11.5305 11.5305 11.8328 11.8328 12.3788 12.3788 k = 0.0000 0.0000 0.0000 ( 7333 PWs) bands (ev): 0.4698 0.4698 2.4132 2.4132 2.5010 2.5010 2.9996 2.9996 5.6651 5.6651 5.7122 5.7122 6.7489 6.7489 6.8805 6.8805 6.9908 6.9908 7.2860 7.2860 7.5518 7.5518 7.8065 7.8065 7.9630 7.9630 7.9777 7.9777 8.4832 8.4832 8.5870 8.5870 8.6888 8.6888 9.0300 9.0300 9.0348 9.0348 9.1281 9.1281 9.2727 9.2727 9.3365 9.3365 9.4902 9.4902 9.6471 9.6471 9.6610 9.6610 9.9575 9.9575 9.9968 9.9968 10.0627 10.0627 10.3085 10.3085 10.5807 10.5807 10.6582 10.6582 10.6832 10.6832 10.9723 10.9723 11.1363 11.1363 11.2415 11.2415 11.5291 11.5291 11.8311 11.8311 12.3796 12.3796 k = 0.0000 0.0000 0.0000 ( 7333 PWs) bands (ev): 0.4698 0.4698 2.4132 2.4132 2.5010 2.5010 2.9996 2.9996 5.6651 5.6651 5.7122 5.7122 6.7489 6.7489 6.8805 6.8805 6.9908 6.9908 7.2860 7.2860 7.5518 7.5518 7.8065 7.8065 7.9630 7.9630 7.9777 7.9777 8.4832 8.4832 8.5870 8.5870 8.6888 8.6888 9.0300 9.0300 9.0348 9.0348 9.1281 9.1281 9.2727 9.2727 9.3365 9.3365 9.4902 9.4902 9.6471 9.6471 9.6610 9.6610 9.9575 9.9575 9.9968 9.9968 10.0627 10.0627 10.3085 10.3085 10.5807 10.5807 10.6582 10.6582 10.6832 10.6832 10.9723 10.9723 11.1363 11.1363 11.2415 11.2415 11.5291 11.5291 11.8311 11.8311 12.3796 12.3796 k = 0.0000 0.0000 0.0124 ( 7329 PWs) bands (ev): 0.4713 0.4713 2.3901 2.3901 2.5219 2.5219 2.9997 2.9997 5.6438 5.6438 5.7382 5.7382 6.7468 6.7468 6.8799 6.8799 6.9895 6.9895 7.2861 7.2861 7.5512 7.5512 7.8077 7.8077 7.9618 7.9618 7.9782 7.9782 8.4829 8.4829 8.5886 8.5886 8.6884 8.6884 9.0297 9.0297 9.0344 9.0344 9.1287 9.1287 9.2750 9.2750 9.3360 9.3360 9.4878 9.4878 9.6447 9.6447 9.6635 9.6635 9.9574 9.9574 9.9965 9.9965 10.0633 10.0633 10.3089 10.3089 10.5584 10.5584 10.6715 10.6715 10.6936 10.6936 10.9699 10.9699 11.1381 11.1381 11.2416 11.2416 11.5261 11.5261 11.8288 11.8288 12.3787 12.3787 k = 0.0000 0.0000 0.0248 ( 7331 PWs) bands (ev): 0.4757 0.4757 2.3449 2.3449 2.5601 2.5601 2.9998 2.9998 5.6131 5.6131 5.7829 5.7829 6.7405 6.7405 6.8780 6.8780 6.9858 6.9858 7.2865 7.2865 7.5494 7.5494 7.8110 7.8110 7.9580 7.9580 7.9799 7.9799 8.4820 8.4820 8.5934 8.5934 8.6871 8.6871 9.0280 9.0280 9.0339 9.0339 9.1304 9.1304 9.2819 9.2819 9.3345 9.3345 9.4809 9.4809 9.6386 9.6386 9.6696 9.6696 9.9571 9.9571 9.9958 9.9958 10.0652 10.0652 10.3104 10.3104 10.5181 10.5181 10.6768 10.6768 10.7326 10.7326 10.9635 10.9635 11.1428 11.1428 11.2418 11.2418 11.5175 11.5175 11.8219 11.8219 12.3753 12.3753 k = 0.0000 0.0000 0.0373 ( 7341 PWs) bands (ev): 0.4830 0.4830 2.2933 2.2933 2.6003 2.6003 3.0000 3.0000 5.5855 5.5855 5.8337 5.8337 6.7300 6.7300 6.8752 6.8752 6.9797 6.9797 7.2871 7.2871 7.5464 7.5464 7.8164 7.8164 7.9511 7.9511 7.9832 7.9832 8.4804 8.4804 8.6014 8.6014 8.6847 8.6847 9.0246 9.0246 9.0344 9.0344 9.1334 9.1334 9.2928 9.2928 9.3322 9.3322 9.4706 9.4706 9.6294 9.6294 9.6777 9.6777 9.9565 9.9565 9.9946 9.9946 10.0686 10.0686 10.3128 10.3128 10.4753 10.4753 10.6787 10.6787 10.7791 10.7791 10.9553 10.9553 11.1487 11.1487 11.2423 11.2423 11.5034 11.5034 11.8105 11.8105 12.3681 12.3682 k = 0.0000 0.0000 0.0497 ( 7333 PWs) bands (ev): 0.4933 0.4933 2.2385 2.2385 2.6394 2.6394 3.0002 3.0002 5.5624 5.5624 5.8889 5.8889 6.7151 6.7151 6.8716 6.8716 6.9715 6.9715 7.2880 7.2880 7.5423 7.5423 7.8236 7.8236 7.9415 7.9415 7.9884 7.9884 8.4782 8.4782 8.6124 8.6124 8.6811 8.6811 9.0200 9.0200 9.0357 9.0357 9.1374 9.1374 9.3066 9.3066 9.3295 9.3295 9.4577 9.4577 9.6170 9.6170 9.6865 9.6865 9.9556 9.9556 9.9930 9.9930 10.0737 10.0737 10.3161 10.3161 10.4330 10.4330 10.6804 10.6804 10.8246 10.8246 10.9493 10.9493 11.1541 11.1541 11.2430 11.2430 11.4848 11.4848 11.7951 11.7951 12.3561 12.3561 k = 0.0000 0.0000 0.0621 ( 7341 PWs) bands (ev): 0.5064 0.5064 2.1813 2.1813 2.6766 2.6766 3.0005 3.0005 5.5442 5.5442 5.9478 5.9478 6.6958 6.6958 6.8678 6.8678 6.9615 6.9615 7.2892 7.2892 7.5372 7.5372 7.8324 7.8324 7.9294 7.9294 7.9951 7.9951 8.4753 8.4753 8.6263 8.6263 8.6757 8.6757 9.0150 9.0150 9.0378 9.0378 9.1426 9.1426 9.3167 9.3167 9.3325 9.3325 9.4434 9.4434 9.6015 9.6015 9.6950 9.6950 9.9544 9.9544 9.9909 9.9909 10.0808 10.0808 10.3202 10.3202 10.3921 10.3921 10.6821 10.6821 10.8610 10.8610 10.9534 10.9534 11.1575 11.1575 11.2439 11.2439 11.4623 11.4623 11.7759 11.7759 12.3397 12.3398 k = 0.0000 0.0000 0.0745 ( 7329 PWs) bands (ev): 0.5224 0.5224 2.1223 2.1223 2.7114 2.7114 3.0008 3.0008 5.5310 5.5310 6.0099 6.0099 6.6721 6.6721 6.8641 6.8641 6.9499 6.9499 7.2907 7.2907 7.5311 7.5311 7.8425 7.8425 7.9153 7.9153 8.0033 8.0033 8.4714 8.4714 8.6427 8.6427 8.6683 8.6683 9.0102 9.0102 9.0406 9.0406 9.1488 9.1488 9.3142 9.3142 9.3497 9.3497 9.4283 9.4283 9.5832 9.5832 9.7024 9.7024 9.9527 9.9527 9.9882 9.9882 10.0905 10.0905 10.3245 10.3245 10.3533 10.3533 10.6835 10.6835 10.8772 10.8772 10.9789 10.9789 11.1583 11.1583 11.2451 11.2451 11.4369 11.4369 11.7535 11.7535 12.3206 12.3206 k = 0.0000 0.0000 0.0870 ( 7327 PWs) bands (ev): 0.5413 0.5413 2.0618 2.0618 2.7439 2.7439 3.0012 3.0012 5.5229 5.5229 6.0745 6.0745 6.6441 6.6441 6.8612 6.8612 6.9370 6.9370 7.2926 7.2926 7.5240 7.5240 7.8536 7.8536 7.8995 7.8995 8.0129 8.0129 8.4665 8.4665 8.6575 8.6575 8.6626 8.6626 9.0060 9.0060 9.0441 9.0441 9.1557 9.1557 9.3077 9.3077 9.3715 9.3715 9.4130 9.4130 9.5624 9.5624 9.7080 9.7080 9.9505 9.9505 9.9850 9.9850 10.1031 10.1031 10.3116 10.3116 10.3342 10.3342 10.6844 10.6844 10.8778 10.8778 11.0203 11.0203 11.1569 11.1569 11.2466 11.2466 11.4093 11.4093 11.7283 11.7283 12.3002 12.3002 k = 0.0000 0.0000 0.0994 ( 7335 PWs) bands (ev): 0.5630 0.5630 2.0001 2.0001 2.7740 2.7740 3.0015 3.0015 5.5197 5.5197 6.1408 6.1408 6.6117 6.6117 6.8598 6.8598 6.9231 6.9231 7.2948 7.2948 7.5162 7.5162 7.8646 7.8646 7.8830 7.8830 8.0239 8.0239 8.4606 8.4606 8.6455 8.6455 8.6829 8.6829 9.0029 9.0029 9.0484 9.0484 9.1631 9.1631 9.2997 9.2997 9.3899 9.3899 9.4035 9.4035 9.5399 9.5399 9.7113 9.7113 9.9477 9.9477 9.9813 9.9813 10.1186 10.1186 10.2765 10.2765 10.3399 10.3399 10.6846 10.6846 10.8735 10.8735 11.0639 11.0639 11.1563 11.1563 11.2484 11.2484 11.3804 11.3804 11.7010 11.7010 12.2801 12.2801 k = 0.0000 0.0000 0.1118 ( 7333 PWs) bands (ev): 0.5875 0.5875 1.9375 1.9375 2.8016 2.8016 3.0018 3.0018 5.5215 5.5215 6.2081 6.2081 6.5754 6.5754 6.8608 6.8608 6.9085 6.9085 7.2974 7.2974 7.5076 7.5076 7.8602 7.8602 7.8812 7.8812 8.0360 8.0360 8.4535 8.4535 8.6299 8.6299 8.7055 8.7055 9.0010 9.0010 9.0532 9.0532 9.1705 9.1705 9.2905 9.2905 9.3792 9.3792 9.4247 9.4247 9.5167 9.5167 9.7122 9.7122 9.9443 9.9443 9.9768 9.9768 10.1368 10.1368 10.2423 10.2423 10.3475 10.3475 10.6838 10.6838 10.8683 10.8683 11.0937 11.0937 11.1685 11.1685 11.2507 11.2507 11.3510 11.3510 11.6720 11.6720 12.2612 12.2612 k = 0.0000 0.0000 0.1242 ( 7321 PWs) bands (ev): 0.6147 0.6147 1.8741 1.8741 2.8269 2.8269 3.0021 3.0021 5.5281 5.5281 6.2751 6.2751 6.5353 6.5353 6.8649 6.8649 6.8936 6.8936 7.3005 7.3005 7.4984 7.4984 7.8408 7.8408 7.8938 7.8938 8.0493 8.0493 8.4452 8.4452 8.6108 8.6108 8.7296 8.7296 9.0005 9.0005 9.0586 9.0586 9.1773 9.1773 9.2801 9.2801 9.3642 9.3642 9.4516 9.4516 9.4943 9.4943 9.7108 9.7108 9.9403 9.9403 9.9717 9.9717 10.1561 10.1561 10.2116 10.2116 10.3562 10.3562 10.6816 10.6816 10.8632 10.8632 11.0968 11.0968 11.2049 11.2049 11.2540 11.2540 11.3216 11.3216 11.6419 11.6419 12.2445 12.2445 k = 0.0000 0.0000 0.1367 ( 7305 PWs) bands (ev): 0.6446 0.6446 1.8102 1.8102 2.8500 2.8500 3.0023 3.0023 5.5395 5.5395 6.3404 6.3404 6.4919 6.4919 6.8714 6.8714 6.8804 6.8804 7.3040 7.3040 7.4887 7.4887 7.8191 7.8191 7.9079 7.9079 8.0637 8.0637 8.4356 8.4356 8.5881 8.5881 8.7545 8.7545 9.0016 9.0016 9.0643 9.0643 9.1825 9.1825 9.2688 9.2688 9.3491 9.3491 9.4702 9.4702 9.4838 9.4838 9.7070 9.7070 9.9358 9.9358 9.9657 9.9657 10.1616 10.1616 10.1991 10.1991 10.3658 10.3658 10.6779 10.6779 10.8578 10.8578 11.0867 11.0867 11.2460 11.2460 11.2648 11.2648 11.2929 11.2929 11.6111 11.6111 12.2308 12.2309 k = 0.0000 0.0000 0.1491 ( 7297 PWs) bands (ev): 0.6772 0.6772 1.7460 1.7460 2.8708 2.8708 3.0023 3.0023 5.5554 5.5554 6.4012 6.4012 6.4466 6.4466 6.8605 6.8605 6.8906 6.8906 7.3080 7.3080 7.4786 7.4786 7.7959 7.7959 7.9229 7.9229 8.0790 8.0790 8.4247 8.4247 8.5617 8.5617 8.7799 8.7799 9.0043 9.0043 9.0700 9.0700 9.1853 9.1853 9.2566 9.2566 9.3344 9.3344 9.4559 9.4559 9.5111 9.5111 9.7011 9.7011 9.9310 9.9310 9.9587 9.9587 10.1381 10.1381 10.2197 10.2197 10.3763 10.3763 10.6726 10.6726 10.8515 10.8515 11.0728 11.0728 11.2552 11.2552 11.2658 11.2658 11.3106 11.3106 11.5802 11.5802 12.2202 12.2209 k = 0.0000 0.0000 0.1615 ( 7289 PWs) bands (ev): 0.7123 0.7123 1.6817 1.6817 2.8896 2.8896 3.0022 3.0022 5.5757 5.5757 6.3948 6.3948 6.4606 6.4606 6.8447 6.8447 6.9134 6.9134 7.3124 7.3124 7.4682 7.4682 7.7709 7.7709 7.9388 7.9388 8.0951 8.0951 8.4125 8.4125 8.5314 8.5314 8.8055 8.8055 9.0086 9.0086 9.0753 9.0753 9.1849 9.1849 9.2437 9.2437 9.3201 9.3201 9.4451 9.4451 9.5409 9.5409 9.6933 9.6933 9.9261 9.9261 9.9506 9.9506 10.1101 10.1101 10.2487 10.2487 10.3879 10.3879 10.6654 10.6654 10.8431 10.8431 11.0588 11.0588 11.2371 11.2371 11.2617 11.2617 11.3634 11.3634 11.5496 11.5496 12.2012 12.2012 k = 0.0000 0.0000 0.1739 ( 7292 PWs) bands (ev): 0.7499 0.7499 1.6176 1.6176 2.9063 2.9063 3.0019 3.0019 5.6002 5.6002 6.3444 6.3444 6.5095 6.5095 6.8284 6.8284 6.9457 6.9457 7.3174 7.3174 7.4577 7.4577 7.7439 7.7439 7.9557 7.9557 8.1120 8.1120 8.3992 8.3992 8.4975 8.4975 8.8307 8.8307 9.0143 9.0143 9.0794 9.0794 9.1814 9.1814 9.2304 9.2304 9.3063 9.3063 9.4406 9.4406 9.5710 9.5710 9.6840 9.6840 9.9213 9.9213 9.9412 9.9412 10.0826 10.0826 10.2808 10.2808 10.4004 10.4004 10.6563 10.6563 10.8312 10.8312 11.0468 11.0468 11.2123 11.2123 11.2659 11.2659 11.4167 11.4167 11.5198 11.5198 12.1675 12.1675 k = 0.0000 0.0000 0.1863 ( 7302 PWs) bands (ev): 0.7901 0.7901 1.5539 1.5539 2.9212 2.9212 3.0013 3.0013 5.6287 5.6287 6.2920 6.2920 6.5508 6.5508 6.8121 6.8121 6.9877 6.9877 7.3229 7.3229 7.4469 7.4469 7.7147 7.7147 7.9739 7.9739 8.1296 8.1296 8.3846 8.3846 8.4601 8.4601 8.8552 8.8552 9.0214 9.0214 9.0816 9.0816 9.1764 9.1764 9.2167 9.2167 9.2930 9.2930 9.4426 9.4426 9.6005 9.6005 9.6737 9.6737 9.9169 9.9169 9.9304 9.9304 10.0565 10.0565 10.3148 10.3148 10.4139 10.4139 10.6455 10.6455 10.8150 10.8150 11.0384 11.0384 11.1888 11.1888 11.2708 11.2708 11.4686 11.4686 11.4924 11.4924 12.1307 12.1307 k = 0.0000 0.0000 0.1988 ( 7290 PWs) bands (ev): 0.8325 0.8325 1.4906 1.4906 2.9344 2.9344 3.0004 3.0004 5.6609 5.6609 6.2384 6.2384 6.5845 6.5845 6.7958 6.7958 7.0386 7.0386 7.3289 7.3289 7.4362 7.4362 7.6828 7.6828 7.9936 7.9936 8.1477 8.1477 8.3688 8.3688 8.4199 8.4199 8.8789 8.8789 9.0295 9.0295 9.0806 9.0806 9.1723 9.1723 9.2029 9.2029 9.2801 9.2801 9.4502 9.4502 9.6264 9.6264 9.6654 9.6654 9.9130 9.9130 9.9183 9.9183 10.0321 10.0321 10.3501 10.3501 10.4286 10.4286 10.6331 10.6331 10.7941 10.7941 11.0340 11.0340 11.1671 11.1671 11.2765 11.2765 11.4622 11.4622 11.5244 11.5244 12.0919 12.0919 k = 0.0000 0.0000 0.2112 ( 7300 PWs) bands (ev): 0.8773 0.8773 1.4281 1.4281 2.9460 2.9460 2.9990 2.9990 5.6967 5.6967 6.1842 6.1842 6.6116 6.6116 6.7796 6.7796 7.0964 7.0964 7.3354 7.3354 7.4255 7.4255 7.6477 7.6477 8.0153 8.0153 8.1662 8.1662 8.3515 8.3515 8.3783 8.3783 8.9016 8.9016 9.0376 9.0376 9.0764 9.0764 9.1707 9.1707 9.1892 9.1892 9.2675 9.2675 9.4621 9.4621 9.6339 9.6339 9.6736 9.6736 9.9030 9.9030 9.9118 9.9118 10.0095 10.0095 10.3860 10.3860 10.4446 10.4446 10.6194 10.6194 10.7687 10.7687 11.0335 11.0335 11.1471 11.1471 11.2831 11.2831 11.4367 11.4367 11.5766 11.5766 12.0512 12.0512 k = 0.0000 0.0000 0.2236 ( 7294 PWs) bands (ev): 0.9243 0.9243 1.3665 1.3665 2.9561 2.9561 2.9973 2.9973 5.7357 5.7357 6.1298 6.1298 6.6339 6.6339 6.7636 6.7636 7.1587 7.1587 7.3424 7.3424 7.4150 7.4150 7.6090 7.6090 8.0392 8.0392 8.1851 8.1851 8.3269 8.3269 8.3418 8.3418 8.9230 8.9230 9.0427 9.0427 9.0725 9.0725 9.1681 9.1681 9.1799 9.1799 9.2552 9.2552 9.4772 9.4772 9.6227 9.6227 9.6987 9.6987 9.8872 9.8872 9.9109 9.9109 9.9890 9.9890 10.4211 10.4211 10.4624 10.4624 10.6049 10.6049 10.7396 10.7396 11.0365 11.0365 11.1287 11.1287 11.2908 11.2908 11.4127 11.4127 11.6283 11.6283 12.0091 12.0091 k = 0.0000 0.0000 0.2360 ( 7288 PWs) bands (ev): 0.9734 0.9734 1.3060 1.3060 2.9648 2.9648 2.9949 2.9949 5.7777 5.7777 6.0756 6.0756 6.6531 6.6531 6.7479 6.7479 7.2231 7.2231 7.3500 7.3500 7.4047 7.4047 7.5661 7.5661 8.0657 8.0657 8.2041 8.2041 8.2868 8.2868 8.3203 8.3203 8.9432 8.9432 9.0388 9.0388 9.0758 9.0758 9.1562 9.1562 9.1827 9.1827 9.2433 9.2433 9.4945 9.4945 9.6070 9.6070 9.7263 9.7263 9.8694 9.8694 9.9122 9.9122 9.9706 9.9706 10.4531 10.4531 10.4832 10.4832 10.5905 10.5905 10.7077 10.7077 11.0421 11.0421 11.1120 11.1120 11.2999 11.2999 11.3906 11.3906 11.6793 11.6793 11.9654 11.9654 k = 0.0000 0.0000 0.2485 ( 7286 PWs) bands (ev): 1.0245 1.0245 1.2466 1.2466 2.9723 2.9723 2.9920 2.9920 5.8224 5.8224 6.0222 6.0222 6.6702 6.6702 6.7323 6.7323 7.2875 7.2875 7.3582 7.3582 7.3946 7.3946 7.5189 7.5189 8.0951 8.0951 8.2218 8.2218 8.2458 8.2458 8.3013 8.3013 8.9623 8.9623 9.0274 9.0274 9.0858 9.0858 9.1417 9.1417 9.1901 9.1901 9.2316 9.2316 9.5131 9.5131 9.5895 9.5895 9.7536 9.7536 9.8496 9.8496 9.9157 9.9157 9.9546 9.9546 10.4787 10.4787 10.5066 10.5066 10.5796 10.5796 10.6740 10.6740 11.0499 11.0499 11.0967 11.0967 11.3104 11.3104 11.3706 11.3706 11.7295 11.7295 11.9205 11.9205 k = 0.0000 0.0000 0.2609 ( 7286 PWs) bands (ev): 1.0775 1.0775 1.1887 1.1887 2.9786 2.9786 2.9884 2.9884 5.8695 5.8695 5.9697 5.9697 6.6862 6.6862 6.7169 6.7169 7.3495 7.3495 7.3673 7.3673 7.3850 7.3850 7.4671 7.4671 8.1276 8.1276 8.2012 8.2012 8.2446 8.2446 8.2824 8.2824 8.9802 8.9802 9.0130 9.0130 9.0985 9.0985 9.1269 9.1269 9.1993 9.1993 9.2203 9.2203 9.5324 9.5324 9.5710 9.5710 9.7798 9.7798 9.8280 9.8280 9.9216 9.9216 9.9410 9.9410 10.4986 10.4986 10.5204 10.5204 10.5826 10.5826 10.6396 10.6396 11.0594 11.0594 11.0829 11.0829 11.3226 11.3226 11.3526 11.3526 11.7788 11.7788 11.8744 11.8744 k = 0.0000 0.0000 0.2733 ( 7282 PWs) bands (ev): 1.1323 1.1323 1.1323 1.1323 2.9839 2.9839 2.9839 2.9839 5.9188 5.9188 5.9188 5.9188 6.7016 6.7016 6.7016 6.7016 7.3748 7.3748 7.3748 7.3748 7.4114 7.4114 7.4114 7.4114 8.1632 8.1632 8.1632 8.1632 8.2633 8.2633 8.2633 8.2633 8.9971 8.9971 8.9971 8.9971 9.1124 9.1124 9.1124 9.1124 9.2095 9.2095 9.2095 9.2095 9.5518 9.5518 9.5518 9.5518 9.8047 9.8047 9.8047 9.8047 9.9300 9.9300 9.9300 9.9300 10.5142 10.5142 10.5142 10.5142 10.6068 10.6068 10.6068 10.6068 11.0705 11.0705 11.0705 11.0705 11.3366 11.3366 11.3366 11.3366 11.8271 11.8271 11.8271 11.8271 k = 0.0000 0.0000 0.2733 ( 7282 PWs) bands (ev): 1.1323 1.1323 1.1323 1.1323 2.9839 2.9839 2.9839 2.9839 5.9188 5.9188 5.9188 5.9188 6.7016 6.7016 6.7016 6.7016 7.3748 7.3748 7.3748 7.3748 7.4114 7.4114 7.4114 7.4114 8.1632 8.1632 8.1632 8.1632 8.2633 8.2633 8.2633 8.2633 8.9971 8.9971 8.9971 8.9971 9.1124 9.1124 9.1124 9.1124 9.2095 9.2095 9.2095 9.2095 9.5518 9.5518 9.5518 9.5518 9.8047 9.8047 9.8047 9.8047 9.9300 9.9300 9.9300 9.9300 10.5142 10.5142 10.5142 10.5142 10.6068 10.6068 10.6068 10.6068 11.0705 11.0705 11.0705 11.0705 11.3366 11.3366 11.3366 11.3366 11.8271 11.8271 11.8271 11.8271 k = 0.0125-0.0000 0.2733 ( 7288 PWs) bands (ev): 1.1337 1.1337 1.1337 1.1337 2.9839 2.9839 2.9840 2.9840 5.9198 5.9198 5.9207 5.9207 6.7021 6.7021 6.7034 6.7034 7.3538 7.3538 7.3606 7.3606 7.4246 7.4246 7.4318 7.4318 8.1471 8.1471 8.1530 8.1530 8.2716 8.2716 8.2795 8.2795 8.9961 8.9961 8.9978 8.9978 9.0922 9.0922 9.1070 9.1070 9.2102 9.2102 9.2318 9.2318 9.5486 9.5486 9.5515 9.5515 9.8051 9.8051 9.8062 9.8062 9.9286 9.9286 9.9304 9.9304 10.5053 10.5053 10.5166 10.5166 10.6057 10.6057 10.6133 10.6133 11.0693 11.0693 11.0698 11.0698 11.3384 11.3384 11.3387 11.3387 11.8221 11.8221 11.8264 11.8264 k = 0.0250-0.0000 0.2733 ( 7296 PWs) bands (ev): 1.1379 1.1379 1.1380 1.1380 2.9837 2.9837 2.9839 2.9839 5.9239 5.9239 5.9256 5.9256 6.7046 6.7046 6.7072 6.7072 7.3246 7.3246 7.3319 7.3319 7.4506 7.4506 7.4588 7.4588 8.1173 8.1173 8.1246 8.1246 8.2961 8.2961 8.3076 8.3076 8.9941 8.9941 8.9984 8.9984 9.0620 9.0620 9.0791 9.0791 9.2303 9.2303 9.2620 9.2620 9.5424 9.5424 9.5481 9.5481 9.8073 9.8073 9.8092 9.8092 9.9262 9.9262 9.9300 9.9300 10.4924 10.4924 10.5120 10.5120 10.6102 10.6102 10.6227 10.6227 11.0662 11.0662 11.0672 11.0672 11.3442 11.3442 11.3444 11.3444 11.8118 11.8118 11.8200 11.8200 k = 0.0375-0.0000 0.2733 ( 7300 PWs) bands (ev): 1.1449 1.1449 1.1452 1.1452 2.9835 2.9835 2.9838 2.9838 5.9310 5.9310 5.9336 5.9336 6.7093 6.7093 6.7132 6.7132 7.2945 7.2945 7.3017 7.3017 7.4760 7.4760 7.4843 7.4843 8.0834 8.0834 8.0903 8.0903 8.3255 8.3255 8.3387 8.3387 8.9880 8.9880 8.9987 8.9987 9.0320 9.0320 9.0433 9.0433 9.2546 9.2546 9.2916 9.2916 9.5350 9.5350 9.5434 9.5434 9.8107 9.8107 9.8127 9.8127 9.9229 9.9229 9.9289 9.9289 10.4780 10.4780 10.5030 10.5030 10.6179 10.6179 10.6327 10.6327 11.0612 11.0612 11.0630 11.0630 11.3535 11.3535 11.3536 11.3536 11.7970 11.7970 11.8085 11.8085 k = 0.0500-0.0000 0.2733 ( 7310 PWs) bands (ev): 1.1548 1.1548 1.1551 1.1551 2.9833 2.9833 2.9837 2.9837 5.9411 5.9411 5.9445 5.9445 6.7159 6.7159 6.7211 6.7211 7.2647 7.2647 7.2717 7.2717 7.4980 7.4980 7.5063 7.5063 8.0495 8.0495 8.0554 8.0554 8.3554 8.3554 8.3697 8.3697 8.9689 8.9689 8.9961 8.9961 9.0078 9.0078 9.0136 9.0136 9.2761 9.2761 9.3162 9.3162 9.5297 9.5297 9.5399 9.5399 9.8143 9.8143 9.8157 9.8157 9.9191 9.9191 9.9275 9.9275 10.4635 10.4635 10.4921 10.4921 10.6259 10.6259 10.6417 10.6417 11.0547 11.0547 11.0571 11.0571 11.3656 11.3656 11.3662 11.3662 11.7790 11.7790 11.7930 11.7930 k = 0.0625-0.0000 0.2733 ( 7304 PWs) bands (ev): 1.1675 1.1675 1.1678 1.1678 2.9829 2.9829 2.9834 2.9834 5.9540 5.9540 5.9582 5.9582 6.7243 6.7243 6.7308 6.7308 7.2357 7.2357 7.2427 7.2427 7.5145 7.5145 7.5225 7.5225 8.0184 8.0184 8.0227 8.0227 8.3846 8.3846 8.3997 8.3997 8.9366 8.9366 8.9636 8.9636 9.0014 9.0014 9.0079 9.0079 9.2914 9.2914 9.3316 9.3316 9.5306 9.5306 9.5403 9.5403 9.8173 9.8173 9.8174 9.8174 9.9150 9.9150 9.9262 9.9262 10.4502 10.4502 10.4812 10.4812 10.6326 10.6326 10.6487 10.6487 11.0466 11.0466 11.0498 11.0498 11.3799 11.3799 11.3814 11.3814 11.7589 11.7589 11.7745 11.7745 k = 0.0750-0.0000 0.2733 ( 7324 PWs) bands (ev): 1.1829 1.1829 1.1834 1.1834 2.9825 2.9825 2.9831 2.9831 5.9698 5.9698 5.9749 5.9749 6.7341 6.7341 6.7419 6.7419 7.2081 7.2081 7.2149 7.2149 7.5230 7.5230 7.5303 7.5303 7.9929 7.9929 7.9952 7.9952 8.4122 8.4122 8.4279 8.4279 8.9001 8.9001 8.9245 8.9245 9.0014 9.0014 9.0061 9.0061 9.2983 9.2983 9.3352 9.3352 9.5408 9.5408 9.5468 9.5468 9.8167 9.8167 9.8193 9.8193 9.9112 9.9112 9.9254 9.9254 10.4384 10.4384 10.4709 10.4709 10.6368 10.6368 10.6533 10.6533 11.0373 11.0373 11.0413 11.0413 11.3953 11.3953 11.3985 11.3985 11.7377 11.7377 11.7541 11.7541 k = 0.0875-0.0000 0.2733 ( 7324 PWs) bands (ev): 1.2011 1.2011 1.2016 1.2016 2.9820 2.9820 2.9827 2.9827 5.9882 5.9882 5.9942 5.9942 6.7450 6.7450 6.7540 6.7540 7.1823 7.1823 7.1891 7.1891 7.5211 7.5211 7.5274 7.5274 7.9757 7.9757 7.9758 7.9758 8.4379 8.4379 8.4539 8.4539 8.8630 8.8630 8.8860 8.8860 9.0015 9.0015 9.0054 9.0054 9.2965 9.2965 9.3277 9.3277 9.5601 9.5601 9.5601 9.5601 9.8136 9.8136 9.8195 9.8195 9.9081 9.9081 9.9253 9.9253 10.4286 10.4286 10.4620 10.4620 10.6382 10.6382 10.6549 10.6549 11.0270 11.0270 11.0319 11.0319 11.4109 11.4109 11.4163 11.4163 11.7165 11.7165 11.7330 11.7330 k = 0.1000-0.0000 0.2733 ( 7318 PWs) bands (ev): 1.2221 1.2221 1.2226 1.2226 2.9813 2.9813 2.9821 2.9821 6.0093 6.0093 6.0162 6.0162 6.7565 6.7565 6.7666 6.7666 7.1587 7.1587 7.1656 7.1656 7.5068 7.5068 7.5119 7.5119 7.9663 7.9663 7.9688 7.9688 8.4610 8.4610 8.4770 8.4770 8.8267 8.8267 8.8490 8.8490 9.0012 9.0012 9.0049 9.0049 9.2878 9.2878 9.3126 9.3126 9.5790 9.5790 9.5851 9.5851 9.8084 9.8084 9.8180 9.8180 9.9058 9.9058 9.9258 9.9258 10.4208 10.4208 10.4545 10.4545 10.6364 10.6364 10.6534 10.6534 11.0159 11.0159 11.0218 11.0218 11.4252 11.4252 11.4336 11.4336 11.6966 11.6966 11.7122 11.7122 k = 0.1125-0.0000 0.2733 ( 7322 PWs) bands (ev): 1.2457 1.2457 1.2463 1.2463 2.9804 2.9804 2.9814 2.9814 6.0329 6.0329 6.0406 6.0406 6.7676 6.7676 6.7787 6.7787 7.1381 7.1381 7.1452 7.1452 7.4801 7.4801 7.4841 7.4841 7.9674 7.9674 7.9723 7.9723 8.4807 8.4807 8.4961 8.4961 8.7922 8.7922 8.8147 8.8147 9.0005 9.0005 9.0043 9.0043 9.2745 9.2745 9.2934 9.2934 9.6011 9.6011 9.6126 9.6126 9.8015 9.8015 9.8153 9.8153 9.9046 9.9046 9.9269 9.9269 10.4148 10.4148 10.4483 10.4483 10.6313 10.6313 10.6488 10.6488 11.0043 11.0043 11.0113 11.0113 11.4365 11.4365 11.4488 11.4488 11.6792 11.6792 11.6929 11.6929 k = 0.1250-0.0000 0.2733 ( 7310 PWs) bands (ev): 1.2719 1.2719 1.2726 1.2726 2.9794 2.9794 2.9805 2.9805 6.0587 6.0587 6.0673 6.0673 6.7774 6.7774 6.7894 6.7894 7.1211 7.1211 7.1286 7.1286 7.4428 7.4428 7.4460 7.4460 7.9778 7.9778 7.9848 7.9848 8.4958 8.4958 8.5099 8.5099 8.7612 8.7612 8.7847 8.7847 8.9992 8.9992 9.0034 9.0034 9.2587 9.2587 9.2724 9.2724 9.6245 9.6245 9.6399 9.6399 9.7936 9.7936 9.8122 9.8122 9.9045 9.9045 9.9286 9.9286 10.4105 10.4105 10.4433 10.4433 10.6230 10.6230 10.6411 10.6411 10.9925 10.9925 11.0007 11.0007 11.4430 11.4430 11.4598 11.4598 11.6657 11.6657 11.6767 11.6767 k = 0.1375-0.0000 0.2733 ( 7314 PWs) bands (ev): 1.3008 1.3008 1.3015 1.3015 2.9782 2.9782 2.9794 2.9794 6.0865 6.0865 6.0960 6.0960 6.7845 6.7845 6.7971 6.7971 7.1084 7.1084 7.1167 7.1167 7.3977 7.3977 7.4005 7.4005 7.9954 7.9954 8.0040 8.0040 8.5041 8.5041 8.5163 8.5163 8.7358 8.7358 8.7612 8.7612 8.9972 8.9972 9.0018 9.0018 9.2422 9.2422 9.2514 9.2514 9.6471 9.6471 9.6644 9.6644 9.7855 9.7855 9.8100 9.8100 9.9057 9.9057 9.9310 9.9310 10.4074 10.4074 10.4391 10.4391 10.6118 10.6118 10.6305 10.6305 10.9806 10.9806 10.9901 10.9901 11.4431 11.4431 11.4646 11.4646 11.6572 11.6572 11.6651 11.6651 k = 0.1500-0.0000 0.2733 ( 7316 PWs) bands (ev): 1.3321 1.3321 1.3329 1.3329 2.9768 2.9768 2.9781 2.9781 6.1160 6.1160 6.1264 6.1264 6.7875 6.7875 6.8003 6.8003 7.1009 7.1009 7.1101 7.1101 7.3482 7.3482 7.3507 7.3507 8.0181 8.0181 8.0281 8.0281 8.5034 8.5034 8.5131 8.5131 8.7184 8.7184 8.7464 8.7464 8.9943 8.9943 8.9996 8.9996 9.2261 9.2261 9.2313 9.2313 9.6671 9.6671 9.6840 9.6840 9.7782 9.7782 9.8097 9.8097 9.9089 9.9089 9.9344 9.9344 10.4052 10.4052 10.4354 10.4354 10.5977 10.5977 10.6170 10.6170 10.9689 10.9689 10.9797 10.9797 11.4360 11.4360 11.4617 11.4617 11.6536 11.6536 11.6589 11.6589 k = 0.1625-0.0000 0.2733 ( 7312 PWs) bands (ev): 1.3660 1.3660 1.3667 1.3667 2.9751 2.9751 2.9765 2.9765 6.1467 6.1467 6.1581 6.1581 6.7847 6.7847 6.7975 6.7975 7.0983 7.0983 7.1086 7.1086 7.2980 7.2980 7.3003 7.3003 8.0443 8.0443 8.0555 8.0555 8.4924 8.4924 8.4997 8.4997 8.7105 8.7105 8.7410 8.7410 8.9906 8.9906 8.9967 8.9967 9.2114 9.2114 9.2131 9.2131 9.6826 9.6826 9.6971 9.6971 9.7728 9.7728 9.8121 9.8121 9.9148 9.9148 9.9392 9.9392 10.4033 10.4033 10.4318 10.4318 10.5812 10.5812 10.6010 10.6010 10.9574 10.9574 10.9698 10.9698 11.4225 11.4225 11.4512 11.4512 11.6541 11.6541 11.6578 11.6578 k = 0.1750-0.0000 0.2733 ( 7302 PWs) bands (ev): 1.4022 1.4022 1.4030 1.4030 2.9732 2.9732 2.9747 2.9747 6.1781 6.1781 6.1903 6.1903 6.7751 6.7751 6.7877 6.7877 7.0986 7.0986 7.1096 7.1096 7.2527 7.2527 7.2540 7.2540 8.0729 8.0729 8.0849 8.0849 8.4722 8.4722 8.4778 8.4778 8.7110 8.7110 8.7435 8.7435 8.9863 8.9863 8.9930 8.9930 9.1970 9.1970 9.1984 9.1984 9.6919 9.6919 9.7035 9.7035 9.7706 9.7706 9.8161 9.8161 9.9244 9.9244 9.9459 9.9459 10.4013 10.4013 10.4279 10.4279 10.5626 10.5626 10.5828 10.5828 10.9464 10.9464 10.9604 10.9604 11.4038 11.4038 11.4342 11.4342 11.6569 11.6569 11.6600 11.6600 k = 0.1875-0.0000 0.2733 ( 7298 PWs) bands (ev): 1.4407 1.4407 1.4415 1.4415 2.9709 2.9709 2.9726 2.9726 6.2090 6.2090 6.2222 6.2222 6.7584 6.7584 6.7706 6.7706 7.0961 7.0961 7.1052 7.1052 7.2198 7.2198 7.2218 7.2218 8.1030 8.1030 8.1156 8.1156 8.4455 8.4455 8.4501 8.4501 8.7173 8.7173 8.7511 8.7511 8.9817 8.9817 8.9889 8.9889 9.1833 9.1833 9.1873 9.1873 9.6947 9.6947 9.7048 9.7048 9.7713 9.7713 9.8197 9.8197 9.9380 9.9380 9.9546 9.9546 10.3987 10.3987 10.4230 10.4230 10.5422 10.5422 10.5628 10.5628 10.9359 10.9359 10.9517 10.9517 11.3814 11.3814 11.4127 11.4127 11.6603 11.6603 11.6635 11.6635 k = 0.2000-0.0000 0.2733 ( 7300 PWs) bands (ev): 1.4815 1.4815 1.4823 1.4823 2.9684 2.9684 2.9702 2.9702 6.2380 6.2380 6.2521 6.2521 6.7351 6.7351 6.7471 6.7471 7.0821 7.0821 7.0865 7.0865 7.2079 7.2079 7.2159 7.2159 8.1339 8.1339 8.1468 8.1468 8.4150 8.4150 8.4190 8.4190 8.7267 8.7267 8.7615 8.7615 8.9773 8.9773 8.9846 8.9846 9.1721 9.1721 9.1782 9.1782 9.6929 9.6929 9.7029 9.7029 9.7733 9.7733 9.8215 9.8215 9.9549 9.9549 9.9652 9.9652 10.3949 10.3949 10.4167 10.4167 10.5205 10.5205 10.5412 10.5412 10.9260 10.9260 10.9436 10.9436 11.3564 11.3564 11.3879 11.3879 11.6632 11.6632 11.6669 11.6669 k = 0.2125-0.0000 0.2733 ( 7300 PWs) bands (ev): 1.5244 1.5244 1.5252 1.5252 2.9655 2.9655 2.9674 2.9674 6.2626 6.2626 6.2775 6.2775 6.7074 6.7074 6.7191 6.7191 7.0577 7.0577 7.0582 7.0582 7.2176 7.2176 7.2307 7.2307 8.1652 8.1652 8.1781 8.1781 8.3826 8.3826 8.3864 8.3864 8.7373 8.7373 8.7727 8.7727 8.9738 8.9738 8.9807 8.9807 9.1630 9.1630 9.1708 9.1708 9.6885 9.6885 9.6994 9.6994 9.7748 9.7748 9.8211 9.8211 9.9738 9.9738 9.9773 9.9773 10.3896 10.3896 10.4084 10.4084 10.4982 10.4982 10.5185 10.5185 10.9167 10.9167 10.9362 10.9362 11.3295 11.3295 11.3609 11.3609 11.6648 11.6648 11.6691 11.6691 k = 0.2250-0.0000 0.2733 ( 7316 PWs) bands (ev): 1.5694 1.5694 1.5702 1.5702 2.9622 2.9622 2.9642 2.9642 6.2788 6.2788 6.2942 6.2942 6.6798 6.6798 6.6911 6.6911 7.0302 7.0302 7.0322 7.0322 7.2399 7.2399 7.2562 7.2562 8.1965 8.1965 8.2086 8.2086 8.3497 8.3497 8.3539 8.3539 8.7479 8.7479 8.7836 8.7836 8.9719 8.9719 8.9779 8.9779 9.1557 9.1557 9.1649 9.1649 9.6830 9.6830 9.6953 9.6953 9.7747 9.7747 9.8189 9.8189 9.9902 9.9902 9.9931 9.9931 10.3822 10.3822 10.3973 10.3973 10.4758 10.4758 10.4952 10.4952 10.9081 10.9081 10.9295 10.9295 11.3014 11.3014 11.3325 11.3325 11.6648 11.6648 11.6697 11.6697 k = 0.2375-0.0000 0.2733 ( 7312 PWs) bands (ev): 1.6162 1.6162 1.6170 1.6170 2.9585 2.9585 2.9607 2.9607 6.2812 6.2812 6.2961 6.2961 6.6591 6.6591 6.6695 6.6695 7.0066 7.0066 7.0106 7.0106 7.2689 7.2689 7.2875 7.2875 8.2271 8.2271 8.2363 8.2363 8.3176 8.3176 8.3241 8.3241 8.7577 8.7577 8.7932 8.7932 8.9723 8.9723 8.9768 8.9768 9.1500 9.1500 9.1600 9.1600 9.6775 9.6775 9.6912 9.6912 9.7729 9.7729 9.8152 9.8152 10.0031 10.0031 10.0119 10.0119 10.3724 10.3724 10.3830 10.3830 10.4541 10.4541 10.4715 10.4715 10.9001 10.9001 10.9233 10.9233 11.2725 11.2725 11.3031 11.3031 11.6633 11.6633 11.6687 11.6687 k = 0.2500-0.0000 0.2733 ( 7312 PWs) bands (ev): 1.6649 1.6649 1.6656 1.6656 2.9544 2.9544 2.9567 2.9567 6.2644 6.2644 6.2778 6.2778 6.6520 6.6520 6.6610 6.6610 6.9884 6.9884 6.9943 6.9943 7.3018 7.3018 7.3221 7.3221 8.2511 8.2511 8.2529 8.2529 8.2905 8.2905 8.3073 8.3073 8.7662 8.7662 8.8010 8.8010 8.9755 8.9755 8.9778 8.9778 9.1453 9.1453 9.1560 9.1560 9.6723 9.6723 9.6875 9.6875 9.7695 9.7695 9.8105 9.8105 10.0152 10.0152 10.0290 10.0290 10.3599 10.3599 10.3650 10.3650 10.4334 10.4334 10.4480 10.4480 10.8927 10.8927 10.9178 10.9178 11.2430 11.2430 11.2732 11.2732 11.6607 11.6607 11.6664 11.6664 k = 0.2625-0.0000 0.2733 ( 7326 PWs) bands (ev): 1.7152 1.7152 1.7158 1.7158 2.9499 2.9499 2.9523 2.9523 6.2275 6.2275 6.2388 6.2388 6.6604 6.6604 6.6678 6.6678 6.9753 6.9753 6.9836 6.9836 7.3370 7.3370 7.3588 7.3588 8.2364 8.2364 8.2447 8.2447 8.2980 8.2980 8.3203 8.3203 8.7731 8.7731 8.8070 8.8070 8.9814 8.9814 8.9817 8.9817 9.1415 9.1415 9.1525 9.1525 9.6677 9.6677 9.6841 9.6841 9.7648 9.7648 9.8049 9.8049 10.0258 10.0258 10.0438 10.0438 10.3436 10.3436 10.3444 10.3444 10.4135 10.4135 10.4247 10.4247 10.8859 10.8859 10.9127 10.9127 11.2132 11.2132 11.2429 11.2429 11.6573 11.6573 11.6632 11.6632 k = 0.2750-0.0000 0.2733 ( 7314 PWs) bands (ev): 1.7670 1.7670 1.7675 1.7675 2.9448 2.9448 2.9474 2.9474 6.1741 6.1741 6.1834 6.1834 6.6805 6.6805 6.6874 6.6874 6.9670 6.9670 6.9785 6.9785 7.3738 7.3738 7.3968 7.3968 8.2094 8.2094 8.2170 8.2170 8.3258 8.3258 8.3461 8.3461 8.7786 8.7786 8.8114 8.8114 8.9876 8.9876 8.9908 8.9908 9.1381 9.1381 9.1492 9.1492 9.6637 9.6637 9.6813 9.6813 9.7591 9.7591 9.7988 9.7988 10.0345 10.0345 10.0559 10.0559 10.3198 10.3198 10.3263 10.3263 10.3940 10.3940 10.4017 10.4017 10.8796 10.8796 10.9080 10.9080 11.1834 11.1834 11.2125 11.2125 11.6537 11.6537 11.6597 11.6597 k = 0.2875-0.0000 0.2733 ( 7318 PWs) bands (ev): 1.8201 1.8201 1.8206 1.8206 2.9393 2.9393 2.9421 2.9421 6.1095 6.1095 6.1173 6.1173 6.7072 6.7072 6.7150 6.7150 6.9637 6.9637 6.9789 6.9789 7.4113 7.4113 7.4352 7.4352 8.1808 8.1808 8.1887 8.1887 8.3551 8.3551 8.3741 8.3741 8.7829 8.7829 8.8146 8.8146 8.9963 8.9963 9.0024 9.0024 9.1351 9.1351 9.1461 9.1461 9.6602 9.6602 9.6788 9.6788 9.7528 9.7528 9.7924 9.7924 10.0409 10.0409 10.0646 10.0646 10.2944 10.2944 10.3058 10.3058 10.3740 10.3740 10.3788 10.3788 10.8738 10.8738 10.9035 10.9035 11.1537 11.1537 11.1823 11.1823 11.6506 11.6506 11.6565 11.6565 k = 0.3000-0.0000 0.2733 ( 7312 PWs) bands (ev): 1.8744 1.8744 1.8747 1.8747 2.9332 2.9332 2.9361 2.9361 6.0380 6.0380 6.0447 6.0447 6.7360 6.7360 6.7460 6.7460 6.9655 6.9655 6.9856 6.9856 7.4491 7.4491 7.4735 7.4735 8.1528 8.1528 8.1615 8.1615 8.3841 8.3841 8.4019 8.4019 8.7867 8.7867 8.8175 8.8175 9.0070 9.0070 9.0160 9.0160 9.1322 9.1322 9.1429 9.1429 9.6568 9.6568 9.6764 9.6764 9.7465 9.7465 9.7860 9.7860 10.0446 10.0446 10.0697 10.0697 10.2685 10.2685 10.2837 10.2837 10.3532 10.3532 10.3556 10.3556 10.8684 10.8684 10.8992 10.8992 11.1245 11.1245 11.1525 11.1525 11.6485 11.6485 11.6542 11.6542 k = 0.3125-0.0000 0.2733 ( 7296 PWs) bands (ev): 1.9295 1.9295 1.9298 1.9298 2.9265 2.9265 2.9296 2.9296 5.9626 5.9626 5.9686 5.9686 6.7636 6.7636 6.7768 6.7768 6.9735 6.9735 6.9989 6.9989 7.4865 7.4865 7.5112 7.5112 8.1260 8.1260 8.1360 8.1360 8.4123 8.4123 8.4290 8.4290 8.7902 8.7902 8.8204 8.8204 9.0196 9.0196 9.0312 9.0312 9.1294 9.1294 9.1396 9.1396 9.6531 9.6531 9.6736 9.6736 9.7406 9.7406 9.7801 9.7801 10.0454 10.0454 10.0708 10.0708 10.2427 10.2427 10.2607 10.2607 10.3313 10.3313 10.3319 10.3319 10.8633 10.8633 10.8950 10.8950 11.0959 11.0959 11.1234 11.1234 11.6479 11.6479 11.6533 11.6533 k = 0.3250-0.0000 0.2733 ( 7302 PWs) bands (ev): 1.9855 1.9855 1.9855 1.9855 2.9192 2.9192 2.9224 2.9224 5.8855 5.8855 5.8909 5.8909 6.7878 6.7878 6.8043 6.8043 6.9888 6.9888 7.0195 7.0195 7.5231 7.5231 7.5478 7.5478 8.1009 8.1009 8.1123 8.1123 8.4396 8.4396 8.4550 8.4550 8.7942 8.7942 8.8239 8.8239 9.0335 9.0335 9.0473 9.0473 9.1265 9.1265 9.1360 9.1360 9.6483 9.6483 9.6698 9.6698 9.7360 9.7360 9.7752 9.7752 10.0432 10.0432 10.0677 10.0677 10.2178 10.2178 10.2373 10.2373 10.3074 10.3074 10.3082 10.3082 10.8586 10.8586 10.8908 10.8908 11.0681 11.0681 11.0951 11.0951 11.6490 11.6490 11.6540 11.6540 k = 0.3375-0.0000 0.2733 ( 7312 PWs) bands (ev): 2.0418 2.0418 2.0418 2.0418 2.9112 2.9112 2.9145 2.9145 5.8082 5.8082 5.8132 5.8132 6.8076 6.8076 6.8264 6.8264 7.0120 7.0120 7.0467 7.0467 7.5585 7.5585 7.5828 7.5828 8.0775 8.0775 8.0906 8.0906 8.4657 8.4657 8.4797 8.4797 8.7989 8.7989 8.8284 8.8284 9.0483 9.0483 9.0643 9.0643 9.1237 9.1237 9.1322 9.1322 9.6416 9.6416 9.6644 9.6644 9.7335 9.7335 9.7720 9.7720 10.0380 10.0380 10.0603 10.0603 10.1942 10.1942 10.2140 10.2140 10.2822 10.2822 10.2842 10.2842 10.8542 10.8542 10.8866 10.8866 11.0413 11.0413 11.0678 11.0678 11.6520 11.6520 11.6567 11.6567 k = 0.3500-0.0000 0.2733 ( 7300 PWs) bands (ev): 2.0981 2.0981 2.0984 2.0984 2.9023 2.9023 2.9058 2.9058 5.7318 5.7318 5.7364 5.7364 6.8231 6.8231 6.8428 6.8428 7.0424 7.0424 7.0794 7.0794 7.5922 7.5922 7.6158 7.6158 8.0560 8.0560 8.0709 8.0709 8.4904 8.4904 8.5029 8.5029 8.8047 8.8047 8.8341 8.8341 9.0635 9.0635 9.0817 9.0817 9.1213 9.1213 9.1283 9.1283 9.6324 9.6324 9.6565 9.6565 9.7338 9.7338 9.7709 9.7709 10.0302 10.0302 10.0490 10.0490 10.1722 10.1722 10.1910 10.1910 10.2567 10.2567 10.2596 10.2596 10.8501 10.8501 10.8825 10.8825 11.0158 11.0158 11.0417 11.0417 11.6571 11.6571 11.6613 11.6613 k = 0.3625-0.0000 0.2733 ( 7292 PWs) bands (ev): 2.1544 2.1544 2.1549 2.1549 2.8925 2.8925 2.8962 2.8962 5.6574 5.6574 5.6617 5.6617 6.8353 6.8353 6.8546 6.8546 7.0778 7.0778 7.1157 7.1157 7.6240 7.6240 7.6465 7.6465 8.0366 8.0366 8.0533 8.0533 8.5135 8.5135 8.5243 8.5243 8.8119 8.8119 8.8411 8.8411 9.0782 9.0782 9.0991 9.0991 9.1199 9.1199 9.1246 9.1246 9.6206 9.6206 9.6459 9.6459 9.7369 9.7369 9.7725 9.7725 10.0199 10.0199 10.0345 10.0345 10.1514 10.1514 10.1683 10.1683 10.2311 10.2311 10.2347 10.2347 10.8463 10.8463 10.8783 10.8783 10.9918 10.9918 11.0172 11.0172 11.6641 11.6641 11.6679 11.6679 k = 0.3750-0.0000 0.2733 ( 7294 PWs) bands (ev): 2.2103 2.2103 2.2111 2.2111 2.8817 2.8817 2.8855 2.8855 5.5858 5.5858 5.5898 5.5898 6.8451 6.8451 6.8632 6.8632 7.1161 7.1161 7.1539 7.1539 7.6535 7.6535 7.6745 7.6745 8.0192 8.0192 8.0377 8.0377 8.5347 8.5347 8.5438 8.5438 8.8207 8.8207 8.8493 8.8493 9.0898 9.0898 9.1127 9.1127 9.1220 9.1220 9.1247 9.1247 9.6061 9.6061 9.6324 9.6324 9.7427 9.7427 9.7765 9.7765 10.0079 10.0079 10.0177 10.0177 10.1315 10.1315 10.1459 10.1459 10.2059 10.2059 10.2101 10.2101 10.8428 10.8428 10.8741 10.8741 10.9695 10.9695 10.9942 10.9942 11.6727 11.6727 11.6760 11.6760 k = 0.3875-0.0000 0.2733 ( 7302 PWs) bands (ev): 2.2655 2.2655 2.2665 2.2665 2.8698 2.8698 2.8737 2.8737 5.5178 5.5178 5.5215 5.5215 6.8530 6.8530 6.8696 6.8696 7.1554 7.1554 7.1925 7.1925 7.6804 7.6804 7.6995 7.6995 8.0039 8.0039 8.0240 8.0240 8.5538 8.5538 8.5613 8.5613 8.8310 8.8310 8.8587 8.8587 9.0948 9.0948 9.1123 9.1123 9.1311 9.1311 9.1389 9.1389 9.5895 9.5895 9.6161 9.6161 9.7509 9.7509 9.7828 9.7828 9.9948 9.9948 10.0000 10.0000 10.1117 10.1117 10.1235 10.1235 10.1817 10.1817 10.1862 10.1862 10.8396 10.8396 10.8700 10.8700 10.9491 10.9491 10.9731 10.9731 11.6826 11.6826 11.6856 11.6856 k = 0.4000-0.0000 0.2733 ( 7298 PWs) bands (ev): 2.3196 2.3196 2.3208 2.3208 2.8565 2.8565 2.8605 2.8605 5.4543 5.4543 5.4577 5.4577 6.8598 6.8598 6.8747 6.8747 7.1943 7.1943 7.2300 7.2300 7.7047 7.7047 7.7217 7.7217 7.9907 7.9907 8.0121 8.0121 8.5708 8.5708 8.5767 8.5767 8.8426 8.8426 8.8690 8.8690 9.0945 9.0945 9.1082 9.1082 9.1459 9.1459 9.1569 9.1569 9.5711 9.5711 9.5976 9.5976 9.7612 9.7612 9.7912 9.7912 9.9812 9.9812 9.9823 9.9823 10.0918 10.0918 10.1011 10.1011 10.1589 10.1589 10.1635 10.1635 10.8367 10.8367 10.8658 10.8658 10.9308 10.9308 10.9540 10.9540 11.6935 11.6935 11.6961 11.6961 k = 0.4125-0.0000 0.2733 ( 7306 PWs) bands (ev): 2.3723 2.3723 2.3738 2.3738 2.8416 2.8416 2.8457 2.8457 5.3960 5.3960 5.3990 5.3990 6.8655 6.8655 6.8787 6.8787 7.2316 7.2316 7.2653 7.2653 7.7262 7.7262 7.7408 7.7408 7.9796 7.9796 8.0017 8.0017 8.5855 8.5855 8.5901 8.5901 8.8552 8.8552 8.8797 8.8797 9.0922 9.0922 9.1038 9.1038 9.1630 9.1630 9.1752 9.1752 9.5514 9.5514 9.5771 9.5771 9.7730 9.7730 9.8011 9.8011 9.9655 9.9655 9.9679 9.9679 10.0717 10.0717 10.0787 10.0787 10.1378 10.1378 10.1422 10.1422 10.8341 10.8341 10.8615 10.8615 10.9149 10.9149 10.9369 10.9369 11.7048 11.7048 11.7070 11.7070 k = 0.4250-0.0000 0.2733 ( 7308 PWs) bands (ev): 2.4232 2.4232 2.4251 2.4251 2.8250 2.8250 2.8292 2.8292 5.3436 5.3436 5.3462 5.3462 6.8706 6.8706 6.8819 6.8819 7.2664 7.2664 7.2976 7.2976 7.7449 7.7449 7.7570 7.7570 7.9706 7.9706 7.9926 7.9926 8.5979 8.5979 8.6015 8.6015 8.8683 8.8683 8.8902 8.8902 9.0894 9.0894 9.0996 9.0996 9.1809 9.1809 9.1934 9.1934 9.5310 9.5310 9.5553 9.5553 9.7862 9.7862 9.8123 9.8123 9.9503 9.9503 9.9554 9.9554 10.0518 10.0518 10.0569 10.0569 10.1184 10.1184 10.1224 10.1224 10.8318 10.8318 10.8570 10.8570 10.9017 10.9017 10.9221 10.9221 11.7160 11.7160 11.7179 11.7179 k = 0.4375-0.0000 0.2733 ( 7302 PWs) bands (ev): 2.4721 2.4721 2.4742 2.4742 2.8065 2.8065 2.8106 2.8106 5.2978 5.2978 5.3001 5.3001 6.8749 6.8749 6.8844 6.8844 7.2979 7.2979 7.3258 7.3258 7.7609 7.7609 7.7704 7.7704 7.9635 7.9635 7.9846 7.9846 8.6082 8.6082 8.6109 8.6109 8.8814 8.8814 8.9002 8.9002 9.0867 9.0867 9.0957 9.0957 9.1990 9.1990 9.2113 9.2113 9.5106 9.5106 9.5329 9.5329 9.8002 9.8002 9.8243 9.8243 9.9370 9.9370 9.9443 9.9443 10.0325 10.0325 10.0361 10.0361 10.1009 10.1009 10.1044 10.1044 10.8299 10.8299 10.8520 10.8520 10.8914 10.8914 10.9094 10.9094 11.7267 11.7267 11.7283 11.7283 k = 0.4500-0.0000 0.2733 ( 7302 PWs) bands (ev): 2.5185 2.5185 2.5210 2.5210 2.7857 2.7857 2.7898 2.7898 5.2593 5.2593 5.2612 5.2612 6.8786 6.8786 6.8863 6.8863 7.3255 7.3255 7.3492 7.3492 7.7741 7.7741 7.7813 7.7813 7.9583 7.9583 7.9773 7.9773 8.6164 8.6164 8.6184 8.6184 8.8935 8.8935 8.9089 8.9089 9.0845 9.0845 9.0922 9.0922 9.2166 9.2166 9.2281 9.2281 9.4910 9.4910 9.5108 9.5108 9.8147 9.8147 9.8366 9.8366 9.9259 9.9259 9.9348 9.9348 10.0144 10.0144 10.0169 10.0169 10.0856 10.0856 10.0885 10.0885 10.8285 10.8285 10.8468 10.8468 10.8840 10.8840 10.8990 10.8990 11.7364 11.7364 11.7377 11.7377 k = 0.4625-0.0000 0.2733 ( 7310 PWs) bands (ev): 2.5623 2.5623 2.5651 2.5651 2.7625 2.7625 2.7666 2.7666 5.2288 5.2288 5.2302 5.2302 6.8817 6.8817 6.8875 6.8875 7.3485 7.3485 7.3672 7.3672 7.7847 7.7847 7.7897 7.7897 7.9550 7.9550 7.9707 7.9707 8.6227 8.6227 8.6241 8.6241 8.9042 8.9042 8.9158 8.9158 9.0830 9.0830 9.0892 9.0892 9.2332 9.2332 9.2433 9.2433 9.4734 9.4734 9.4899 9.4899 9.8289 9.8289 9.8481 9.8481 9.9172 9.9172 9.9269 9.9269 9.9984 9.9984 9.9999 9.9999 10.0728 10.0728 10.0750 10.0750 10.8276 10.8276 10.8415 10.8415 10.8793 10.8793 10.8907 10.8907 11.7445 11.7445 11.7455 11.7455 k = 0.4750-0.0000 0.2733 ( 7298 PWs) bands (ev): 2.6032 2.6032 2.6063 2.6063 2.7366 2.7366 2.7406 2.7406 5.2066 5.2066 5.2076 5.2076 6.8842 6.8842 6.8881 6.8881 7.3664 7.3664 7.3793 7.3793 7.7926 7.7926 7.7957 7.7957 7.9536 7.9536 7.9649 7.9649 8.6272 8.6272 8.6281 8.6281 8.9128 8.9128 8.9206 8.9206 9.0823 9.0823 9.0867 9.0867 9.2476 9.2476 9.2554 9.2554 9.4596 9.4596 9.4718 9.4718 9.8422 9.8422 9.8575 9.8575 9.9115 9.9115 9.9207 9.9207 9.9853 9.9853 9.9862 9.9862 10.0631 10.0631 10.0646 10.0646 10.8274 10.8274 10.8367 10.8367 10.8769 10.8769 10.8844 10.8844 11.7507 11.7507 11.7513 11.7513 k = 0.4875-0.0000 0.2733 ( 7304 PWs) bands (ev): 2.6411 2.6411 2.6444 2.6444 2.7080 2.7080 2.7117 2.7117 5.1933 5.1933 5.1938 5.1938 6.8861 6.8861 6.8881 6.8881 7.3787 7.3787 7.3853 7.3853 7.7976 7.7976 7.7991 7.7991 7.9541 7.9541 7.9599 7.9599 8.6299 8.6299 8.6303 8.6303 8.9189 8.9189 8.9228 8.9228 9.0824 9.0824 9.0847 9.0847 9.2584 9.2584 9.2627 9.2627 9.4516 9.4516 9.4581 9.4581 9.8532 9.8532 9.8622 9.8622 9.9096 9.9096 9.9156 9.9156 9.9765 9.9765 9.9768 9.9768 10.0571 10.0571 10.0579 10.0579 10.8282 10.8282 10.8328 10.8328 10.8763 10.8763 10.8800 10.8800 11.7546 11.7546 11.7549 11.7549 k = 0.5000-0.0000 0.2733 ( 7300 PWs) bands (ev): 2.6744 2.6744 2.6744 2.6744 2.6813 2.6813 2.6813 2.6813 5.1890 5.1890 5.1890 5.1890 6.8874 6.8874 6.8874 6.8874 7.3851 7.3851 7.3851 7.3851 7.7998 7.7998 7.7998 7.7998 7.9563 7.9563 7.9563 7.9563 8.6310 8.6310 8.6310 8.6310 8.9223 8.9223 8.9223 8.9223 9.0832 9.0832 9.0832 9.0832 9.2638 9.2638 9.2638 9.2638 9.4510 9.4510 9.4510 9.4510 9.8605 9.8605 9.8605 9.8605 9.9115 9.9115 9.9115 9.9115 9.9734 9.9734 9.9734 9.9734 10.0553 10.0553 10.0553 10.0553 10.8299 10.8299 10.8299 10.8299 10.8773 10.8773 10.8773 10.8773 11.7560 11.7560 11.7560 11.7560 k = 0.5000-0.0000 0.2733 ( 7300 PWs) bands (ev): 2.6744 2.6744 2.6744 2.6744 2.6813 2.6813 2.6813 2.6813 5.1890 5.1890 5.1890 5.1890 6.8874 6.8874 6.8874 6.8874 7.3851 7.3851 7.3851 7.3851 7.7998 7.7998 7.7998 7.7998 7.9563 7.9563 7.9563 7.9563 8.6310 8.6310 8.6310 8.6310 8.9223 8.9223 8.9223 8.9223 9.0832 9.0832 9.0832 9.0832 9.2638 9.2638 9.2638 9.2638 9.4510 9.4510 9.4510 9.4510 9.8605 9.8605 9.8605 9.8605 9.9115 9.9115 9.9115 9.9115 9.9734 9.9734 9.9734 9.9734 10.0553 10.0553 10.0553 10.0553 10.8299 10.8299 10.8299 10.8299 10.8773 10.8773 10.8773 10.8773 11.7560 11.7560 11.7560 11.7560 k = 0.5000 0.0123 0.2733 ( 7308 PWs) bands (ev): 2.6745 2.6745 2.6745 2.6745 2.6814 2.6814 2.6814 2.6814 5.1898 5.1898 5.1898 5.1898 6.8836 6.8836 6.8836 6.8836 7.3863 7.3863 7.3863 7.3863 7.8003 7.8003 7.8003 7.8003 7.9571 7.9571 7.9571 7.9571 8.6301 8.6301 8.6301 8.6301 8.9233 8.9233 8.9233 8.9233 9.0830 9.0830 9.0830 9.0830 9.2639 9.2639 9.2639 9.2639 9.4511 9.4511 9.4511 9.4511 9.8592 9.8592 9.8592 9.8592 9.9126 9.9126 9.9126 9.9126 9.9730 9.9730 9.9730 9.9730 10.0546 10.0546 10.0546 10.0546 10.8308 10.8308 10.8308 10.8308 10.8782 10.8782 10.8782 10.8782 11.7557 11.7557 11.7557 11.7557 k = 0.5000 0.0246 0.2733 ( 7296 PWs) bands (ev): 2.6749 2.6749 2.6749 2.6749 2.6817 2.6817 2.6817 2.6817 5.1923 5.1923 5.1923 5.1923 6.8725 6.8725 6.8725 6.8725 7.3900 7.3900 7.3900 7.3900 7.8018 7.8018 7.8018 7.8018 7.9596 7.9596 7.9596 7.9596 8.6275 8.6275 8.6275 8.6275 8.9262 8.9262 8.9262 8.9262 9.0824 9.0824 9.0824 9.0824 9.2642 9.2642 9.2642 9.2642 9.4515 9.4515 9.4515 9.4515 9.8558 9.8558 9.8558 9.8558 9.9152 9.9152 9.9152 9.9152 9.9722 9.9722 9.9722 9.9722 10.0527 10.0527 10.0527 10.0527 10.8337 10.8337 10.8337 10.8337 10.8807 10.8807 10.8807 10.8807 11.7549 11.7549 11.7549 11.7549 k = 0.5000 0.0369 0.2733 ( 7296 PWs) bands (ev): 2.6756 2.6756 2.6756 2.6756 2.6823 2.6823 2.6823 2.6823 5.1964 5.1964 5.1964 5.1964 6.8543 6.8543 6.8543 6.8543 7.3962 7.3962 7.3962 7.3962 7.8043 7.8043 7.8043 7.8043 7.9635 7.9635 7.9635 7.9635 8.6233 8.6233 8.6233 8.6233 8.9311 8.9311 8.9311 8.9311 9.0813 9.0813 9.0813 9.0813 9.2647 9.2647 9.2647 9.2647 9.4521 9.4521 9.4521 9.4521 9.8508 9.8508 9.8508 9.8508 9.9182 9.9182 9.9182 9.9182 9.9712 9.9712 9.9712 9.9712 10.0495 10.0495 10.0495 10.0495 10.8383 10.8383 10.8383 10.8383 10.8850 10.8850 10.8850 10.8850 11.7535 11.7535 11.7535 11.7535 k = 0.5000 0.0491 0.2733 ( 7304 PWs) bands (ev): 2.6765 2.6765 2.6765 2.6765 2.6830 2.6830 2.6830 2.6830 5.2022 5.2022 5.2022 5.2022 6.8296 6.8296 6.8296 6.8296 7.4047 7.4047 7.4047 7.4047 7.8077 7.8077 7.8077 7.8077 7.9683 7.9683 7.9683 7.9683 8.6174 8.6174 8.6174 8.6174 8.9376 8.9376 8.9376 8.9376 9.0801 9.0801 9.0801 9.0801 9.2653 9.2653 9.2653 9.2653 9.4529 9.4529 9.4529 9.4529 9.8449 9.8449 9.8449 9.8449 9.9202 9.9202 9.9202 9.9202 9.9712 9.9712 9.9712 9.9712 10.0452 10.0452 10.0452 10.0452 10.8448 10.8448 10.8448 10.8448 10.8909 10.8909 10.8909 10.8909 11.7517 11.7517 11.7517 11.7517 k = 0.5000 0.0614 0.2733 ( 7300 PWs) bands (ev): 2.6776 2.6776 2.6776 2.6776 2.6839 2.6839 2.6839 2.6839 5.2097 5.2097 5.2097 5.2097 6.7990 6.7990 6.7990 6.7990 7.4155 7.4155 7.4155 7.4155 7.8122 7.8122 7.8122 7.8122 7.9734 7.9734 7.9734 7.9734 8.6099 8.6099 8.6099 8.6099 8.9457 8.9457 8.9457 8.9457 9.0787 9.0787 9.0787 9.0787 9.2660 9.2660 9.2660 9.2660 9.4538 9.4538 9.4538 9.4538 9.8384 9.8384 9.8384 9.8384 9.9200 9.9200 9.9200 9.9200 9.9729 9.9729 9.9729 9.9729 10.0399 10.0399 10.0399 10.0399 10.8530 10.8530 10.8530 10.8530 10.8983 10.8983 10.8983 10.8983 11.7496 11.7496 11.7496 11.7496 k = 0.5000 0.0737 0.2733 ( 7300 PWs) bands (ev): 2.6789 2.6789 2.6789 2.6789 2.6850 2.6850 2.6850 2.6850 5.2190 5.2190 5.2190 5.2190 6.7631 6.7631 6.7631 6.7631 7.4286 7.4286 7.4286 7.4286 7.8177 7.8177 7.8177 7.8177 7.9785 7.9785 7.9785 7.9785 8.6008 8.6008 8.6008 8.6008 8.9552 8.9552 8.9552 8.9552 9.0773 9.0773 9.0773 9.0773 9.2669 9.2669 9.2669 9.2669 9.4550 9.4550 9.4550 9.4550 9.8315 9.8315 9.8315 9.8315 9.9168 9.9168 9.9168 9.9168 9.9768 9.9768 9.9768 9.9768 10.0339 10.0339 10.0339 10.0339 10.8627 10.8627 10.8627 10.8627 10.9073 10.9073 10.9073 10.9073 11.7472 11.7472 11.7472 11.7472 k = 0.5000 0.0860 0.2733 ( 7312 PWs) bands (ev): 2.6804 2.6804 2.6804 2.6804 2.6863 2.6863 2.6863 2.6863 5.2300 5.2300 5.2300 5.2300 6.7227 6.7227 6.7227 6.7227 7.4437 7.4437 7.4437 7.4437 7.8241 7.8241 7.8241 7.8241 7.9830 7.9830 7.9830 7.9830 8.5902 8.5902 8.5902 8.5902 8.9657 8.9657 8.9657 8.9657 9.0760 9.0760 9.0760 9.0760 9.2678 9.2678 9.2678 9.2678 9.4561 9.4561 9.4561 9.4561 9.8244 9.8244 9.8244 9.8244 9.9109 9.9109 9.9109 9.9109 9.9824 9.9824 9.9824 9.9824 10.0274 10.0274 10.0274 10.0274 10.8740 10.8740 10.8740 10.8740 10.9176 10.9176 10.9176 10.9176 11.7448 11.7448 11.7448 11.7448 k = 0.5000 0.0983 0.2733 ( 7316 PWs) bands (ev): 2.6820 2.6820 2.6820 2.6820 2.6878 2.6878 2.6878 2.6878 5.2429 5.2429 5.2429 5.2429 6.6785 6.6785 6.6785 6.6785 7.4607 7.4607 7.4607 7.4607 7.8316 7.8316 7.8316 7.8316 7.9865 7.9865 7.9865 7.9865 8.5780 8.5780 8.5780 8.5780 8.9770 8.9770 8.9770 8.9770 9.0751 9.0751 9.0751 9.0751 9.2689 9.2689 9.2689 9.2689 9.4573 9.4573 9.4573 9.4573 9.8172 9.8172 9.8172 9.8172 9.9032 9.9032 9.9032 9.9032 9.9884 9.9884 9.9884 9.9884 10.0213 10.0213 10.0213 10.0213 10.8867 10.8867 10.8867 10.8867 10.9293 10.9293 10.9293 10.9293 11.7425 11.7425 11.7425 11.7425 k = 0.5000 0.1106 0.2733 ( 7312 PWs) bands (ev): 2.6837 2.6837 2.6837 2.6837 2.6894 2.6894 2.6894 2.6894 5.2577 5.2577 5.2577 5.2577 6.6311 6.6311 6.6311 6.6311 7.4795 7.4795 7.4795 7.4795 7.8401 7.8401 7.8401 7.8401 7.9886 7.9886 7.9886 7.9886 8.5644 8.5644 8.5644 8.5644 8.9887 8.9887 8.9887 8.9887 9.0746 9.0746 9.0746 9.0746 9.2701 9.2701 9.2701 9.2701 9.4583 9.4583 9.4583 9.4583 9.8101 9.8101 9.8101 9.8101 9.8941 9.8941 9.8941 9.8941 9.9929 9.9929 9.9929 9.9929 10.0171 10.0171 10.0171 10.0171 10.9007 10.9007 10.9007 10.9007 10.9420 10.9420 10.9420 10.9420 11.7405 11.7405 11.7405 11.7405 k = 0.5000 0.1229 0.2733 ( 7320 PWs) bands (ev): 2.6855 2.6855 2.6855 2.6855 2.6911 2.6911 2.6911 2.6911 5.2743 5.2743 5.2743 5.2743 6.5811 6.5811 6.5811 6.5811 7.4998 7.4998 7.4998 7.4998 7.8497 7.8497 7.8497 7.8497 7.9892 7.9892 7.9892 7.9892 8.5493 8.5493 8.5493 8.5493 9.0006 9.0006 9.0006 9.0006 9.0747 9.0747 9.0747 9.0747 9.2714 9.2714 9.2714 9.2714 9.4590 9.4590 9.4590 9.4590 9.8030 9.8030 9.8030 9.8030 9.8843 9.8843 9.8843 9.8843 9.9929 9.9929 9.9929 9.9929 10.0176 10.0176 10.0176 10.0176 10.9156 10.9156 10.9156 10.9156 10.9558 10.9558 10.9558 10.9558 11.7390 11.7390 11.7390 11.7390 k = 0.5000 0.1352 0.2733 ( 7324 PWs) bands (ev): 2.6873 2.6873 2.6873 2.6873 2.6930 2.6930 2.6930 2.6930 5.2930 5.2930 5.2930 5.2930 6.5289 6.5289 6.5289 6.5289 7.5214 7.5214 7.5214 7.5214 7.8604 7.8604 7.8604 7.8604 7.9881 7.9881 7.9881 7.9881 8.5327 8.5327 8.5327 8.5327 9.0123 9.0123 9.0123 9.0123 9.0754 9.0754 9.0754 9.0754 9.2731 9.2731 9.2731 9.2731 9.4594 9.4594 9.4594 9.4594 9.7960 9.7960 9.7960 9.7960 9.8740 9.8740 9.8740 9.8740 9.9887 9.9887 9.9887 9.9887 10.0224 10.0224 10.0224 10.0224 10.9314 10.9314 10.9314 10.9314 10.9703 10.9703 10.9703 10.9703 11.7382 11.7382 11.7382 11.7382 k = 0.5000 0.1474 0.2733 ( 7328 PWs) bands (ev): 2.6891 2.6891 2.6891 2.6891 2.6949 2.6949 2.6949 2.6949 5.3137 5.3137 5.3137 5.3137 6.4752 6.4752 6.4752 6.4752 7.5442 7.5442 7.5442 7.5442 7.8723 7.8723 7.8723 7.8723 7.9854 7.9854 7.9854 7.9854 8.5146 8.5146 8.5146 8.5146 9.0236 9.0236 9.0236 9.0236 9.0768 9.0768 9.0768 9.0768 9.2750 9.2750 9.2750 9.2750 9.4591 9.4591 9.4591 9.4591 9.7894 9.7894 9.7894 9.7894 9.8635 9.8635 9.8635 9.8635 9.9832 9.9832 9.9832 9.9832 10.0287 10.0287 10.0287 10.0287 10.9479 10.9479 10.9479 10.9479 10.9854 10.9854 10.9854 10.9854 11.7384 11.7384 11.7384 11.7384 k = 0.5000 0.1597 0.2733 ( 7324 PWs) bands (ev): 2.6909 2.6909 2.6909 2.6909 2.6968 2.6968 2.6968 2.6968 5.3364 5.3364 5.3364 5.3364 6.4202 6.4202 6.4202 6.4202 7.5678 7.5678 7.5678 7.5678 7.8855 7.8855 7.8855 7.8855 7.9809 7.9809 7.9809 7.9809 8.4951 8.4951 8.4951 8.4951 9.0342 9.0342 9.0342 9.0342 9.0789 9.0789 9.0789 9.0789 9.2773 9.2773 9.2773 9.2773 9.4580 9.4580 9.4580 9.4580 9.7829 9.7829 9.7829 9.7829 9.8530 9.8530 9.8530 9.8530 9.9781 9.9781 9.9781 9.9781 10.0349 10.0349 10.0349 10.0349 10.9648 10.9648 10.9648 10.9648 11.0008 11.0008 11.0008 11.0008 11.7400 11.7400 11.7400 11.7400 k = 0.5000 0.1720 0.2733 ( 7324 PWs) bands (ev): 2.6927 2.6927 2.6927 2.6927 2.6988 2.6988 2.6988 2.6988 5.3612 5.3612 5.3612 5.3612 6.3644 6.3644 6.3644 6.3644 7.5919 7.5919 7.5919 7.5919 7.8999 7.8999 7.8999 7.8999 7.9750 7.9750 7.9750 7.9750 8.4741 8.4741 8.4741 8.4741 9.0438 9.0438 9.0438 9.0438 9.0816 9.0816 9.0816 9.0816 9.2802 9.2802 9.2802 9.2802 9.4560 9.4560 9.4560 9.4560 9.7769 9.7769 9.7769 9.7769 9.8424 9.8424 9.8424 9.8424 9.9740 9.9740 9.9740 9.9740 10.0404 10.0404 10.0404 10.0404 10.9818 10.9818 10.9818 10.9818 11.0163 11.0163 11.0163 11.0163 11.7430 11.7430 11.7430 11.7430 k = 0.5000 0.1843 0.2733 ( 7316 PWs) bands (ev): 2.6944 2.6944 2.6944 2.6944 2.7006 2.7006 2.7006 2.7006 5.3881 5.3881 5.3881 5.3881 6.3081 6.3081 6.3081 6.3081 7.6163 7.6163 7.6163 7.6163 7.9156 7.9156 7.9156 7.9156 7.9678 7.9678 7.9678 7.9678 8.4516 8.4516 8.4516 8.4516 9.0523 9.0523 9.0523 9.0523 9.0850 9.0850 9.0850 9.0850 9.2837 9.2837 9.2837 9.2837 9.4530 9.4530 9.4530 9.4530 9.7713 9.7713 9.7713 9.7713 9.8320 9.8320 9.8320 9.8320 9.9714 9.9714 9.9714 9.9714 10.0451 10.0451 10.0451 10.0451 10.9987 10.9987 10.9987 10.9987 11.0316 11.0316 11.0316 11.0316 11.7479 11.7479 11.7479 11.7479 k = 0.5000 0.1966 0.2733 ( 7312 PWs) bands (ev): 2.6960 2.6960 2.6960 2.6960 2.7024 2.7024 2.7024 2.7024 5.4171 5.4171 5.4171 5.4171 6.2515 6.2515 6.2515 6.2515 7.6407 7.6407 7.6407 7.6407 7.9317 7.9317 7.9317 7.9317 7.9603 7.9603 7.9603 7.9603 8.4277 8.4277 8.4277 8.4277 9.0598 9.0598 9.0598 9.0598 9.0888 9.0888 9.0888 9.0888 9.2879 9.2879 9.2879 9.2879 9.4489 9.4489 9.4489 9.4489 9.7662 9.7662 9.7662 9.7662 9.8217 9.8217 9.8217 9.8217 9.9705 9.9705 9.9705 9.9705 10.0486 10.0486 10.0486 10.0486 11.0152 11.0152 11.0152 11.0152 11.0464 11.0464 11.0464 11.0464 11.7548 11.7548 11.7548 11.7548 k = 0.5000 0.2089 0.2733 ( 7308 PWs) bands (ev): 2.6976 2.6976 2.6976 2.6976 2.7041 2.7041 2.7041 2.7041 5.4483 5.4483 5.4483 5.4483 6.1951 6.1951 6.1951 6.1951 7.6648 7.6648 7.6648 7.6648 7.9403 7.9403 7.9403 7.9403 7.9609 7.9609 7.9609 7.9609 8.4025 8.4025 8.4025 8.4025 9.0663 9.0663 9.0663 9.0663 9.0927 9.0927 9.0927 9.0927 9.2930 9.2930 9.2930 9.2930 9.4436 9.4436 9.4436 9.4436 9.7616 9.7616 9.7616 9.7616 9.8116 9.8116 9.8116 9.8116 9.9715 9.9715 9.9715 9.9715 10.0509 10.0509 10.0509 10.0509 11.0312 11.0312 11.0312 11.0312 11.0603 11.0603 11.0603 11.0603 11.7640 11.7640 11.7640 11.7640 k = 0.5000 0.2212 0.2733 ( 7320 PWs) bands (ev): 2.6991 2.6991 2.6991 2.6991 2.7056 2.7056 2.7056 2.7056 5.4816 5.4816 5.4816 5.4816 6.1390 6.1390 6.1390 6.1390 7.6884 7.6884 7.6884 7.6884 7.9328 7.9328 7.9328 7.9328 7.9782 7.9782 7.9782 7.9782 8.3760 8.3760 8.3760 8.3760 9.0718 9.0718 9.0718 9.0718 9.0966 9.0966 9.0966 9.0966 9.2989 9.2989 9.2989 9.2989 9.4372 9.4372 9.4372 9.4372 9.7576 9.7576 9.7576 9.7576 9.8018 9.8018 9.8018 9.8018 9.9742 9.9742 9.9742 9.9742 10.0518 10.0518 10.0518 10.0518 11.0462 11.0462 11.0462 11.0462 11.0730 11.0730 11.0730 11.0730 11.7757 11.7757 11.7757 11.7757 k = 0.5000 0.2335 0.2733 ( 7316 PWs) bands (ev): 2.7004 2.7004 2.7004 2.7004 2.7070 2.7070 2.7070 2.7070 5.5170 5.5170 5.5170 5.5170 6.0834 6.0834 6.0834 6.0834 7.7112 7.7112 7.7112 7.7112 7.9211 7.9211 7.9211 7.9211 8.0004 8.0004 8.0004 8.0004 8.3484 8.3484 8.3484 8.3484 9.0766 9.0766 9.0766 9.0766 9.1001 9.1001 9.1001 9.1001 9.3057 9.3057 9.3057 9.3057 9.4298 9.4298 9.4298 9.4298 9.7543 9.7543 9.7543 9.7543 9.7925 9.7925 9.7925 9.7925 9.9786 9.9786 9.9786 9.9786 10.0514 10.0514 10.0514 10.0514 11.0601 11.0601 11.0601 11.0601 11.0843 11.0843 11.0843 11.0843 11.7902 11.7902 11.7902 11.7902 k = 0.5000 0.2457 0.2733 ( 7308 PWs) bands (ev): 2.7016 2.7016 2.7016 2.7016 2.7081 2.7081 2.7081 2.7081 5.5545 5.5545 5.5545 5.5545 6.0285 6.0285 6.0285 6.0285 7.7333 7.7333 7.7333 7.7333 7.9080 7.9080 7.9080 7.9080 8.0249 8.0249 8.0249 8.0249 8.3198 8.3198 8.3198 8.3198 9.0806 9.0806 9.0806 9.0806 9.1032 9.1032 9.1032 9.1032 9.3133 9.3133 9.3133 9.3133 9.4215 9.4215 9.4215 9.4215 9.7518 9.7518 9.7518 9.7518 9.7837 9.7837 9.7837 9.7837 9.9842 9.9842 9.9842 9.9842 10.0498 10.0498 10.0498 10.0498 11.0728 11.0728 11.0728 11.0728 11.0939 11.0939 11.0939 11.0939 11.8074 11.8074 11.8074 11.8074 k = 0.5000 0.2580 0.2733 ( 7308 PWs) bands (ev): 2.7026 2.7026 2.7026 2.7026 2.7091 2.7091 2.7091 2.7091 5.5940 5.5940 5.5940 5.5940 5.9746 5.9746 5.9746 5.9746 7.7544 7.7544 7.7544 7.7544 7.8940 7.8940 7.8940 7.8940 8.0511 8.0511 8.0511 8.0511 8.2903 8.2903 8.2903 8.2903 9.0840 9.0840 9.0840 9.0840 9.1057 9.1057 9.1057 9.1057 9.3217 9.3217 9.3217 9.3217 9.4125 9.4125 9.4125 9.4125 9.7501 9.7501 9.7501 9.7501 9.7758 9.7758 9.7758 9.7758 9.9908 9.9908 9.9908 9.9908 10.0469 10.0469 10.0469 10.0469 11.0839 11.0839 11.0839 11.0839 11.1016 11.1016 11.1016 11.1016 11.8275 11.8275 11.8275 11.8275 k = 0.5000 0.2703 0.2733 ( 7312 PWs) bands (ev): 2.7034 2.7034 2.7034 2.7034 2.7099 2.7099 2.7099 2.7099 5.6354 5.6354 5.6354 5.6354 5.9218 5.9218 5.9218 5.9218 7.7746 7.7746 7.7746 7.7746 7.8791 7.8791 7.8791 7.8791 8.0788 8.0788 8.0788 8.0788 8.2601 8.2601 8.2601 8.2601 9.0866 9.0866 9.0866 9.0866 9.1076 9.1076 9.1076 9.1076 9.3305 9.3305 9.3305 9.3305 9.4032 9.4032 9.4032 9.4032 9.7494 9.7494 9.7494 9.7494 9.7687 9.7687 9.7687 9.7687 9.9980 9.9980 9.9980 9.9980 10.0429 10.0429 10.0429 10.0429 11.0933 11.0933 11.0933 11.0933 11.1070 11.1070 11.1070 11.1070 11.8504 11.8504 11.8504 11.8504 k = 0.5000 0.2826 0.2733 ( 7312 PWs) bands (ev): 2.7040 2.7040 2.7040 2.7040 2.7104 2.7104 2.7104 2.7104 5.6788 5.6788 5.6788 5.6788 5.8704 5.8704 5.8704 5.8704 7.7939 7.7939 7.7939 7.7939 7.8636 7.8636 7.8636 7.8636 8.1077 8.1077 8.1077 8.1077 8.2295 8.2295 8.2295 8.2295 9.0885 9.0885 9.0885 9.0885 9.1089 9.1089 9.1089 9.1089 9.3393 9.3393 9.3393 9.3393 9.3940 9.3940 9.3940 9.3940 9.7497 9.7497 9.7497 9.7497 9.7627 9.7627 9.7627 9.7627 10.0053 10.0053 10.0053 10.0053 10.0380 10.0380 10.0380 10.0380 11.1009 11.1009 11.1009 11.1009 11.1103 11.1103 11.1103 11.1103 11.8759 11.8759 11.8759 11.8759 k = 0.5000 0.2949 0.2733 ( 7300 PWs) bands (ev): 2.7043 2.7043 2.7043 2.7043 2.7107 2.7107 2.7107 2.7107 5.7238 5.7238 5.7238 5.7238 5.8204 5.8204 5.8204 5.8204 7.8122 7.8122 7.8122 7.8122 7.8474 7.8474 7.8474 7.8474 8.1375 8.1375 8.1375 8.1375 8.1987 8.1987 8.1987 8.1987 9.0897 9.0897 9.0897 9.0897 9.1097 9.1097 9.1097 9.1097 9.3469 9.3469 9.3469 9.3469 9.3862 9.3862 9.3862 9.3862 9.7511 9.7511 9.7511 9.7511 9.7579 9.7579 9.7579 9.7579 10.0118 10.0118 10.0118 10.0118 10.0330 10.0330 10.0330 10.0330 11.1064 11.1064 11.1064 11.1064 11.1114 11.1114 11.1114 11.1114 11.9039 11.9039 11.9039 11.9039 k = 0.5000 0.3072 0.2733 ( 7296 PWs) bands (ev): 2.7044 2.7044 2.7044 2.7044 2.7108 2.7108 2.7108 2.7108 5.7645 5.7645 5.7645 5.7645 5.7781 5.7781 5.7781 5.7781 7.8273 7.8273 7.8273 7.8273 7.8331 7.8331 7.8331 7.8331 8.1672 8.1672 8.1672 8.1672 8.1686 8.1686 8.1686 8.1686 9.0901 9.0901 9.0901 9.0901 9.1100 9.1100 9.1100 9.1100 9.3503 9.3503 9.3503 9.3503 9.3827 9.3827 9.3827 9.3827 9.7527 9.7527 9.7527 9.7527 9.7551 9.7551 9.7551 9.7551 10.0151 10.0151 10.0151 10.0151 10.0303 10.0303 10.0303 10.0303 11.1092 11.1092 11.1092 11.1092 11.1108 11.1108 11.1108 11.1108 11.9328 11.9328 11.9328 11.9328 k = 0.5000 0.3072 0.2733 ( 7296 PWs) bands (ev): 2.7044 2.7044 2.7044 2.7044 2.7108 2.7108 2.7108 2.7108 5.7645 5.7645 5.7645 5.7645 5.7781 5.7781 5.7781 5.7781 7.8273 7.8273 7.8273 7.8273 7.8331 7.8331 7.8331 7.8331 8.1672 8.1672 8.1672 8.1672 8.1686 8.1686 8.1686 8.1686 9.0901 9.0901 9.0901 9.0901 9.1100 9.1100 9.1100 9.1100 9.3503 9.3503 9.3503 9.3503 9.3827 9.3827 9.3827 9.3827 9.7527 9.7527 9.7527 9.7527 9.7551 9.7551 9.7551 9.7551 10.0151 10.0151 10.0151 10.0151 10.0303 10.0303 10.0303 10.0303 11.1092 11.1092 11.1092 11.1092 11.1108 11.1108 11.1108 11.1108 11.9328 11.9328 11.9328 11.9329 k = 0.4875 0.3072 0.2733 ( 7300 PWs) bands (ev): 2.6844 2.6844 2.6844 2.6844 2.7280 2.7280 2.7280 2.7280 5.7488 5.7488 5.7488 5.7488 5.7974 5.7974 5.7974 5.7974 7.8181 7.8181 7.8181 7.8181 7.8389 7.8389 7.8389 7.8389 8.1549 8.1549 8.1549 8.1549 8.1810 8.1810 8.1810 8.1810 9.0891 9.0891 9.0891 9.0891 9.1092 9.1092 9.1092 9.1092 9.3506 9.3506 9.3506 9.3506 9.3832 9.3832 9.3832 9.3832 9.7334 9.7334 9.7334 9.7334 9.7753 9.7753 9.7753 9.7753 10.0154 10.0154 10.0154 10.0154 10.0340 10.0340 10.0340 10.0340 11.1034 11.1034 11.1034 11.1034 11.1172 11.1172 11.1172 11.1172 11.9244 11.9244 11.9244 11.9244 k = 0.4750 0.3072 0.2733 ( 7292 PWs) bands (ev): 2.6589 2.6589 2.6589 2.6589 2.7449 2.7449 2.7449 2.7449 5.7317 5.7317 5.7317 5.7317 5.8255 5.8255 5.8255 5.8255 7.8030 7.8030 7.8030 7.8030 7.8440 7.8440 7.8440 7.8440 8.1426 8.1426 8.1426 8.1426 8.1933 8.1933 8.1933 8.1933 9.0861 9.0861 9.0861 9.0861 9.1070 9.1070 9.1070 9.1070 9.3514 9.3514 9.3514 9.3514 9.3847 9.3847 9.3847 9.3847 9.7140 9.7140 9.7140 9.7140 9.7973 9.7973 9.7973 9.7973 10.0175 10.0175 10.0175 10.0175 10.0439 10.0439 10.0439 10.0439 11.0974 11.0974 11.0974 11.0974 11.1250 11.1250 11.1250 11.1250 11.9141 11.9141 11.9141 11.9141 k = 0.4625 0.3072 0.2733 ( 7292 PWs) bands (ev): 2.6308 2.6308 2.6308 2.6308 2.7586 2.7586 2.7586 2.7586 5.7186 5.7186 5.7186 5.7186 5.8568 5.8568 5.8568 5.8568 7.7841 7.7841 7.7841 7.7841 7.8464 7.8464 7.8464 7.8464 8.1316 8.1316 8.1316 8.1316 8.2044 8.2044 8.2044 8.2044 9.0813 9.0813 9.0813 9.0813 9.1034 9.1034 9.1034 9.1034 9.3528 9.3528 9.3528 9.3528 9.3870 9.3870 9.3870 9.3870 9.6955 9.6955 9.6955 9.6955 9.8198 9.8198 9.8198 9.8198 10.0224 10.0224 10.0224 10.0224 10.0585 10.0585 10.0585 10.0585 11.0919 11.0919 11.0919 11.0919 11.1335 11.1335 11.1335 11.1335 11.9035 11.9035 11.9035 11.9035 k = 0.4500 0.3072 0.2733 ( 7296 PWs) bands (ev): 2.6005 2.6005 2.6005 2.6005 2.7689 2.7689 2.7689 2.7689 5.7097 5.7097 5.7097 5.7097 5.8908 5.8908 5.8908 5.8908 7.7615 7.7615 7.7615 7.7615 7.8461 7.8461 7.8461 7.8461 8.1226 8.1226 8.1226 8.1226 8.2137 8.2137 8.2137 8.2137 9.0749 9.0749 9.0749 9.0749 9.0985 9.0985 9.0985 9.0985 9.3550 9.3550 9.3550 9.3550 9.3900 9.3900 9.3900 9.3900 9.6781 9.6781 9.6781 9.6781 9.8426 9.8426 9.8426 9.8426 10.0304 10.0304 10.0304 10.0304 10.0774 10.0774 10.0774 10.0774 11.0868 11.0868 11.0868 11.0868 11.1428 11.1428 11.1428 11.1428 11.8929 11.8929 11.8929 11.8929 k = 0.4375 0.3072 0.2733 ( 7300 PWs) bands (ev): 2.5682 2.5682 2.5682 2.5682 2.7759 2.7759 2.7759 2.7759 5.7052 5.7052 5.7052 5.7052 5.9270 5.9270 5.9270 5.9270 7.7355 7.7355 7.7355 7.7355 7.8434 7.8434 7.8434 7.8434 8.1156 8.1156 8.1156 8.1156 8.2211 8.2211 8.2211 8.2211 9.0672 9.0672 9.0672 9.0672 9.0926 9.0926 9.0926 9.0926 9.3579 9.3579 9.3579 9.3579 9.3934 9.3934 9.3934 9.3934 9.6619 9.6619 9.6619 9.6619 9.8653 9.8653 9.8653 9.8653 10.0414 10.0414 10.0414 10.0414 10.1000 10.1000 10.1000 10.1000 11.0820 11.0820 11.0820 11.0820 11.1530 11.1530 11.1530 11.1530 11.8825 11.8825 11.8825 11.8825 k = 0.4250 0.3072 0.2733 ( 7300 PWs) bands (ev): 2.5343 2.5343 2.5343 2.5343 2.7794 2.7794 2.7794 2.7794 5.7053 5.7053 5.7053 5.7053 5.9650 5.9650 5.9650 5.9650 7.7066 7.7066 7.7066 7.7066 7.8383 7.8383 7.8383 7.8383 8.1109 8.1109 8.1109 8.1109 8.2264 8.2264 8.2264 8.2264 9.0585 9.0585 9.0585 9.0585 9.0861 9.0861 9.0861 9.0861 9.3615 9.3615 9.3615 9.3615 9.3971 9.3971 9.3971 9.3971 9.6469 9.6469 9.6469 9.6469 9.8878 9.8878 9.8878 9.8878 10.0552 10.0552 10.0552 10.0552 10.1259 10.1259 10.1259 10.1259 11.0775 11.0775 11.0775 11.0775 11.1641 11.1641 11.1641 11.1641 11.8728 11.8728 11.8728 11.8729 k = 0.4125 0.3072 0.2733 ( 7308 PWs) bands (ev): 2.4989 2.4989 2.4989 2.4989 2.7794 2.7794 2.7794 2.7794 5.7099 5.7099 5.7099 5.7099 6.0041 6.0041 6.0041 6.0041 7.6755 7.6755 7.6755 7.6755 7.8308 7.8308 7.8308 7.8308 8.1083 8.1083 8.1083 8.1083 8.2296 8.2296 8.2296 8.2296 9.0490 9.0490 9.0490 9.0490 9.0793 9.0793 9.0793 9.0793 9.3656 9.3656 9.3656 9.3656 9.4007 9.4007 9.4007 9.4007 9.6334 9.6334 9.6334 9.6334 9.9098 9.9098 9.9098 9.9098 10.0714 10.0714 10.0714 10.0714 10.1546 10.1546 10.1546 10.1546 11.0733 11.0733 11.0733 11.0733 11.1762 11.1762 11.1762 11.1762 11.8642 11.8642 11.8642 11.8642 k = 0.4000 0.3072 0.2733 ( 7316 PWs) bands (ev): 2.4623 2.4623 2.4623 2.4623 2.7761 2.7761 2.7761 2.7761 5.7190 5.7190 5.7190 5.7190 6.0439 6.0439 6.0439 6.0439 7.6429 7.6429 7.6429 7.6429 7.8209 7.8209 7.8209 7.8209 8.1077 8.1077 8.1077 8.1077 8.2310 8.2310 8.2310 8.2310 9.0391 9.0391 9.0391 9.0391 9.0725 9.0725 9.0725 9.0725 9.3697 9.3697 9.3697 9.3697 9.4042 9.4042 9.4042 9.4042 9.6216 9.6216 9.6216 9.6216 9.9311 9.9311 9.9311 9.9311 10.0898 10.0898 10.0898 10.0898 10.1856 10.1856 10.1856 10.1856 11.0692 11.0692 11.0692 11.0692 11.1892 11.1892 11.1892 11.1892 11.8568 11.8568 11.8568 11.8568 k = 0.3875 0.3072 0.2733 ( 7312 PWs) bands (ev): 2.4248 2.4248 2.4248 2.4248 2.7695 2.7695 2.7695 2.7695 5.7325 5.7325 5.7325 5.7325 6.0838 6.0838 6.0838 6.0838 7.6096 7.6096 7.6096 7.6096 7.8087 7.8087 7.8087 7.8087 8.1089 8.1089 8.1089 8.1089 8.2309 8.2309 8.2309 8.2309 9.0288 9.0288 9.0288 9.0288 9.0661 9.0661 9.0661 9.0661 9.3733 9.3733 9.3733 9.3733 9.4072 9.4072 9.4072 9.4072 9.6122 9.6122 9.6122 9.6122 9.9517 9.9517 9.9517 9.9517 10.1098 10.1098 10.1098 10.1098 10.2182 10.2182 10.2182 10.2182 11.0655 11.0655 11.0655 11.0655 11.2032 11.2032 11.2032 11.2032 11.8511 11.8511 11.8511 11.8511 k = 0.3750 0.3072 0.2733 ( 7312 PWs) bands (ev): 2.3865 2.3865 2.3865 2.3865 2.7599 2.7599 2.7599 2.7599 5.7501 5.7501 5.7501 5.7501 6.1233 6.1233 6.1233 6.1233 7.5764 7.5764 7.5764 7.5764 7.7942 7.7942 7.7942 7.7942 8.1118 8.1118 8.1118 8.1118 8.2295 8.2295 8.2295 8.2295 9.0186 9.0186 9.0186 9.0186 9.0605 9.0605 9.0605 9.0605 9.3758 9.3758 9.3758 9.3758 9.4095 9.4095 9.4095 9.4095 9.6054 9.6054 9.6054 9.6054 9.9717 9.9717 9.9717 9.9717 10.1309 10.1309 10.1309 10.1309 10.2518 10.2518 10.2518 10.2518 11.0620 11.0620 11.0620 11.0620 11.2182 11.2182 11.2182 11.2182 11.8474 11.8474 11.8474 11.8474 k = 0.3625 0.3072 0.2733 ( 7308 PWs) bands (ev): 2.3477 2.3477 2.3477 2.3477 2.7474 2.7474 2.7474 2.7474 5.7715 5.7715 5.7715 5.7715 6.1616 6.1616 6.1616 6.1616 7.5443 7.5443 7.5443 7.5443 7.7776 7.7776 7.7776 7.7776 8.1160 8.1160 8.1160 8.1160 8.2271 8.2271 8.2271 8.2271 9.0086 9.0086 9.0086 9.0086 9.0558 9.0558 9.0558 9.0558 9.3769 9.3769 9.3769 9.3769 9.4105 9.4105 9.4105 9.4105 9.6021 9.6021 9.6021 9.6021 9.9909 9.9909 9.9909 9.9909 10.1527 10.1527 10.1527 10.1527 10.2859 10.2859 10.2859 10.2859 11.0589 11.0589 11.0589 11.0589 11.2340 11.2340 11.2340 11.2340 11.8457 11.8457 11.8457 11.8457 k = 0.3500 0.3072 0.2733 ( 7312 PWs) bands (ev): 2.3086 2.3086 2.3086 2.3086 2.7323 2.7323 2.7323 2.7323 5.7966 5.7966 5.7966 5.7966 6.1980 6.1980 6.1980 6.1980 7.5140 7.5140 7.5140 7.5140 7.7592 7.7592 7.7592 7.7592 8.1215 8.1215 8.1215 8.1215 8.2239 8.2239 8.2239 8.2239 8.9991 8.9991 8.9991 8.9991 9.0523 9.0523 9.0523 9.0523 9.3763 9.3763 9.3763 9.3763 9.4098 9.4098 9.4098 9.4098 9.6025 9.6025 9.6025 9.6025 10.0094 10.0094 10.0094 10.0094 10.1745 10.1745 10.1745 10.1745 10.3198 10.3198 10.3198 10.3198 11.0562 11.0562 11.0562 11.0562 11.2505 11.2505 11.2505 11.2505 11.8463 11.8463 11.8463 11.8463 k = 0.3375 0.3072 0.2733 ( 7304 PWs) bands (ev): 2.2694 2.2694 2.2694 2.2694 2.7148 2.7148 2.7148 2.7148 5.8249 5.8249 5.8249 5.8249 6.2318 6.2318 6.2318 6.2318 7.4865 7.4865 7.4865 7.4865 7.7392 7.7392 7.7392 7.7392 8.1281 8.1281 8.1281 8.1281 8.2203 8.2203 8.2203 8.2203 8.9902 8.9902 8.9902 8.9902 9.0502 9.0502 9.0502 9.0502 9.3740 9.3740 9.3740 9.3740 9.4068 9.4068 9.4068 9.4068 9.6068 9.6068 9.6068 9.6068 10.0272 10.0272 10.0272 10.0272 10.1961 10.1961 10.1961 10.1961 10.3529 10.3529 10.3529 10.3529 11.0541 11.0541 11.0541 11.0541 11.2675 11.2675 11.2675 11.2675 11.8494 11.8494 11.8494 11.8494 k = 0.3250 0.3072 0.2733 ( 7300 PWs) bands (ev): 2.2303 2.2303 2.2303 2.2303 2.6953 2.6953 2.6953 2.6953 5.8561 5.8561 5.8561 5.8561 6.2624 6.2624 6.2624 6.2624 7.4625 7.4625 7.4625 7.4625 7.7180 7.7180 7.7180 7.7180 8.1355 8.1355 8.1355 8.1355 8.2162 8.2162 8.2162 8.2162 8.9821 8.9821 8.9821 8.9821 9.0497 9.0497 9.0497 9.0497 9.3702 9.3702 9.3702 9.3702 9.4017 9.4017 9.4017 9.4017 9.6149 9.6149 9.6149 9.6149 10.0442 10.0442 10.0442 10.0442 10.2170 10.2170 10.2170 10.2170 10.3848 10.3848 10.3848 10.3848 11.0528 11.0528 11.0528 11.0528 11.2846 11.2846 11.2846 11.2846 11.8548 11.8548 11.8548 11.8548 k = 0.3125 0.3072 0.2733 ( 7312 PWs) bands (ev): 2.1914 2.1914 2.1914 2.1914 2.6739 2.6739 2.6739 2.6739 5.8897 5.8897 5.8897 5.8897 6.2888 6.2888 6.2888 6.2888 7.4428 7.4428 7.4428 7.4428 7.6961 7.6961 7.6961 7.6961 8.1437 8.1437 8.1437 8.1437 8.2118 8.2118 8.2118 8.2118 8.9750 8.9750 8.9750 8.9750 9.0508 9.0508 9.0508 9.0508 9.3649 9.3649 9.3649 9.3649 9.3947 9.3947 9.3947 9.3947 9.6259 9.6259 9.6259 9.6259 10.0601 10.0601 10.0601 10.0601 10.2368 10.2368 10.2368 10.2368 10.4147 10.4147 10.4147 10.4147 11.0525 11.0525 11.0525 11.0525 11.3016 11.3016 11.3016 11.3016 11.8626 11.8626 11.8626 11.8626 k = 0.3000 0.3072 0.2733 ( 7328 PWs) bands (ev): 2.1529 2.1529 2.1529 2.1529 2.6510 2.6510 2.6510 2.6510 5.9253 5.9253 5.9253 5.9253 6.3105 6.3105 6.3105 6.3105 7.4281 7.4281 7.4281 7.4281 7.6739 7.6739 7.6739 7.6739 8.1526 8.1526 8.1526 8.1526 8.2072 8.2072 8.2072 8.2072 8.9689 8.9689 8.9689 8.9689 9.0536 9.0536 9.0536 9.0536 9.3582 9.3582 9.3582 9.3582 9.3863 9.3863 9.3863 9.3863 9.6395 9.6395 9.6395 9.6395 10.0749 10.0749 10.0749 10.0749 10.2552 10.2552 10.2552 10.2552 10.4424 10.4424 10.4424 10.4424 11.0534 11.0534 11.0534 11.0534 11.3179 11.3179 11.3179 11.3179 11.8727 11.8727 11.8727 11.8727 k = 0.2875 0.3072 0.2733 ( 7320 PWs) bands (ev): 2.1149 2.1149 2.1149 2.1149 2.6269 2.6269 2.6269 2.6269 5.9623 5.9623 5.9623 5.9623 6.3271 6.3271 6.3271 6.3271 7.4189 7.4189 7.4189 7.4189 7.6520 7.6520 7.6520 7.6520 8.1619 8.1619 8.1619 8.1619 8.2023 8.2023 8.2023 8.2023 8.9639 8.9639 8.9639 8.9639 9.0581 9.0581 9.0581 9.0581 9.3504 9.3504 9.3504 9.3504 9.3771 9.3771 9.3771 9.3771 9.6547 9.6547 9.6547 9.6547 10.0883 10.0883 10.0883 10.0883 10.2722 10.2722 10.2722 10.2722 10.4673 10.4673 10.4673 10.4673 11.0559 11.0559 11.0559 11.0559 11.3331 11.3331 11.3331 11.3331 11.8849 11.8849 11.8849 11.8849 k = 0.2750 0.3072 0.2733 ( 7312 PWs) bands (ev): 2.0777 2.0777 2.0777 2.0777 2.6018 2.6018 2.6018 2.6018 6.0004 6.0004 6.0004 6.0004 6.3381 6.3381 6.3381 6.3381 7.4155 7.4155 7.4155 7.4155 7.6310 7.6310 7.6310 7.6310 8.1716 8.1716 8.1716 8.1716 8.1973 8.1973 8.1973 8.1973 8.9601 8.9601 8.9601 8.9601 9.0645 9.0645 9.0645 9.0645 9.3414 9.3414 9.3414 9.3414 9.3677 9.3677 9.3677 9.3677 9.6712 9.6712 9.6712 9.6712 10.1002 10.1002 10.1002 10.1002 10.2874 10.2874 10.2874 10.2874 10.4893 10.4893 10.4893 10.4893 11.0601 11.0601 11.0601 11.0601 11.3468 11.3468 11.3468 11.3468 11.8990 11.8990 11.8990 11.8990 k = 0.2625 0.3072 0.2733 ( 7316 PWs) bands (ev): 2.0412 2.0412 2.0412 2.0412 2.5761 2.5761 2.5761 2.5761 6.0388 6.0388 6.0388 6.0388 6.3435 6.3435 6.3435 6.3435 7.4180 7.4180 7.4180 7.4180 7.6114 7.6114 7.6114 7.6114 8.1807 8.1807 8.1807 8.1807 8.1928 8.1928 8.1928 8.1928 8.9575 8.9575 8.9575 8.9575 9.0725 9.0725 9.0725 9.0725 9.3313 9.3313 9.3313 9.3313 9.3585 9.3585 9.3585 9.3585 9.6883 9.6883 9.6883 9.6883 10.1102 10.1102 10.1102 10.1102 10.3009 10.3009 10.3009 10.3009 10.5079 10.5079 10.5079 10.5079 11.0661 11.0661 11.0661 11.0661 11.3585 11.3585 11.3585 11.3585 11.9147 11.9147 11.9147 11.9147 k = 0.2500 0.3072 0.2733 ( 7320 PWs) bands (ev): 2.0057 2.0057 2.0057 2.0057 2.5500 2.5500 2.5500 2.5500 6.0771 6.0771 6.0771 6.0771 6.3435 6.3435 6.3435 6.3435 7.4259 7.4259 7.4259 7.4259 7.5938 7.5938 7.5938 7.5938 8.1831 8.1831 8.1831 8.1831 8.1948 8.1948 8.1948 8.1948 8.9559 8.9559 8.9559 8.9559 9.0822 9.0822 9.0822 9.0822 9.3202 9.3202 9.3202 9.3202 9.3501 9.3501 9.3501 9.3501 9.7058 9.7058 9.7058 9.7058 10.1182 10.1182 10.1182 10.1182 10.3126 10.3126 10.3126 10.3126 10.5232 10.5232 10.5232 10.5232 11.0742 11.0742 11.0742 11.0742 11.3682 11.3683 11.3683 11.3683 11.9316 11.9316 11.9316 11.9316 k = 0.2375 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.9713 1.9713 1.9713 1.9713 2.5236 2.5236 2.5236 2.5236 6.1147 6.1147 6.1147 6.1147 6.3387 6.3387 6.3387 6.3387 7.4389 7.4389 7.4389 7.4389 7.5788 7.5788 7.5788 7.5788 8.1780 8.1780 8.1780 8.1780 8.2042 8.2042 8.2042 8.2042 8.9556 8.9556 8.9556 8.9556 9.0933 9.0933 9.0933 9.0933 9.3083 9.3083 9.3083 9.3083 9.3430 9.3430 9.3430 9.3430 9.7233 9.7233 9.7233 9.7233 10.1239 10.1239 10.1239 10.1239 10.3226 10.3226 10.3226 10.3226 10.5348 10.5348 10.5348 10.5348 11.0844 11.0844 11.0844 11.0844 11.3758 11.3758 11.3758 11.3758 11.9493 11.9493 11.9493 11.9493 k = 0.2250 0.3072 0.2733 ( 7316 PWs) bands (ev): 1.9380 1.9380 1.9380 1.9380 2.4974 2.4974 2.4974 2.4974 6.1511 6.1511 6.1511 6.1511 6.3296 6.3296 6.3296 6.3296 7.4561 7.4561 7.4561 7.4561 7.5669 7.5669 7.5669 7.5669 8.1715 8.1715 8.1715 8.1715 8.2143 8.2143 8.2143 8.2143 8.9562 8.9562 8.9562 8.9562 9.1055 9.1055 9.1055 9.1055 9.2957 9.2957 9.2957 9.2957 9.3375 9.3375 9.3375 9.3375 9.7405 9.7405 9.7405 9.7405 10.1271 10.1271 10.1271 10.1271 10.3311 10.3311 10.3311 10.3311 10.5430 10.5430 10.5430 10.5430 11.0966 11.0966 11.0966 11.0966 11.3813 11.3813 11.3813 11.3813 11.9671 11.9671 11.9671 11.9671 k = 0.2125 0.3072 0.2733 ( 7316 PWs) bands (ev): 1.9060 1.9060 1.9060 1.9060 2.4715 2.4715 2.4715 2.4715 6.1856 6.1856 6.1856 6.1856 6.3169 6.3169 6.3169 6.3169 7.4769 7.4769 7.4769 7.4769 7.5586 7.5586 7.5586 7.5586 8.1644 8.1644 8.1644 8.1644 8.2245 8.2245 8.2245 8.2245 8.9579 8.9579 8.9579 8.9579 9.1185 9.1185 9.1185 9.1185 9.2827 9.2827 9.2827 9.2827 9.3342 9.3342 9.3342 9.3342 9.7574 9.7574 9.7574 9.7574 10.1277 10.1277 10.1277 10.1277 10.3382 10.3382 10.3382 10.3382 10.5476 10.5476 10.5476 10.5476 11.1108 11.1108 11.1108 11.1108 11.3848 11.3848 11.3848 11.3848 11.9843 11.9843 11.9843 11.9843 k = 0.2000 0.3072 0.2733 ( 7328 PWs) bands (ev): 1.8754 1.8754 1.8754 1.8754 2.4460 2.4460 2.4460 2.4460 6.2178 6.2178 6.2178 6.2178 6.3016 6.3016 6.3016 6.3016 7.5002 7.5002 7.5002 7.5002 7.5544 7.5544 7.5544 7.5544 8.1568 8.1568 8.1568 8.1568 8.2344 8.2344 8.2344 8.2344 8.9604 8.9604 8.9604 8.9604 9.1317 9.1317 9.1317 9.1317 9.2692 9.2692 9.2692 9.2692 9.3336 9.3336 9.3336 9.3336 9.7737 9.7737 9.7737 9.7737 10.1255 10.1255 10.1255 10.1255 10.3441 10.3441 10.3441 10.3441 10.5489 10.5489 10.5489 10.5489 11.1268 11.1268 11.1268 11.1268 11.3868 11.3868 11.3868 11.3868 11.9998 11.9998 11.9998 11.9998 k = 0.1875 0.3072 0.2733 ( 7320 PWs) bands (ev): 1.8462 1.8462 1.8462 1.8462 2.4212 2.4212 2.4212 2.4212 6.2471 6.2471 6.2471 6.2471 6.2844 6.2844 6.2844 6.2844 7.5253 7.5253 7.5253 7.5253 7.5546 7.5546 7.5546 7.5546 8.1487 8.1487 8.1487 8.1487 8.2440 8.2440 8.2440 8.2440 8.9638 8.9638 8.9638 8.9638 9.1443 9.1443 9.1443 9.1443 9.2556 9.2556 9.2556 9.2556 9.3367 9.3367 9.3367 9.3367 9.7894 9.7894 9.7894 9.7894 10.1206 10.1206 10.1206 10.1206 10.3491 10.3491 10.3491 10.3491 10.5470 10.5470 10.5470 10.5470 11.1443 11.1443 11.1443 11.1443 11.3873 11.3873 11.3873 11.3873 12.0122 12.0122 12.0122 12.0122 k = 0.1750 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.8185 1.8185 1.8185 1.8185 2.3973 2.3973 2.3973 2.3973 6.2631 6.2631 6.2631 6.2631 6.2761 6.2761 6.2761 6.2761 7.5509 7.5509 7.5509 7.5509 7.5598 7.5598 7.5598 7.5598 8.1401 8.1401 8.1401 8.1401 8.2531 8.2531 8.2531 8.2531 8.9679 8.9679 8.9679 8.9679 9.1556 9.1556 9.1556 9.1556 9.2418 9.2418 9.2418 9.2418 9.3442 9.3442 9.3442 9.3442 9.8043 9.8043 9.8043 9.8043 10.1129 10.1129 10.1129 10.1129 10.3533 10.3533 10.3533 10.3533 10.5423 10.5423 10.5423 10.5423 11.1631 11.1631 11.1631 11.1631 11.3868 11.3868 11.3868 11.3868 12.0194 12.0194 12.0194 12.0194 k = 0.1625 0.3072 0.2733 ( 7304 PWs) bands (ev): 1.7924 1.7924 1.7924 1.7924 2.3743 2.3743 2.3743 2.3743 6.2450 6.2450 6.2450 6.2450 6.2979 6.2979 6.2979 6.2979 7.5674 7.5674 7.5674 7.5674 7.5791 7.5791 7.5791 7.5791 8.1310 8.1310 8.1310 8.1310 8.2616 8.2616 8.2616 8.2616 8.9726 8.9726 8.9726 8.9726 9.1650 9.1650 9.1650 9.1650 9.2281 9.2281 9.2281 9.2281 9.3565 9.3565 9.3565 9.3565 9.8183 9.8183 9.8183 9.8183 10.1025 10.1025 10.1025 10.1025 10.3569 10.3569 10.3569 10.3569 10.5350 10.5350 10.5350 10.5350 11.1829 11.1829 11.1829 11.1829 11.3855 11.3855 11.3855 11.3855 12.0189 12.0189 12.0189 12.0189 k = 0.1500 0.3072 0.2733 ( 7300 PWs) bands (ev): 1.7680 1.7680 1.7680 1.7680 2.3525 2.3525 2.3525 2.3525 6.2254 6.2254 6.2254 6.2254 6.3177 6.3177 6.3177 6.3177 7.5813 7.5813 7.5813 7.5813 7.6052 7.6052 7.6052 7.6052 8.1213 8.1213 8.1213 8.1213 8.2694 8.2694 8.2694 8.2694 8.9779 8.9779 8.9779 8.9779 9.1720 9.1720 9.1720 9.1720 9.2146 9.2146 9.2146 9.2146 9.3739 9.3739 9.3739 9.3739 9.8315 9.8315 9.8315 9.8315 10.0896 10.0896 10.0896 10.0896 10.3599 10.3599 10.3599 10.3599 10.5256 10.5256 10.5256 10.5256 11.2034 11.2034 11.2034 11.2034 11.3836 11.3836 11.3836 11.3836 12.0085 12.0085 12.0085 12.0085 k = 0.1375 0.3072 0.2733 ( 7288 PWs) bands (ev): 1.7453 1.7453 1.7453 1.7453 2.3320 2.3320 2.3320 2.3320 6.2059 6.2059 6.2059 6.2059 6.3344 6.3344 6.3344 6.3344 7.5991 7.5991 7.5991 7.5991 7.6309 7.6309 7.6309 7.6309 8.1110 8.1110 8.1110 8.1110 8.2765 8.2765 8.2765 8.2765 8.9835 8.9835 8.9835 8.9835 9.1764 9.1764 9.1764 9.1764 9.2019 9.2019 9.2019 9.2019 9.3959 9.3959 9.3959 9.3959 9.8436 9.8436 9.8436 9.8436 10.0743 10.0743 10.0743 10.0743 10.3624 10.3624 10.3624 10.3624 10.5146 10.5146 10.5146 10.5146 11.2242 11.2242 11.2242 11.2242 11.3813 11.3813 11.3813 11.3813 11.9879 11.9879 11.9879 11.9879 k = 0.1250 0.3072 0.2733 ( 7296 PWs) bands (ev): 1.7244 1.7244 1.7244 1.7244 2.3130 2.3130 2.3130 2.3130 6.1870 6.1870 6.1870 6.1870 6.3480 6.3480 6.3480 6.3480 7.6205 7.6205 7.6205 7.6205 7.6555 7.6555 7.6555 7.6555 8.1001 8.1001 8.1001 8.1001 8.2827 8.2827 8.2827 8.2827 8.9896 8.9896 8.9896 8.9896 9.1757 9.1757 9.1757 9.1757 9.1928 9.1928 9.1928 9.1928 9.4222 9.4222 9.4222 9.4222 9.8546 9.8546 9.8546 9.8546 10.0567 10.0567 10.0567 10.0567 10.3644 10.3644 10.3644 10.3644 10.5024 10.5024 10.5024 10.5024 11.2450 11.2450 11.2450 11.2450 11.3788 11.3788 11.3788 11.3788 11.9586 11.9586 11.9586 11.9586 k = 0.1125 0.3072 0.2733 ( 7296 PWs) bands (ev): 1.7053 1.7053 1.7053 1.7053 2.2954 2.2954 2.2954 2.2954 6.1692 6.1692 6.1692 6.1692 6.3588 6.3588 6.3588 6.3588 7.6451 7.6451 7.6451 7.6451 7.6786 7.6786 7.6786 7.6786 8.0884 8.0884 8.0884 8.0884 8.2881 8.2881 8.2881 8.2881 8.9958 8.9958 8.9958 8.9958 9.1670 9.1670 9.1670 9.1670 9.1909 9.1909 9.1909 9.1909 9.4518 9.4518 9.4518 9.4518 9.8646 9.8646 9.8646 9.8646 10.0370 10.0370 10.0370 10.0370 10.3660 10.3660 10.3660 10.3660 10.4895 10.4895 10.4895 10.4895 11.2655 11.2655 11.2655 11.2655 11.3764 11.3764 11.3764 11.3764 11.9238 11.9238 11.9238 11.9238 k = 0.1000 0.3072 0.2733 ( 7296 PWs) bands (ev): 1.6882 1.6882 1.6882 1.6882 2.2794 2.2794 2.2794 2.2794 6.1525 6.1525 6.1525 6.1525 6.3672 6.3672 6.3672 6.3672 7.6721 7.6721 7.6721 7.6721 7.7000 7.7000 7.7000 7.7000 8.0759 8.0759 8.0759 8.0759 8.2926 8.2926 8.2926 8.2926 9.0023 9.0023 9.0023 9.0023 9.1548 9.1548 9.1548 9.1548 9.1920 9.1920 9.1920 9.1920 9.4841 9.4841 9.4841 9.4841 9.8734 9.8734 9.8734 9.8734 10.0155 10.0155 10.0155 10.0155 10.3671 10.3671 10.3671 10.3671 10.4766 10.4766 10.4766 10.4766 11.2854 11.2854 11.2854 11.2854 11.3743 11.3743 11.3743 11.3743 11.8863 11.8863 11.8863 11.8863 k = 0.0875 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.6729 1.6729 1.6729 1.6729 2.2651 2.2651 2.2651 2.2651 6.1374 6.1374 6.1374 6.1374 6.3734 6.3734 6.3734 6.3734 7.7007 7.7007 7.7007 7.7007 7.7195 7.7195 7.7195 7.7195 8.0625 8.0625 8.0625 8.0625 8.2964 8.2964 8.2964 8.2964 9.0090 9.0090 9.0090 9.0090 9.1420 9.1420 9.1420 9.1420 9.1935 9.1935 9.1935 9.1935 9.5184 9.5184 9.5184 9.5184 9.8809 9.8809 9.8809 9.8809 9.9922 9.9922 9.9922 9.9922 10.3677 10.3677 10.3677 10.3677 10.4641 10.4641 10.4641 10.4641 11.3040 11.3040 11.3040 11.3040 11.3729 11.3729 11.3729 11.3729 11.8481 11.8481 11.8481 11.8481 k = 0.0750 0.3072 0.2733 ( 7324 PWs) bands (ev): 1.6596 1.6596 1.6596 1.6596 2.2526 2.2526 2.2526 2.2526 6.1239 6.1239 6.1239 6.1239 6.3779 6.3779 6.3779 6.3779 7.7295 7.7295 7.7295 7.7295 7.7378 7.7378 7.7378 7.7378 8.0481 8.0481 8.0481 8.0481 8.2994 8.2994 8.2994 8.2994 9.0159 9.0159 9.0159 9.0159 9.1292 9.1292 9.1292 9.1292 9.1952 9.1952 9.1952 9.1952 9.5543 9.5543 9.5543 9.5543 9.8869 9.8869 9.8869 9.8869 9.9677 9.9677 9.9677 9.9677 10.3677 10.3677 10.3677 10.3677 10.4525 10.4525 10.4525 10.4525 11.3206 11.3206 11.3206 11.3206 11.3728 11.3728 11.3728 11.3728 11.8109 11.8109 11.8109 11.8109 k = 0.0625 0.3072 0.2733 ( 7316 PWs) bands (ev): 1.6483 1.6483 1.6483 1.6483 2.2418 2.2418 2.2418 2.2418 6.1122 6.1122 6.1122 6.1122 6.3811 6.3811 6.3811 6.3811 7.7498 7.7498 7.7498 7.7498 7.7624 7.7624 7.7624 7.7624 8.0328 8.0328 8.0328 8.0328 8.3018 8.3018 8.3018 8.3018 9.0230 9.0230 9.0230 9.0230 9.1168 9.1168 9.1168 9.1168 9.1967 9.1967 9.1967 9.1967 9.5910 9.5910 9.5910 9.5910 9.8905 9.8905 9.8905 9.8905 9.9427 9.9427 9.9427 9.9427 10.3672 10.3672 10.3672 10.3672 10.4425 10.4425 10.4425 10.4425 11.3337 11.3337 11.3337 11.3337 11.3754 11.3754 11.3754 11.3754 11.7762 11.7762 11.7762 11.7762 k = 0.0500 0.3072 0.2733 ( 7320 PWs) bands (ev): 1.6390 1.6390 1.6390 1.6390 2.2330 2.2330 2.2330 2.2330 6.1025 6.1025 6.1025 6.1025 6.3832 6.3832 6.3832 6.3832 7.7626 7.7626 7.7626 7.7626 7.7913 7.7913 7.7913 7.7913 8.0166 8.0166 8.0166 8.0166 8.3035 8.3035 8.3035 8.3035 9.0303 9.0303 9.0303 9.0303 9.1049 9.1049 9.1049 9.1049 9.1981 9.1981 9.1981 9.1981 9.6282 9.6282 9.6282 9.6282 9.8880 9.8880 9.8880 9.8880 9.9212 9.9212 9.9212 9.9212 10.3663 10.3663 10.3663 10.3663 10.4342 10.4342 10.4342 10.4342 11.3418 11.3418 11.3418 11.3418 11.3818 11.3818 11.3818 11.3818 11.7450 11.7450 11.7450 11.7450 k = 0.0375 0.3072 0.2733 ( 7328 PWs) bands (ev): 1.6318 1.6318 1.6318 1.6318 2.2261 2.2261 2.2261 2.2261 6.0949 6.0949 6.0949 6.0949 6.3846 6.3846 6.3846 6.3846 7.7724 7.7724 7.7724 7.7724 7.8191 7.8191 7.8191 7.8191 7.9998 7.9998 7.9998 7.9998 8.3048 8.3048 8.3048 8.3048 9.0379 9.0379 9.0379 9.0379 9.0935 9.0935 9.0935 9.0935 9.1992 9.1992 9.1992 9.1992 9.6653 9.6653 9.6653 9.6653 9.8703 9.8703 9.8703 9.8703 9.9123 9.9123 9.9123 9.9123 10.3650 10.3650 10.3650 10.3650 10.4279 10.4279 10.4279 10.4279 11.3455 11.3455 11.3455 11.3455 11.3908 11.3908 11.3908 11.3908 11.7185 11.7185 11.7185 11.7185 k = 0.0250 0.3072 0.2733 ( 7312 PWs) bands (ev): 1.6266 1.6266 1.6266 1.6266 2.2211 2.2211 2.2211 2.2211 6.0894 6.0894 6.0894 6.0894 6.3854 6.3854 6.3854 6.3854 7.7794 7.7794 7.7794 7.7794 7.8439 7.8439 7.8439 7.8439 7.9833 7.9833 7.9833 7.9833 8.3056 8.3056 8.3056 8.3056 9.0458 9.0458 9.0458 9.0458 9.0828 9.0828 9.0828 9.0828 9.2001 9.2001 9.2001 9.2001 9.7019 9.7019 9.7019 9.7019 9.8423 9.8423 9.8423 9.8423 9.9114 9.9114 9.9114 9.9114 10.3638 10.3638 10.3638 10.3638 10.4236 10.4236 10.4236 10.4236 11.3468 11.3468 11.3468 11.3468 11.3998 11.3998 11.3998 11.3998 11.6982 11.6982 11.6982 11.6982 k = 0.0125 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.6235 1.6235 1.6235 1.6235 2.2182 2.2182 2.2182 2.2182 6.0861 6.0861 6.0861 6.0861 6.3858 6.3858 6.3858 6.3858 7.7836 7.7836 7.7836 7.7836 7.8628 7.8628 7.8628 7.8628 7.9696 7.9696 7.9696 7.9696 8.3061 8.3061 8.3061 8.3061 9.0542 9.0542 9.0542 9.0542 9.0727 9.0727 9.0727 9.0727 9.2007 9.2007 9.2007 9.2007 9.7371 9.7371 9.7371 9.7371 9.8115 9.8115 9.8115 9.8115 9.9119 9.9119 9.9119 9.9119 10.3629 10.3629 10.3629 10.3629 10.4211 10.4211 10.4211 10.4211 11.3472 11.3472 11.3472 11.3472 11.4061 11.4061 11.4061 11.4061 11.6852 11.6852 11.6852 11.6852 k = 0.0000 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.6224 1.6224 1.6224 1.6224 2.2172 2.2172 2.2172 2.2172 6.0849 6.0849 6.0849 6.0849 6.3860 6.3860 6.3860 6.3860 7.7850 7.7850 7.7850 7.7850 7.8704 7.8704 7.8704 7.8704 7.9637 7.9637 7.9637 7.9637 8.3062 8.3062 8.3062 8.3062 9.0623 9.0623 9.0623 9.0623 9.0640 9.0640 9.0640 9.0640 9.2008 9.2008 9.2008 9.2008 9.7615 9.7615 9.7615 9.7615 9.7884 9.7884 9.7884 9.7884 9.9121 9.9121 9.9121 9.9121 10.3625 10.3625 10.3625 10.3625 10.4203 10.4203 10.4203 10.4203 11.3473 11.3473 11.3473 11.3473 11.4084 11.4084 11.4084 11.4084 11.6807 11.6807 11.6807 11.6807 k = 0.0000 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.6224 1.6224 1.6224 1.6224 2.2172 2.2172 2.2172 2.2172 6.0849 6.0849 6.0849 6.0849 6.3860 6.3860 6.3860 6.3860 7.7850 7.7850 7.7850 7.7850 7.8704 7.8704 7.8704 7.8704 7.9637 7.9637 7.9637 7.9637 8.3062 8.3062 8.3062 8.3062 9.0623 9.0623 9.0623 9.0623 9.0640 9.0640 9.0640 9.0640 9.2008 9.2008 9.2008 9.2008 9.7615 9.7615 9.7615 9.7615 9.7884 9.7884 9.7884 9.7884 9.9121 9.9121 9.9121 9.9121 10.3625 10.3625 10.3625 10.3625 10.4203 10.4203 10.4203 10.4203 11.3473 11.3473 11.3473 11.3473 11.4084 11.4084 11.4084 11.4084 11.6807 11.6807 11.6807 11.6807 k = 0.0000 0.2949 0.2733 ( 7300 PWs) bands (ev): 1.6183 1.6183 1.6183 1.6183 2.2222 2.2222 2.2222 2.2222 6.0842 6.0842 6.0842 6.0842 6.3869 6.3869 6.3869 6.3869 7.7766 7.7766 7.7766 7.7766 7.8788 7.8788 7.8788 7.8788 7.9620 7.9620 7.9620 7.9620 8.3076 8.3076 8.3076 8.3076 9.0563 9.0563 9.0563 9.0563 9.0631 9.0631 9.0631 9.0631 9.2043 9.2043 9.2043 9.2043 9.7617 9.7617 9.7617 9.7617 9.7886 9.7886 9.7886 9.7886 9.9135 9.9135 9.9135 9.9135 10.3628 10.3628 10.3628 10.3628 10.4205 10.4205 10.4205 10.4205 11.3464 11.3464 11.3464 11.3464 11.4080 11.4080 11.4080 11.4080 11.6810 11.6810 11.6810 11.6810 k = 0.0000 0.2826 0.2733 ( 7304 PWs) bands (ev): 1.6065 1.6065 1.6065 1.6065 2.2370 2.2370 2.2370 2.2370 6.0821 6.0821 6.0821 6.0821 6.3897 6.3897 6.3897 6.3897 7.7571 7.7571 7.7571 7.7571 7.8979 7.8979 7.8979 7.8979 7.9566 7.9566 7.9566 7.9566 8.3116 8.3116 8.3116 8.3116 9.0376 9.0376 9.0376 9.0376 9.0634 9.0634 9.0634 9.0634 9.2125 9.2125 9.2125 9.2125 9.7624 9.7624 9.7624 9.7624 9.7892 9.7892 9.7892 9.7892 9.9176 9.9176 9.9176 9.9176 10.3634 10.3634 10.3634 10.3634 10.4211 10.4211 10.4211 10.4211 11.3437 11.3437 11.3437 11.3437 11.4069 11.4069 11.4069 11.4069 11.6817 11.6817 11.6817 11.6817 k = 0.0000 0.2703 0.2733 ( 7298 PWs) bands (ev): 1.5880 1.5880 1.5880 1.5880 2.2603 2.2603 2.2603 2.2603 6.0787 6.0787 6.0787 6.0787 6.3944 6.3944 6.3944 6.3944 7.7333 7.7333 7.7333 7.7333 7.9208 7.9208 7.9208 7.9208 7.9483 7.9483 7.9483 7.9483 8.3180 8.3180 8.3180 8.3180 9.0114 9.0114 9.0114 9.0114 9.0640 9.0640 9.0640 9.0640 9.2216 9.2216 9.2216 9.2216 9.7634 9.7634 9.7634 9.7634 9.7904 9.7904 9.7904 9.7904 9.9239 9.9239 9.9239 9.9239 10.3646 10.3646 10.3646 10.3646 10.4222 10.4222 10.4222 10.4222 11.3391 11.3391 11.3391 11.3391 11.4051 11.4051 11.4051 11.4051 11.6831 11.6831 11.6831 11.6831 k = 0.0000 0.2580 0.2733 ( 7306 PWs) bands (ev): 1.5645 1.5645 1.5645 1.5645 2.2905 2.2905 2.2905 2.2905 6.0740 6.0740 6.0740 6.0740 6.4010 6.4010 6.4010 6.4010 7.7080 7.7080 7.7080 7.7080 7.9326 7.9326 7.9326 7.9326 7.9488 7.9488 7.9488 7.9488 8.3263 8.3263 8.3263 8.3263 8.9810 8.9810 8.9810 8.9810 9.0649 9.0649 9.0649 9.0649 9.2289 9.2289 9.2289 9.2289 9.7646 9.7646 9.7646 9.7646 9.7925 9.7925 9.7925 9.7925 9.9317 9.9317 9.9317 9.9317 10.3663 10.3663 10.3663 10.3663 10.4239 10.4239 10.4239 10.4239 11.3325 11.3325 11.3325 11.3325 11.4028 11.4028 11.4028 11.4028 11.6852 11.6852 11.6852 11.6852 k = 0.0000 0.2457 0.2733 ( 7314 PWs) bands (ev): 1.5373 1.5373 1.5373 1.5373 2.3261 2.3261 2.3261 2.3261 6.0681 6.0681 6.0681 6.0681 6.4092 6.4092 6.4092 6.4092 7.6822 7.6822 7.6822 7.6822 7.9186 7.9186 7.9186 7.9186 7.9725 7.9725 7.9725 7.9725 8.3360 8.3360 8.3360 8.3360 8.9489 8.9489 8.9489 8.9489 9.0661 9.0661 9.0661 9.0661 9.2332 9.2332 9.2332 9.2332 9.7658 9.7658 9.7658 9.7658 9.7954 9.7954 9.7954 9.7954 9.9404 9.9404 9.9404 9.9404 10.3689 10.3689 10.3689 10.3689 10.4262 10.4262 10.4262 10.4262 11.3236 11.3236 11.3236 11.3236 11.4001 11.4001 11.4001 11.4001 11.6882 11.6882 11.6882 11.6882 k = 0.0000 0.2335 0.2733 ( 7304 PWs) bands (ev): 1.5078 1.5078 1.5078 1.5078 2.3657 2.3657 2.3657 2.3657 6.0612 6.0612 6.0612 6.0612 6.4192 6.4192 6.4192 6.4192 7.6565 7.6565 7.6565 7.6565 7.9001 7.9001 7.9001 7.9001 7.9972 7.9972 7.9972 7.9972 8.3463 8.3463 8.3463 8.3463 8.9167 8.9167 8.9167 8.9167 9.0675 9.0675 9.0675 9.0675 9.2342 9.2342 9.2342 9.2342 9.7670 9.7670 9.7670 9.7670 9.7991 9.7991 9.7991 9.7991 9.9493 9.9493 9.9493 9.9493 10.3724 10.3724 10.3724 10.3724 10.4294 10.4294 10.4294 10.4294 11.3125 11.3125 11.3125 11.3125 11.3971 11.3971 11.3971 11.3971 11.6922 11.6922 11.6922 11.6922 k = 0.0000 0.2212 0.2733 ( 7302 PWs) bands (ev): 1.4769 1.4769 1.4769 1.4769 2.4082 2.4082 2.4082 2.4082 6.0533 6.0533 6.0533 6.0533 6.4308 6.4308 6.4308 6.4308 7.6312 7.6312 7.6312 7.6312 7.8786 7.8786 7.8786 7.8786 8.0216 8.0216 8.0216 8.0216 8.3563 8.3563 8.3563 8.3563 8.8861 8.8861 8.8861 8.8861 9.0693 9.0693 9.0693 9.0693 9.2321 9.2321 9.2321 9.2321 9.7679 9.7679 9.7679 9.7679 9.8032 9.8032 9.8032 9.8032 9.9577 9.9577 9.9577 9.9577 10.3769 10.3769 10.3769 10.3769 10.4336 10.4336 10.4336 10.4336 11.2993 11.2993 11.2993 11.2993 11.3939 11.3939 11.3939 11.3939 11.6974 11.6974 11.6974 11.6974 k = 0.0000 0.2089 0.2733 ( 7302 PWs) bands (ev): 1.4455 1.4455 1.4455 1.4455 2.4527 2.4527 2.4527 2.4527 6.0446 6.0446 6.0446 6.0446 6.4439 6.4439 6.4439 6.4439 7.6064 7.6064 7.6064 7.6064 7.8543 7.8543 7.8543 7.8543 8.0454 8.0454 8.0454 8.0454 8.3650 8.3650 8.3650 8.3650 8.8587 8.8587 8.8587 8.8587 9.0713 9.0713 9.0713 9.0713 9.2271 9.2271 9.2271 9.2271 9.7683 9.7683 9.7683 9.7683 9.8073 9.8073 9.8073 9.8073 9.9649 9.9649 9.9649 9.9649 10.3826 10.3826 10.3826 10.3826 10.4390 10.4390 10.4390 10.4390 11.2842 11.2842 11.2842 11.2842 11.3905 11.3905 11.3905 11.3905 11.7036 11.7036 11.7036 11.7036 k = 0.0000 0.1966 0.2733 ( 7322 PWs) bands (ev): 1.4143 1.4143 1.4143 1.4143 2.4983 2.4983 2.4983 2.4983 6.0353 6.0353 6.0353 6.0353 6.4584 6.4584 6.4584 6.4584 7.5824 7.5824 7.5824 7.5824 7.8274 7.8274 7.8274 7.8274 8.0684 8.0684 8.0684 8.0684 8.3710 8.3710 8.3710 8.3710 8.8360 8.8360 8.8360 8.8360 9.0736 9.0736 9.0736 9.0736 9.2200 9.2200 9.2200 9.2200 9.7680 9.7680 9.7680 9.7680 9.8112 9.8112 9.8112 9.8112 9.9705 9.9705 9.9705 9.9705 10.3894 10.3894 10.3894 10.3894 10.4458 10.4458 10.4458 10.4458 11.2676 11.2676 11.2676 11.2676 11.3869 11.3869 11.3869 11.3869 11.7109 11.7109 11.7109 11.7109 k = 0.0000 0.1843 0.2733 ( 7316 PWs) bands (ev): 1.3836 1.3836 1.3836 1.3836 2.5444 2.5444 2.5444 2.5444 6.0255 6.0255 6.0255 6.0255 6.4742 6.4742 6.4742 6.4742 7.5593 7.5593 7.5593 7.5593 7.7983 7.7983 7.7983 7.7983 8.0904 8.0904 8.0904 8.0904 8.3731 8.3731 8.3731 8.3731 8.8196 8.8196 8.8196 8.8196 9.0761 9.0761 9.0761 9.0761 9.2114 9.2114 9.2114 9.2114 9.7664 9.7664 9.7664 9.7664 9.8146 9.8146 9.8146 9.8146 9.9742 9.9742 9.9742 9.9742 10.3973 10.3973 10.3973 10.3973 10.4542 10.4542 10.4542 10.4542 11.2497 11.2497 11.2497 11.2497 11.3832 11.3832 11.3832 11.3832 11.7192 11.7192 11.7192 11.7192 k = 0.0000 0.1720 0.2733 ( 7310 PWs) bands (ev): 1.3538 1.3538 1.3538 1.3538 2.5904 2.5904 2.5904 2.5904 6.0154 6.0154 6.0154 6.0154 6.4912 6.4912 6.4912 6.4912 7.5371 7.5371 7.5371 7.5371 7.7672 7.7672 7.7672 7.7672 8.1115 8.1115 8.1115 8.1115 8.3703 8.3703 8.3703 8.3703 8.8106 8.8106 8.8106 8.8106 9.0789 9.0789 9.0789 9.0789 9.2019 9.2019 9.2019 9.2019 9.7634 9.7634 9.7634 9.7634 9.8173 9.8173 9.8173 9.8173 9.9759 9.9759 9.9759 9.9759 10.4062 10.4062 10.4062 10.4062 10.4641 10.4641 10.4641 10.4641 11.2312 11.2312 11.2312 11.2312 11.3793 11.3793 11.3793 11.3793 11.7282 11.7282 11.7282 11.7282 k = 0.0000 0.1597 0.2733 ( 7316 PWs) bands (ev): 1.3253 1.3253 1.3253 1.3253 2.6358 2.6358 2.6358 2.6358 6.0051 6.0051 6.0051 6.0051 6.5091 6.5091 6.5091 6.5091 7.5161 7.5161 7.5161 7.5161 7.7345 7.7345 7.7345 7.7345 8.1313 8.1313 8.1313 8.1313 8.3623 8.3623 8.3623 8.3623 8.8095 8.8095 8.8095 8.8095 9.0819 9.0819 9.0819 9.0819 9.1921 9.1921 9.1921 9.1921 9.7584 9.7584 9.7584 9.7584 9.8192 9.8192 9.8192 9.8192 9.9754 9.9754 9.9754 9.9754 10.4158 10.4158 10.4158 10.4158 10.4756 10.4756 10.4756 10.4756 11.2124 11.2124 11.2124 11.2124 11.3753 11.3753 11.3753 11.3753 11.7378 11.7378 11.7378 11.7378 k = 0.0000 0.1474 0.2733 ( 7304 PWs) bands (ev): 1.2983 1.2983 1.2983 1.2983 2.6801 2.6801 2.6801 2.6801 5.9948 5.9948 5.9948 5.9948 6.5279 6.5279 6.5279 6.5279 7.4963 7.4963 7.4963 7.4963 7.7007 7.7007 7.7007 7.7007 8.1500 8.1500 8.1500 8.1500 8.3492 8.3492 8.3492 8.3492 8.8159 8.8159 8.8159 8.8159 9.0851 9.0851 9.0851 9.0851 9.1826 9.1826 9.1826 9.1826 9.7512 9.7512 9.7512 9.7512 9.8203 9.8203 9.8203 9.8203 9.9732 9.9732 9.9732 9.9732 10.4258 10.4258 10.4258 10.4258 10.4885 10.4885 10.4885 10.4885 11.1937 11.1937 11.1937 11.1937 11.3712 11.3712 11.3712 11.3712 11.7478 11.7478 11.7478 11.7478 k = 0.0000 0.1352 0.2733 ( 7300 PWs) bands (ev): 1.2729 1.2729 1.2729 1.2729 2.7229 2.7229 2.7229 2.7229 5.9846 5.9846 5.9846 5.9846 6.5472 6.5472 6.5472 6.5472 7.4777 7.4777 7.4777 7.4777 7.6661 7.6661 7.6661 7.6661 8.1673 8.1673 8.1673 8.1673 8.3322 8.3322 8.3322 8.3322 8.8288 8.8288 8.8288 8.8288 9.0884 9.0884 9.0884 9.0884 9.1738 9.1738 9.1738 9.1738 9.7415 9.7415 9.7415 9.7415 9.8205 9.8205 9.8205 9.8205 9.9695 9.9695 9.9695 9.9695 10.4362 10.4362 10.4362 10.4362 10.5023 10.5023 10.5023 10.5023 11.1755 11.1755 11.1755 11.1755 11.3670 11.3670 11.3670 11.3670 11.7580 11.7580 11.7580 11.7580 k = 0.0000 0.1229 0.2733 ( 7312 PWs) bands (ev): 1.2493 1.2493 1.2493 1.2493 2.7637 2.7637 2.7637 2.7637 5.9747 5.9747 5.9747 5.9747 6.5669 6.5669 6.5669 6.5669 7.4605 7.4605 7.4605 7.4605 7.6314 7.6314 7.6314 7.6314 8.1832 8.1832 8.1832 8.1832 8.3123 8.3123 8.3123 8.3123 8.8468 8.8468 8.8468 8.8468 9.0917 9.0917 9.0917 9.0917 9.1663 9.1663 9.1663 9.1663 9.7290 9.7290 9.7290 9.7290 9.8200 9.8200 9.8200 9.8200 9.9647 9.9647 9.9647 9.9647 10.4467 10.4467 10.4467 10.4467 10.5167 10.5167 10.5167 10.5167 11.1582 11.1582 11.1582 11.1582 11.3627 11.3627 11.3627 11.3627 11.7681 11.7681 11.7681 11.7681 k = 0.0000 0.1106 0.2733 ( 7312 PWs) bands (ev): 1.2276 1.2276 1.2276 1.2276 2.8022 2.8022 2.8022 2.8022 5.9653 5.9653 5.9653 5.9653 6.5867 6.5867 6.5867 6.5867 7.4447 7.4447 7.4447 7.4447 7.5972 7.5972 7.5972 7.5972 8.1977 8.1977 8.1977 8.1977 8.2910 8.2910 8.2910 8.2910 8.8682 8.8682 8.8682 8.8682 9.0950 9.0950 9.0950 9.0950 9.1607 9.1607 9.1607 9.1607 9.7137 9.7137 9.7137 9.7137 9.8188 9.8188 9.8188 9.8188 9.9595 9.9595 9.9595 9.9595 10.4571 10.4571 10.4571 10.4571 10.5311 10.5311 10.5311 10.5311 11.1420 11.1420 11.1420 11.1420 11.3586 11.3586 11.3586 11.3586 11.7779 11.7779 11.7779 11.7779 k = 0.0000 0.0983 0.2733 ( 7324 PWs) bands (ev): 1.2080 1.2080 1.2080 1.2080 2.8378 2.8378 2.8378 2.8378 5.9563 5.9563 5.9563 5.9563 6.6061 6.6061 6.6061 6.6061 7.4304 7.4304 7.4304 7.4304 7.5640 7.5640 7.5640 7.5640 8.2105 8.2105 8.2105 8.2105 8.2696 8.2696 8.2696 8.2696 8.8914 8.8914 8.8914 8.8914 9.0982 9.0982 9.0982 9.0982 9.1573 9.1573 9.1573 9.1573 9.6957 9.6957 9.6957 9.6957 9.8172 9.8172 9.8172 9.8172 9.9541 9.9541 9.9541 9.9541 10.4672 10.4672 10.4672 10.4672 10.5451 10.5451 10.5451 10.5451 11.1272 11.1272 11.1272 11.1272 11.3546 11.3546 11.3546 11.3546 11.7872 11.7872 11.7872 11.7872 k = 0.0000 0.0860 0.2733 ( 7316 PWs) bands (ev): 1.1905 1.1905 1.1905 1.1905 2.8704 2.8704 2.8704 2.8704 5.9481 5.9481 5.9481 5.9481 6.6250 6.6250 6.6250 6.6250 7.4177 7.4177 7.4177 7.4177 7.5324 7.5324 7.5324 7.5324 8.2207 8.2207 8.2207 8.2207 8.2497 8.2497 8.2497 8.2497 8.9149 8.9149 8.9149 8.9149 9.1011 9.1011 9.1011 9.1011 9.1569 9.1569 9.1569 9.1569 9.6752 9.6752 9.6752 9.6752 9.8152 9.8152 9.8152 9.8152 9.9489 9.9489 9.9489 9.9489 10.4770 10.4770 10.4770 10.4770 10.5584 10.5584 10.5584 10.5584 11.1140 11.1140 11.1140 11.1140 11.3508 11.3508 11.3508 11.3508 11.7959 11.7959 11.7959 11.7959 k = 0.0000 0.0737 0.2733 ( 7320 PWs) bands (ev): 1.1752 1.1752 1.1752 1.1752 2.8994 2.8994 2.8994 2.8994 5.9407 5.9407 5.9407 5.9407 6.6428 6.6428 6.6428 6.6428 7.4065 7.4065 7.4065 7.4065 7.5032 7.5032 7.5032 7.5032 8.2210 8.2210 8.2210 8.2210 8.2396 8.2396 8.2396 8.2396 8.9370 8.9370 8.9370 8.9370 9.1037 9.1037 9.1037 9.1037 9.1598 9.1598 9.1598 9.1598 9.6530 9.6530 9.6530 9.6530 9.8130 9.8130 9.8130 9.8130 9.9441 9.9441 9.9441 9.9441 10.4860 10.4860 10.4860 10.4860 10.5705 10.5705 10.5705 10.5705 11.1025 11.1025 11.1025 11.1025 11.3473 11.3473 11.3473 11.3473 11.8038 11.8038 11.8038 11.8038 k = 0.0000 0.0614 0.2733 ( 7308 PWs) bands (ev): 1.1622 1.1622 1.1622 1.1622 2.9245 2.9245 2.9245 2.9245 5.9342 5.9342 5.9342 5.9342 6.6592 6.6592 6.6592 6.6592 7.3970 7.3970 7.3970 7.3970 7.4770 7.4770 7.4770 7.4770 8.2066 8.2066 8.2066 8.2066 8.2446 8.2446 8.2446 8.2446 8.9565 8.9565 8.9565 8.9565 9.1061 9.1061 9.1061 9.1061 9.1662 9.1662 9.1662 9.1662 9.6298 9.6298 9.6298 9.6298 9.8109 9.8109 9.8109 9.8109 9.9399 9.9399 9.9399 9.9399 10.4941 10.4941 10.4941 10.4941 10.5812 10.5812 10.5812 10.5812 11.0927 11.0927 11.0927 11.0927 11.3442 11.3442 11.3442 11.3442 11.8107 11.8107 11.8107 11.8107 k = 0.0000 0.0491 0.2733 ( 7286 PWs) bands (ev): 1.1515 1.1515 1.1515 1.1515 2.9456 2.9456 2.9456 2.9456 5.9288 5.9288 5.9288 5.9288 6.6735 6.6735 6.6735 6.6735 7.3891 7.3891 7.3891 7.3891 7.4544 7.4544 7.4544 7.4544 8.1919 8.1919 8.1919 8.1919 8.2510 8.2510 8.2510 8.2510 8.9722 8.9722 8.9722 8.9722 9.1082 9.1082 9.1082 9.1082 9.1757 9.1757 9.1757 9.1757 9.6068 9.6068 9.6068 9.6068 9.8089 9.8089 9.8089 9.8089 9.9364 9.9364 9.9364 9.9364 10.5011 10.5011 10.5011 10.5011 10.5902 10.5902 10.5902 10.5902 11.0847 11.0847 11.0847 11.0847 11.3416 11.3416 11.3416 11.3416 11.8165 11.8165 11.8165 11.8165 k = 0.0000 0.0369 0.2733 ( 7286 PWs) bands (ev): 1.1431 1.1431 1.1431 1.1431 2.9622 2.9622 2.9622 2.9622 5.9245 5.9245 5.9245 5.9245 6.6854 6.6854 6.6854 6.6854 7.3829 7.3829 7.3829 7.3829 7.4360 7.4360 7.4360 7.4360 8.1797 8.1797 8.1797 8.1797 8.2563 8.2563 8.2563 8.2563 8.9838 8.9838 8.9838 8.9838 9.1100 9.1100 9.1100 9.1100 9.1871 9.1871 9.1871 9.1871 9.5855 9.5855 9.5855 9.5855 9.8071 9.8071 9.8071 9.8071 9.9336 9.9336 9.9336 9.9336 10.5067 10.5067 10.5067 10.5067 10.5974 10.5974 10.5974 10.5974 11.0785 11.0785 11.0785 11.0785 11.3394 11.3394 11.3394 11.3394 11.8211 11.8211 11.8211 11.8211 k = 0.0000 0.0246 0.2733 ( 7286 PWs) bands (ev): 1.1371 1.1371 1.1371 1.1371 2.9742 2.9742 2.9742 2.9742 5.9213 5.9213 5.9213 5.9213 6.6942 6.6942 6.6942 6.6942 7.3785 7.3785 7.3785 7.3785 7.4225 7.4225 7.4225 7.4225 8.1706 8.1706 8.1706 8.1706 8.2602 8.2602 8.2602 8.2602 8.9914 8.9914 8.9914 8.9914 9.1113 9.1113 9.1113 9.1113 9.1983 9.1983 9.1983 9.1983 9.5679 9.5679 9.5679 9.5679 9.8058 9.8058 9.8058 9.8058 9.9316 9.9316 9.9316 9.9316 10.5108 10.5108 10.5108 10.5108 10.6026 10.6026 10.6026 10.6026 11.0740 11.0740 11.0740 11.0740 11.3379 11.3379 11.3379 11.3379 11.8244 11.8244 11.8244 11.8244 k = 0.0000 0.0123 0.2733 ( 7282 PWs) bands (ev): 1.1335 1.1335 1.1335 1.1335 2.9815 2.9815 2.9815 2.9815 5.9194 5.9194 5.9194 5.9194 6.6998 6.6998 6.6998 6.6998 7.3757 7.3757 7.3757 7.3757 7.4142 7.4142 7.4142 7.4142 8.1651 8.1651 8.1651 8.1651 8.2625 8.2625 8.2625 8.2625 8.9958 8.9958 8.9958 8.9958 9.1121 9.1121 9.1121 9.1121 9.2064 9.2064 9.2064 9.2064 9.5560 9.5560 9.5560 9.5560 9.8050 9.8050 9.8050 9.8050 9.9304 9.9304 9.9304 9.9304 10.5134 10.5134 10.5134 10.5134 10.6057 10.6057 10.6057 10.6057 11.0714 11.0714 11.0714 11.0714 11.3369 11.3369 11.3369 11.3369 11.8265 11.8265 11.8265 11.8265 k = 0.0000 0.0000 0.2733 ( 7282 PWs) bands (ev): 1.1323 1.1323 1.1323 1.1323 2.9839 2.9839 2.9839 2.9839 5.9188 5.9188 5.9188 5.9188 6.7016 6.7016 6.7016 6.7016 7.3748 7.3748 7.3748 7.3748 7.4114 7.4114 7.4114 7.4114 8.1632 8.1632 8.1632 8.1632 8.2633 8.2633 8.2633 8.2633 8.9971 8.9971 8.9971 8.9971 9.1124 9.1124 9.1124 9.1124 9.2095 9.2095 9.2095 9.2095 9.5518 9.5518 9.5518 9.5518 9.8047 9.8047 9.8047 9.8047 9.9300 9.9300 9.9300 9.9300 10.5142 10.5142 10.5142 10.5142 10.6068 10.6068 10.6068 10.6068 11.0705 11.0705 11.0705 11.0705 11.3366 11.3366 11.3366 11.3366 11.8271 11.8271 11.8271 11.8271 k = 0.0000 0.3072-0.0000 ( 7304 PWs) bands (ev): 1.3273 1.3273 1.3273 1.3273 2.6828 2.6828 2.6828 2.6828 5.4844 5.4844 5.4844 5.4844 7.1798 7.1798 7.1798 7.1798 7.5824 7.5824 7.5824 7.5824 7.6336 7.6336 7.6336 7.6336 8.0003 8.0003 8.0003 8.0003 8.2307 8.2307 8.2307 8.2307 8.8924 8.8924 8.8924 8.8924 8.9705 8.9705 8.9705 8.9705 9.5964 9.5964 9.5964 9.5964 9.7256 9.7256 9.7256 9.7256 9.9393 9.9393 9.9393 9.9393 10.1127 10.1127 10.1127 10.1127 10.1925 10.1925 10.1925 10.1925 10.4428 10.4428 10.4428 10.4428 10.8694 10.8694 10.8694 10.8694 11.6027 11.6027 11.6027 11.6027 12.0451 12.0451 12.0451 12.0451 k = 0.0000 0.3072 0.0124 ( 7306 PWs) bands (ev): 1.3284 1.3284 1.3284 1.3284 2.6808 2.6808 2.6808 2.6808 5.4865 5.4865 5.4865 5.4865 7.1745 7.1745 7.1745 7.1745 7.5830 7.5830 7.5830 7.5830 7.6378 7.6378 7.6378 7.6378 8.0014 8.0014 8.0014 8.0014 8.2292 8.2292 8.2292 8.2292 8.8932 8.8932 8.8932 8.8932 8.9706 8.9706 8.9706 8.9706 9.5956 9.5956 9.5956 9.5956 9.7267 9.7267 9.7267 9.7267 9.9346 9.9346 9.9346 9.9346 10.1159 10.1159 10.1159 10.1159 10.1928 10.1928 10.1928 10.1928 10.4406 10.4406 10.4406 10.4406 10.8715 10.8715 10.8715 10.8715 11.6018 11.6018 11.6018 11.6018 12.0398 12.0398 12.0398 12.0398 k = 0.0000 0.3072 0.0248 ( 7304 PWs) bands (ev): 1.3315 1.3315 1.3315 1.3315 2.6748 2.6748 2.6748 2.6748 5.4927 5.4927 5.4927 5.4927 7.1593 7.1593 7.1593 7.1593 7.5845 7.5845 7.5845 7.5845 7.6498 7.6498 7.6498 7.6498 8.0048 8.0048 8.0048 8.0048 8.2247 8.2247 8.2247 8.2247 8.8956 8.8956 8.8956 8.8956 8.9709 8.9709 8.9709 8.9709 9.5933 9.5933 9.5933 9.5933 9.7301 9.7301 9.7301 9.7301 9.9217 9.9217 9.9217 9.9217 10.1245 10.1245 10.1245 10.1245 10.1938 10.1938 10.1938 10.1938 10.4340 10.4340 10.4340 10.4340 10.8780 10.8780 10.8780 10.8780 11.5991 11.5991 11.5991 11.5991 12.0256 12.0256 12.0256 12.0256 k = 0.0000 0.3072 0.0373 ( 7310 PWs) bands (ev): 1.3366 1.3366 1.3366 1.3366 2.6650 2.6650 2.6650 2.6650 5.5031 5.5031 5.5031 5.5031 7.1356 7.1356 7.1356 7.1356 7.5871 7.5871 7.5871 7.5871 7.6681 7.6681 7.6681 7.6681 8.0103 8.0103 8.0103 8.0103 8.2174 8.2174 8.2174 8.2174 8.8995 8.8995 8.8995 8.8995 8.9716 8.9716 8.9716 8.9716 9.5892 9.5892 9.5892 9.5892 9.7353 9.7353 9.7353 9.7353 9.9031 9.9031 9.9031 9.9031 10.1363 10.1363 10.1363 10.1363 10.1958 10.1958 10.1958 10.1958 10.4230 10.4230 10.4230 10.4230 10.8887 10.8887 10.8887 10.8887 11.5947 11.5948 11.5948 11.5948 12.0056 12.0056 12.0056 12.0056 k = 0.0000 0.3072 0.0497 ( 7316 PWs) bands (ev): 1.3438 1.3438 1.3438 1.3438 2.6514 2.6514 2.6514 2.6514 5.5174 5.5174 5.5174 5.5174 7.1053 7.1053 7.1053 7.1053 7.5907 7.5907 7.5907 7.5907 7.6907 7.6907 7.6907 7.6907 8.0180 8.0180 8.0180 8.0180 8.2074 8.2074 8.2074 8.2074 8.9049 8.9049 8.9049 8.9049 8.9727 8.9727 8.9727 8.9727 9.5830 9.5830 9.5830 9.5830 9.7423 9.7423 9.7423 9.7423 9.8812 9.8812 9.8812 9.8812 10.1492 10.1492 10.1492 10.1492 10.1993 10.1993 10.1993 10.1993 10.4077 10.4077 10.4077 10.4077 10.9035 10.9035 10.9035 10.9035 11.5887 11.5887 11.5887 11.5887 11.9830 11.9830 11.9830 11.9830 k = 0.0000 0.3072 0.0621 ( 7324 PWs) bands (ev): 1.3529 1.3529 1.3529 1.3529 2.6344 2.6344 2.6344 2.6344 5.5356 5.5356 5.5356 5.5356 7.0701 7.0701 7.0701 7.0701 7.5952 7.5952 7.5952 7.5952 7.7160 7.7160 7.7160 7.7160 8.0278 8.0278 8.0278 8.0278 8.1949 8.1949 8.1949 8.1949 8.9116 8.9116 8.9116 8.9116 8.9743 8.9743 8.9743 8.9743 9.5742 9.5742 9.5742 9.5742 9.7504 9.7504 9.7504 9.7504 9.8581 9.8581 9.8581 9.8581 10.1616 10.1616 10.1616 10.1616 10.2050 10.2050 10.2050 10.2050 10.3882 10.3882 10.3882 10.3882 10.9222 10.9222 10.9222 10.9222 11.5812 11.5812 11.5812 11.5812 11.9596 11.9596 11.9596 11.9596 k = 0.0000 0.3072 0.0745 ( 7324 PWs) bands (ev): 1.3640 1.3640 1.3640 1.3640 2.6141 2.6141 2.6141 2.6141 5.5573 5.5573 5.5573 5.5573 7.0312 7.0312 7.0312 7.0312 7.6008 7.6008 7.6008 7.6008 7.7425 7.7425 7.7425 7.7425 8.0397 8.0397 8.0397 8.0397 8.1802 8.1802 8.1802 8.1802 8.9195 8.9195 8.9195 8.9195 8.9765 8.9765 8.9765 8.9765 9.5625 9.5625 9.5625 9.5625 9.7590 9.7590 9.7590 9.7590 9.8355 9.8355 9.8355 9.8355 10.1726 10.1726 10.1726 10.1726 10.2134 10.2134 10.2134 10.2134 10.3651 10.3651 10.3651 10.3651 10.9444 10.9444 10.9444 10.9444 11.5723 11.5723 11.5723 11.5723 11.9365 11.9365 11.9365 11.9365 k = 0.0000 0.3072 0.0870 ( 7332 PWs) bands (ev): 1.3768 1.3768 1.3768 1.3768 2.5909 2.5909 2.5909 2.5909 5.5823 5.5823 5.5823 5.5823 6.9896 6.9896 6.9896 6.9896 7.6075 7.6075 7.6075 7.6075 7.7691 7.7691 7.7691 7.7691 8.0535 8.0535 8.0535 8.0535 8.1637 8.1637 8.1637 8.1637 8.9285 8.9285 8.9285 8.9285 8.9794 8.9794 8.9794 8.9794 9.5471 9.5471 9.5471 9.5471 9.7671 9.7671 9.7671 9.7671 9.8152 9.8152 9.8152 9.8152 10.1823 10.1823 10.1823 10.1823 10.2239 10.2239 10.2239 10.2239 10.3392 10.3392 10.3392 10.3392 10.9696 10.9696 10.9696 10.9696 11.5622 11.5622 11.5622 11.5622 11.9143 11.9143 11.9143 11.9143 k = 0.0000 0.3072 0.0994 ( 7324 PWs) bands (ev): 1.3914 1.3914 1.3914 1.3914 2.5651 2.5651 2.5651 2.5651 5.6104 5.6104 5.6104 5.6104 6.9461 6.9461 6.9461 6.9461 7.6151 7.6151 7.6151 7.6151 7.7951 7.7951 7.7951 7.7951 8.0692 8.0692 8.0692 8.0692 8.1455 8.1455 8.1455 8.1455 8.9384 8.9384 8.9384 8.9384 8.9831 8.9831 8.9831 8.9831 9.5280 9.5280 9.5280 9.5280 9.7730 9.7730 9.7730 9.7730 9.7993 9.7993 9.7993 9.7993 10.1916 10.1916 10.1916 10.1916 10.2347 10.2347 10.2347 10.2347 10.3124 10.3124 10.3124 10.3124 10.9972 10.9972 10.9972 10.9972 11.5510 11.5510 11.5510 11.5510 11.8932 11.8932 11.8932 11.8932 k = 0.0000 0.3072 0.1118 ( 7318 PWs) bands (ev): 1.4076 1.4076 1.4076 1.4076 2.5371 2.5371 2.5371 2.5371 5.6413 5.6413 5.6413 5.6413 6.9011 6.9011 6.9011 6.9011 7.6237 7.6237 7.6237 7.6237 7.8198 7.8198 7.8198 7.8198 8.0865 8.0865 8.0865 8.0865 8.1260 8.1260 8.1260 8.1260 8.9490 8.9490 8.9490 8.9490 8.9877 8.9877 8.9877 8.9877 9.5050 9.5050 9.5050 9.5050 9.7713 9.7713 9.7713 9.7713 9.7931 9.7931 9.7931 9.7931 10.2010 10.2010 10.2010 10.2010 10.2404 10.2404 10.2404 10.2404 10.2903 10.2903 10.2903 10.2903 11.0268 11.0268 11.0268 11.0268 11.5389 11.5389 11.5389 11.5389 11.8731 11.8731 11.8731 11.8731 k = 0.0000 0.3072 0.1242 ( 7316 PWs) bands (ev): 1.4253 1.4253 1.4253 1.4253 2.5074 2.5074 2.5074 2.5074 5.6746 5.6746 5.6746 5.6746 6.8552 6.8552 6.8552 6.8552 7.6332 7.6332 7.6332 7.6332 7.8429 7.8429 7.8429 7.8429 8.1012 8.1012 8.1012 8.1012 8.1096 8.1096 8.1096 8.1096 8.9602 8.9602 8.9602 8.9602 8.9931 8.9931 8.9931 8.9931 9.4787 9.4787 9.4787 9.4787 9.7633 9.7633 9.7633 9.7633 9.7950 9.7950 9.7950 9.7950 10.2061 10.2061 10.2061 10.2061 10.2332 10.2332 10.2332 10.2332 10.2858 10.2858 10.2858 10.2858 11.0578 11.0578 11.0578 11.0578 11.5261 11.5261 11.5261 11.5261 11.8539 11.8539 11.8539 11.8539 k = 0.0000 0.3072 0.1367 ( 7322 PWs) bands (ev): 1.4443 1.4443 1.4443 1.4443 2.4763 2.4763 2.4763 2.4763 5.7102 5.7102 5.7102 5.7102 6.8085 6.8085 6.8085 6.8085 7.6437 7.6437 7.6437 7.6437 7.8639 7.8639 7.8639 7.8639 8.0828 8.0828 8.0828 8.0828 8.1268 8.1268 8.1268 8.1268 8.9718 8.9718 8.9718 8.9718 8.9994 8.9994 8.9994 8.9994 9.4496 9.4496 9.4496 9.4496 9.7559 9.7559 9.7559 9.7559 9.7976 9.7976 9.7976 9.7976 10.1880 10.1880 10.1880 10.1880 10.2366 10.2366 10.2366 10.2366 10.2950 10.2950 10.2950 10.2950 11.0897 11.0897 11.0897 11.0897 11.5127 11.5127 11.5127 11.5127 11.8354 11.8354 11.8354 11.8354 k = 0.0000 0.3072 0.1491 ( 7322 PWs) bands (ev): 1.4643 1.4643 1.4643 1.4643 2.4443 2.4443 2.4443 2.4443 5.7475 5.7475 5.7475 5.7475 6.7615 6.7615 6.7615 6.7615 7.6551 7.6551 7.6551 7.6551 7.8828 7.8828 7.8828 7.8828 8.0607 8.0607 8.0607 8.0607 8.1480 8.1480 8.1480 8.1480 8.9836 8.9836 8.9836 8.9836 9.0065 9.0065 9.0065 9.0065 9.4188 9.4188 9.4188 9.4188 9.7508 9.7508 9.7508 9.7508 9.7987 9.7987 9.7987 9.7987 10.1566 10.1566 10.1566 10.1566 10.2509 10.2509 10.2509 10.2509 10.3077 10.3077 10.3077 10.3077 11.1221 11.1221 11.1221 11.1221 11.4989 11.4989 11.4989 11.4989 11.8173 11.8173 11.8173 11.8173 k = 0.0000 0.3072 0.1615 ( 7318 PWs) bands (ev): 1.4850 1.4850 1.4850 1.4850 2.4119 2.4119 2.4119 2.4119 5.7864 5.7864 5.7864 5.7864 6.7143 6.7143 6.7143 6.7143 7.6675 7.6675 7.6675 7.6675 7.8994 7.8994 7.8994 7.8994 8.0382 8.0382 8.0382 8.0382 8.1700 8.1700 8.1700 8.1700 8.9954 8.9954 8.9954 8.9954 9.0141 9.0141 9.0141 9.0141 9.3870 9.3870 9.3870 9.3870 9.7479 9.7479 9.7479 9.7479 9.7982 9.7982 9.7982 9.7982 10.1229 10.1229 10.1229 10.1229 10.2680 10.2680 10.2680 10.2680 10.3213 10.3213 10.3213 10.3213 11.1545 11.1545 11.1545 11.1545 11.4851 11.4851 11.4851 11.4851 11.7995 11.7995 11.7995 11.7995 k = 0.0000 0.3072 0.1739 ( 7324 PWs) bands (ev): 1.5062 1.5062 1.5062 1.5062 2.3797 2.3797 2.3797 2.3797 5.8265 5.8265 5.8265 5.8265 6.6672 6.6672 6.6672 6.6672 7.6806 7.6806 7.6806 7.6806 7.9138 7.9138 7.9138 7.9138 8.0154 8.0154 8.0154 8.0154 8.1922 8.1922 8.1922 8.1922 9.0069 9.0069 9.0069 9.0069 9.0222 9.0222 9.0222 9.0222 9.3553 9.3553 9.3553 9.3553 9.7470 9.7470 9.7470 9.7470 9.7962 9.7962 9.7962 9.7962 10.0890 10.0890 10.0890 10.0890 10.2861 10.2861 10.2861 10.2861 10.3350 10.3350 10.3350 10.3350 11.1866 11.1866 11.1866 11.1866 11.4713 11.4713 11.4713 11.4713 11.7820 11.7820 11.7820 11.7820 k = 0.0000 0.3072 0.1863 ( 7316 PWs) bands (ev): 1.5275 1.5275 1.5275 1.5275 2.3483 2.3483 2.3483 2.3483 5.8673 5.8673 5.8673 5.8673 6.6205 6.6205 6.6205 6.6205 7.6946 7.6946 7.6946 7.6946 7.9261 7.9261 7.9261 7.9261 7.9928 7.9928 7.9928 7.9928 8.2142 8.2142 8.2142 8.2142 9.0179 9.0179 9.0179 9.0179 9.0303 9.0303 9.0303 9.0303 9.3245 9.3245 9.3245 9.3245 9.7480 9.7480 9.7480 9.7480 9.7930 9.7930 9.7930 9.7930 10.0561 10.0561 10.0561 10.0561 10.3038 10.3038 10.3038 10.3038 10.3489 10.3489 10.3489 10.3489 11.2177 11.2177 11.2177 11.2177 11.4580 11.4580 11.4580 11.4580 11.7646 11.7646 11.7646 11.7646 k = 0.0000 0.3072 0.1988 ( 7312 PWs) bands (ev): 1.5482 1.5482 1.5482 1.5482 2.3184 2.3184 2.3184 2.3184 5.9083 5.9083 5.9083 5.9083 6.5746 6.5746 6.5746 6.5746 7.7092 7.7092 7.7092 7.7092 7.9360 7.9360 7.9360 7.9360 7.9706 7.9706 7.9706 7.9706 8.2352 8.2352 8.2352 8.2352 9.0282 9.0282 9.0282 9.0282 9.0383 9.0383 9.0383 9.0383 9.2954 9.2954 9.2954 9.2954 9.7505 9.7505 9.7505 9.7505 9.7893 9.7893 9.7893 9.7893 10.0248 10.0248 10.0248 10.0248 10.3200 10.3200 10.3200 10.3200 10.3629 10.3629 10.3629 10.3629 11.2474 11.2474 11.2474 11.2474 11.4454 11.4454 11.4454 11.4454 11.7475 11.7475 11.7475 11.7475 k = 0.0000 0.3072 0.2112 ( 7312 PWs) bands (ev): 1.5679 1.5679 1.5679 1.5679 2.2908 2.2908 2.2908 2.2908 5.9489 5.9489 5.9489 5.9489 6.5301 6.5301 6.5301 6.5301 7.7244 7.7244 7.7244 7.7244 7.9410 7.9410 7.9410 7.9410 7.9520 7.9520 7.9520 7.9520 8.2547 8.2547 8.2547 8.2547 9.0376 9.0376 9.0376 9.0376 9.0457 9.0457 9.0457 9.0457 9.2689 9.2689 9.2689 9.2689 9.7540 9.7540 9.7540 9.7540 9.7856 9.7856 9.7856 9.7856 9.9956 9.9956 9.9956 9.9956 10.3338 10.3338 10.3338 10.3338 10.3770 10.3770 10.3770 10.3770 11.2749 11.2749 11.2749 11.2749 11.4340 11.4340 11.4340 11.4340 11.7309 11.7309 11.7309 11.7309 k = 0.0000 0.3072 0.2236 ( 7312 PWs) bands (ev): 1.5857 1.5857 1.5857 1.5857 2.2662 2.2662 2.2662 2.2662 5.9881 5.9881 5.9881 5.9881 6.4879 6.4879 6.4879 6.4879 7.7399 7.7399 7.7399 7.7399 7.9253 7.9253 7.9253 7.9253 7.9531 7.9531 7.9531 7.9531 8.2720 8.2720 8.2720 8.2720 9.0457 9.0457 9.0457 9.0457 9.0523 9.0523 9.0523 9.0523 9.2457 9.2457 9.2457 9.2457 9.7578 9.7578 9.7578 9.7578 9.7829 9.7829 9.7829 9.7829 9.9692 9.9692 9.9692 9.9692 10.3446 10.3446 10.3446 10.3446 10.3906 10.3906 10.3906 10.3906 11.2994 11.2994 11.2994 11.2994 11.4243 11.4243 11.4243 11.4243 11.7154 11.7154 11.7154 11.7154 k = 0.0000 0.3072 0.2360 ( 7312 PWs) bands (ev): 1.6009 1.6009 1.6009 1.6009 2.2457 2.2457 2.2457 2.2457 6.0244 6.0244 6.0244 6.0244 6.4493 6.4493 6.4493 6.4493 7.7552 7.7552 7.7552 7.7552 7.9059 7.9059 7.9059 7.9059 7.9576 7.9576 7.9576 7.9576 8.2864 8.2864 8.2864 8.2864 9.0524 9.0524 9.0524 9.0524 9.0576 9.0576 9.0576 9.0576 9.2267 9.2267 9.2267 9.2267 9.7607 9.7607 9.7607 9.7607 9.7823 9.7823 9.7823 9.7823 9.9464 9.9464 9.9464 9.9464 10.3527 10.3527 10.3527 10.3527 10.4027 10.4027 10.4027 10.4027 11.3198 11.3198 11.3198 11.3198 11.4167 11.4167 11.4167 11.4167 11.7016 11.7016 11.7016 11.7016 k = 0.0000 0.3072 0.2485 ( 7304 PWs) bands (ev): 1.6125 1.6125 1.6125 1.6125 2.2302 2.2302 2.2302 2.2302 6.0553 6.0553 6.0553 6.0553 6.4168 6.4168 6.4168 6.4168 7.7694 7.7694 7.7694 7.7694 7.8886 7.8886 7.8886 7.8886 7.9610 7.9610 7.9610 7.9610 8.2972 8.2972 8.2972 8.2972 9.0576 9.0576 9.0576 9.0576 9.0613 9.0613 9.0613 9.0613 9.2125 9.2125 9.2125 9.2125 9.7617 9.7617 9.7617 9.7617 9.7843 9.7843 9.7843 9.7843 9.9283 9.9283 9.9283 9.9283 10.3582 10.3582 10.3582 10.3582 10.4122 10.4122 10.4122 10.4122 11.3351 11.3351 11.3351 11.3351 11.4117 11.4117 11.4117 11.4117 11.6905 11.6905 11.6905 11.6905 k = 0.0000 0.3072 0.2609 ( 7300 PWs) bands (ev): 1.6199 1.6199 1.6199 1.6199 2.2205 2.2205 2.2205 2.2205 6.0770 6.0770 6.0770 6.0770 6.3942 6.3942 6.3942 6.3942 7.7806 7.7806 7.7806 7.7806 7.8756 7.8756 7.8756 7.8756 7.9631 7.9631 7.9631 7.9631 8.3039 8.3039 8.3039 8.3039 9.0611 9.0611 9.0611 9.0611 9.0634 9.0634 9.0634 9.0634 9.2038 9.2038 9.2038 9.2038 9.7616 9.7616 9.7616 9.7616 9.7871 9.7871 9.7871 9.7871 9.9163 9.9163 9.9163 9.9163 10.3615 10.3615 10.3615 10.3615 10.4182 10.4182 10.4182 10.4182 11.3443 11.3443 11.3443 11.3443 11.4091 11.4091 11.4091 11.4091 11.6833 11.6833 11.6833 11.6833 k = 0.0000 0.3072 0.2733 ( 7308 PWs) bands (ev): 1.6224 1.6224 1.6224 1.6224 2.2172 2.2172 2.2172 2.2172 6.0849 6.0849 6.0849 6.0849 6.3860 6.3860 6.3860 6.3860 7.7850 7.7850 7.7850 7.7850 7.8704 7.8704 7.8704 7.8704 7.9637 7.9637 7.9637 7.9637 8.3062 8.3062 8.3062 8.3062 9.0623 9.0623 9.0623 9.0623 9.0640 9.0640 9.0640 9.0640 9.2008 9.2008 9.2008 9.2008 9.7615 9.7615 9.7615 9.7615 9.7884 9.7884 9.7884 9.7884 9.9121 9.9121 9.9121 9.9121 10.3625 10.3625 10.3625 10.3625 10.4203 10.4203 10.4203 10.4203 11.3473 11.3473 11.3473 11.3473 11.4084 11.4084 11.4084 11.4084 11.6807 11.6807 11.6807 11.6807 k = 0.5000-0.0000 0.2733 ( 7300 PWs) bands (ev): 2.6744 2.6744 2.6744 2.6744 2.6813 2.6813 2.6813 2.6813 5.1890 5.1890 5.1890 5.1890 6.8874 6.8874 6.8874 6.8874 7.3851 7.3851 7.3851 7.3851 7.7998 7.7998 7.7998 7.7998 7.9563 7.9563 7.9563 7.9563 8.6310 8.6310 8.6310 8.6310 8.9223 8.9223 8.9223 8.9223 9.0832 9.0832 9.0832 9.0832 9.2638 9.2638 9.2638 9.2638 9.4510 9.4510 9.4510 9.4510 9.8605 9.8605 9.8605 9.8605 9.9115 9.9115 9.9115 9.9115 9.9734 9.9734 9.9734 9.9734 10.0553 10.0553 10.0553 10.0553 10.8299 10.8299 10.8299 10.8299 10.8773 10.8773 10.8773 10.8773 11.7560 11.7560 11.7560 11.7560 k = 0.5000-0.0000 0.2609 ( 7316 PWs) bands (ev): 2.6644 2.6644 2.6655 2.6655 2.6899 2.6899 2.6910 2.6910 5.1909 5.1909 5.1915 5.1915 6.8846 6.8846 6.8865 6.8865 7.3832 7.3832 7.3836 7.3836 7.7944 7.7944 7.7996 7.7996 7.9575 7.9575 7.9634 7.9634 8.6296 8.6296 8.6313 8.6313 8.9159 8.9159 8.9205 8.9205 9.0848 9.0848 9.0863 9.0863 9.2630 9.2630 9.2667 9.2667 9.4515 9.4515 9.4526 9.4526 9.8568 9.8568 9.8604 9.8604 9.9109 9.9109 9.9131 9.9131 9.9701 9.9701 9.9743 9.9743 10.0575 10.0575 10.0577 10.0577 10.8031 10.8031 10.8408 10.8408 10.8694 10.8694 10.9031 10.9031 11.7569 11.7569 11.7580 11.7580 k = 0.5000-0.0000 0.2485 ( 7318 PWs) bands (ev): 2.6521 2.6521 2.6532 2.6532 2.7014 2.7014 2.7026 2.7026 5.1971 5.1971 5.1984 5.1984 6.8782 6.8782 6.8820 6.8820 7.3780 7.3780 7.3788 7.3788 7.7851 7.7851 7.7943 7.7943 7.9668 7.9668 7.9775 7.9775 8.6274 8.6274 8.6305 8.6305 8.9025 8.9025 8.9113 8.9113 9.0903 9.0903 9.0930 9.0930 9.2648 9.2648 9.2714 9.2714 9.4541 9.4541 9.4562 9.4562 9.8495 9.8495 9.8562 9.8562 9.9112 9.9112 9.9159 9.9159 9.9657 9.9657 9.9727 9.9727 10.0639 10.0639 10.0641 10.0641 10.7762 10.7762 10.8196 10.8196 10.8955 10.8955 10.9311 10.9311 11.7606 11.7606 11.7629 11.7629 k = 0.5000-0.0000 0.2360 ( 7318 PWs) bands (ev): 2.6395 2.6395 2.6405 2.6405 2.7128 2.7128 2.7140 2.7140 5.2077 5.2077 5.2096 5.2096 6.8680 6.8680 6.8736 6.8736 7.3699 7.3699 7.3709 7.3709 7.7742 7.7742 7.7858 7.7858 7.9822 7.9822 7.9961 7.9961 8.6241 8.6241 8.6286 8.6286 8.8842 8.8842 8.8968 8.8968 9.0980 9.0980 9.1012 9.1012 9.2695 9.2695 9.2779 9.2779 9.4587 9.4587 9.4617 9.4617 9.8388 9.8388 9.8480 9.8480 9.9120 9.9120 9.9202 9.9202 9.9616 9.9616 9.9694 9.9694 10.0731 10.0731 10.0732 10.0732 10.7505 10.7505 10.7959 10.7959 10.9261 10.9261 10.9599 10.9599 11.7672 11.7672 11.7706 11.7706 k = 0.5000-0.0000 0.2236 ( 7310 PWs) bands (ev): 2.6268 2.6268 2.6277 2.6277 2.7238 2.7238 2.7250 2.7250 5.2226 5.2226 5.2250 5.2250 6.8539 6.8539 6.8613 6.8613 7.3592 7.3592 7.3604 7.3604 7.7632 7.7632 7.7761 7.7761 8.0012 8.0012 8.0175 8.0175 8.6196 8.6196 8.6252 8.6252 8.8631 8.8631 8.8790 8.8790 9.1064 9.1064 9.1090 9.1090 9.2772 9.2772 9.2862 9.2862 9.4649 9.4649 9.4687 9.4687 9.8254 9.8254 9.8361 9.8361 9.9125 9.9125 9.9259 9.9259 9.9595 9.9595 9.9650 9.9650 10.0837 10.0837 10.0842 10.0842 10.7263 10.7263 10.7728 10.7728 10.9579 10.9579 10.9896 10.9896 11.7766 11.7766 11.7812 11.7812 k = 0.5000-0.0000 0.2112 ( 7300 PWs) bands (ev): 2.6140 2.6140 2.6150 2.6150 2.7344 2.7344 2.7356 2.7356 5.2416 5.2416 5.2446 5.2446 6.8358 6.8358 6.8448 6.8448 7.3465 7.3465 7.3477 7.3477 7.7533 7.7533 7.7668 7.7668 8.0221 8.0221 8.0402 8.0402 8.6139 8.6139 8.6200 8.6200 8.8411 8.8411 8.8597 8.8597 9.1144 9.1144 9.1153 9.1153 9.2879 9.2879 9.2959 9.2959 9.4725 9.4725 9.4769 9.4769 9.8097 9.8097 9.8213 9.8213 9.9114 9.9114 9.9325 9.9325 9.9603 9.9603 9.9607 9.9607 10.0951 10.0951 10.0958 10.0958 10.7038 10.7038 10.7508 10.7508 10.9904 10.9904 11.0197 11.0197 11.7888 11.7888 11.7947 11.7947 k = 0.5000-0.0000 0.1988 ( 7300 PWs) bands (ev): 2.6014 2.6014 2.6023 2.6023 2.7445 2.7445 2.7457 2.7457 5.2646 5.2646 5.2683 5.2683 6.8135 6.8135 6.8239 6.8239 7.3323 7.3323 7.3334 7.3334 7.7453 7.7453 7.7589 7.7589 8.0436 8.0436 8.0633 8.0633 8.6064 8.6064 8.6125 8.6125 8.8198 8.8198 8.8402 8.8402 9.1199 9.1199 9.1215 9.1215 9.3010 9.3010 9.3070 9.3070 9.4813 9.4813 9.4860 9.4860 9.7925 9.7925 9.8043 9.8043 9.9080 9.9080 9.9377 9.9377 9.9574 9.9574 9.9656 9.9656 10.1066 10.1066 10.1075 10.1075 10.6830 10.6830 10.7301 10.7301 11.0234 11.0234 11.0503 11.0503 11.8037 11.8037 11.8109 11.8109 k = 0.5000-0.0000 0.1863 ( 7310 PWs) bands (ev): 2.5890 2.5890 2.5898 2.5898 2.7541 2.7541 2.7554 2.7554 5.2916 5.2916 5.2959 5.2959 6.7869 6.7869 6.7987 6.7987 7.3173 7.3173 7.3182 7.3182 7.7394 7.7394 7.7528 7.7528 8.0648 8.0648 8.0861 8.0861 8.5970 8.5970 8.6019 8.6019 8.8007 8.8007 8.8218 8.8218 9.1230 9.1230 9.1276 9.1276 9.3156 9.3156 9.3190 9.3190 9.4910 9.4910 9.4956 9.4956 9.7742 9.7742 9.7858 9.7858 9.9025 9.9025 9.9361 9.9361 9.9615 9.9615 9.9738 9.9738 10.1178 10.1178 10.1188 10.1188 10.6642 10.6642 10.7107 10.7107 11.0567 11.0567 11.0812 11.0812 11.8213 11.8213 11.8298 11.8298 k = 0.5000-0.0000 0.1739 ( 7310 PWs) bands (ev): 2.5769 2.5769 2.5776 2.5776 2.7633 2.7633 2.7645 2.7645 5.3222 5.3222 5.3272 5.3272 6.7562 6.7562 6.7690 6.7690 7.3018 7.3018 7.3024 7.3024 7.7359 7.7359 7.7490 7.7490 8.0851 8.0851 8.1079 8.1079 8.5851 8.5851 8.5878 8.5878 8.7850 8.7850 8.8057 8.8057 9.1250 9.1250 9.1326 9.1326 9.3310 9.3310 9.3315 9.3315 9.5013 9.5013 9.5056 9.5056 9.7554 9.7554 9.7665 9.7665 9.8955 9.8955 9.9288 9.9288 9.9714 9.9714 9.9844 9.9844 10.1285 10.1285 10.1296 10.1296 10.6472 10.6472 10.6927 10.6927 11.0901 11.0901 11.1123 11.1123 11.8413 11.8413 11.8513 11.8513 k = 0.5000-0.0000 0.1615 ( 7314 PWs) bands (ev): 2.5651 2.5651 2.5658 2.5658 2.7718 2.7718 2.7730 2.7730 5.3565 5.3565 5.3621 5.3621 6.7213 6.7213 6.7349 6.7349 7.2863 7.2863 7.2865 7.2865 7.7349 7.7349 7.7477 7.7477 8.1037 8.1037 8.1282 8.1282 8.5701 8.5701 8.5706 8.5706 8.7734 8.7734 8.7927 8.7927 9.1264 9.1264 9.1368 9.1368 9.3438 9.3438 9.3462 9.3462 9.5120 9.5120 9.5157 9.5157 9.7364 9.7364 9.7467 9.7467 9.8875 9.8875 9.9191 9.9191 9.9835 9.9835 9.9966 9.9966 10.1384 10.1384 10.1397 10.1397 10.6321 10.6321 10.6761 10.6761 11.1236 11.1236 11.1435 11.1435 11.8638 11.8638 11.8753 11.8753 k = 0.5000-0.0000 0.1491 ( 7292 PWs) bands (ev): 2.5538 2.5538 2.5544 2.5544 2.7799 2.7799 2.7810 2.7810 5.3941 5.3941 5.4003 5.4003 6.6824 6.6824 6.6967 6.6967 7.2709 7.2709 7.2710 7.2710 7.7365 7.7365 7.7490 7.7490 8.1202 8.1202 8.1465 8.1465 8.5493 8.5493 8.5537 8.5537 8.7660 8.7660 8.7832 8.7832 9.1276 9.1276 9.1404 9.1404 9.3556 9.3556 9.3606 9.3606 9.5230 9.5230 9.5259 9.5259 9.7178 9.7178 9.7271 9.7271 9.8788 9.8788 9.9080 9.9080 9.9967 9.9967 10.0100 10.0100 10.1475 10.1475 10.1489 10.1489 10.6189 10.6189 10.6608 10.6608 11.1570 11.1570 11.1747 11.1747 11.8884 11.8884 11.9015 11.9015 k = 0.5000-0.0000 0.1367 ( 7296 PWs) bands (ev): 2.5430 2.5430 2.5436 2.5436 2.7874 2.7874 2.7885 2.7885 5.4349 5.4349 5.4417 5.4417 6.6398 6.6398 6.6546 6.6546 7.2558 7.2558 7.2562 7.2562 7.7406 7.7406 7.7528 7.7528 8.1341 8.1341 8.1623 8.1623 8.5265 8.5265 8.5350 8.5350 8.7623 8.7623 8.7771 8.7771 9.1287 9.1287 9.1435 9.1435 9.3664 9.3664 9.3738 9.3738 9.5338 9.5338 9.5358 9.5358 9.6999 9.6999 9.7079 9.7079 9.8697 9.8697 9.8960 9.8960 10.0106 10.0106 10.0240 10.0240 10.1556 10.1556 10.1572 10.1572 10.6074 10.6074 10.6468 10.6468 11.1900 11.1900 11.2055 11.2055 11.9150 11.9150 11.9296 11.9296 k = 0.5000-0.0000 0.1242 ( 7308 PWs) bands (ev): 2.5328 2.5328 2.5334 2.5334 2.7943 2.7943 2.7953 2.7953 5.4787 5.4787 5.4861 5.4861 6.5939 6.5939 6.6090 6.6090 7.2414 7.2414 7.2421 7.2421 7.7472 7.7472 7.7592 7.7592 8.1448 8.1448 8.1749 8.1749 8.5029 8.5029 8.5154 8.5154 8.7615 8.7615 8.7741 8.7741 9.1299 9.1299 9.1463 9.1463 9.3759 9.3759 9.3852 9.3852 9.5439 9.5439 9.5452 9.5452 9.6834 9.6834 9.6900 9.6900 9.8603 9.8603 9.8834 9.8834 10.0249 10.0249 10.0383 10.0383 10.1626 10.1626 10.1645 10.1645 10.5976 10.5976 10.6341 10.6341 11.2225 11.2225 11.2359 11.2359 11.9432 11.9432 11.9594 11.9594 k = 0.5000-0.0000 0.1118 ( 7310 PWs) bands (ev): 2.5234 2.5234 2.5239 2.5239 2.8006 2.8006 2.8015 2.8015 5.5252 5.5252 5.5332 5.5332 6.5449 6.5449 6.5602 6.5602 7.2278 7.2278 7.2287 7.2287 7.7561 7.7561 7.7679 7.7679 8.1520 8.1520 8.1836 8.1836 8.4802 8.4802 8.4959 8.4959 8.7630 8.7630 8.7736 8.7736 9.1315 9.1315 9.1490 9.1490 9.3839 9.3839 9.3948 9.3948 9.5526 9.5526 9.5534 9.5534 9.6691 9.6691 9.6739 9.6739 9.8510 9.8510 9.8705 9.8705 10.0392 10.0392 10.0526 10.0526 10.1684 10.1684 10.1707 10.1707 10.5892 10.5892 10.6225 10.6225 11.2541 11.2541 11.2655 11.2655 11.9728 11.9728 11.9906 11.9906 k = 0.5000-0.0000 0.0994 ( 7310 PWs) bands (ev): 2.5147 2.5147 2.5152 2.5152 2.8063 2.8063 2.8072 2.8072 5.5742 5.5742 5.5828 5.5828 6.4933 6.4933 6.5086 6.5086 7.2152 7.2152 7.2163 7.2163 7.7671 7.7671 7.7787 7.7787 8.1551 8.1551 8.1878 8.1878 8.4596 8.4596 8.4777 8.4777 8.7661 8.7661 8.7750 8.7750 9.1334 9.1334 9.1514 9.1514 9.3904 9.3904 9.4025 9.4025 9.5587 9.5587 9.5595 9.5595 9.6582 9.6582 9.6607 9.6607 9.8419 9.8419 9.8578 9.8578 10.0533 10.0533 10.0666 10.0666 10.1732 10.1732 10.1758 10.1758 10.5821 10.5821 10.6121 10.6121 11.2845 11.2845 11.2940 11.2940 12.0033 12.0033 12.0227 12.0227 k = 0.5000-0.0000 0.0870 ( 7318 PWs) bands (ev): 2.5069 2.5069 2.5073 2.5073 2.8114 2.8114 2.8121 2.8121 5.6254 5.6254 5.6346 5.6346 6.4394 6.4394 6.4547 6.4547 7.2037 7.2037 7.2049 7.2049 7.7799 7.7799 7.7913 7.7913 8.1542 8.1542 8.1870 8.1870 8.4423 8.4423 8.4616 8.4616 8.7703 8.7703 8.7778 8.7778 9.1357 9.1357 9.1537 9.1537 9.3956 9.3956 9.4084 9.4084 9.5609 9.5609 9.5623 9.5623 9.6518 9.6518 9.6518 9.6518 9.8332 9.8332 9.8454 9.8454 10.0671 10.0671 10.0801 10.0801 10.1768 10.1768 10.1799 10.1799 10.5763 10.5763 10.6027 10.6027 11.3133 11.3133 11.3211 11.3211 12.0345 12.0345 12.0554 12.0554 k = 0.5000-0.0000 0.0745 ( 7306 PWs) bands (ev): 2.5000 2.5000 2.5004 2.5004 2.8158 2.8158 2.8165 2.8165 5.6787 5.6787 5.6885 5.6885 6.3836 6.3836 6.3988 6.3988 7.1935 7.1935 7.1946 7.1946 7.7941 7.7941 7.8053 7.8053 8.1494 8.1494 8.1809 8.1809 8.4292 8.4292 8.4482 8.4482 8.7751 8.7751 8.7813 8.7813 9.1384 9.1384 9.1557 9.1557 9.3996 9.3996 9.4125 9.4125 9.5590 9.5590 9.5612 9.5612 9.6478 9.6478 9.6503 9.6503 9.8250 9.8250 9.8339 9.8339 10.0802 10.0802 10.0927 10.0927 10.1793 10.1793 10.1828 10.1828 10.5716 10.5716 10.5943 10.5943 11.3400 11.3400 11.3463 11.3463 12.0660 12.0660 12.0883 12.0883 k = 0.5000-0.0000 0.0621 ( 7310 PWs) bands (ev): 2.4941 2.4941 2.4944 2.4944 2.8196 2.8196 2.8202 2.8202 5.7337 5.7337 5.7441 5.7441 6.3263 6.3263 6.3412 6.3412 7.1846 7.1846 7.1857 7.1857 7.8093 7.8093 7.8200 7.8200 8.1414 8.1414 8.1704 8.1704 8.4202 8.4202 8.4376 8.4376 8.7800 8.7800 8.7851 8.7851 9.1414 9.1414 9.1573 9.1573 9.4028 9.4028 9.4152 9.4152 9.5539 9.5539 9.5566 9.5566 9.6483 9.6483 9.6525 9.6525 9.8174 9.8174 9.8234 9.8234 10.0925 10.0925 10.1042 10.1042 10.1807 10.1807 10.1847 10.1847 10.5680 10.5680 10.5869 10.5869 11.3641 11.3641 11.3690 11.3690 12.0976 12.0976 12.1210 12.1210 k = 0.5000-0.0000 0.0497 ( 7294 PWs) bands (ev): 2.4892 2.4892 2.4894 2.4894 2.8227 2.8227 2.8232 2.8232 5.7903 5.7903 5.8013 5.8013 6.2677 6.2677 6.2824 6.2824 7.1772 7.1772 7.1782 7.1782 7.8247 7.8247 7.8346 7.8346 8.1315 8.1315 8.1566 8.1566 8.4149 8.4149 8.4295 8.4295 8.7847 8.7847 8.7887 8.7887 9.1446 9.1446 9.1584 9.1584 9.4053 9.4053 9.4166 9.4166 9.5475 9.5475 9.5502 9.5502 9.6516 9.6516 9.6566 9.6566 9.8108 9.8108 9.8143 9.8143 10.1037 10.1037 10.1143 10.1143 10.1814 10.1814 10.1855 10.1855 10.5654 10.5654 10.5806 10.5806 11.3850 11.3850 11.3887 11.3887 12.1290 12.1290 12.1533 12.1533 k = 0.5000-0.0000 0.0373 ( 7306 PWs) bands (ev): 2.4854 2.4854 2.4855 2.4855 2.8252 2.8252 2.8255 2.8255 5.8482 5.8482 5.8597 5.8597 6.2082 6.2082 6.2225 6.2225 7.1714 7.1714 7.1721 7.1721 7.8393 7.8393 7.8479 7.8479 8.1213 8.1213 8.1416 8.1416 8.4123 8.4123 8.4236 8.4236 8.7887 8.7887 8.7918 8.7918 9.1478 9.1478 9.1589 9.1589 9.4075 9.4075 9.4168 9.4168 9.5413 9.5413 9.5437 9.5437 9.6561 9.6561 9.6608 9.6608 9.8051 9.8051 9.8068 9.8068 10.1136 10.1136 10.1226 10.1226 10.1814 10.1814 10.1854 10.1854 10.5638 10.5638 10.5752 10.5752 11.4022 11.4022 11.4048 11.4048 12.1599 12.1599 12.1843 12.1843 k = 0.5000-0.0000 0.0248 ( 7308 PWs) bands (ev): 2.4826 2.4826 2.4827 2.4827 2.8269 2.8269 2.8272 2.8272 5.9071 5.9071 5.9192 5.9192 6.1481 6.1481 6.1621 6.1621 7.1672 7.1672 7.1677 7.1677 7.8521 7.8521 7.8586 7.8586 8.1130 8.1130 8.1273 8.1273 8.4116 8.4116 8.4193 8.4193 8.7920 8.7920 8.7940 8.7940 9.1509 9.1509 9.1587 9.1587 9.4095 9.4095 9.4162 9.4162 9.5364 9.5364 9.5381 9.5381 9.6605 9.6605 9.6642 9.6642 9.8007 9.8007 9.8014 9.8014 10.1218 10.1218 10.1285 10.1285 10.1812 10.1812 10.1845 10.1845 10.5632 10.5632 10.5708 10.5708 11.4150 11.4150 11.4166 11.4166 12.1898 12.1898 12.2128 12.2128 k = 0.5000-0.0000 0.0124 ( 7312 PWs) bands (ev): 2.4810 2.4810 2.4810 2.4810 2.8280 2.8280 2.8282 2.8282 5.9667 5.9667 5.9792 5.9792 6.0878 6.0878 6.1013 6.1013 7.1647 7.1647 7.1650 7.1650 7.8615 7.8615 7.8650 7.8650 8.1085 8.1085 8.1160 8.1160 8.4123 8.4123 8.4161 8.4161 8.7943 8.7943 8.7953 8.7953 9.1537 9.1537 9.1577 9.1577 9.4115 9.4115 9.4150 9.4150 9.5334 9.5334 9.5343 9.5343 9.6640 9.6640 9.6660 9.6660 9.7978 9.7978 9.7980 9.7980 10.1278 10.1278 10.1314 10.1314 10.1814 10.1814 10.1833 10.1833 10.5635 10.5635 10.5673 10.5673 11.4230 11.4230 11.4238 11.4238 12.2171 12.2171 12.2338 12.2338 k = 0.5000-0.0000-0.0000 ( 7320 PWs) bands (ev): 2.4804 2.4804 2.4804 2.4804 2.8284 2.8284 2.8284 2.8284 6.0253 6.0253 6.0253 6.0253 6.0420 6.0420 6.0420 6.0420 7.1640 7.1640 7.1640 7.1640 7.8661 7.8661 7.8661 7.8661 8.1094 8.1094 8.1094 8.1094 8.4138 8.4138 8.4138 8.4138 8.7954 8.7954 8.7954 8.7954 9.1560 9.1560 9.1560 9.1560 9.4133 9.4133 9.4133 9.4133 9.5327 9.5327 9.5327 9.5327 9.6659 9.6659 9.6659 9.6659 9.7969 9.7969 9.7969 9.7969 10.1312 10.1312 10.1312 10.1312 10.1821 10.1821 10.1821 10.1821 10.5649 10.5649 10.5649 10.5649 11.4260 11.4260 11.4260 11.4260 12.2358 12.2358 12.2358 12.2358 k = 0.5000 0.3072-0.0000 ( 7264 PWs) bands (ev): 2.6763 2.6763 2.6763 2.6763 2.6841 2.6841 2.6841 2.6841 5.9887 5.9887 5.9887 5.9887 6.0098 6.0098 6.0098 6.0098 7.6772 7.6772 7.6772 7.6772 7.6837 7.6837 7.6837 7.6837 8.0422 8.0422 8.0422 8.0422 8.0429 8.0429 8.0429 8.0429 9.1049 9.1049 9.1049 9.1049 9.1186 9.1186 9.1186 9.1186 9.3911 9.3911 9.3911 9.3911 9.4021 9.4021 9.4021 9.4021 9.5315 9.5315 9.5315 9.5315 9.5871 9.5871 9.5871 9.5871 10.0740 10.0740 10.0740 10.0740 10.1084 10.1084 10.1084 10.1084 10.9900 10.9900 10.9900 10.9900 11.0023 11.0023 11.0023 11.0023 12.0826 12.0826 12.0826 12.0828 k = 0.5000 0.3072 0.0124 ( 7252 PWs) bands (ev): 2.6763 2.6763 2.6766 2.6766 2.6840 2.6840 2.6845 2.6845 5.9869 5.9869 5.9879 5.9879 6.0080 6.0080 6.0090 6.0090 7.6780 7.6780 7.6788 7.6788 7.6847 7.6847 7.6852 7.6852 8.0424 8.0424 8.0429 8.0429 8.0430 8.0430 8.0436 8.0436 9.1046 9.1046 9.1047 9.1047 9.1179 9.1179 9.1186 9.1186 9.3907 9.3907 9.3911 9.3911 9.4018 9.4018 9.4021 9.4021 9.5317 9.5317 9.5333 9.5333 9.5873 9.5873 9.5889 9.5889 10.0737 10.0737 10.0740 10.0740 10.1076 10.1076 10.1091 10.1091 10.9903 10.9903 10.9908 10.9908 11.0026 11.0026 11.0029 11.0029 12.0818 12.0820 12.0821 12.0821 k = 0.5000 0.3072 0.0248 ( 7264 PWs) bands (ev): 2.6765 2.6765 2.6773 2.6773 2.6841 2.6841 2.6851 2.6851 5.9825 5.9825 5.9846 5.9846 6.0034 6.0034 6.0054 6.0054 7.6811 7.6811 7.6828 7.6828 7.6881 7.6881 7.6892 7.6892 8.0435 8.0435 8.0438 8.0438 8.0445 8.0445 8.0451 8.0451 9.1039 9.1039 9.1039 9.1039 9.1165 9.1165 9.1178 9.1178 9.3900 9.3900 9.3907 9.3907 9.4012 9.4012 9.4019 9.4019 9.5337 9.5337 9.5368 9.5368 9.5894 9.5894 9.5924 9.5924 10.0731 10.0731 10.0738 10.0738 10.1066 10.1066 10.1095 10.1095 10.9916 10.9916 10.9926 10.9926 11.0039 11.0039 11.0044 11.0044 12.0797 12.0798 12.0802 12.0802 k = 0.5000 0.3072 0.0373 ( 7264 PWs) bands (ev): 2.6770 2.6770 2.6782 2.6782 2.6845 2.6845 2.6860 2.6860 5.9757 5.9757 5.9788 5.9788 5.9963 5.9963 5.9992 5.9992 7.6866 7.6866 7.6890 7.6890 7.6938 7.6938 7.6955 7.6955 8.0455 8.0455 8.0455 8.0455 8.0469 8.0469 8.0473 8.0473 9.1027 9.1027 9.1027 9.1027 9.1145 9.1145 9.1162 9.1162 9.3889 9.3889 9.3900 9.3900 9.4001 9.4001 9.4015 9.4015 9.5376 9.5376 9.5419 9.5419 9.5932 9.5932 9.5977 9.5977 10.0721 10.0721 10.0732 10.0732 10.1055 10.1055 10.1098 10.1098 10.9939 10.9939 10.9954 10.9954 11.0061 11.0061 11.0069 11.0069 12.0764 12.0764 12.0770 12.0772 k = 0.5000 0.3072 0.0497 ( 7272 PWs) bands (ev): 2.6778 2.6778 2.6793 2.6793 2.6851 2.6851 2.6870 2.6870 5.9666 5.9666 5.9707 5.9707 5.9868 5.9868 5.9907 5.9907 7.6940 7.6940 7.6971 7.6971 7.7015 7.7015 7.7037 7.7037 8.0479 8.0479 8.0485 8.0485 8.0503 8.0503 8.0503 8.0503 9.1010 9.1010 9.1012 9.1012 9.1120 9.1120 9.1141 9.1141 9.3876 9.3876 9.3892 9.3892 9.3986 9.3986 9.4012 9.4012 9.5433 9.5433 9.5486 9.5486 9.5988 9.5988 9.6044 9.6044 10.0709 10.0709 10.0723 10.0723 10.1041 10.1041 10.1099 10.1099 10.9972 10.9972 10.9992 10.9992 11.0091 11.0091 11.0102 11.0102 12.0717 12.0718 12.0726 12.0726 k = 0.5000 0.3072 0.0621 ( 7276 PWs) bands (ev): 2.6789 2.6789 2.6807 2.6807 2.6859 2.6859 2.6884 2.6884 5.9556 5.9556 5.9607 5.9607 5.9752 5.9752 5.9801 5.9801 7.7031 7.7031 7.7067 7.7067 7.7109 7.7109 7.7136 7.7136 8.0513 8.0513 8.0524 8.0524 8.0542 8.0542 8.0545 8.0545 9.0991 9.0991 9.0996 9.0996 9.1093 9.1093 9.1114 9.1114 9.3861 9.3861 9.3882 9.3882 9.3967 9.3967 9.4008 9.4008 9.5506 9.5506 9.5565 9.5565 9.6058 9.6058 9.6124 9.6124 10.0692 10.0692 10.0712 10.0712 10.1025 10.1025 10.1097 10.1097 11.0015 11.0015 11.0040 11.0040 11.0131 11.0131 11.0143 11.0143 12.0659 12.0660 12.0670 12.0671 k = 0.5000 0.3072 0.0745 ( 7280 PWs) bands (ev): 2.6802 2.6802 2.6824 2.6824 2.6870 2.6870 2.6898 2.6898 5.9429 5.9429 5.9489 5.9489 5.9619 5.9619 5.9676 5.9676 7.7135 7.7135 7.7176 7.7176 7.7216 7.7216 7.7248 7.7248 8.0555 8.0555 8.0574 8.0574 8.0589 8.0589 8.0597 8.0597 9.0969 9.0969 9.0980 9.0980 9.1066 9.1066 9.1083 9.1083 9.3845 9.3845 9.3871 9.3871 9.3945 9.3945 9.4005 9.4005 9.5593 9.5593 9.5656 9.5656 9.6141 9.6141 9.6215 9.6215 10.0672 10.0672 10.0697 10.0697 10.1005 10.1005 10.1091 10.1091 11.0067 11.0067 11.0096 11.0096 11.0179 11.0179 11.0192 11.0192 12.0589 12.0590 12.0603 12.0604 k = 0.5000 0.3072 0.0870 ( 7280 PWs) bands (ev): 2.6816 2.6816 2.6842 2.6842 2.6882 2.6882 2.6915 2.6915 5.9288 5.9288 5.9357 5.9357 5.9470 5.9470 5.9536 5.9536 7.7248 7.7248 7.7291 7.7291 7.7330 7.7330 7.7368 7.7368 8.0607 8.0607 8.0633 8.0633 8.0644 8.0644 8.0658 8.0658 9.0947 9.0947 9.0965 9.0965 9.1039 9.1039 9.1052 9.1052 9.3827 9.3827 9.3861 9.3861 9.3919 9.3919 9.4001 9.4001 9.5694 9.5694 9.5758 9.5758 9.6235 9.6235 9.6315 9.6315 10.0649 10.0649 10.0679 10.0679 10.0983 10.0983 10.1082 10.1082 11.0128 11.0128 11.0160 11.0160 11.0235 11.0235 11.0248 11.0248 12.0510 12.0510 12.0525 12.0526 k = 0.5000 0.3072 0.0994 ( 7284 PWs) bands (ev): 2.6833 2.6833 2.6862 2.6862 2.6895 2.6895 2.6933 2.6933 5.9137 5.9137 5.9215 5.9215 5.9311 5.9311 5.9384 5.9384 7.7365 7.7365 7.7409 7.7409 7.7448 7.7448 7.7491 7.7491 8.0669 8.0669 8.0702 8.0702 8.0709 8.0709 8.0728 8.0728 9.0926 9.0926 9.0952 9.0952 9.1016 9.1016 9.1020 9.1020 9.3808 9.3808 9.3852 9.3852 9.3890 9.3890 9.3997 9.3997 9.5805 9.5805 9.5868 9.5868 9.6338 9.6338 9.6421 9.6421 10.0620 10.0620 10.0657 10.0657 10.0955 10.0955 10.1067 10.1067 11.0195 11.0195 11.0230 11.0230 11.0297 11.0297 11.0310 11.0310 12.0421 12.0423 12.0438 12.0442 k = 0.5000 0.3072 0.1118 ( 7292 PWs) bands (ev): 2.6851 2.6851 2.6884 2.6884 2.6910 2.6910 2.6951 2.6951 5.8979 5.8979 5.9065 5.9065 5.9144 5.9144 5.9225 5.9225 7.7484 7.7484 7.7527 7.7527 7.7565 7.7565 7.7613 7.7613 8.0739 8.0739 8.0781 8.0781 8.0782 8.0782 8.0806 8.0806 9.0906 9.0906 9.0943 9.0943 9.0989 9.0989 9.0996 9.0996 9.3788 9.3788 9.3843 9.3843 9.3858 9.3858 9.3993 9.3993 9.5925 9.5925 9.5986 9.5986 9.6447 9.6447 9.6533 9.6533 10.0588 10.0588 10.0631 10.0631 10.0923 10.0923 10.1046 10.1046 11.0269 11.0269 11.0306 11.0306 11.0365 11.0365 11.0377 11.0377 12.0324 12.0324 12.0344 12.0344 k = 0.5000 0.3072 0.1242 ( 7288 PWs) bands (ev): 2.6870 2.6870 2.6906 2.6906 2.6926 2.6926 2.6971 2.6971 5.8818 5.8818 5.8912 5.8912 5.8973 5.8973 5.9062 5.9062 7.7600 7.7600 7.7640 7.7640 7.7678 7.7678 7.7731 7.7731 8.0819 8.0819 8.0862 8.0862 8.0867 8.0867 8.0891 8.0891 9.0890 9.0890 9.0939 9.0939 9.0961 9.0961 9.0982 9.0982 9.3766 9.3766 9.3824 9.3824 9.3835 9.3835 9.3987 9.3987 9.6054 9.6054 9.6111 9.6111 9.6562 9.6562 9.6649 9.6649 10.0551 10.0551 10.0602 10.0602 10.0886 10.0886 10.1020 10.1020 11.0349 11.0349 11.0387 11.0387 11.0438 11.0438 11.0449 11.0449 12.0221 12.0221 12.0243 12.0243 k = 0.5000 0.3072 0.1367 ( 7288 PWs) bands (ev): 2.6889 2.6889 2.6929 2.6929 2.6941 2.6941 2.6990 2.6990 5.8658 5.8658 5.8759 5.8759 5.8802 5.8802 5.8897 5.8897 7.7711 7.7711 7.7745 7.7745 7.7784 7.7784 7.7841 7.7841 8.0906 8.0906 8.0949 8.0949 8.0960 8.0960 8.0982 8.0982 9.0878 9.0878 9.0938 9.0938 9.0940 9.0940 9.0974 9.0974 9.3744 9.3744 9.3789 9.3789 9.3828 9.3828 9.3979 9.3979 9.6190 9.6190 9.6242 9.6242 9.6681 9.6681 9.6767 9.6767 10.0510 10.0510 10.0568 10.0568 10.0842 10.0842 10.0985 10.0985 11.0432 11.0432 11.0471 11.0471 11.0514 11.0514 11.0523 11.0523 12.0114 12.0114 12.0138 12.0138 k = 0.5000 0.3072 0.1491 ( 7296 PWs) bands (ev): 2.6909 2.6909 2.6952 2.6952 2.6957 2.6957 2.7009 2.7009 5.8501 5.8501 5.8608 5.8608 5.8634 5.8634 5.8736 5.8736 7.7814 7.7814 7.7842 7.7842 7.7880 7.7880 7.7941 7.7941 8.0998 8.0998 8.1041 8.1041 8.1057 8.1057 8.1076 8.1076 9.0869 9.0869 9.0918 9.0918 9.0945 9.0945 9.0973 9.0973 9.3719 9.3719 9.3752 9.3752 9.3822 9.3822 9.3969 9.3969 9.6330 9.6330 9.6378 9.6378 9.6802 9.6802 9.6887 9.6887 10.0464 10.0464 10.0530 10.0530 10.0792 10.0792 10.0944 10.0944 11.0517 11.0517 11.0556 11.0556 11.0592 11.0592 11.0599 11.0599 12.0004 12.0005 12.0031 12.0033 k = 0.5000 0.3072 0.1615 ( 7296 PWs) bands (ev): 2.6929 2.6929 2.6973 2.6973 2.6975 2.6975 2.7028 2.7028 5.8350 5.8350 5.8464 5.8464 5.8472 5.8472 5.8579 5.8579 7.7908 7.7908 7.7928 7.7928 7.7965 7.7965 7.8030 7.8030 8.1094 8.1094 8.1135 8.1135 8.1155 8.1155 8.1172 8.1172 9.0864 9.0864 9.0904 9.0904 9.0956 9.0956 9.0977 9.0977 9.3693 9.3693 9.3715 9.3715 9.3817 9.3817 9.3958 9.3958 9.6475 9.6475 9.6517 9.6517 9.6923 9.6923 9.7006 9.7006 10.0415 10.0415 10.0488 10.0488 10.0735 10.0735 10.0894 10.0894 11.0603 11.0603 11.0641 11.0641 11.0671 11.0671 11.0676 11.0676 11.9895 11.9895 11.9923 11.9923 k = 0.5000 0.3072 0.1739 ( 7296 PWs) bands (ev): 2.6949 2.6949 2.6988 2.6988 2.6998 2.6998 2.7045 2.7045 5.8209 5.8209 5.8318 5.8318 5.8328 5.8328 5.8431 5.8431 7.7993 7.7993 7.8003 7.8003 7.8039 7.8039 7.8107 7.8107 8.1190 8.1190 8.1230 8.1230 8.1252 8.1252 8.1266 8.1266 9.0863 9.0863 9.0894 9.0894 9.0971 9.0971 9.0987 9.0987 9.3666 9.3666 9.3678 9.3678 9.3812 9.3812 9.3945 9.3945 9.6622 9.6622 9.6658 9.6658 9.7042 9.7042 9.7123 9.7123 10.0363 10.0363 10.0444 10.0444 10.0672 10.0672 10.0837 10.0837 11.0687 11.0687 11.0724 11.0724 11.0748 11.0748 11.0750 11.0750 11.9788 11.9788 11.9818 11.9818 k = 0.5000 0.3072 0.1863 ( 7288 PWs) bands (ev): 2.6967 2.6967 2.7002 2.7002 2.7019 2.7019 2.7061 2.7061 5.8079 5.8079 5.8176 5.8176 5.8203 5.8203 5.8294 5.8294 7.8067 7.8067 7.8068 7.8068 7.8101 7.8101 7.8172 7.8172 8.1284 8.1284 8.1321 8.1321 8.1345 8.1345 8.1356 8.1356 9.0866 9.0866 9.0888 9.0888 9.0990 9.0990 9.1002 9.1002 9.3639 9.3639 9.3642 9.3642 9.3809 9.3809 9.3930 9.3930 9.6769 9.6769 9.6800 9.6800 9.7157 9.7157 9.7234 9.7234 10.0311 10.0311 10.0400 10.0400 10.0604 10.0604 10.0773 10.0773 11.0768 11.0768 11.0804 11.0804 11.0822 11.0822 11.0822 11.0822 11.9687 11.9687 11.9718 11.9718 k = 0.5000 0.3072 0.1988 ( 7292 PWs) bands (ev): 2.6984 2.6984 2.7014 2.7014 2.7039 2.7039 2.7075 2.7075 5.7963 5.7963 5.8047 5.8047 5.8091 5.8091 5.8169 5.8169 7.8123 7.8123 7.8132 7.8132 7.8153 7.8153 7.8225 7.8225 8.1373 8.1373 8.1407 8.1407 8.1430 8.1430 8.1439 8.1439 9.0871 9.0871 9.0887 9.0887 9.1011 9.1011 9.1020 9.1020 9.3608 9.3608 9.3611 9.3611 9.3806 9.3806 9.3914 9.3914 9.6914 9.6914 9.6938 9.6938 9.7265 9.7265 9.7337 9.7337 10.0259 10.0259 10.0356 10.0356 10.0531 10.0531 10.0703 10.0703 11.0844 11.0844 11.0877 11.0877 11.0889 11.0889 11.0891 11.0891 11.9593 11.9593 11.9625 11.9625 k = 0.5000 0.3072 0.2112 ( 7300 PWs) bands (ev): 2.7000 2.7000 2.7025 2.7025 2.7056 2.7056 2.7088 2.7088 5.7863 5.7863 5.7934 5.7934 5.7994 5.7994 5.8060 5.8060 7.8168 7.8168 7.8186 7.8186 7.8194 7.8194 7.8266 7.8266 8.1454 8.1454 8.1484 8.1484 8.1505 8.1505 8.1514 8.1514 9.0877 9.0877 9.0888 9.0888 9.1033 9.1033 9.1039 9.1039 9.3577 9.3577 9.3584 9.3584 9.3805 9.3805 9.3898 9.3898 9.7055 9.7055 9.7072 9.7072 9.7361 9.7361 9.7428 9.7428 10.0211 10.0211 10.0317 10.0317 10.0455 10.0455 10.0629 10.0629 11.0913 11.0913 11.0943 11.0943 11.0949 11.0949 11.0953 11.0953 11.9510 11.9510 11.9543 11.9543 k = 0.5000 0.3072 0.2236 ( 7304 PWs) bands (ev): 2.7013 2.7013 2.7034 2.7034 2.7072 2.7072 2.7097 2.7097 5.7780 5.7780 5.7837 5.7837 5.7914 5.7914 5.7966 5.7966 7.8204 7.8204 7.8226 7.8226 7.8232 7.8232 7.8298 7.8298 8.1525 8.1525 8.1552 8.1552 8.1568 8.1568 8.1576 8.1576 9.0884 9.0884 9.0891 9.0891 9.1053 9.1053 9.1058 9.1058 9.3550 9.3550 9.3559 9.3559 9.3805 9.3805 9.3881 9.3881 9.7187 9.7187 9.7197 9.7197 9.7442 9.7442 9.7502 9.7502 10.0170 10.0170 10.0285 10.0285 10.0380 10.0380 10.0553 10.0553 11.0972 11.0972 11.1000 11.1000 11.1000 11.1000 11.1007 11.1007 11.9440 11.9440 11.9473 11.9473 k = 0.5000 0.3072 0.2360 ( 7292 PWs) bands (ev): 2.7025 2.7025 2.7040 2.7040 2.7085 2.7085 2.7104 2.7104 5.7716 5.7716 5.7759 5.7759 5.7851 5.7851 5.7891 5.7891 7.8233 7.8233 7.8249 7.8249 7.8269 7.8269 7.8319 7.8319 8.1583 8.1583 8.1607 8.1607 8.1617 8.1617 8.1626 8.1626 9.0891 9.0891 9.0894 9.0894 9.1072 9.1072 9.1076 9.1076 9.3528 9.3528 9.3538 9.3538 9.3807 9.3807 9.3865 9.3865 9.7307 9.7307 9.7310 9.7310 9.7503 9.7503 9.7555 9.7555 10.0141 10.0141 10.0266 10.0266 10.0308 10.0308 10.0479 10.0479 11.1021 11.1021 11.1041 11.1041 11.1046 11.1046 11.1051 11.1051 11.9385 11.9385 11.9418 11.9418 k = 0.5000 0.3072 0.2485 ( 7292 PWs) bands (ev): 2.7034 2.7034 2.7044 2.7044 2.7096 2.7096 2.7109 2.7109 5.7672 5.7672 5.7700 5.7700 5.7808 5.7808 5.7835 5.7835 7.8253 7.8253 7.8264 7.8264 7.8298 7.8298 7.8331 7.8331 8.1628 8.1628 8.1649 8.1649 8.1652 8.1652 8.1662 8.1662 9.0896 9.0896 9.0898 9.0898 9.1087 9.1087 9.1089 9.1089 9.3513 9.3513 9.3521 9.3521 9.3811 9.3811 9.3851 9.3851 9.7405 9.7405 9.7411 9.7411 9.7539 9.7539 9.7582 9.7582 10.0126 10.0126 10.0243 10.0243 10.0261 10.0261 10.0410 10.0410 11.1058 11.1058 11.1071 11.1071 11.1080 11.1080 11.1083 11.1083 11.9347 11.9347 11.9379 11.9380 k = 0.5000 0.3072 0.2609 ( 7300 PWs) bands (ev): 2.7041 2.7041 2.7046 2.7046 2.7104 2.7104 2.7110 2.7110 5.7648 5.7648 5.7662 5.7662 5.7785 5.7785 5.7798 5.7798 7.8266 7.8266 7.8272 7.8272 7.8318 7.8318 7.8335 7.8335 8.1658 8.1658 8.1670 8.1670 8.1675 8.1675 8.1682 8.1682 9.0900 9.0900 9.0900 9.0900 9.1096 9.1096 9.1097 9.1097 9.3505 9.3505 9.3509 9.3509 9.3818 9.3818 9.3838 9.3838 9.7479 9.7479 9.7493 9.7493 9.7548 9.7548 9.7581 9.7581 10.0129 10.0129 10.0190 10.0190 10.0273 10.0273 10.0350 10.0350 11.1082 11.1082 11.1088 11.1088 11.1101 11.1101 11.1102 11.1102 11.9328 11.9328 11.9347 11.9347 k = 0.5000 0.3072 0.2733 ( 7296 PWs) bands (ev): 2.7044 2.7044 2.7044 2.7044 2.7108 2.7108 2.7108 2.7108 5.7645 5.7645 5.7645 5.7645 5.7781 5.7781 5.7781 5.7781 7.8273 7.8273 7.8273 7.8273 7.8331 7.8331 7.8331 7.8331 8.1672 8.1672 8.1672 8.1672 8.1686 8.1686 8.1686 8.1686 9.0901 9.0901 9.0901 9.0901 9.1100 9.1100 9.1100 9.1100 9.3503 9.3503 9.3503 9.3503 9.3827 9.3827 9.3827 9.3827 9.7527 9.7527 9.7527 9.7527 9.7551 9.7551 9.7551 9.7551 10.0151 10.0151 10.0151 10.0151 10.0303 10.0303 10.0303 10.0303 11.1092 11.1092 11.1092 11.1092 11.1108 11.1108 11.1108 11.1108 11.9328 11.9328 11.9328 11.9328 Writing output data file ZrFeSi.save init_run : 0.28s CPU 0.55s WALL ( 1 calls) electrons : 809.01s CPU 817.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 809.00s CPU 817.43s 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 : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.24s WALL ( 360 calls) cegterg : 746.67s CPU 753.88s WALL ( 1131 calls) Called by sum_band: Called by *egterg: h_psi : 385.53s CPU 390.39s WALL ( 20348 calls) s_psi : 62.17s CPU 61.90s WALL ( 20348 calls) g_psi : 1.24s CPU 1.29s WALL ( 18857 calls) cdiaghg : 243.11s CPU 246.50s WALL ( 19217 calls) cegterg:over : 38.42s CPU 38.55s WALL ( 18857 calls) cegterg:upda : 36.36s CPU 35.89s WALL ( 18857 calls) cegterg:last : 17.26s CPU 17.41s WALL ( 2604 calls) cdiaghg:chol : 14.48s CPU 14.42s WALL ( 19217 calls) cdiaghg:inve : 10.08s CPU 10.37s WALL ( 19217 calls) cdiaghg:para : 17.60s CPU 17.71s WALL ( 38434 calls) Called by h_psi: h_psi:vloc : 276.39s CPU 280.17s WALL ( 20348 calls) h_psi:vnl : 107.68s CPU 108.69s WALL ( 20348 calls) add_vuspsi : 57.80s CPU 58.01s WALL ( 20348 calls) General routines calbec : 49.78s CPU 50.62s WALL ( 20348 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 261.25s CPU 264.75s WALL ( 2478876 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.34s CPU 0.52s WALL ( 720 calls) Parallel routines fft_scatter : 93.85s CPU 94.88s WALL ( 2478899 calls) PWSCF : 14m 2.94s CPU 14m29.17s WALL This run was terminated on: 18:38:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=