Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:16:23 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: ./Zr3Al2.save/ 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 92 92 25 3644 3644 536 Max 93 93 27 3650 3650 538 Sum 3313 3313 933 131291 131291 19307 bravais-lattice index = 14 lattice parameter (alat) = 14.4186 a.u. unit-cell volume = 2749.2835 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.418609 celldm(2)= 1.000000 celldm(3)= 0.917169 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.917169 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.090312 ) 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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) Al 3.00 26.98150 Al( 1.00) 16 Sym. Ops., with inversion, found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [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 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4585845 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4585845 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4585845 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4585845 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4585845 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4585845 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4585845 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4585845 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 222 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0045045 k( 3) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0045045 k( 4) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045045 k( 5) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0045045 k( 6) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0045045 k( 7) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045045 k( 8) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0045045 k( 9) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0045045 k( 10) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045045 k( 11) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0045045 k( 12) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0045045 k( 13) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045045 k( 14) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0045045 k( 15) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0045045 k( 16) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045045 k( 17) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0045045 k( 18) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0045045 k( 19) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045045 k( 20) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0045045 k( 21) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0045045 k( 22) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 24) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0045045 k( 25) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0045045 k( 26) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045045 k( 27) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0045045 k( 28) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0045045 k( 29) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045045 k( 30) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0045045 k( 31) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0045045 k( 32) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045045 k( 33) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0045045 k( 34) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0045045 k( 35) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045045 k( 36) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0045045 k( 37) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0045045 k( 38) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045045 k( 39) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0045045 k( 40) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0045045 k( 41) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045045 k( 42) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0045045 k( 43) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0045045 k( 44) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 45) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 46) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0045045 k( 47) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0045045 k( 48) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045045 k( 49) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0045045 k( 50) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0045045 k( 51) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045045 k( 52) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0045045 k( 53) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0045045 k( 54) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045045 k( 55) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0045045 k( 56) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0045045 k( 57) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045045 k( 58) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0045045 k( 59) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0045045 k( 60) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045045 k( 61) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0045045 k( 62) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0045045 k( 63) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045045 k( 64) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0045045 k( 65) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0045045 k( 66) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045045 k( 67) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0045045 k( 68) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0045045 k( 69) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045045 k( 70) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0045045 k( 71) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0045045 k( 72) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045045 k( 73) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0045045 k( 74) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0045045 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 76) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 77) = ( 0.0000000 0.0000000 0.0237024), wk = 0.0045045 k( 78) = ( 0.0000000 0.0000000 0.0474048), wk = 0.0045045 k( 79) = ( 0.0000000 0.0000000 0.0711073), wk = 0.0045045 k( 80) = ( 0.0000000 0.0000000 0.0948097), wk = 0.0045045 k( 81) = ( 0.0000000 0.0000000 0.1185121), wk = 0.0045045 k( 82) = ( 0.0000000 0.0000000 0.1422145), wk = 0.0045045 k( 83) = ( 0.0000000 0.0000000 0.1659170), wk = 0.0045045 k( 84) = ( 0.0000000 0.0000000 0.1896194), wk = 0.0045045 k( 85) = ( 0.0000000 0.0000000 0.2133218), wk = 0.0045045 k( 86) = ( 0.0000000 0.0000000 0.2370242), wk = 0.0045045 k( 87) = ( 0.0000000 0.0000000 0.2607267), wk = 0.0045045 k( 88) = ( 0.0000000 0.0000000 0.2844291), wk = 0.0045045 k( 89) = ( 0.0000000 0.0000000 0.3081315), wk = 0.0045045 k( 90) = ( 0.0000000 0.0000000 0.3318339), wk = 0.0045045 k( 91) = ( 0.0000000 0.0000000 0.3555364), wk = 0.0045045 k( 92) = ( 0.0000000 0.0000000 0.3792388), wk = 0.0045045 k( 93) = ( 0.0000000 0.0000000 0.4029412), wk = 0.0045045 k( 94) = ( 0.0000000 0.0000000 0.4266436), wk = 0.0045045 k( 95) = ( 0.0000000 0.0000000 0.4503461), wk = 0.0045045 k( 96) = ( 0.0000000 0.0000000 0.4740485), wk = 0.0045045 k( 97) = ( 0.0000000 0.0000000 0.4977509), wk = 0.0045045 k( 98) = ( 0.0000000 0.0000000 0.5214533), wk = 0.0045045 k( 99) = ( 0.0000000 0.0000000 0.5451558), wk = 0.0045045 k( 100) = ( 0.0000000 0.0000000 0.5451558), wk = 0.0045045 k( 101) = ( 0.0000000 0.0238095 0.5451558), wk = 0.0045045 k( 102) = ( 0.0000000 0.0476191 0.5451558), wk = 0.0045045 k( 103) = ( 0.0000000 0.0714286 0.5451558), wk = 0.0045045 k( 104) = ( 0.0000000 0.0952381 0.5451558), wk = 0.0045045 k( 105) = ( 0.0000000 0.1190476 0.5451558), wk = 0.0045045 k( 106) = ( 0.0000000 0.1428571 0.5451558), wk = 0.0045045 k( 107) = ( 0.0000000 0.1666667 0.5451558), wk = 0.0045045 k( 108) = ( 0.0000000 0.1904762 0.5451558), wk = 0.0045045 k( 109) = ( 0.0000000 0.2142857 0.5451558), wk = 0.0045045 k( 110) = ( 0.0000000 0.2380952 0.5451558), wk = 0.0045045 k( 111) = ( 0.0000000 0.2619048 0.5451558), wk = 0.0045045 k( 112) = ( 0.0000000 0.2857143 0.5451558), wk = 0.0045045 k( 113) = ( 0.0000000 0.3095238 0.5451558), wk = 0.0045045 k( 114) = ( 0.0000000 0.3333333 0.5451558), wk = 0.0045045 k( 115) = ( 0.0000000 0.3571429 0.5451558), wk = 0.0045045 k( 116) = ( 0.0000000 0.3809524 0.5451558), wk = 0.0045045 k( 117) = ( 0.0000000 0.4047619 0.5451558), wk = 0.0045045 k( 118) = ( 0.0000000 0.4285714 0.5451558), wk = 0.0045045 k( 119) = ( 0.0000000 0.4523810 0.5451558), wk = 0.0045045 k( 120) = ( 0.0000000 0.4761905 0.5451558), wk = 0.0045045 k( 121) = ( 0.0000000 0.5000000 0.5451558), wk = 0.0045045 k( 122) = ( 0.0000000 0.5000000 0.5451558), wk = 0.0045045 k( 123) = ( 0.0238095 0.5000000 0.5451558), wk = 0.0045045 k( 124) = ( 0.0476191 0.5000000 0.5451558), wk = 0.0045045 k( 125) = ( 0.0714286 0.5000000 0.5451558), wk = 0.0045045 k( 126) = ( 0.0952381 0.5000000 0.5451558), wk = 0.0045045 k( 127) = ( 0.1190476 0.5000000 0.5451558), wk = 0.0045045 k( 128) = ( 0.1428571 0.5000000 0.5451558), wk = 0.0045045 k( 129) = ( 0.1666667 0.5000000 0.5451558), wk = 0.0045045 k( 130) = ( 0.1904762 0.5000000 0.5451558), wk = 0.0045045 k( 131) = ( 0.2142857 0.5000000 0.5451558), wk = 0.0045045 k( 132) = ( 0.2380952 0.5000000 0.5451558), wk = 0.0045045 k( 133) = ( 0.2619048 0.5000000 0.5451558), wk = 0.0045045 k( 134) = ( 0.2857143 0.5000000 0.5451558), wk = 0.0045045 k( 135) = ( 0.3095238 0.5000000 0.5451558), wk = 0.0045045 k( 136) = ( 0.3333333 0.5000000 0.5451558), wk = 0.0045045 k( 137) = ( 0.3571429 0.5000000 0.5451558), wk = 0.0045045 k( 138) = ( 0.3809524 0.5000000 0.5451558), wk = 0.0045045 k( 139) = ( 0.4047619 0.5000000 0.5451558), wk = 0.0045045 k( 140) = ( 0.4285714 0.5000000 0.5451558), wk = 0.0045045 k( 141) = ( 0.4523810 0.5000000 0.5451558), wk = 0.0045045 k( 142) = ( 0.4761905 0.5000000 0.5451558), wk = 0.0045045 k( 143) = ( 0.5000000 0.5000000 0.5451558), wk = 0.0045045 k( 144) = ( 0.5000000 0.5000000 0.5451558), wk = 0.0045045 k( 145) = ( 0.4833333 0.4833333 0.5451558), wk = 0.0045045 k( 146) = ( 0.4666667 0.4666667 0.5451558), wk = 0.0045045 k( 147) = ( 0.4500000 0.4500000 0.5451558), wk = 0.0045045 k( 148) = ( 0.4333333 0.4333333 0.5451558), wk = 0.0045045 k( 149) = ( 0.4166667 0.4166667 0.5451558), wk = 0.0045045 k( 150) = ( 0.4000000 0.4000000 0.5451558), wk = 0.0045045 k( 151) = ( 0.3833333 0.3833333 0.5451558), wk = 0.0045045 k( 152) = ( 0.3666667 0.3666667 0.5451558), wk = 0.0045045 k( 153) = ( 0.3500000 0.3500000 0.5451558), wk = 0.0045045 k( 154) = ( 0.3333333 0.3333333 0.5451558), wk = 0.0045045 k( 155) = ( 0.3166667 0.3166667 0.5451558), wk = 0.0045045 k( 156) = ( 0.3000000 0.3000000 0.5451558), wk = 0.0045045 k( 157) = ( 0.2833333 0.2833333 0.5451558), wk = 0.0045045 k( 158) = ( 0.2666667 0.2666667 0.5451558), wk = 0.0045045 k( 159) = ( 0.2500000 0.2500000 0.5451558), wk = 0.0045045 k( 160) = ( 0.2333333 0.2333333 0.5451558), wk = 0.0045045 k( 161) = ( 0.2166667 0.2166667 0.5451558), wk = 0.0045045 k( 162) = ( 0.2000000 0.2000000 0.5451558), wk = 0.0045045 k( 163) = ( 0.1833333 0.1833333 0.5451558), wk = 0.0045045 k( 164) = ( 0.1666667 0.1666667 0.5451558), wk = 0.0045045 k( 165) = ( 0.1500000 0.1500000 0.5451558), wk = 0.0045045 k( 166) = ( 0.1333333 0.1333333 0.5451558), wk = 0.0045045 k( 167) = ( 0.1166667 0.1166667 0.5451558), wk = 0.0045045 k( 168) = ( 0.1000000 0.1000000 0.5451558), wk = 0.0045045 k( 169) = ( 0.0833333 0.0833333 0.5451558), wk = 0.0045045 k( 170) = ( 0.0666667 0.0666667 0.5451558), wk = 0.0045045 k( 171) = ( 0.0500000 0.0500000 0.5451558), wk = 0.0045045 k( 172) = ( 0.0333333 0.0333333 0.5451558), wk = 0.0045045 k( 173) = ( 0.0166667 0.0166667 0.5451558), wk = 0.0045045 k( 174) = ( 0.0000000 0.0000000 0.5451558), wk = 0.0045045 k( 175) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 176) = ( 0.0000000 0.5000000 0.0237024), wk = 0.0045045 k( 177) = ( 0.0000000 0.5000000 0.0474048), wk = 0.0045045 k( 178) = ( 0.0000000 0.5000000 0.0711073), wk = 0.0045045 k( 179) = ( 0.0000000 0.5000000 0.0948097), wk = 0.0045045 k( 180) = ( 0.0000000 0.5000000 0.1185121), wk = 0.0045045 k( 181) = ( 0.0000000 0.5000000 0.1422145), wk = 0.0045045 k( 182) = ( 0.0000000 0.5000000 0.1659170), wk = 0.0045045 k( 183) = ( 0.0000000 0.5000000 0.1896194), wk = 0.0045045 k( 184) = ( 0.0000000 0.5000000 0.2133218), wk = 0.0045045 k( 185) = ( 0.0000000 0.5000000 0.2370242), wk = 0.0045045 k( 186) = ( 0.0000000 0.5000000 0.2607267), wk = 0.0045045 k( 187) = ( 0.0000000 0.5000000 0.2844291), wk = 0.0045045 k( 188) = ( 0.0000000 0.5000000 0.3081315), wk = 0.0045045 k( 189) = ( 0.0000000 0.5000000 0.3318339), wk = 0.0045045 k( 190) = ( 0.0000000 0.5000000 0.3555364), wk = 0.0045045 k( 191) = ( 0.0000000 0.5000000 0.3792388), wk = 0.0045045 k( 192) = ( 0.0000000 0.5000000 0.4029412), wk = 0.0045045 k( 193) = ( 0.0000000 0.5000000 0.4266436), wk = 0.0045045 k( 194) = ( 0.0000000 0.5000000 0.4503461), wk = 0.0045045 k( 195) = ( 0.0000000 0.5000000 0.4740485), wk = 0.0045045 k( 196) = ( 0.0000000 0.5000000 0.4977509), wk = 0.0045045 k( 197) = ( 0.0000000 0.5000000 0.5214533), wk = 0.0045045 k( 198) = ( 0.0000000 0.5000000 0.5451558), wk = 0.0045045 k( 199) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 200) = ( 0.5000000 0.5000000 0.0237024), wk = 0.0045045 k( 201) = ( 0.5000000 0.5000000 0.0474048), wk = 0.0045045 k( 202) = ( 0.5000000 0.5000000 0.0711073), wk = 0.0045045 k( 203) = ( 0.5000000 0.5000000 0.0948097), wk = 0.0045045 k( 204) = ( 0.5000000 0.5000000 0.1185121), wk = 0.0045045 k( 205) = ( 0.5000000 0.5000000 0.1422145), wk = 0.0045045 k( 206) = ( 0.5000000 0.5000000 0.1659170), wk = 0.0045045 k( 207) = ( 0.5000000 0.5000000 0.1896194), wk = 0.0045045 k( 208) = ( 0.5000000 0.5000000 0.2133218), wk = 0.0045045 k( 209) = ( 0.5000000 0.5000000 0.2370242), wk = 0.0045045 k( 210) = ( 0.5000000 0.5000000 0.2607267), wk = 0.0045045 k( 211) = ( 0.5000000 0.5000000 0.2844291), wk = 0.0045045 k( 212) = ( 0.5000000 0.5000000 0.3081315), wk = 0.0045045 k( 213) = ( 0.5000000 0.5000000 0.3318339), wk = 0.0045045 k( 214) = ( 0.5000000 0.5000000 0.3555364), wk = 0.0045045 k( 215) = ( 0.5000000 0.5000000 0.3792388), wk = 0.0045045 k( 216) = ( 0.5000000 0.5000000 0.4029412), wk = 0.0045045 k( 217) = ( 0.5000000 0.5000000 0.4266436), wk = 0.0045045 k( 218) = ( 0.5000000 0.5000000 0.4503461), wk = 0.0045045 k( 219) = ( 0.5000000 0.5000000 0.4740485), wk = 0.0045045 k( 220) = ( 0.5000000 0.5000000 0.4977509), wk = 0.0045045 k( 221) = ( 0.5000000 0.5000000 0.5214533), wk = 0.0045045 k( 222) = ( 0.5000000 0.5000000 0.5451558), wk = 0.0045045 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0045045 k( 3) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0045045 k( 4) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045045 k( 5) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0045045 k( 6) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0045045 k( 7) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045045 k( 8) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0045045 k( 9) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0045045 k( 10) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045045 k( 11) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0045045 k( 12) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0045045 k( 13) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045045 k( 14) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0045045 k( 15) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0045045 k( 16) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045045 k( 17) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0045045 k( 18) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0045045 k( 19) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045045 k( 20) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0045045 k( 21) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0045045 k( 22) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 24) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0045045 k( 25) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0045045 k( 26) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045045 k( 27) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0045045 k( 28) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0045045 k( 29) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045045 k( 30) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0045045 k( 31) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0045045 k( 32) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045045 k( 33) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0045045 k( 34) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0045045 k( 35) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045045 k( 36) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0045045 k( 37) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0045045 k( 38) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045045 k( 39) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0045045 k( 40) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0045045 k( 41) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045045 k( 42) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0045045 k( 43) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0045045 k( 44) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 45) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 46) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0045045 k( 47) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0045045 k( 48) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045045 k( 49) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0045045 k( 50) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0045045 k( 51) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045045 k( 52) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0045045 k( 53) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0045045 k( 54) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045045 k( 55) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0045045 k( 56) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0045045 k( 57) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045045 k( 58) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0045045 k( 59) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0045045 k( 60) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045045 k( 61) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0045045 k( 62) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0045045 k( 63) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045045 k( 64) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0045045 k( 65) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0045045 k( 66) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045045 k( 67) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0045045 k( 68) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0045045 k( 69) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045045 k( 70) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0045045 k( 71) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0045045 k( 72) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045045 k( 73) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0045045 k( 74) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0045045 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 76) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 77) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0045045 k( 78) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0045045 k( 79) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0045045 k( 80) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0045045 k( 81) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0045045 k( 82) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0045045 k( 83) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0045045 k( 84) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0045045 k( 85) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0045045 k( 86) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0045045 k( 87) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0045045 k( 88) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0045045 k( 89) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0045045 k( 90) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0045045 k( 91) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0045045 k( 92) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0045045 k( 93) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0045045 k( 94) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0045045 k( 95) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0045045 k( 96) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0045045 k( 97) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0045045 k( 98) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0045045 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045045 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045045 k( 101) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0045045 k( 102) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0045045 k( 103) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0045045 k( 104) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0045045 k( 105) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0045045 k( 106) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0045045 k( 107) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0045045 k( 108) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0045045 k( 109) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0045045 k( 110) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0045045 k( 111) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0045045 k( 112) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0045045 k( 113) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0045045 k( 114) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0045045 k( 115) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0045045 k( 116) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0045045 k( 117) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0045045 k( 118) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0045045 k( 119) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0045045 k( 120) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0045045 k( 121) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0045045 k( 122) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0045045 k( 123) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0045045 k( 124) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0045045 k( 125) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0045045 k( 126) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0045045 k( 127) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0045045 k( 128) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0045045 k( 129) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0045045 k( 130) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0045045 k( 131) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0045045 k( 132) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0045045 k( 133) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0045045 k( 134) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0045045 k( 135) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0045045 k( 136) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0045045 k( 137) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0045045 k( 138) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0045045 k( 139) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0045045 k( 140) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0045045 k( 141) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0045045 k( 142) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0045045 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 145) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0045045 k( 146) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0045045 k( 147) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0045045 k( 148) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0045045 k( 149) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0045045 k( 150) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0045045 k( 151) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0045045 k( 152) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0045045 k( 153) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0045045 k( 154) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045045 k( 155) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0045045 k( 156) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0045045 k( 157) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0045045 k( 158) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0045045 k( 159) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0045045 k( 160) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0045045 k( 161) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0045045 k( 162) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0045045 k( 163) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0045045 k( 164) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0045045 k( 165) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0045045 k( 166) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0045045 k( 167) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0045045 k( 168) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0045045 k( 169) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0045045 k( 170) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0045045 k( 171) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0045045 k( 172) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0045045 k( 173) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0045045 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045045 k( 175) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 176) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0045045 k( 177) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0045045 k( 178) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0045045 k( 179) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0045045 k( 180) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0045045 k( 181) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0045045 k( 182) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0045045 k( 183) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0045045 k( 184) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0045045 k( 185) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0045045 k( 186) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0045045 k( 187) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0045045 k( 188) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0045045 k( 189) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0045045 k( 190) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0045045 k( 191) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0045045 k( 192) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0045045 k( 193) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0045045 k( 194) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0045045 k( 195) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0045045 k( 196) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0045045 k( 197) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0045045 k( 198) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0045045 k( 199) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 200) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0045045 k( 201) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0045045 k( 202) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0045045 k( 203) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0045045 k( 204) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0045045 k( 205) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0045045 k( 206) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0045045 k( 207) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0045045 k( 208) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0045045 k( 209) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0045045 k( 210) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0045045 k( 211) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0045045 k( 212) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0045045 k( 213) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0045045 k( 214) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0045045 k( 215) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0045045 k( 216) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0045045 k( 217) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0045045 k( 218) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0045045 k( 219) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0045045 k( 220) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0045045 k( 221) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0045045 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 Dense grid: 131291 G-vectors FFT dimensions: ( 72, 72, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.21 Mb ( 924, 86) NL pseudopotentials 3.27 Mb ( 462, 464) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3650) G-vector shells 0.01 Mb ( 1706) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.85 Mb ( 924, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 1.22 Mb ( 464, 2, 86) The potential is recalculated from file : ./Zr3Al2.save/charge-density.dat Starting wfc are 280 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.3 secs Computing kpt #: 2 total cpu time spent up to now is 11.3 secs Computing kpt #: 3 total cpu time spent up to now is 16.3 secs Computing kpt #: 4 total cpu time spent up to now is 21.2 secs Computing kpt #: 5 total cpu time spent up to now is 26.5 secs Computing kpt #: 6 total cpu time spent up to now is 32.1 secs Computing kpt #: 7 total cpu time spent up to now is 38.4 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.6 secs Computing kpt #: 9 total cpu time spent up to now is 53.6 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.7 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.8 secs Computing kpt #: 12 total cpu time spent up to now is 77.0 secs Computing kpt #: 13 total cpu time spent up to now is 83.5 secs Computing kpt #: 14 total cpu time spent up to now is 90.7 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.8 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.0 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.1 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.3 secs Computing kpt #: 19 total cpu time spent up to now is 131.2 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.5 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.9 secs Computing kpt #: 22 total cpu time spent up to now is 154.1 secs Computing kpt #: 23 total cpu time spent up to now is 160.3 secs Computing kpt #: 24 total cpu time spent up to now is 166.5 secs Computing kpt #: 25 total cpu time spent up to now is 172.4 secs Computing kpt #: 26 total cpu time spent up to now is 178.1 secs Computing kpt #: 27 total cpu time spent up to now is 183.7 secs Computing kpt #: 28 total cpu time spent up to now is 189.4 secs Computing kpt #: 29 total cpu time spent up to now is 195.1 secs Computing kpt #: 30 total cpu time spent up to now is 200.7 secs Computing kpt #: 31 total cpu time spent up to now is 206.4 secs Computing kpt #: 32 total cpu time spent up to now is 212.0 secs Computing kpt #: 33 total cpu time spent up to now is 217.9 secs Computing kpt #: 34 total cpu time spent up to now is 223.9 secs Computing kpt #: 35 total cpu time spent up to now is 230.3 secs Computing kpt #: 36 total cpu time spent up to now is 236.8 secs Computing kpt #: 37 total cpu time spent up to now is 243.2 secs Computing kpt #: 38 total cpu time spent up to now is 249.1 secs Computing kpt #: 39 total cpu time spent up to now is 255.1 secs Computing kpt #: 40 total cpu time spent up to now is 261.3 secs Computing kpt #: 41 total cpu time spent up to now is 267.0 secs Computing kpt #: 42 total cpu time spent up to now is 272.7 secs Computing kpt #: 43 total cpu time spent up to now is 278.3 secs Computing kpt #: 44 total cpu time spent up to now is 283.8 secs Computing kpt #: 45 total cpu time spent up to now is 289.4 secs Computing kpt #: 46 total cpu time spent up to now is 295.0 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.0 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.0 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.0 secs Computing kpt #: 50 total cpu time spent up to now is 326.1 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.3 secs Computing kpt #: 52 total cpu time spent up to now is 341.6 secs Computing kpt #: 53 total cpu time spent up to now is 348.3 secs Computing kpt #: 54 total cpu time spent up to now is 355.4 secs Computing kpt #: 55 total cpu time spent up to now is 362.7 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.9 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.0 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.2 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.4 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.8 secs Computing kpt #: 61 total cpu time spent up to now is 410.3 secs Computing kpt #: 62 total cpu time spent up to now is 416.2 secs Computing kpt #: 63 total cpu time spent up to now is 421.9 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.0 secs Computing kpt #: 65 total cpu time spent up to now is 436.5 secs Computing kpt #: 66 total cpu time spent up to now is 442.3 secs Computing kpt #: 67 total cpu time spent up to now is 449.4 secs Computing kpt #: 68 total cpu time spent up to now is 457.2 secs Computing kpt #: 69 total cpu time spent up to now is 463.6 secs Computing kpt #: 70 total cpu time spent up to now is 469.2 secs Computing kpt #: 71 total cpu time spent up to now is 474.3 secs Computing kpt #: 72 total cpu time spent up to now is 479.3 secs Computing kpt #: 73 total cpu time spent up to now is 484.2 secs Computing kpt #: 74 total cpu time spent up to now is 489.1 secs Computing kpt #: 75 total cpu time spent up to now is 493.9 secs Computing kpt #: 76 total cpu time spent up to now is 498.7 secs Computing kpt #: 77 total cpu time spent up to now is 503.6 secs Computing kpt #: 78 total cpu time spent up to now is 508.6 secs Computing kpt #: 79 total cpu time spent up to now is 513.7 secs Computing kpt #: 80 total cpu time spent up to now is 518.7 secs Computing kpt #: 81 total cpu time spent up to now is 524.3 secs Computing kpt #: 82 total cpu time spent up to now is 531.3 secs Computing kpt #: 83 total cpu time spent up to now is 536.9 secs Computing kpt #: 84 total cpu time spent up to now is 542.0 secs Computing kpt #: 85 total cpu time spent up to now is 547.6 secs Computing kpt #: 86 total cpu time spent up to now is 552.7 secs Computing kpt #: 87 total cpu time spent up to now is 558.7 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.0 secs Computing kpt #: 89 total cpu time spent up to now is 572.9 secs Computing kpt #: 90 total cpu time spent up to now is 578.7 secs Computing kpt #: 91 total cpu time spent up to now is 584.2 secs Computing kpt #: 92 total cpu time spent up to now is 589.8 secs Computing kpt #: 93 total cpu time spent up to now is 595.5 secs Computing kpt #: 94 total cpu time spent up to now is 601.2 secs Computing kpt #: 95 total cpu time spent up to now is 606.9 secs Computing kpt #: 96 total cpu time spent up to now is 614.1 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 622.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.4 secs Computing kpt #: 99 total cpu time spent up to now is 636.3 secs Computing kpt #: 100 total cpu time spent up to now is 642.2 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 650.4 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 658.6 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 666.7 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 674.8 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 682.9 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 690.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 699.1 secs Computing kpt #: 108 total cpu time spent up to now is 706.0 secs Computing kpt #: 109 total cpu time spent up to now is 712.7 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 720.8 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 729.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 737.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 745.4 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 753.5 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 761.7 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 769.8 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 778.0 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 786.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 794.3 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 802.4 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 810.5 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 818.6 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 826.7 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 834.7 secs Computing kpt #: 125 total cpu time spent up to now is 842.6 secs Computing kpt #: 126 total cpu time spent up to now is 849.5 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 857.9 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 866.2 secs Computing kpt #: 129 total cpu time spent up to now is 873.2 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 881.5 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 889.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 898.1 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 906.2 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 914.6 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.2 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 931.6 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 940.1 secs Computing kpt #: 138 total cpu time spent up to now is 946.1 secs Computing kpt #: 139 total cpu time spent up to now is 952.8 secs Computing kpt #: 140 total cpu time spent up to now is 959.5 secs Computing kpt #: 141 total cpu time spent up to now is 966.2 secs Computing kpt #: 142 total cpu time spent up to now is 972.7 secs Computing kpt #: 143 total cpu time spent up to now is 978.2 secs Computing kpt #: 144 total cpu time spent up to now is 983.6 secs Computing kpt #: 145 total cpu time spent up to now is 990.4 secs Computing kpt #: 146 total cpu time spent up to now is 997.2 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1006.4 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1014.8 secs Computing kpt #: 149 total cpu time spent up to now is 1021.6 secs Computing kpt #: 150 total cpu time spent up to now is 1028.3 secs Computing kpt #: 151 total cpu time spent up to now is 1034.9 secs Computing kpt #: 152 total cpu time spent up to now is 1041.8 secs Computing kpt #: 153 total cpu time spent up to now is 1048.6 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1057.4 secs Computing kpt #: 155 total cpu time spent up to now is 1064.3 secs Computing kpt #: 156 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1072.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.3 secs Computing kpt #: 158 total cpu time spent up to now is 1087.8 secs Computing kpt #: 159 total cpu time spent up to now is 1094.2 secs Computing kpt #: 160 total cpu time spent up to now is 1099.8 secs Computing kpt #: 161 total cpu time spent up to now is 1105.8 secs Computing kpt #: 162 total cpu time spent up to now is 1111.7 secs Computing kpt #: 163 total cpu time spent up to now is 1117.2 secs Computing kpt #: 164 total cpu time spent up to now is 1123.0 secs Computing kpt #: 165 total cpu time spent up to now is 1128.8 secs Computing kpt #: 166 total cpu time spent up to now is 1135.1 secs Computing kpt #: 167 total cpu time spent up to now is 1141.4 secs Computing kpt #: 168 total cpu time spent up to now is 1148.3 secs Computing kpt #: 169 total cpu time spent up to now is 1155.3 secs Computing kpt #: 170 total cpu time spent up to now is 1162.9 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1171.1 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1179.3 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1187.4 secs Computing kpt #: 174 total cpu time spent up to now is 1193.3 secs Computing kpt #: 175 total cpu time spent up to now is 1199.6 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1208.0 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1216.4 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1224.9 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1233.5 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1242.0 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1250.7 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1259.3 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1267.8 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1276.1 secs Computing kpt #: 185 total cpu time spent up to now is 1283.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1291.6 secs Computing kpt #: 187 total cpu time spent up to now is 1298.0 secs Computing kpt #: 188 total cpu time spent up to now is 1305.1 secs Computing kpt #: 189 total cpu time spent up to now is 1310.9 secs Computing kpt #: 190 total cpu time spent up to now is 1316.9 secs Computing kpt #: 191 total cpu time spent up to now is 1322.8 secs Computing kpt #: 192 total cpu time spent up to now is 1328.7 secs Computing kpt #: 193 total cpu time spent up to now is 1334.7 secs Computing kpt #: 194 total cpu time spent up to now is 1341.1 secs Computing kpt #: 195 total cpu time spent up to now is 1348.4 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1356.4 secs Computing kpt #: 197 total cpu time spent up to now is 1363.8 secs Computing kpt #: 198 total cpu time spent up to now is 1371.5 secs Computing kpt #: 199 total cpu time spent up to now is 1377.0 secs Computing kpt #: 200 total cpu time spent up to now is 1382.6 secs Computing kpt #: 201 total cpu time spent up to now is 1388.1 secs Computing kpt #: 202 total cpu time spent up to now is 1393.4 secs Computing kpt #: 203 total cpu time spent up to now is 1398.5 secs Computing kpt #: 204 total cpu time spent up to now is 1404.0 secs Computing kpt #: 205 total cpu time spent up to now is 1409.5 secs Computing kpt #: 206 total cpu time spent up to now is 1415.3 secs Computing kpt #: 207 total cpu time spent up to now is 1421.1 secs Computing kpt #: 208 total cpu time spent up to now is 1426.9 secs Computing kpt #: 209 total cpu time spent up to now is 1432.4 secs Computing kpt #: 210 total cpu time spent up to now is 1437.6 secs Computing kpt #: 211 total cpu time spent up to now is 1442.6 secs Computing kpt #: 212 total cpu time spent up to now is 1447.6 secs Computing kpt #: 213 total cpu time spent up to now is 1452.6 secs Computing kpt #: 214 total cpu time spent up to now is 1457.7 secs Computing kpt #: 215 total cpu time spent up to now is 1462.9 secs Computing kpt #: 216 total cpu time spent up to now is 1467.8 secs Computing kpt #: 217 total cpu time spent up to now is 1472.8 secs Computing kpt #: 218 total cpu time spent up to now is 1478.2 secs Computing kpt #: 219 total cpu time spent up to now is 1483.6 secs Computing kpt #: 220 total cpu time spent up to now is 1489.0 secs Computing kpt #: 221 total cpu time spent up to now is 1494.5 secs Computing kpt #: 222 total cpu time spent up to now is 1499.9 secs ethr = 1.39E-08, avg # of iterations = 78.8 total cpu time spent up to now is 1499.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16393 PWs) bands (ev): -0.1578 -0.1578 1.3215 1.3215 2.3150 2.3150 2.4949 2.4949 2.4995 2.4995 2.6311 2.6311 3.8495 3.8495 4.3976 4.3976 4.4231 4.4231 4.5590 4.5590 4.6746 4.6746 4.7184 4.7184 4.9030 4.9030 4.9356 4.9356 4.9470 4.9470 5.6424 5.6424 5.6432 5.6432 5.7201 5.7201 5.8614 5.8614 5.8632 5.8632 6.5422 6.5422 6.6592 6.6592 6.6993 6.6993 6.7072 6.7072 6.7233 6.7233 6.8564 6.8564 7.0484 7.0484 7.0896 7.0896 7.3558 7.3558 7.3580 7.3580 7.4875 7.4875 7.5682 7.5682 7.6583 7.6583 7.9541 7.9541 7.9679 7.9679 8.0016 8.0016 8.0052 8.0052 8.0415 8.0415 8.0465 8.0465 8.1906 8.1906 8.2089 8.2089 8.2251 8.2251 8.3028 8.3028 k = 0.0000 0.0238-0.0000 ( 16375 PWs) bands (ev): -0.1562 -0.1562 1.3187 1.3187 2.3159 2.3159 2.4950 2.4950 2.4997 2.4997 2.6314 2.6314 3.8516 3.8516 4.3929 4.3929 4.4181 4.4181 4.5547 4.5547 4.6665 4.6665 4.7082 4.7082 4.9102 4.9102 4.9466 4.9466 4.9582 4.9582 5.6405 5.6405 5.6477 5.6477 5.7109 5.7109 5.8656 5.8656 5.8746 5.8746 6.5418 6.5418 6.6595 6.6595 6.6989 6.6989 6.7072 6.7072 6.7226 6.7226 6.8550 6.8550 7.0475 7.0475 7.0886 7.0886 7.3467 7.3467 7.3521 7.3521 7.4877 7.4877 7.5799 7.5799 7.6599 7.6599 7.9188 7.9188 7.9663 7.9663 7.9996 7.9996 8.0114 8.0114 8.0409 8.0409 8.0617 8.0617 8.1905 8.1905 8.2156 8.2156 8.2250 8.2250 8.3162 8.3162 k = 0.0000 0.0476-0.0000 ( 16391 PWs) bands (ev): -0.1516 -0.1516 1.3104 1.3104 2.3186 2.3186 2.4949 2.4949 2.5008 2.5008 2.6321 2.6321 3.8578 3.8578 4.3790 4.3790 4.4040 4.4040 4.5401 4.5401 4.6365 4.6365 4.6958 4.6958 4.9306 4.9306 4.9704 4.9704 4.9897 4.9897 5.6310 5.6310 5.6609 5.6609 5.6955 5.6955 5.8757 5.8757 5.9031 5.9031 6.5406 6.5406 6.6589 6.6589 6.6975 6.6975 6.7074 6.7074 6.7218 6.7218 6.8506 6.8506 7.0440 7.0440 7.0862 7.0862 7.3220 7.3220 7.3378 7.3378 7.4882 7.4882 7.6101 7.6101 7.6637 7.6637 7.8619 7.8619 7.9626 7.9626 7.9764 7.9764 8.0049 8.0049 8.0464 8.0464 8.0968 8.0968 8.1804 8.1804 8.2245 8.2245 8.2473 8.2473 8.3511 8.3511 k = 0.0000 0.0714-0.0000 ( 16401 PWs) bands (ev): -0.1439 -0.1439 1.2965 1.2965 2.3230 2.3230 2.4942 2.4942 2.5035 2.5035 2.6334 2.6334 3.8680 3.8680 4.3569 4.3569 4.3828 4.3828 4.5137 4.5137 4.5875 4.5875 4.6970 4.6970 4.9621 4.9621 5.0014 5.0014 5.0296 5.0296 5.6073 5.6073 5.6812 5.6812 5.6918 5.6918 5.8920 5.8920 5.9381 5.9381 6.5386 6.5386 6.6527 6.6527 6.6977 6.6977 6.7079 6.7079 6.7231 6.7231 6.8434 6.8434 7.0371 7.0371 7.0834 7.0834 7.2901 7.2901 7.3167 7.3167 7.4888 7.4888 7.6506 7.6506 7.6672 7.6672 7.8024 7.8024 7.9399 7.9399 7.9577 7.9577 7.9848 7.9848 8.0645 8.0645 8.1298 8.1298 8.1653 8.1653 8.2235 8.2235 8.2997 8.2997 8.3988 8.3988 k = 0.0000 0.0952-0.0000 ( 16405 PWs) bands (ev): -0.1331 -0.1331 1.2772 1.2772 2.3292 2.3292 2.4933 2.4933 2.5075 2.5075 2.6350 2.6350 3.8819 3.8819 4.3286 4.3286 4.3561 4.3561 4.4772 4.4772 4.5302 4.5302 4.7099 4.7099 5.0021 5.0021 5.0374 5.0374 5.0687 5.0687 5.5746 5.5746 5.6960 5.6960 5.7123 5.7123 5.9138 5.9138 5.9749 5.9749 6.5355 6.5355 6.6363 6.6363 6.7038 6.7038 6.7092 6.7092 6.7271 6.7271 6.8332 6.8332 7.0255 7.0255 7.0816 7.0816 7.2562 7.2562 7.2909 7.2909 7.4891 7.4891 7.6678 7.6678 7.6966 7.6966 7.7435 7.7435 7.8993 7.8993 7.9524 7.9524 7.9533 7.9533 8.0923 8.0923 8.1517 8.1517 8.1604 8.1604 8.2217 8.2217 8.3647 8.3647 8.4534 8.4534 k = 0.0000 0.1190-0.0000 ( 16385 PWs) bands (ev): -0.1193 -0.1193 1.2528 1.2528 2.3370 2.3370 2.4925 2.4925 2.5129 2.5129 2.6369 2.6369 3.8989 3.8989 4.2959 4.2959 4.3250 4.3250 4.4339 4.4339 4.4699 4.4699 4.7319 4.7319 5.0485 5.0485 5.0763 5.0763 5.1019 5.1019 5.5413 5.5413 5.7100 5.7100 5.7465 5.7465 5.9402 5.9402 6.0114 6.0114 6.5309 6.5309 6.6113 6.6113 6.7090 6.7090 6.7171 6.7171 6.7334 6.7334 6.8202 6.8202 7.0094 7.0094 7.0811 7.0811 7.2226 7.2226 7.2621 7.2621 7.4884 7.4884 7.6647 7.6647 7.6851 7.6851 7.7449 7.7449 7.8602 7.8602 7.9114 7.9114 7.9483 7.9483 8.1267 8.1267 8.1422 8.1422 8.1910 8.1910 8.2192 8.2192 8.4367 8.4367 8.5117 8.5117 k = 0.0000 0.1429-0.0000 ( 16377 PWs) bands (ev): -0.1025 -0.1025 1.2234 1.2234 2.3464 2.3464 2.4925 2.4925 2.5193 2.5193 2.6391 2.6391 3.9187 3.9187 4.2609 4.2609 4.2906 4.2906 4.3867 4.3867 4.4086 4.4086 4.7609 4.7609 5.0995 5.0995 5.1173 5.1173 5.1249 5.1249 5.5126 5.5126 5.7289 5.7289 5.7860 5.7860 5.9704 5.9704 6.0467 6.0467 6.5232 6.5232 6.5819 6.5819 6.7093 6.7093 6.7327 6.7327 6.7428 6.7428 6.8045 6.8045 6.9897 6.9897 7.0814 7.0814 7.1906 7.1906 7.2314 7.2314 7.4860 7.4860 7.6297 7.6297 7.6576 7.6576 7.7824 7.7824 7.8345 7.8345 7.8634 7.8634 7.9452 7.9452 8.1348 8.1348 8.1641 8.1641 8.2199 8.2199 8.2231 8.2231 8.5130 8.5130 8.5719 8.5719 k = 0.0000 0.1667-0.0000 ( 16375 PWs) bands (ev): -0.0826 -0.0826 1.1893 1.1893 2.3574 2.3574 2.4935 2.4935 2.5266 2.5266 2.6414 2.6414 3.9408 3.9408 4.2248 4.2248 4.2538 4.2538 4.3370 4.3370 4.3484 4.3484 4.7957 4.7957 5.1334 5.1334 5.1530 5.1530 5.1612 5.1612 5.4924 5.4924 5.7522 5.7522 5.8293 5.8293 6.0031 6.0031 6.0805 6.0805 6.5066 6.5066 6.5556 6.5556 6.7075 6.7075 6.7464 6.7464 6.7598 6.7598 6.7863 6.7863 6.9677 6.9677 7.0821 7.0821 7.1607 7.1607 7.1992 7.1992 7.4807 7.4807 7.5766 7.5766 7.6464 7.6464 7.7724 7.7724 7.8071 7.8071 7.8664 7.8664 7.9437 7.9437 8.1312 8.1312 8.1813 8.1813 8.2421 8.2421 8.2571 8.2571 8.5919 8.5919 8.6311 8.6313 k = 0.0000 0.1905-0.0000 ( 16367 PWs) bands (ev): -0.0599 -0.0599 1.1510 1.1510 2.3699 2.3699 2.4958 2.4958 2.5347 2.5347 2.6437 2.6437 3.9643 3.9643 4.1884 4.1884 4.2155 4.2155 4.2830 4.2830 4.2937 4.2937 4.8352 4.8352 5.1261 5.1261 5.2006 5.2006 5.2147 5.2147 5.4827 5.4827 5.7796 5.7796 5.8754 5.8754 6.0374 6.0374 6.1125 6.1125 6.4745 6.4745 6.5403 6.5403 6.7026 6.7026 6.7569 6.7569 6.7663 6.7663 6.7842 6.7842 6.9453 6.9453 7.0827 7.0827 7.1333 7.1333 7.1658 7.1658 7.4710 7.4710 7.5265 7.5265 7.6317 7.6317 7.7426 7.7426 7.7575 7.7575 7.9161 7.9161 7.9442 7.9442 8.1290 8.1290 8.1754 8.1754 8.2881 8.2881 8.2931 8.2931 8.6295 8.6295 8.6723 8.6723 k = 0.0000 0.2143-0.0000 ( 16371 PWs) bands (ev): -0.0343 -0.0343 1.1088 1.1088 2.3836 2.3836 2.4995 2.4995 2.5435 2.5435 2.6458 2.6458 3.9882 3.9882 4.1526 4.1526 4.1768 4.1768 4.2257 4.2257 4.2461 4.2461 4.8786 4.8786 5.1038 5.1038 5.2451 5.2451 5.2745 5.2745 5.4829 5.4829 5.8103 5.8103 5.9232 5.9232 6.0723 6.0723 6.1428 6.1428 6.4322 6.4322 6.5321 6.5321 6.6926 6.6926 6.7424 6.7424 6.7697 6.7697 6.8119 6.8119 6.9248 6.9248 7.0822 7.0822 7.1085 7.1085 7.1317 7.1317 7.4551 7.4551 7.4811 7.4811 7.6140 7.6140 7.6904 7.6904 7.7344 7.7344 7.9460 7.9460 7.9695 7.9695 8.1278 8.1278 8.1618 8.1618 8.3310 8.3310 8.3411 8.3411 8.6196 8.6196 8.7486 8.7491 k = 0.0000 0.2381-0.0000 ( 16396 PWs) bands (ev): -0.0058 -0.0058 1.0631 1.0631 2.3986 2.3986 2.5048 2.5048 2.5527 2.5527 2.6475 2.6475 4.0101 4.0101 4.1178 4.1178 4.1383 4.1383 4.1696 4.1696 4.2045 4.2045 4.9251 4.9251 5.0698 5.0698 5.2898 5.2898 5.3366 5.3366 5.4896 5.4896 5.8432 5.8432 5.9720 5.9720 6.1070 6.1070 6.1715 6.1715 6.3859 6.3859 6.5262 6.5262 6.6755 6.6755 6.7183 6.7183 6.7812 6.7812 6.8416 6.8416 6.9090 6.9090 7.0757 7.0757 7.0877 7.0877 7.1003 7.1003 7.4260 7.4260 7.4476 7.4476 7.5933 7.5933 7.6334 7.6334 7.7239 7.7239 7.9503 7.9503 8.0229 8.0229 8.1270 8.1270 8.1443 8.1443 8.3709 8.3709 8.3944 8.3944 8.6131 8.6131 8.8055 8.8055 k = 0.0000 0.2619-0.0000 ( 16404 PWs) bands (ev): 0.0254 0.0254 1.0146 1.0146 2.4147 2.4147 2.5116 2.5116 2.5620 2.5620 2.6487 2.6487 4.0244 4.0244 4.0844 4.0844 4.1009 4.1009 4.1163 4.1163 4.1743 4.1743 4.9730 4.9730 5.0289 5.0289 5.3346 5.3346 5.4005 5.4005 5.4998 5.4998 5.8770 5.8770 6.0209 6.0209 6.1407 6.1407 6.1983 6.1983 6.3393 6.3393 6.5211 6.5211 6.6502 6.6502 6.6929 6.6929 6.7925 6.7925 6.8706 6.8706 6.9014 6.9014 7.0502 7.0502 7.0663 7.0663 7.0892 7.0892 7.3873 7.3873 7.4241 7.4241 7.5688 7.5688 7.5781 7.5781 7.7212 7.7212 7.9561 7.9561 8.0757 8.0757 8.1243 8.1243 8.1264 8.1264 8.4124 8.4124 8.4431 8.4431 8.6140 8.6140 8.8550 8.8550 k = 0.0000 0.2857-0.0000 ( 16412 PWs) bands (ev): 0.0593 0.0593 0.9636 0.9636 2.4317 2.4317 2.5197 2.5197 2.5713 2.5713 2.6490 2.6490 4.0215 4.0215 4.0527 4.0527 4.0632 4.0632 4.0682 4.0682 4.1653 4.1653 4.9771 4.9771 5.0287 5.0287 5.3793 5.3793 5.4658 5.4658 5.5109 5.5109 5.9090 5.9090 6.0691 6.0691 6.1730 6.1730 6.2213 6.2213 6.2974 6.2974 6.5162 6.5162 6.6166 6.6166 6.6665 6.6665 6.8025 6.8025 6.8856 6.8856 6.9147 6.9147 7.0139 7.0139 7.0479 7.0479 7.0865 7.0865 7.3499 7.3499 7.4018 7.4018 7.5204 7.5204 7.5459 7.5459 7.7248 7.7248 7.9637 7.9637 8.1023 8.1023 8.1228 8.1228 8.1303 8.1303 8.4554 8.4554 8.4794 8.4794 8.6292 8.6292 8.8962 8.8962 k = 0.0000 0.3095-0.0000 ( 16396 PWs) bands (ev): 0.0958 0.0958 0.9107 0.9107 2.4494 2.4494 2.5290 2.5290 2.5803 2.5803 2.6484 2.6484 4.0004 4.0004 4.0185 4.0185 4.0228 4.0228 4.0333 4.0333 4.1794 4.1794 4.9282 4.9282 5.0798 5.0798 5.4235 5.4235 5.5213 5.5213 5.5323 5.5323 5.9356 5.9356 6.1158 6.1158 6.2034 6.2034 6.2268 6.2268 6.2781 6.2781 6.5112 6.5112 6.5761 6.5761 6.6398 6.6398 6.8096 6.8096 6.8894 6.8894 6.9433 6.9433 6.9760 6.9760 7.0335 7.0335 7.0841 7.0841 7.3158 7.3158 7.3808 7.3808 7.4675 7.4675 7.5185 7.5185 7.7333 7.7333 7.9727 7.9727 8.0792 8.0792 8.1232 8.1232 8.1782 8.1782 8.4969 8.4969 8.5001 8.5001 8.6632 8.6632 8.9273 8.9273 k = 0.0000 0.3333-0.0000 ( 16396 PWs) bands (ev): 0.1348 0.1348 0.8563 0.8563 2.4676 2.4676 2.5392 2.5392 2.5885 2.5885 2.6466 2.6466 3.9702 3.9702 3.9773 3.9773 3.9946 3.9946 4.0032 4.0032 4.2071 4.2071 4.8761 4.8761 5.1331 5.1331 5.4666 5.4666 5.5304 5.5304 5.5994 5.5994 5.9507 5.9507 6.1597 6.1597 6.2081 6.2081 6.2324 6.2324 6.2938 6.2938 6.5057 6.5057 6.5307 6.5307 6.6130 6.6130 6.8119 6.8119 6.8948 6.8948 6.9335 6.9335 6.9769 6.9769 7.0240 7.0240 7.0807 7.0807 7.2855 7.2855 7.3621 7.3621 7.4170 7.4170 7.4899 7.4899 7.7455 7.7455 7.9829 7.9829 8.0553 8.0553 8.1208 8.1208 8.2258 8.2258 8.5021 8.5021 8.5442 8.5442 8.7105 8.7105 8.9481 8.9481 k = 0.0000 0.3571-0.0000 ( 16392 PWs) bands (ev): 0.1762 0.1762 0.8008 0.8008 2.4861 2.4861 2.5500 2.5500 2.5958 2.5958 2.6434 2.6434 3.9366 3.9366 3.9423 3.9423 3.9693 3.9693 3.9766 3.9766 4.2417 4.2417 4.8229 4.8229 5.1869 5.1869 5.5081 5.5081 5.5370 5.5370 5.6672 5.6672 5.9475 5.9475 6.1951 6.1951 6.2031 6.2031 6.2589 6.2589 6.3189 6.3189 6.4810 6.4810 6.5009 6.5009 6.5867 6.5867 6.8077 6.8077 6.8913 6.8913 6.9061 6.9061 7.0052 7.0052 7.0208 7.0208 7.0763 7.0763 7.2595 7.2595 7.3464 7.3464 7.3700 7.3700 7.4605 7.4605 7.7607 7.7607 7.9941 7.9941 8.0310 8.0310 8.1173 8.1173 8.2702 8.2702 8.5002 8.5002 8.5891 8.5891 8.7625 8.7625 8.9592 8.9592 k = 0.0000 0.3810-0.0000 ( 16404 PWs) bands (ev): 0.2199 0.2199 0.7447 0.7447 2.5046 2.5046 2.5609 2.5609 2.6018 2.6018 2.6386 2.6386 3.9050 3.9050 3.9123 3.9123 3.9473 3.9473 3.9537 3.9537 4.2804 4.2804 4.7692 4.7692 5.2405 5.2405 5.5403 5.5403 5.5476 5.5476 5.7354 5.7354 5.9249 5.9249 6.2048 6.2048 6.2335 6.2335 6.2829 6.2829 6.3462 6.3462 6.4334 6.4334 6.4938 6.4938 6.5614 6.5614 6.7964 6.7964 6.8538 6.8538 6.9153 6.9153 7.0231 7.0231 7.0315 7.0315 7.0708 7.0708 7.2379 7.2379 7.3273 7.3273 7.3340 7.3340 7.4311 7.4311 7.7780 7.7780 8.0021 8.0021 8.0105 8.0105 8.1127 8.1127 8.3109 8.3109 8.4952 8.4952 8.6335 8.6335 8.8131 8.8131 8.9589 8.9589 k = 0.0000 0.4048-0.0000 ( 16410 PWs) bands (ev): 0.2657 0.2657 0.6884 0.6884 2.5230 2.5230 2.5716 2.5716 2.6062 2.6062 2.6321 2.6321 3.8785 3.8785 3.8862 3.8862 3.9288 3.9288 3.9345 3.9345 4.3219 4.3219 4.7155 4.7155 5.2932 5.2932 5.5395 5.5395 5.5850 5.5850 5.8036 5.8036 5.8894 5.8894 6.2241 6.2241 6.2510 6.2510 6.3033 6.3033 6.3741 6.3741 6.3950 6.3950 6.4857 6.4857 6.5378 6.5378 6.7796 6.7796 6.8167 6.8167 6.9280 6.9280 7.0307 7.0307 7.0507 7.0507 7.0668 7.0668 7.2210 7.2210 7.2898 7.2898 7.3248 7.3248 7.4026 7.4026 7.7971 7.7971 7.9807 7.9807 8.0200 8.0200 8.1067 8.1067 8.3471 8.3471 8.4885 8.4885 8.6766 8.6766 8.8559 8.8559 8.9492 8.9492 k = 0.0000 0.4286-0.0000 ( 16406 PWs) bands (ev): 0.3135 0.3135 0.6322 0.6322 2.5408 2.5408 2.5816 2.5816 2.6087 2.6087 2.6239 2.6239 3.8577 3.8577 3.8647 3.8647 3.9144 3.9144 3.9191 3.9191 4.3657 4.3657 4.6623 4.6623 5.3440 5.3440 5.5333 5.5333 5.6205 5.6205 5.8453 5.8453 5.8743 5.8743 6.2372 6.2372 6.2485 6.2485 6.3180 6.3180 6.3826 6.3826 6.4016 6.4016 6.4758 6.4758 6.5167 6.5167 6.7603 6.7603 6.7830 6.7830 6.9427 6.9427 7.0347 7.0347 7.0572 7.0572 7.0749 7.0749 7.2091 7.2091 7.2584 7.2584 7.3188 7.3188 7.3764 7.3764 7.8176 7.8176 7.9564 7.9564 8.0327 8.0327 8.0994 8.0994 8.3786 8.3786 8.4805 8.4805 8.7178 8.7178 8.8776 8.8776 8.9483 8.9483 k = 0.0000 0.4524-0.0000 ( 16400 PWs) bands (ev): 0.3632 0.3632 0.5764 0.5764 2.5579 2.5579 2.5906 2.5906 2.6092 2.6092 2.6140 2.6140 3.8432 3.8432 3.8484 3.8484 3.9043 3.9043 3.9077 3.9077 4.4115 4.4115 4.6099 4.6099 5.3917 5.3917 5.5205 5.5205 5.6547 5.6547 5.8039 5.8039 5.9408 5.9408 6.1933 6.1933 6.2736 6.2736 6.3257 6.3257 6.3942 6.3942 6.4275 6.4275 6.4638 6.4638 6.4989 6.4989 6.7422 6.7422 6.7550 6.7550 6.9590 6.9590 7.0264 7.0264 7.0666 7.0666 7.0848 7.0848 7.2023 7.2023 7.2339 7.2339 7.3162 7.3162 7.3537 7.3537 7.8391 7.8391 7.9321 7.9321 8.0455 8.0455 8.0908 8.0908 8.4052 8.4052 8.4709 8.4709 8.7561 8.7561 8.8700 8.8700 8.9659 8.9659 k = 0.0000 0.4762-0.0000 ( 16388 PWs) bands (ev): 0.4145 0.4145 0.5214 0.5214 2.5740 2.5740 2.5979 2.5979 2.6023 2.6023 2.6077 2.6077 3.8350 3.8350 3.8378 3.8378 3.8986 3.8986 3.9003 3.9003 4.4590 4.4590 4.5583 4.5583 5.4346 5.4346 5.5000 5.5000 5.6888 5.6888 5.7628 5.7628 6.0077 6.0077 6.1360 6.1360 6.2964 6.2964 6.3247 6.3247 6.4132 6.4132 6.4477 6.4477 6.4517 6.4517 6.4838 6.4838 6.7297 6.7297 6.7354 6.7354 6.9764 6.9764 7.0116 7.0116 7.0779 7.0779 7.0888 7.0888 7.2010 7.2010 7.2163 7.2163 7.3177 7.3177 7.3360 7.3360 7.8615 7.8615 7.9081 7.9081 8.0580 8.0580 8.0809 8.0809 8.4271 8.4271 8.4593 8.4593 8.7909 8.7909 8.8488 8.8488 8.9852 8.9853 k = 0.0000 0.5000-0.0000 ( 16400 PWs) bands (ev): 0.4673 0.4673 0.4673 0.4673 2.5887 2.5887 2.5887 2.5887 2.6039 2.6039 2.6039 2.6039 3.8333 3.8333 3.8333 3.8333 3.8972 3.8972 3.8972 3.8972 4.5080 4.5080 4.5080 4.5080 5.4712 5.4712 5.4712 5.4712 5.7245 5.7245 5.7245 5.7245 6.0732 6.0732 6.0732 6.0732 6.3143 6.3143 6.3143 6.3143 6.4321 6.4321 6.4321 6.4321 6.4686 6.4686 6.4686 6.4686 6.7267 6.7267 6.7267 6.7267 6.9943 6.9943 6.9943 6.9943 7.0861 7.0861 7.0861 7.0861 7.2055 7.2055 7.2055 7.2055 7.3240 7.3240 7.3240 7.3240 7.8846 7.8846 7.8846 7.8846 8.0699 8.0699 8.0699 8.0699 8.4449 8.4449 8.4449 8.4449 8.8219 8.8219 8.8219 8.8219 8.9975 8.9975 k = 0.0000 0.5000-0.0000 ( 16400 PWs) bands (ev): 0.4673 0.4673 0.4673 0.4673 2.5887 2.5887 2.5887 2.5887 2.6039 2.6039 2.6039 2.6039 3.8333 3.8333 3.8333 3.8333 3.8972 3.8972 3.8972 3.8972 4.5080 4.5080 4.5080 4.5080 5.4712 5.4712 5.4712 5.4712 5.7245 5.7245 5.7245 5.7245 6.0732 6.0732 6.0732 6.0732 6.3143 6.3143 6.3143 6.3143 6.4321 6.4321 6.4321 6.4321 6.4686 6.4686 6.4686 6.4686 6.7267 6.7267 6.7267 6.7267 6.9943 6.9943 6.9943 6.9943 7.0861 7.0861 7.0861 7.0861 7.2055 7.2055 7.2055 7.2055 7.3240 7.3240 7.3240 7.3240 7.8846 7.8846 7.8846 7.8846 8.0699 8.0699 8.0699 8.0699 8.4449 8.4449 8.4449 8.4449 8.8219 8.8219 8.8219 8.8219 8.9975 8.9975 k = 0.0238 0.5000-0.0000 ( 16390 PWs) bands (ev): 0.4684 0.4684 0.4684 0.4684 2.5893 2.5893 2.5893 2.5893 2.5999 2.5999 2.5999 2.5999 3.8355 3.8355 3.8355 3.8355 3.8960 3.8960 3.8960 3.8960 4.5082 4.5082 4.5082 4.5082 5.4718 5.4718 5.4718 5.4718 5.7257 5.7257 5.7257 5.7257 6.0720 6.0720 6.0720 6.0720 6.3124 6.3124 6.3124 6.3124 6.4349 6.4349 6.4349 6.4349 6.4720 6.4720 6.4720 6.4720 6.7279 6.7279 6.7279 6.7279 6.9938 6.9938 6.9938 6.9938 7.0848 7.0848 7.0848 7.0848 7.2045 7.2045 7.2045 7.2045 7.3245 7.3245 7.3245 7.3245 7.8822 7.8822 7.8822 7.8822 8.0710 8.0710 8.0710 8.0710 8.4397 8.4397 8.4397 8.4397 8.8190 8.8190 8.8190 8.8190 9.0008 9.0008 k = 0.0476 0.5000-0.0000 ( 16400 PWs) bands (ev): 0.4715 0.4715 0.4715 0.4715 2.5874 2.5874 2.5874 2.5874 2.5917 2.5917 2.5917 2.5917 3.8419 3.8419 3.8419 3.8419 3.8922 3.8922 3.8922 3.8922 4.5087 4.5087 4.5087 4.5087 5.4736 5.4736 5.4736 5.4736 5.7294 5.7294 5.7294 5.7294 6.0686 6.0686 6.0686 6.0686 6.3074 6.3074 6.3074 6.3074 6.4429 6.4429 6.4429 6.4429 6.4814 6.4814 6.4814 6.4814 6.7314 6.7314 6.7314 6.7314 6.9923 6.9923 6.9923 6.9923 7.0809 7.0809 7.0809 7.0809 7.2015 7.2015 7.2015 7.2015 7.3259 7.3259 7.3259 7.3259 7.8751 7.8751 7.8751 7.8751 8.0744 8.0744 8.0744 8.0744 8.4246 8.4246 8.4246 8.4246 8.8107 8.8107 8.8107 8.8107 9.0108 9.0108 k = 0.0714 0.5000-0.0000 ( 16412 PWs) bands (ev): 0.4766 0.4766 0.4766 0.4766 2.5682 2.5682 2.5682 2.5682 2.5946 2.5946 2.5946 2.5946 3.8523 3.8523 3.8523 3.8523 3.8859 3.8859 3.8859 3.8859 4.5093 4.5093 4.5093 4.5093 5.4768 5.4768 5.4768 5.4768 5.7355 5.7355 5.7355 5.7355 6.0636 6.0636 6.0636 6.0636 6.3000 6.3000 6.3000 6.3000 6.4556 6.4556 6.4556 6.4556 6.4956 6.4956 6.4956 6.4956 6.7374 6.7374 6.7374 6.7374 6.9897 6.9897 6.9897 6.9897 7.0750 7.0750 7.0750 7.0750 7.1965 7.1965 7.1965 7.1965 7.3282 7.3282 7.3282 7.3282 7.8635 7.8635 7.8635 7.8635 8.0800 8.0800 8.0800 8.0800 8.4010 8.4010 8.4010 8.4010 8.7978 8.7978 8.7978 8.7978 9.0265 9.0265 k = 0.0952 0.5000-0.0000 ( 16420 PWs) bands (ev): 0.4837 0.4837 0.4837 0.4837 2.5420 2.5420 2.5420 2.5420 2.5989 2.5989 2.5989 2.5989 3.8660 3.8660 3.8660 3.8660 3.8774 3.8774 3.8774 3.8774 4.5097 4.5097 4.5097 4.5097 5.4817 5.4817 5.4817 5.4817 5.7440 5.7440 5.7440 5.7440 6.0573 6.0573 6.0573 6.0573 6.2911 6.2911 6.2911 6.2911 6.4724 6.4724 6.4724 6.4724 6.5128 6.5128 6.5128 6.5128 6.7459 6.7459 6.7459 6.7459 6.9862 6.9862 6.9862 6.9862 7.0675 7.0675 7.0675 7.0675 7.1897 7.1897 7.1897 7.1897 7.3311 7.3311 7.3311 7.3311 7.8475 7.8475 7.8475 7.8475 8.0878 8.0878 8.0878 8.0878 8.3705 8.3705 8.3705 8.3705 8.7814 8.7814 8.7814 8.7814 9.0467 9.0467 k = 0.1190 0.5000-0.0000 ( 16412 PWs) bands (ev): 0.4927 0.4927 0.4927 0.4927 2.5100 2.5100 2.5100 2.5100 2.6044 2.6044 2.6044 2.6044 3.8663 3.8663 3.8663 3.8663 3.8830 3.8830 3.8830 3.8830 4.5095 4.5095 4.5095 4.5095 5.4886 5.4886 5.4886 5.4886 5.7547 5.7547 5.7547 5.7547 6.0506 6.0506 6.0506 6.0506 6.2815 6.2815 6.2815 6.2815 6.4923 6.4923 6.4923 6.4923 6.5314 6.5314 6.5314 6.5314 6.7572 6.7572 6.7572 6.7572 6.9817 6.9817 6.9817 6.9817 7.0595 7.0595 7.0595 7.0595 7.1812 7.1812 7.1812 7.1812 7.3346 7.3346 7.3346 7.3346 7.8276 7.8276 7.8276 7.8276 8.0978 8.0978 8.0978 8.0978 8.3349 8.3349 8.3349 8.3349 8.7628 8.7628 8.7628 8.7628 9.0702 9.0702 k = 0.1429 0.5000-0.0000 ( 16426 PWs) bands (ev): 0.5035 0.5035 0.5035 0.5035 2.4732 2.4732 2.4732 2.4732 2.6109 2.6109 2.6109 2.6109 3.8536 3.8536 3.8536 3.8536 3.9020 3.9020 3.9020 3.9020 4.5083 4.5083 4.5083 4.5083 5.4978 5.4978 5.4978 5.4978 5.7676 5.7676 5.7676 5.7676 6.0438 6.0438 6.0438 6.0438 6.2714 6.2714 6.2714 6.2714 6.5146 6.5146 6.5146 6.5146 6.5497 6.5497 6.5497 6.5497 6.7713 6.7713 6.7713 6.7713 6.9764 6.9764 6.9764 6.9764 7.0519 7.0519 7.0519 7.0519 7.1711 7.1711 7.1711 7.1711 7.3384 7.3384 7.3384 7.3384 7.8041 7.8041 7.8041 7.8041 8.1098 8.1098 8.1098 8.1098 8.2956 8.2956 8.2956 8.2956 8.7433 8.7433 8.7433 8.7433 9.0953 9.0953 k = 0.1667 0.5000-0.0000 ( 16432 PWs) bands (ev): 0.5160 0.5160 0.5160 0.5160 2.4327 2.4327 2.4327 2.4327 2.6184 2.6184 2.6184 2.6184 3.8391 3.8391 3.8391 3.8391 3.9227 3.9227 3.9227 3.9227 4.5056 4.5056 4.5056 4.5056 5.5096 5.5096 5.5096 5.5096 5.7825 5.7825 5.7825 5.7825 6.0375 6.0375 6.0375 6.0375 6.2611 6.2611 6.2611 6.2611 6.5382 6.5382 6.5382 6.5382 6.5663 6.5663 6.5663 6.5663 6.7885 6.7885 6.7885 6.7885 6.9703 6.9703 6.9703 6.9703 7.0459 7.0459 7.0459 7.0459 7.1597 7.1597 7.1597 7.1597 7.3424 7.3424 7.3424 7.3424 7.7776 7.7776 7.7776 7.7776 8.1238 8.1238 8.1238 8.1238 8.2539 8.2539 8.2539 8.2539 8.7237 8.7237 8.7237 8.7237 9.1211 9.1211 k = 0.1905 0.5000-0.0000 ( 16438 PWs) bands (ev): 0.5299 0.5299 0.5299 0.5299 2.3894 2.3894 2.3894 2.3894 2.6268 2.6268 2.6268 2.6268 3.8231 3.8231 3.8231 3.8231 3.9449 3.9449 3.9449 3.9449 4.5012 4.5012 4.5012 4.5012 5.5241 5.5241 5.5241 5.5241 5.7992 5.7992 5.7992 5.7992 6.0320 6.0320 6.0320 6.0320 6.2506 6.2506 6.2506 6.2506 6.5616 6.5616 6.5616 6.5616 6.5806 6.5806 6.5806 6.5806 6.8086 6.8086 6.8086 6.8086 6.9635 6.9635 6.9635 6.9635 7.0429 7.0429 7.0429 7.0429 7.1471 7.1471 7.1471 7.1471 7.3467 7.3467 7.3467 7.3467 7.7484 7.7484 7.7484 7.7484 8.1394 8.1394 8.1394 8.1394 8.2109 8.2109 8.2109 8.2109 8.7048 8.7048 8.7048 8.7048 9.1461 9.1461 k = 0.2143 0.5000-0.0000 ( 16436 PWs) bands (ev): 0.5451 0.5451 0.5451 0.5451 2.3443 2.3443 2.3443 2.3443 2.6359 2.6359 2.6359 2.6359 3.8060 3.8060 3.8060 3.8060 3.9680 3.9680 3.9680 3.9680 4.4946 4.4946 4.4946 4.4946 5.5411 5.5411 5.5411 5.5411 5.8176 5.8176 5.8176 5.8176 6.0274 6.0274 6.0274 6.0274 6.2400 6.2400 6.2400 6.2400 6.5785 6.5785 6.5785 6.5785 6.5972 6.5972 6.5972 6.5972 6.8312 6.8312 6.8312 6.8312 6.9562 6.9562 6.9562 6.9562 7.0440 7.0440 7.0440 7.0440 7.1335 7.1335 7.1335 7.1335 7.3511 7.3511 7.3511 7.3511 7.7172 7.7172 7.7172 7.7172 8.1538 8.1538 8.1538 8.1538 8.1699 8.1699 8.1699 8.1699 8.6870 8.6870 8.6870 8.6870 9.1686 9.1686 k = 0.2381 0.5000-0.0000 ( 16422 PWs) bands (ev): 0.5615 0.5615 0.5615 0.5615 2.2985 2.2985 2.2985 2.2985 2.6456 2.6456 2.6456 2.6456 3.7881 3.7881 3.7881 3.7881 3.9919 3.9919 3.9919 3.9919 4.4859 4.4859 4.4859 4.4859 5.5607 5.5607 5.5607 5.5607 5.8374 5.8374 5.8374 5.8374 6.0238 6.0238 6.0238 6.0238 6.2293 6.2293 6.2293 6.2293 6.5832 6.5832 6.5832 6.5832 6.6204 6.6204 6.6204 6.6204 6.8555 6.8555 6.8555 6.8555 6.9484 6.9484 6.9484 6.9484 7.0503 7.0503 7.0503 7.0503 7.1193 7.1193 7.1193 7.1193 7.3557 7.3557 7.3557 7.3557 7.6844 7.6844 7.6844 7.6844 8.1212 8.1212 8.1212 8.1212 8.1772 8.1772 8.1772 8.1772 8.6709 8.6709 8.6709 8.6709 9.1860 9.1860 k = 0.2619 0.5000-0.0000 ( 16422 PWs) bands (ev): 0.5785 0.5785 0.5785 0.5785 2.2527 2.2527 2.2527 2.2527 2.6556 2.6556 2.6556 2.6556 3.7698 3.7698 3.7698 3.7698 4.0163 4.0163 4.0163 4.0163 4.4748 4.4748 4.4748 4.4748 5.5823 5.5823 5.5823 5.5823 5.8583 5.8583 5.8583 5.8583 6.0212 6.0212 6.0212 6.0212 6.2187 6.2187 6.2187 6.2187 6.5803 6.5803 6.5803 6.5803 6.6456 6.6456 6.6456 6.6456 6.8806 6.8806 6.8806 6.8806 6.9406 6.9406 6.9406 6.9406 7.0619 7.0619 7.0619 7.0619 7.1049 7.1049 7.1049 7.1049 7.3604 7.3604 7.3604 7.3604 7.6508 7.6508 7.6508 7.6508 8.0779 8.0779 8.0779 8.0779 8.1965 8.1965 8.1965 8.1965 8.6565 8.6565 8.6565 8.6565 9.1939 9.1939 k = 0.2857 0.5000-0.0000 ( 16422 PWs) bands (ev): 0.5961 0.5961 0.5961 0.5961 2.2078 2.2078 2.2078 2.2078 2.6659 2.6659 2.6659 2.6659 3.7514 3.7514 3.7514 3.7514 4.0411 4.0411 4.0411 4.0411 4.4615 4.4615 4.4615 4.4615 5.6055 5.6055 5.6055 5.6055 5.8797 5.8797 5.8797 5.8797 6.0196 6.0196 6.0196 6.0196 6.2083 6.2083 6.2083 6.2083 6.5718 6.5718 6.5718 6.5718 6.6706 6.6706 6.6706 6.6706 6.9049 6.9049 6.9049 6.9049 6.9337 6.9337 6.9337 6.9337 7.0763 7.0763 7.0763 7.0763 7.0925 7.0925 7.0925 7.0925 7.3653 7.3653 7.3653 7.3653 7.6170 7.6170 7.6170 7.6170 8.0354 8.0354 8.0354 8.0354 8.2167 8.2167 8.2167 8.2167 8.6443 8.6443 8.6443 8.6443 9.1880 9.1880 k = 0.3095 0.5000-0.0000 ( 16438 PWs) bands (ev): 0.6137 0.6137 0.6137 0.6137 2.1646 2.1646 2.1646 2.1646 2.6760 2.6760 2.6760 2.6760 3.7334 3.7334 3.7334 3.7334 4.0662 4.0662 4.0662 4.0662 4.4461 4.4461 4.4461 4.4461 5.6299 5.6299 5.6299 5.6299 5.9012 5.9012 5.9012 5.9012 6.0189 6.0189 6.0189 6.0189 6.1984 6.1984 6.1984 6.1984 6.5588 6.5588 6.5588 6.5588 6.6948 6.6948 6.6948 6.6948 6.9179 6.9179 6.9179 6.9179 6.9384 6.9384 6.9384 6.9384 7.0714 7.0714 7.0714 7.0714 7.1031 7.1031 7.1031 7.1031 7.3701 7.3701 7.3701 7.3701 7.5837 7.5837 7.5837 7.5837 7.9943 7.9943 7.9943 7.9943 8.2370 8.2370 8.2370 8.2370 8.6343 8.6343 8.6343 8.6343 9.1698 9.1698 k = 0.3333 0.5000-0.0000 ( 16446 PWs) bands (ev): 0.6310 0.6310 0.6310 0.6310 2.1240 2.1240 2.1240 2.1240 2.6859 2.6859 2.6859 2.6859 3.7162 3.7162 3.7162 3.7162 4.0916 4.0916 4.0916 4.0916 4.4287 4.4287 4.4287 4.4287 5.6546 5.6546 5.6546 5.6546 5.9220 5.9220 5.9220 5.9220 6.0189 6.0189 6.0189 6.0189 6.1894 6.1894 6.1894 6.1894 6.5426 6.5426 6.5426 6.5426 6.7177 6.7177 6.7177 6.7177 6.9130 6.9130 6.9130 6.9130 6.9615 6.9615 6.9615 6.9615 7.0571 7.0571 7.0571 7.0571 7.1252 7.1252 7.1252 7.1252 7.3748 7.3748 7.3748 7.3748 7.5520 7.5520 7.5520 7.5520 7.9553 7.9553 7.9553 7.9553 8.2568 8.2568 8.2568 8.2568 8.6266 8.6266 8.6266 8.6266 9.1448 9.1448 k = 0.3571 0.5000-0.0000 ( 16436 PWs) bands (ev): 0.6475 0.6475 0.6475 0.6475 2.0867 2.0867 2.0867 2.0867 2.6952 2.6952 2.6952 2.6952 3.7001 3.7001 3.7001 3.7001 4.1171 4.1171 4.1171 4.1171 4.4097 4.4097 4.4097 4.4097 5.6791 5.6791 5.6791 5.6791 5.9411 5.9411 5.9411 5.9411 6.0195 6.0195 6.0195 6.0195 6.1820 6.1820 6.1820 6.1820 6.5242 6.5242 6.5242 6.5242 6.7390 6.7390 6.7390 6.7390 6.9066 6.9066 6.9066 6.9066 6.9868 6.9868 6.9868 6.9868 7.0424 7.0424 7.0424 7.0424 7.1475 7.1475 7.1475 7.1475 7.3790 7.3790 7.3790 7.3790 7.5229 7.5229 7.5229 7.5229 7.9188 7.9188 7.9188 7.9188 8.2754 8.2754 8.2754 8.2754 8.6213 8.6213 8.6213 8.6213 9.1178 9.1178 k = 0.3810 0.5000-0.0000 ( 16442 PWs) bands (ev): 0.6627 0.6627 0.6627 0.6627 2.0535 2.0535 2.0535 2.0535 2.7037 2.7037 2.7037 2.7037 3.6857 3.6857 3.6857 3.6857 4.1428 4.1428 4.1428 4.1428 4.3891 4.3891 4.3891 4.3891 5.7025 5.7025 5.7025 5.7025 5.9575 5.9575 5.9575 5.9575 6.0205 6.0205 6.0205 6.0205 6.1768 6.1768 6.1768 6.1768 6.5049 6.5049 6.5049 6.5049 6.7581 6.7581 6.7581 6.7581 6.9011 6.9011 6.9011 6.9011 7.0113 7.0113 7.0113 7.0113 7.0295 7.0295 7.0295 7.0295 7.1672 7.1672 7.1672 7.1672 7.3823 7.3823 7.3823 7.3823 7.4980 7.4980 7.4980 7.4980 7.8857 7.8857 7.8857 7.8857 8.2921 8.2921 8.2921 8.2921 8.6182 8.6182 8.6182 8.6182 9.0918 9.0918 k = 0.4048 0.5000-0.0000 ( 16424 PWs) bands (ev): 0.6761 0.6761 0.6761 0.6761 2.0251 2.0251 2.0251 2.0251 2.7112 2.7112 2.7112 2.7112 3.6733 3.6733 3.6733 3.6733 4.1685 4.1685 4.1685 4.1685 4.3673 4.3673 4.3673 4.3673 5.7240 5.7240 5.7240 5.7240 5.9702 5.9702 5.9702 5.9702 6.0217 6.0217 6.0217 6.0217 6.1742 6.1742 6.1742 6.1742 6.4859 6.4859 6.4859 6.4859 6.7745 6.7745 6.7745 6.7745 6.8973 6.8973 6.8973 6.8973 7.0120 7.0120 7.0120 7.0120 7.0410 7.0410 7.0410 7.0410 7.1817 7.1817 7.1817 7.1817 7.3842 7.3842 7.3842 7.3842 7.4786 7.4786 7.4786 7.4786 7.8567 7.8567 7.8567 7.8567 8.3065 8.3065 8.3065 8.3065 8.6169 8.6169 8.6169 8.6169 9.0685 9.0685 k = 0.4286 0.5000-0.0000 ( 16426 PWs) bands (ev): 0.6871 0.6871 0.6871 0.6871 2.0022 2.0022 2.0022 2.0022 2.7172 2.7172 2.7172 2.7172 3.6632 3.6632 3.6632 3.6632 4.1942 4.1942 4.1942 4.1942 4.3444 4.3444 4.3444 4.3444 5.7425 5.7425 5.7425 5.7425 5.9788 5.9788 5.9788 5.9788 6.0230 6.0230 6.0230 6.0230 6.1744 6.1744 6.1744 6.1744 6.4685 6.4685 6.4685 6.4685 6.7876 6.7876 6.7876 6.7876 6.8956 6.8956 6.8956 6.8956 7.0001 7.0001 7.0001 7.0001 7.0655 7.0655 7.0655 7.0655 7.1891 7.1891 7.1891 7.1891 7.3849 7.3849 7.3849 7.3849 7.4657 7.4657 7.4657 7.4657 7.8326 7.8326 7.8326 7.8326 8.3180 8.3180 8.3180 8.3180 8.6170 8.6170 8.6170 8.6170 9.0492 9.0492 k = 0.4524 0.5000-0.0000 ( 16412 PWs) bands (ev): 0.6954 0.6954 0.6954 0.6954 1.9854 1.9854 1.9854 1.9854 2.7217 2.7217 2.7217 2.7217 3.6558 3.6558 3.6558 3.6558 4.2197 4.2197 4.2197 4.2197 4.3208 4.3208 4.3208 4.3208 5.7569 5.7569 5.7569 5.7569 5.9836 5.9836 5.9836 5.9836 6.0240 6.0240 6.0240 6.0240 6.1765 6.1765 6.1765 6.1765 6.4544 6.4544 6.4544 6.4544 6.7969 6.7969 6.7969 6.7969 6.8959 6.8959 6.8959 6.8959 6.9897 6.9897 6.9897 6.9897 7.0886 7.0886 7.0886 7.0886 7.1891 7.1891 7.1891 7.1891 7.3850 7.3850 7.3850 7.3850 7.4585 7.4585 7.4585 7.4585 7.8144 7.8144 7.8144 7.8144 8.3264 8.3264 8.3264 8.3264 8.6179 8.6179 8.6179 8.6179 9.0348 9.0348 k = 0.4762 0.5000-0.0000 ( 16424 PWs) bands (ev): 0.7005 0.7005 0.7005 0.7005 1.9751 1.9751 1.9751 1.9751 2.7245 2.7245 2.7245 2.7245 3.6512 3.6512 3.6512 3.6512 4.2449 4.2449 4.2449 4.2449 4.2968 4.2968 4.2968 4.2968 5.7661 5.7661 5.7661 5.7661 5.9857 5.9857 5.9857 5.9857 6.0248 6.0248 6.0248 6.0248 6.1788 6.1788 6.1788 6.1788 6.4451 6.4451 6.4451 6.4451 6.8024 6.8024 6.8024 6.8024 6.8971 6.8971 6.8971 6.8971 6.9824 6.9824 6.9824 6.9824 7.1070 7.1070 7.1070 7.1070 7.1841 7.1841 7.1841 7.1841 7.3851 7.3851 7.3851 7.3851 7.4553 7.4553 7.4553 7.4553 7.8030 7.8030 7.8030 7.8030 8.3314 8.3314 8.3314 8.3314 8.6187 8.6187 8.6187 8.6187 9.0259 9.0259 k = 0.5000 0.5000-0.0000 ( 16404 PWs) bands (ev): 0.7023 0.7023 0.7023 0.7023 1.9716 1.9716 1.9716 1.9716 2.7254 2.7254 2.7254 2.7254 3.6497 3.6497 3.6497 3.6497 4.2645 4.2645 4.2645 4.2645 4.2776 4.2776 4.2776 4.2776 5.7693 5.7693 5.7693 5.7693 5.9862 5.9862 5.9862 5.9862 6.0250 6.0250 6.0250 6.0250 6.1798 6.1798 6.1798 6.1798 6.4418 6.4418 6.4418 6.4418 6.8041 6.8041 6.8041 6.8041 6.8977 6.8977 6.8977 6.8977 6.9798 6.9798 6.9798 6.9798 7.1148 7.1148 7.1148 7.1148 7.1807 7.1807 7.1807 7.1807 7.3851 7.3851 7.3851 7.3851 7.4544 7.4544 7.4544 7.4544 7.7991 7.7991 7.7991 7.7991 8.3331 8.3331 8.3331 8.3331 8.6191 8.6191 8.6191 8.6191 9.0229 9.0229 k = 0.5000 0.5000-0.0000 ( 16404 PWs) bands (ev): 0.7023 0.7023 0.7023 0.7023 1.9716 1.9716 1.9716 1.9716 2.7254 2.7254 2.7254 2.7254 3.6497 3.6497 3.6497 3.6497 4.2645 4.2645 4.2645 4.2645 4.2776 4.2776 4.2776 4.2776 5.7693 5.7693 5.7693 5.7693 5.9862 5.9862 5.9862 5.9862 6.0250 6.0250 6.0250 6.0250 6.1798 6.1798 6.1798 6.1798 6.4418 6.4418 6.4418 6.4418 6.8041 6.8041 6.8041 6.8041 6.8977 6.8977 6.8977 6.8977 6.9798 6.9798 6.9798 6.9798 7.1148 7.1148 7.1148 7.1148 7.1807 7.1807 7.1807 7.1807 7.3851 7.3851 7.3851 7.3851 7.4544 7.4544 7.4544 7.4544 7.7991 7.7991 7.7991 7.7991 8.3331 8.3331 8.3331 8.3331 8.6191 8.6191 8.6191 8.6191 9.0229 9.0229 k = 0.4833 0.4833-0.0000 ( 16408 PWs) bands (ev): 0.6977 0.6977 0.7035 0.7035 1.9727 1.9727 1.9772 1.9772 2.7239 2.7239 2.7252 2.7252 3.6509 3.6509 3.6515 3.6515 4.2338 4.2338 4.2655 4.2655 4.2790 4.2790 4.3051 4.3051 5.7644 5.7644 5.7680 5.7680 5.9805 5.9805 5.9911 5.9911 6.0224 6.0224 6.0272 6.0272 6.1722 6.1722 6.1853 6.1853 6.4421 6.4421 6.4478 6.4478 6.8015 6.8015 6.8033 6.8033 6.8952 6.8952 6.8988 6.8988 6.9819 6.9819 6.9829 6.9829 7.1007 7.1007 7.1146 7.1146 7.1780 7.1780 7.1892 7.1892 7.3836 7.3836 7.3866 7.3866 7.4538 7.4538 7.4567 7.4567 7.8005 7.8005 7.8053 7.8053 8.3301 8.3301 8.3328 8.3328 8.6168 8.6168 8.6206 8.6206 9.0255 9.0260 k = 0.4667 0.4667-0.0000 ( 16421 PWs) bands (ev): 0.6842 0.6842 0.7071 0.7071 1.9762 1.9762 1.9938 1.9938 2.7192 2.7192 2.7244 2.7244 3.6544 3.6544 3.6570 3.6570 4.1952 4.1952 4.2685 4.2685 4.2830 4.2830 4.3345 4.3345 5.7503 5.7503 5.7640 5.7640 5.9659 5.9659 6.0046 6.0046 6.0149 6.0149 6.0335 6.0335 6.1514 6.1514 6.1996 6.1996 6.4430 6.4430 6.4637 6.4637 6.7937 6.7937 6.8011 6.8011 6.8886 6.8886 6.9023 6.9023 6.9877 6.9877 6.9917 6.9917 7.0701 7.0701 7.1141 7.1141 7.1698 7.1698 7.2025 7.2025 7.3792 7.3792 7.3919 7.3919 7.4520 7.4520 7.4636 7.4636 7.8046 7.8046 7.8231 7.8231 8.3214 8.3214 8.3320 8.3320 8.6100 8.6100 8.6254 8.6254 9.0333 9.0334 k = 0.4500 0.4500-0.0000 ( 16445 PWs) bands (ev): 0.6626 0.6626 0.7130 0.7130 1.9819 1.9819 2.0205 2.0205 2.7115 2.7115 2.7231 2.7231 3.6603 3.6603 3.6660 3.6660 4.1548 4.1548 4.2736 4.2736 4.2898 4.2898 4.3595 4.3595 5.7281 5.7281 5.7572 5.7572 5.9482 5.9482 6.0024 6.0024 6.0242 6.0242 6.0441 6.0441 6.1218 6.1218 6.2186 6.2186 6.4446 6.4446 6.4854 6.4854 6.7807 6.7807 6.7977 6.7977 6.8794 6.8794 6.9082 6.9082 6.9962 6.9962 7.0045 7.0045 7.0333 7.0333 7.1131 7.1131 7.1562 7.1562 7.2105 7.2105 7.3732 7.3732 7.4023 7.4023 7.4493 7.4493 7.4756 7.4756 7.8112 7.8112 7.8509 7.8509 8.3075 8.3075 8.3307 8.3307 8.5992 8.5992 8.6332 8.6332 9.0451 9.0453 k = 0.4333 0.4333-0.0000 ( 16451 PWs) bands (ev): 0.6340 0.6340 0.7214 0.7214 1.9898 1.9898 2.0559 2.0559 2.7011 2.7011 2.7212 2.7212 3.6686 3.6686 3.6783 3.6783 4.1135 4.1135 4.2806 4.2806 4.2989 4.2989 4.3796 4.3796 5.6986 5.6986 5.7475 5.7475 5.9324 5.9324 5.9854 5.9854 6.0462 6.0462 6.0587 6.0587 6.0880 6.0880 6.2390 6.2390 6.4468 6.4468 6.5092 6.5092 6.7626 6.7626 6.7936 6.7936 6.8689 6.8689 6.9163 6.9163 6.9895 6.9895 7.0065 7.0065 7.0240 7.0240 7.1114 7.1114 7.1377 7.1377 7.2111 7.2111 7.3663 7.3663 7.4185 7.4185 7.4461 7.4461 7.4931 7.4931 7.8199 7.8199 7.8863 7.8863 8.2895 8.2895 8.3291 8.3291 8.5846 8.5846 8.6442 8.6442 9.0601 9.0602 k = 0.4167 0.4167-0.0000 ( 16433 PWs) bands (ev): 0.5998 0.5998 0.7320 0.7320 1.9999 1.9999 2.0986 2.0986 2.6882 2.6882 2.7189 2.7189 3.6791 3.6791 3.6938 3.6938 4.0723 4.0723 4.2895 4.2895 4.3102 4.3102 4.3945 4.3945 5.6625 5.6625 5.7348 5.7348 5.9219 5.9219 5.9641 5.9641 6.0449 6.0449 6.0709 6.0709 6.0819 6.0819 6.2593 6.2593 6.4497 6.4497 6.5326 6.5326 6.7396 6.7396 6.7893 6.7893 6.8579 6.8579 6.9256 6.9256 6.9469 6.9469 7.0174 7.0174 7.0441 7.0441 7.1084 7.1084 7.1151 7.1151 7.2061 7.2061 7.3594 7.3594 7.4392 7.4392 7.4431 7.4431 7.5162 7.5162 7.8304 7.8304 7.9275 7.9275 8.2684 8.2684 8.3274 8.3274 8.5670 8.5670 8.6584 8.6584 9.0764 9.0764 k = 0.4000 0.4000-0.0000 ( 16431 PWs) bands (ev): 0.5612 0.5612 0.7450 0.7450 2.0122 2.0122 2.1469 2.1469 2.6732 2.6732 2.7162 2.7162 3.6920 3.6920 3.7123 3.7123 4.0317 4.0317 4.3003 4.3003 4.3231 4.3231 4.4044 4.4044 5.6208 5.6208 5.7191 5.7191 5.9182 5.9182 5.9385 5.9385 6.0068 6.0068 6.0931 6.0931 6.1045 6.1045 6.2793 6.2793 6.4530 6.4530 6.5542 6.5542 6.7118 6.7118 6.7852 6.7852 6.8468 6.8468 6.8969 6.8969 6.9414 6.9414 7.0286 7.0286 7.0676 7.0676 7.0893 7.0893 7.1040 7.1040 7.1984 7.1984 7.3530 7.3530 7.4398 7.4398 7.4637 7.4637 7.5445 7.5445 7.8422 7.8422 7.9727 7.9727 8.2452 8.2452 8.3257 8.3257 8.5469 8.5469 8.6755 8.6755 9.0918 9.0918 k = 0.3833 0.3833-0.0000 ( 16431 PWs) bands (ev): 0.5194 0.5194 0.7602 0.7602 2.0265 2.0265 2.1992 2.1992 2.6562 2.6562 2.7130 2.7130 3.7072 3.7072 3.7335 3.7335 3.9928 3.9928 4.3129 4.3129 4.3361 4.3361 4.4102 4.4102 5.5749 5.5749 5.7003 5.7003 5.9090 5.9090 5.9213 5.9213 5.9668 5.9668 6.1174 6.1174 6.1276 6.1276 6.2990 6.2990 6.4568 6.4568 6.5728 6.5728 6.6795 6.6795 6.7813 6.7813 6.8356 6.8356 6.8485 6.8485 6.9553 6.9553 7.0387 7.0387 7.0639 7.0639 7.0933 7.0933 7.0975 7.0975 7.1905 7.1905 7.3476 7.3476 7.4377 7.4377 7.4893 7.4893 7.5777 7.5777 7.8552 7.8552 8.0204 8.0204 8.2208 8.2208 8.3242 8.3242 8.5249 8.5249 8.6957 8.6957 9.1032 9.1032 k = 0.3667 0.3667-0.0000 ( 16403 PWs) bands (ev): 0.4755 0.4755 0.7775 0.7775 2.0428 2.0428 2.2541 2.2541 2.6378 2.6378 2.7094 2.7094 3.7246 3.7246 3.7572 3.7572 3.9562 3.9562 4.3271 4.3271 4.3466 4.3466 4.4147 4.4147 5.5265 5.5265 5.6785 5.6785 5.8759 5.8759 5.9254 5.9254 5.9312 5.9312 6.1420 6.1420 6.1505 6.1505 6.3193 6.3193 6.4607 6.4607 6.5879 6.5879 6.6432 6.6432 6.7760 6.7760 6.7989 6.7989 6.8259 6.8259 6.9706 6.9706 7.0300 7.0300 7.0579 7.0579 7.0868 7.0868 7.1230 7.1230 7.1845 7.1845 7.3436 7.3436 7.4371 7.4371 7.5154 7.5154 7.6147 7.6147 7.8690 7.8690 8.0696 8.0696 8.1960 8.1960 8.3230 8.3230 8.5015 8.5015 8.7188 8.7188 9.1073 9.1073 k = 0.3500 0.3500-0.0000 ( 16391 PWs) bands (ev): 0.4302 0.4302 0.7970 0.7970 2.0610 2.0610 2.3100 2.3100 2.6181 2.6181 2.7055 2.7055 3.7442 3.7442 3.7831 3.7831 3.9229 3.9229 4.3429 4.3429 4.3497 4.3497 4.4228 4.4228 5.4768 5.4768 5.6541 5.6541 5.8395 5.8395 5.8858 5.8858 5.9436 5.9436 6.1614 6.1614 6.1772 6.1772 6.3406 6.3406 6.4643 6.4643 6.5963 6.5963 6.6061 6.6061 6.7404 6.7404 6.7795 6.7795 6.8159 6.8159 6.9843 6.9843 7.0078 7.0078 7.0683 7.0683 7.0760 7.0760 7.1540 7.1540 7.1811 7.1811 7.3415 7.3415 7.4382 7.4382 7.5410 7.5410 7.6548 7.6548 7.8836 7.8836 8.1189 8.1189 8.1718 8.1718 8.3221 8.3221 8.4772 8.4772 8.7448 8.7448 9.1009 9.1009 k = 0.3333 0.3333-0.0000 ( 16375 PWs) bands (ev): 0.3844 0.3844 0.8185 0.8185 2.0810 2.0810 2.3653 2.3653 2.5976 2.5976 2.7013 2.7013 3.7660 3.7660 3.8111 3.8111 3.8939 3.8939 4.3424 4.3424 4.3601 4.3601 4.4377 4.4377 5.4274 5.4274 5.6272 5.6272 5.8000 5.8000 5.8455 5.8455 5.9590 5.9590 6.1759 6.1759 6.2073 6.2073 6.3632 6.3632 6.4670 6.4670 6.5583 6.5583 6.6084 6.6084 6.6874 6.6874 6.7774 6.7774 6.8070 6.8070 6.9780 6.9780 7.0068 7.0068 7.0574 7.0574 7.0874 7.0874 7.1790 7.1790 7.1886 7.1886 7.3415 7.3415 7.4416 7.4416 7.5656 7.5656 7.6968 7.6968 7.8989 7.8989 8.1451 8.1451 8.1709 8.1709 8.3214 8.3214 8.4523 8.4523 8.7733 8.7733 9.0821 9.0821 k = 0.3167 0.3167-0.0000 ( 16371 PWs) bands (ev): 0.3387 0.3387 0.8419 0.8419 2.1026 2.1026 2.4187 2.4187 2.5765 2.5765 2.6968 2.6968 3.7899 3.7899 3.8409 3.8409 3.8704 3.8704 4.3261 4.3261 4.3786 4.3786 4.4580 4.4580 5.3794 5.3794 5.5982 5.5982 5.7578 5.7578 5.8054 5.8054 5.9742 5.9742 6.1883 6.1883 6.2382 6.2382 6.3865 6.3865 6.4674 6.4674 6.5126 6.5126 6.6130 6.6130 6.6339 6.6339 6.7765 6.7765 6.7996 6.7996 6.9604 6.9604 7.0192 7.0192 7.0403 7.0403 7.1066 7.1066 7.1810 7.1810 7.2233 7.2233 7.3439 7.3439 7.4475 7.4475 7.5889 7.5889 7.7391 7.7391 7.9153 7.9153 8.1234 8.1234 8.2177 8.2177 8.3207 8.3207 8.4272 8.4272 8.8042 8.8042 9.0522 9.0522 k = 0.3000 0.3000-0.0000 ( 16401 PWs) bands (ev): 0.2936 0.2936 0.8671 0.8671 2.1257 2.1257 2.4685 2.4685 2.5551 2.5551 2.6922 2.6922 3.8159 3.8159 3.8525 3.8525 3.8731 3.8731 4.3036 4.3036 4.3981 4.3981 4.4813 4.4813 5.3337 5.3337 5.5674 5.5674 5.7131 5.7131 5.7658 5.7658 5.9861 5.9861 6.2007 6.2007 6.2682 6.2682 6.4084 6.4084 6.4611 6.4611 6.4691 6.4691 6.5820 6.5820 6.6163 6.6163 6.7749 6.7749 6.7954 6.7954 6.9467 6.9467 7.0198 7.0198 7.0323 7.0323 7.1296 7.1296 7.1842 7.1842 7.2606 7.2606 7.3485 7.3485 7.4564 7.4564 7.6103 7.6103 7.7800 7.7800 7.9335 7.9335 8.1018 8.1018 8.2634 8.2634 8.3200 8.3200 8.4022 8.4022 8.8366 8.8366 9.0144 9.0145 k = 0.2833 0.2833-0.0000 ( 16395 PWs) bands (ev): 0.2494 0.2494 0.8940 0.8940 2.1501 2.1501 2.5134 2.5134 2.5337 2.5337 2.6873 2.6873 3.8430 3.8430 3.8440 3.8440 3.9060 3.9060 4.2764 4.2764 4.4186 4.4186 4.5060 4.5060 5.2914 5.2914 5.5348 5.5348 5.6662 5.6662 5.7272 5.7272 5.9920 5.9920 6.2145 6.2145 6.2927 6.2927 6.4180 6.4180 6.4264 6.4264 6.4583 6.4583 6.5388 6.5388 6.6190 6.6190 6.7708 6.7708 6.7964 6.7964 6.9383 6.9383 7.0002 7.0002 7.0412 7.0412 7.1565 7.1565 7.1888 7.1888 7.2998 7.2998 7.3555 7.3555 7.4684 7.4684 7.6297 7.6297 7.8169 7.8169 7.9548 7.9548 8.0816 8.0816 8.3051 8.3051 8.3194 8.3194 8.3777 8.3777 8.8681 8.8681 8.9732 8.9733 k = 0.2667 0.2667-0.0000 ( 16397 PWs) bands (ev): 0.2066 0.2066 0.9224 0.9224 2.1756 2.1756 2.5123 2.5123 2.5521 2.5521 2.6824 2.6824 3.8421 3.8421 3.8739 3.8739 3.9404 3.9404 4.2459 4.2459 4.4397 4.4397 4.5308 4.5308 5.2534 5.2534 5.5004 5.5004 5.6175 5.6175 5.6906 5.6906 5.9901 5.9901 6.2283 6.2283 6.2976 6.2976 6.3923 6.3923 6.4227 6.4227 6.4441 6.4441 6.5195 6.5195 6.6231 6.6231 6.7648 6.7648 6.8022 6.8022 6.9355 6.9355 6.9793 6.9793 7.0486 7.0486 7.1864 7.1864 7.1951 7.1951 7.3407 7.3407 7.3647 7.3647 7.4836 7.4836 7.6467 7.6467 7.8472 7.8472 7.9805 7.9805 8.0630 8.0630 8.3153 8.3153 8.3436 8.3436 8.3548 8.3548 8.8857 8.8857 8.9344 8.9345 k = 0.2500 0.2500-0.0000 ( 16403 PWs) bands (ev): 0.1653 0.1653 0.9521 0.9521 2.2020 2.2020 2.4914 2.4914 2.5833 2.5833 2.6775 2.6775 3.8506 3.8506 3.9057 3.9057 3.9759 3.9759 4.2130 4.2130 4.4612 4.4612 4.5547 4.5547 5.2206 5.2206 5.4638 5.4638 5.5671 5.5671 5.6569 5.6569 5.9800 5.9800 6.2352 6.2352 6.2673 6.2673 6.3946 6.3946 6.4059 6.4059 6.4239 6.4239 6.5295 6.5295 6.6291 6.6291 6.7583 6.7583 6.8117 6.8117 6.9379 6.9379 6.9579 6.9579 7.0545 7.0545 7.2003 7.2003 7.2214 7.2214 7.3741 7.3741 7.3849 7.3849 7.5021 7.5021 7.6613 7.6613 7.8691 7.8691 8.0110 8.0110 8.0462 8.0462 8.3112 8.3112 8.3307 8.3307 8.3755 8.3755 8.8618 8.8618 8.8952 8.8952 k = 0.2333 0.2333-0.0000 ( 16403 PWs) bands (ev): 0.1259 0.1259 0.9830 0.9830 2.2291 2.2291 2.4711 2.4711 2.6065 2.6065 2.6726 2.6726 3.8690 3.8690 3.9392 3.9392 4.0124 4.0124 4.1786 4.1786 4.4829 4.4829 4.5766 4.5766 5.1936 5.1936 5.4248 5.4248 5.5154 5.5154 5.6274 5.6274 5.9623 5.9623 6.2128 6.2128 6.2310 6.2310 6.3890 6.3890 6.3947 6.3947 6.4254 6.4254 6.5517 6.5517 6.6369 6.6369 6.7519 6.7519 6.8242 6.8242 6.9360 6.9360 6.9457 6.9457 7.0591 7.0591 7.2076 7.2076 7.2577 7.2577 7.3872 7.3872 7.4287 7.4287 7.5240 7.5240 7.6731 7.6731 7.8829 7.8829 8.0312 8.0312 8.0449 8.0449 8.3012 8.3012 8.3135 8.3135 8.3958 8.3958 8.8217 8.8217 8.8586 8.8586 k = 0.2167 0.2167-0.0000 ( 16403 PWs) bands (ev): 0.0886 0.0886 1.0147 1.0147 2.2566 2.2566 2.4515 2.4515 2.6214 2.6214 2.6677 2.6677 3.8974 3.8974 3.9743 3.9743 4.0494 4.0494 4.1435 4.1435 4.5045 4.5045 4.5955 4.5955 5.1731 5.1731 5.3833 5.3833 5.4626 5.4626 5.6030 5.6030 5.9376 5.9376 6.1599 6.1599 6.2002 6.2002 6.3586 6.3586 6.4062 6.4062 6.4469 6.4469 6.5776 6.5776 6.6459 6.6459 6.7457 6.7457 6.8390 6.8390 6.9152 6.9152 6.9578 6.9578 7.0626 7.0626 7.2152 7.2152 7.2969 7.2969 7.4009 7.4009 7.4747 7.4747 7.5491 7.5491 7.6823 7.6823 7.8896 7.8896 8.0183 8.0183 8.0794 8.0794 8.2825 8.2825 8.3040 8.3040 8.4028 8.4028 8.7817 8.7817 8.8316 8.8316 k = 0.2000 0.2000-0.0000 ( 16419 PWs) bands (ev): 0.0535 0.0535 1.0471 1.0471 2.2842 2.2842 2.4328 2.4328 2.6285 2.6285 2.6629 2.6629 3.9352 3.9352 4.0109 4.0109 4.0847 4.0847 4.1106 4.1106 4.5257 4.5257 4.6106 4.6106 5.1593 5.1593 5.3396 5.3396 5.4091 5.4091 5.5843 5.5843 5.9065 5.9065 6.1035 6.1035 6.1612 6.1612 6.3234 6.3234 6.4291 6.4291 6.4693 6.4693 6.6050 6.6050 6.6554 6.6554 6.7399 6.7399 6.8534 6.8534 6.8976 6.8976 6.9747 6.9747 7.0654 7.0654 7.2232 7.2232 7.3384 7.3384 7.4151 7.4151 7.5221 7.5221 7.5773 7.5773 7.6889 7.6889 7.8901 7.8901 8.0074 8.0074 8.1123 8.1123 8.2624 8.2624 8.2951 8.2951 8.3941 8.3941 8.7451 8.7451 8.8171 8.8171 k = 0.1833 0.1833-0.0000 ( 16407 PWs) bands (ev): 0.0207 0.0207 1.0798 1.0798 2.3116 2.3116 2.4151 2.4151 2.6284 2.6284 2.6584 2.6584 3.9815 3.9815 4.0482 4.0482 4.0720 4.0720 4.1275 4.1275 4.5463 4.5463 4.6215 4.6215 5.1517 5.1517 5.2944 5.2944 5.3551 5.3551 5.5717 5.5717 5.8698 5.8698 6.0467 6.0467 6.1207 6.1207 6.2850 6.2850 6.4550 6.4550 6.4914 6.4914 6.6327 6.6327 6.6649 6.6649 6.7346 6.7346 6.8553 6.8553 6.8951 6.8951 6.9960 6.9960 7.0675 7.0675 7.2317 7.2317 7.3821 7.3821 7.4297 7.4297 7.5708 7.5708 7.6085 7.6085 7.6930 7.6930 7.8847 7.8847 7.9985 7.9985 8.1417 8.1417 8.2431 8.2431 8.2848 8.2848 8.3707 8.3707 8.7137 8.7137 8.8103 8.8104 k = 0.1667 0.1667-0.0000 ( 16411 PWs) bands (ev): -0.0095 -0.0095 1.1124 1.1124 2.3385 2.3385 2.3986 2.3986 2.6222 2.6222 2.6541 2.6541 4.0279 4.0279 4.0448 4.0448 4.0889 4.0889 4.1647 4.1647 4.5661 4.5661 4.6283 4.6283 5.1491 5.1491 5.2484 5.2484 5.3009 5.3009 5.5649 5.5649 5.8287 5.8287 5.9904 5.9904 6.0821 6.0821 6.2443 6.2443 6.4782 6.4782 6.5148 6.5148 6.6599 6.6599 6.6738 6.6738 6.7296 6.7296 6.8410 6.8410 6.9117 6.9117 7.0215 7.0215 7.0692 7.0692 7.2408 7.2408 7.4263 7.4263 7.4455 7.4455 7.6202 7.6202 7.6425 7.6425 7.6953 7.6953 7.8736 7.8736 7.9916 7.9916 8.1665 8.1665 8.2249 8.2249 8.2730 8.2730 8.3359 8.3359 8.6887 8.6887 8.7501 8.7501 k = 0.1500 0.1500-0.0000 ( 16407 PWs) bands (ev): -0.0372 -0.0372 1.1446 1.1446 2.3645 2.3645 2.3834 2.3834 2.6113 2.6113 2.6500 2.6500 4.0035 4.0035 4.0975 4.0975 4.1287 4.1287 4.2020 4.2020 4.5847 4.5847 4.6315 4.6315 5.1494 5.1494 5.2027 5.2027 5.2469 5.2469 5.5641 5.5641 5.7854 5.7854 5.9355 5.9355 6.0466 6.0466 6.2019 6.2019 6.4960 6.4960 6.5402 6.5402 6.6810 6.6810 6.6862 6.6862 6.7252 6.7252 6.8243 6.8243 6.9334 6.9334 7.0508 7.0508 7.0707 7.0707 7.2506 7.2506 7.4530 7.4530 7.4799 7.4799 7.6678 7.6678 7.6793 7.6793 7.6976 7.6976 7.8570 7.8570 7.9868 7.9868 8.1861 8.1861 8.2079 8.2079 8.2601 8.2601 8.2944 8.2944 8.6702 8.6702 8.6792 8.6792 k = 0.1333 0.1333-0.0000 ( 16389 PWs) bands (ev): -0.0621 -0.0621 1.1758 1.1758 2.3693 2.3693 2.3894 2.3894 2.5968 2.5968 2.6463 2.6463 3.9737 3.9737 4.1620 4.1620 4.1694 4.1694 4.2385 4.2385 4.6015 4.6015 4.6325 4.6325 5.1494 5.1494 5.1583 5.1583 5.1936 5.1936 5.5689 5.5689 5.7426 5.7426 5.8829 5.8829 6.0144 6.0144 6.1583 6.1583 6.5090 6.5090 6.5662 6.5662 6.6884 6.6884 6.7071 6.7071 6.7212 6.7212 6.8109 6.8109 6.9561 6.9561 7.0716 7.0716 7.0840 7.0840 7.2615 7.2615 7.4652 7.4652 7.5291 7.5291 7.6897 7.6897 7.7138 7.7138 7.7276 7.7276 7.8361 7.8361 7.9841 7.9841 8.1922 8.1922 8.2004 8.2004 8.2448 8.2448 8.2515 8.2515 8.6074 8.6074 8.6551 8.6551 k = 0.1167 0.1167-0.0000 ( 16381 PWs) bands (ev): -0.0843 -0.0843 1.2055 1.2055 2.3569 2.3569 2.4124 2.4124 2.5803 2.5803 2.6429 2.6429 3.9462 3.9462 4.2097 4.2097 4.2307 4.2307 4.2735 4.2735 4.6147 4.6147 4.6342 4.6342 5.1151 5.1151 5.1408 5.1408 5.1469 5.1469 5.5789 5.5789 5.7039 5.7039 5.8332 5.8332 5.9850 5.9850 6.1139 6.1139 6.5187 6.5187 6.5910 6.5910 6.6942 6.6942 6.7170 6.7170 6.7210 6.7210 6.8052 6.8052 6.9780 6.9780 7.0730 7.0730 7.1198 7.1198 7.2735 7.2735 7.4743 7.4743 7.5812 7.5812 7.6887 7.6887 7.7469 7.7469 7.7755 7.7755 7.8164 7.8164 7.9835 7.9835 8.1775 8.1775 8.2041 8.2041 8.2103 8.2103 8.2337 8.2337 8.5361 8.5361 8.6247 8.6247 k = 0.1000 0.1000-0.0000 ( 16355 PWs) bands (ev): -0.1036 -0.1036 1.2332 1.2332 2.3460 2.3460 2.4334 2.4334 2.5628 2.5628 2.6398 2.6398 3.9215 3.9215 4.2498 4.2498 4.2997 4.2997 4.3077 4.3077 4.6197 4.6197 4.6425 4.6425 5.0749 5.0749 5.0910 5.0910 5.1355 5.1355 5.5940 5.5940 5.6726 5.6726 5.7875 5.7875 5.9581 5.9581 6.0692 6.0692 6.5260 6.5260 6.6134 6.6134 6.6986 6.6986 6.7144 6.7144 6.7232 6.7232 6.8097 6.8097 6.9980 6.9980 7.0745 7.0745 7.1582 7.1582 7.2869 7.2869 7.4810 7.4810 7.6352 7.6352 7.6855 7.6855 7.7502 7.7502 7.8173 7.8173 7.8291 7.8291 7.9849 7.9849 8.1609 8.1609 8.1644 8.1644 8.2164 8.2164 8.2209 8.2209 8.4658 8.4658 8.5696 8.5696 k = 0.0833 0.0833-0.0000 ( 16369 PWs) bands (ev): -0.1201 -0.1201 1.2582 1.2582 2.3366 2.3366 2.4519 2.4519 2.5456 2.5456 2.6372 2.6372 3.9000 3.9000 4.2884 4.2884 4.3362 4.3362 4.3716 4.3716 4.6198 4.6198 4.6551 4.6551 5.0374 5.0374 5.0441 5.0441 5.1143 5.1143 5.6134 5.6134 5.6510 5.6510 5.7464 5.7464 5.9334 5.9334 6.0249 6.0249 6.5315 6.5315 6.6326 6.6326 6.7009 6.7009 6.7120 6.7120 6.7195 6.7195 6.8208 6.8208 7.0152 7.0152 7.0765 7.0765 7.1984 7.1984 7.3015 7.3015 7.4853 7.4853 7.6806 7.6806 7.6911 7.6911 7.7216 7.7216 7.8559 7.8559 7.8712 7.8712 7.9884 7.9884 8.1224 8.1224 8.1507 8.1507 8.2094 8.2094 8.2206 8.2206 8.3977 8.3977 8.5101 8.5101 k = 0.0667 0.0667-0.0000 ( 16379 PWs) bands (ev): -0.1336 -0.1336 1.2799 1.2799 2.3289 2.3289 2.4677 2.4677 2.5297 2.5297 2.6351 2.6351 3.8821 3.8821 4.3242 4.3242 4.3632 4.3632 4.4386 4.4386 4.6211 4.6211 4.6681 4.6681 4.9981 4.9981 5.0073 5.0073 5.0824 5.0824 5.6363 5.6363 5.6395 5.6395 5.7111 5.7111 5.9111 5.9111 5.9815 5.9815 6.5356 6.5356 6.6473 6.6473 6.7002 6.7002 6.7100 6.7100 6.7171 6.7171 6.8330 6.8330 7.0288 7.0288 7.0792 7.0792 7.2394 7.2394 7.3168 7.3168 7.4876 7.4876 7.6755 7.6755 7.6838 7.6838 7.7487 7.7487 7.8981 7.8981 7.9093 7.9093 7.9942 7.9942 8.0892 8.0892 8.1367 8.1367 8.2011 8.2011 8.2227 8.2227 8.3336 8.3336 8.4520 8.4520 k = 0.0500 0.0500-0.0000 ( 16401 PWs) bands (ev): -0.1442 -0.1442 1.2976 1.2976 2.3229 2.3229 2.4803 2.4803 2.5163 2.5163 2.6334 2.6334 3.8680 3.8680 4.3551 4.3551 4.3863 4.3863 4.4968 4.4968 4.6282 4.6282 4.6806 4.6806 4.9602 4.9602 4.9798 4.9798 5.0417 5.0417 5.6362 5.6362 5.6618 5.6618 5.6826 5.6826 5.8917 5.8917 5.9402 5.9402 6.5386 6.5386 6.6563 6.6563 6.6983 6.6983 6.7084 6.7084 6.7181 6.7181 6.8432 6.8432 7.0384 7.0384 7.0825 7.0825 7.2798 7.2798 7.3317 7.3317 7.4883 7.4883 7.6446 7.6446 7.6701 7.6701 7.8066 7.8066 7.9363 7.9363 7.9416 7.9416 8.0022 8.0022 8.0631 8.0631 8.1192 8.1192 8.1962 8.1962 8.2240 8.2240 8.2772 8.2772 8.3976 8.3976 k = 0.0333 0.0333-0.0000 ( 16401 PWs) bands (ev): -0.1517 -0.1517 1.3107 1.3107 2.3185 2.3185 2.4893 2.4893 2.5062 2.5062 2.6321 2.6321 3.8577 3.8577 4.3787 4.3787 4.4051 4.4051 4.5366 4.5366 4.6460 4.6460 4.6932 4.6932 4.9299 4.9299 4.9587 4.9587 4.9975 4.9975 5.6380 5.6380 5.6606 5.6606 5.6885 5.6885 5.8761 5.8761 5.9030 5.9030 6.5406 6.5406 6.6594 6.6594 6.6981 6.6981 6.7076 6.7076 6.7204 6.7204 6.8506 6.8506 7.0444 7.0444 7.0860 7.0860 7.3169 7.3169 7.3447 7.3447 7.4882 7.4882 7.6081 7.6081 7.6643 7.6643 7.8646 7.8646 7.9556 7.9556 7.9771 7.9771 8.0103 8.0103 8.0460 8.0460 8.0937 8.0937 8.1944 8.1944 8.2246 8.2246 8.2351 8.2351 8.3504 8.3504 k = 0.0167 0.0167-0.0000 ( 16381 PWs) bands (ev): -0.1563 -0.1563 1.3188 1.3188 2.3159 2.3159 2.4943 2.4943 2.5004 2.5004 2.6314 2.6314 3.8515 3.8515 4.3930 4.3930 4.4182 4.4182 4.5545 4.5545 4.6670 4.6670 4.7085 4.7085 4.9100 4.9100 4.9442 4.9442 4.9599 4.9599 5.6410 5.6410 5.6477 5.6477 5.7105 5.7105 5.8658 5.8658 5.8742 5.8742 6.5418 6.5418 6.6595 6.6595 6.6989 6.6989 6.7073 6.7073 6.7225 6.7225 6.8550 6.8550 7.0475 7.0475 7.0886 7.0886 7.3454 7.3454 7.3538 7.3538 7.4877 7.4877 7.5796 7.5796 7.6600 7.6600 7.9198 7.9198 7.9651 7.9651 7.9998 7.9998 8.0122 8.0122 8.0409 8.0409 8.0612 8.0612 8.1926 8.1926 8.2134 8.2134 8.2250 8.2250 8.3159 8.3159 k = 0.0000 0.0000 0.0000 ( 16393 PWs) bands (ev): -0.1578 -0.1578 1.3215 1.3215 2.3150 2.3150 2.4949 2.4949 2.4995 2.4995 2.6311 2.6311 3.8495 3.8495 4.3976 4.3976 4.4231 4.4231 4.5590 4.5590 4.6746 4.6746 4.7184 4.7184 4.9030 4.9030 4.9356 4.9356 4.9470 4.9470 5.6424 5.6424 5.6432 5.6432 5.7201 5.7201 5.8614 5.8614 5.8632 5.8632 6.5422 6.5422 6.6592 6.6592 6.6993 6.6993 6.7072 6.7072 6.7233 6.7233 6.8564 6.8564 7.0484 7.0484 7.0896 7.0896 7.3558 7.3558 7.3580 7.3580 7.4875 7.4875 7.5682 7.5682 7.6583 7.6583 7.9541 7.9541 7.9679 7.9679 8.0016 8.0016 8.0052 8.0052 8.0415 8.0415 8.0465 8.0465 8.1906 8.1906 8.2089 8.2089 8.2251 8.2251 8.3028 8.3028 k = 0.0000 0.0000 0.0000 ( 16393 PWs) bands (ev): -0.1578 -0.1578 1.3215 1.3215 2.3150 2.3150 2.4949 2.4949 2.4995 2.4995 2.6311 2.6311 3.8495 3.8495 4.3976 4.3976 4.4231 4.4231 4.5590 4.5590 4.6746 4.6746 4.7184 4.7184 4.9030 4.9030 4.9356 4.9356 4.9470 4.9470 5.6424 5.6424 5.6432 5.6432 5.7201 5.7201 5.8614 5.8614 5.8632 5.8632 6.5422 6.5422 6.6592 6.6592 6.6993 6.6993 6.7072 6.7072 6.7233 6.7233 6.8564 6.8564 7.0484 7.0484 7.0896 7.0896 7.3558 7.3558 7.3580 7.3580 7.4875 7.4875 7.5682 7.5682 7.6583 7.6583 7.9541 7.9541 7.9679 7.9679 8.0016 8.0016 8.0052 8.0052 8.0415 8.0415 8.0465 8.0465 8.1906 8.1906 8.2089 8.2089 8.2251 8.2251 8.3028 8.3028 k = 0.0000 0.0000 0.0237 ( 16373 PWs) bands (ev): -0.1562 -0.1562 1.3211 1.3211 2.3140 2.3140 2.4960 2.4960 2.5005 2.5005 2.6230 2.6230 3.8589 3.8589 4.3916 4.3916 4.4164 4.4164 4.5612 4.5612 4.6758 4.6758 4.7198 4.7198 4.9032 4.9032 4.9428 4.9428 4.9535 4.9535 5.6427 5.6427 5.6438 5.6438 5.7216 5.7216 5.8610 5.8610 5.8628 5.8628 6.5341 6.5341 6.6629 6.6629 6.7002 6.7002 6.7079 6.7079 6.7239 6.7239 6.8585 6.8585 7.0487 7.0487 7.0896 7.0896 7.3548 7.3548 7.3569 7.3569 7.4855 7.4855 7.5647 7.5647 7.6563 7.6563 7.9454 7.9454 7.9645 7.9645 7.9971 7.9971 8.0108 8.0108 8.0364 8.0364 8.0523 8.0523 8.1896 8.1896 8.2084 8.2084 8.2226 8.2226 8.3147 8.3147 k = 0.0000 0.0000 0.0474 ( 16397 PWs) bands (ev): -0.1515 -0.1515 1.3198 1.3198 2.3110 2.3110 2.4992 2.4992 2.5037 2.5037 2.5993 2.5993 3.8865 3.8865 4.3741 4.3741 4.3974 4.3974 4.5678 4.5678 4.6794 4.6794 4.7240 4.7240 4.9035 4.9035 4.9631 4.9631 4.9723 4.9723 5.6412 5.6412 5.6480 5.6480 5.7260 5.7260 5.8598 5.8598 5.8618 5.8618 6.5123 6.5123 6.6715 6.6715 6.7030 6.7030 6.7100 6.7100 6.7256 6.7256 6.8645 6.8645 7.0494 7.0494 7.0898 7.0898 7.3516 7.3516 7.3537 7.3537 7.4796 7.4796 7.5544 7.5544 7.6503 7.6503 7.9220 7.9220 7.9543 7.9543 7.9920 7.9920 8.0189 8.0189 8.0302 8.0302 8.0605 8.0605 8.1869 8.1869 8.2070 8.2070 8.2153 8.2153 8.3473 8.3473 k = 0.0000 0.0000 0.0711 ( 16393 PWs) bands (ev): -0.1435 -0.1435 1.3175 1.3175 2.3061 2.3061 2.5045 2.5045 2.5087 2.5087 2.5626 2.5626 3.9297 3.9297 4.3474 4.3474 4.3686 4.3686 4.5790 4.5790 4.6852 4.6852 4.7311 4.7311 4.9041 4.9041 4.9942 4.9942 5.0013 5.0013 5.6387 5.6387 5.6548 5.6548 5.7334 5.7334 5.8578 5.8578 5.8601 5.8601 6.4811 6.4811 6.6812 6.6812 6.7075 6.7075 6.7133 6.7133 6.7283 6.7283 6.8746 6.8746 7.0506 7.0506 7.0902 7.0902 7.3465 7.3465 7.3483 7.3483 7.4698 7.4698 7.5379 7.5379 7.6406 7.6406 7.8897 7.8897 7.9376 7.9376 7.9873 7.9873 8.0240 8.0240 8.0280 8.0280 8.0689 8.0689 8.1829 8.1829 8.2033 8.2033 8.2057 8.2057 8.3945 8.3945 k = 0.0000 0.0000 0.0948 ( 16417 PWs) bands (ev): -0.1325 -0.1325 1.3140 1.3140 2.2992 2.2992 2.5112 2.5112 2.5118 2.5118 2.5205 2.5205 3.9855 3.9855 4.3138 4.3138 4.3327 4.3327 4.5948 4.5948 4.6929 4.6929 4.7412 4.7412 4.9049 4.9049 5.0333 5.0333 5.0381 5.0381 5.6352 5.6352 5.6642 5.6642 5.7437 5.7437 5.8552 5.8552 5.8577 5.8577 6.4430 6.4430 6.6903 6.6903 6.7130 6.7130 6.7178 6.7178 6.7321 6.7321 6.8886 6.8886 7.0523 7.0523 7.0907 7.0907 7.3393 7.3393 7.3410 7.3410 7.4562 7.4562 7.5162 7.5162 7.6276 7.6276 7.8532 7.8532 7.9150 7.9150 7.9824 7.9824 8.0172 8.0172 8.0377 8.0377 8.0772 8.0772 8.1784 8.1784 8.1872 8.1872 8.2054 8.2054 8.4515 8.4515 k = 0.0000 0.0000 0.1185 ( 16429 PWs) bands (ev): -0.1183 -0.1183 1.3090 1.3090 2.2906 2.2906 2.4609 2.4609 2.5212 2.5212 2.5261 2.5261 4.0506 4.0506 4.2753 4.2753 4.2920 4.2920 4.6157 4.6157 4.7022 4.7022 4.7545 4.7545 4.9059 4.9059 5.0779 5.0779 5.0806 5.0806 5.6307 5.6307 5.6760 5.6760 5.7569 5.7569 5.8519 5.8519 5.8547 5.8547 6.3995 6.3995 6.6986 6.6986 6.7190 6.7190 6.7230 6.7230 6.7368 6.7368 6.9063 6.9063 7.0545 7.0545 7.0914 7.0914 7.3304 7.3304 7.3318 7.3318 7.4389 7.4389 7.4905 7.4905 7.6116 7.6116 7.8149 7.8149 7.8873 7.8873 7.9765 7.9765 8.0089 8.0089 8.0471 8.0471 8.0847 8.0847 8.1645 8.1645 8.1779 8.1779 8.2080 8.2080 8.5146 8.5146 k = 0.0000 0.0000 0.1422 ( 16406 PWs) bands (ev): -0.1010 -0.1010 1.3021 1.3021 2.2802 2.2802 2.4030 2.4030 2.5325 2.5325 2.5372 2.5372 4.1217 4.1217 4.2337 4.2337 4.2482 4.2482 4.6421 4.6421 4.7129 4.7129 4.7710 4.7710 4.9071 4.9071 5.1264 5.1264 5.1272 5.1272 5.6253 5.6253 5.6897 5.6897 5.7728 5.7728 5.8480 5.8480 5.8513 5.8513 6.3513 6.3513 6.7066 6.7066 6.7250 6.7250 6.7283 6.7283 6.7422 6.7422 6.9277 6.9277 7.0573 7.0573 7.0924 7.0924 7.3198 7.3198 7.3209 7.3209 7.4183 7.4183 7.4622 7.4622 7.5933 7.5933 7.7764 7.7764 7.8550 7.8550 7.9686 7.9686 7.9981 7.9981 8.0552 8.0552 8.0906 8.0906 8.1398 8.1398 8.1791 8.1791 8.2150 8.2150 8.5641 8.5641 k = 0.0000 0.0000 0.1659 ( 16402 PWs) bands (ev): -0.0806 -0.0806 1.2928 1.2928 2.2683 2.2683 2.3432 2.3432 2.5457 2.5457 2.5502 2.5502 4.1845 4.1845 4.2020 4.2020 4.2025 4.2025 4.6746 4.6746 4.7246 4.7246 4.7907 4.7907 4.9086 4.9086 5.1766 5.1766 5.1775 5.1775 5.6191 5.6191 5.7052 5.7052 5.7915 5.7915 5.8437 5.8437 5.8474 5.8474 6.2994 6.2994 6.7147 6.7147 6.7307 6.7307 6.7330 6.7330 6.7482 6.7482 6.9525 6.9525 7.0606 7.0606 7.0936 7.0936 7.3077 7.3077 7.3085 7.3085 7.3944 7.3944 7.4327 7.4327 7.5730 7.5730 7.7384 7.7384 7.8192 7.8192 7.9576 7.9576 7.9840 7.9840 8.0613 8.0613 8.0951 8.0951 8.1113 8.1113 8.1864 8.1864 8.2275 8.2275 8.5215 8.5215 k = 0.0000 0.0000 0.1896 ( 16394 PWs) bands (ev): -0.0572 -0.0572 1.2806 1.2806 2.2549 2.2549 2.2839 2.2839 2.5606 2.5606 2.5649 2.5649 4.1436 4.1436 4.1559 4.1559 4.2737 4.2737 4.7138 4.7138 4.7372 4.7372 4.8133 4.8133 4.9102 4.9102 5.2278 5.2278 5.2302 5.2302 5.6119 5.6119 5.7218 5.7218 5.8128 5.8128 5.8390 5.8390 5.8431 5.8431 6.2442 6.2442 6.7229 6.7229 6.7356 6.7356 6.7369 6.7369 6.7546 6.7546 6.9806 6.9806 7.0644 7.0644 7.0951 7.0951 7.2946 7.2946 7.2950 7.2950 7.3676 7.3676 7.4035 7.4035 7.5510 7.5510 7.7015 7.7015 7.7804 7.7804 7.9428 7.9428 7.9661 7.9661 8.0652 8.0652 8.0799 8.0799 8.0986 8.0986 8.2002 8.2002 8.2453 8.2453 8.4744 8.4744 k = 0.0000 0.0000 0.2133 ( 16414 PWs) bands (ev): -0.0308 -0.0308 1.2649 1.2649 2.2268 2.2268 2.2403 2.2403 2.5771 2.5771 2.5813 2.5813 4.0982 4.0982 4.1088 4.1088 4.3485 4.3485 4.7504 4.7504 4.7604 4.7604 4.8388 4.8388 4.9119 4.9119 5.2801 5.2801 5.2838 5.2838 5.6038 5.6038 5.7389 5.7389 5.8334 5.8334 5.8373 5.8373 5.8386 5.8386 6.1866 6.1866 6.7310 6.7310 6.7389 6.7389 6.7403 6.7403 6.7612 6.7612 7.0117 7.0117 7.0687 7.0687 7.0968 7.0968 7.2807 7.2807 7.2807 7.2807 7.3381 7.3381 7.3758 7.3758 7.5279 7.5279 7.6662 7.6662 7.7395 7.7395 7.9236 7.9236 7.9445 7.9445 8.0441 8.0441 8.0698 8.0698 8.1019 8.1019 8.2201 8.2201 8.2679 8.2679 8.4236 8.4236 k = 0.0000 0.0000 0.2370 ( 16442 PWs) bands (ev): -0.0015 -0.0015 1.2450 1.2450 2.1736 2.1736 2.2246 2.2246 2.5950 2.5950 2.5990 2.5990 4.0525 4.0525 4.0619 4.0619 4.4207 4.4207 4.7643 4.7643 4.8149 4.8149 4.8668 4.8668 4.9138 4.9138 5.3329 5.3329 5.3377 5.3377 5.5947 5.5947 5.7555 5.7555 5.8289 5.8289 5.8340 5.8340 5.8631 5.8631 6.1273 6.1273 6.7372 6.7372 6.7419 6.7419 6.7429 6.7429 6.7677 6.7677 7.0457 7.0457 7.0732 7.0732 7.0986 7.0986 7.2661 7.2661 7.2666 7.2666 7.3064 7.3064 7.3512 7.3512 7.5038 7.5038 7.6330 7.6330 7.6972 7.6972 7.9003 7.9003 7.9194 7.9194 8.0072 8.0072 8.0734 8.0734 8.1054 8.1054 8.2451 8.2451 8.2945 8.2945 8.3695 8.3695 k = 0.0000 0.0000 0.2607 ( 16438 PWs) bands (ev): 0.0308 0.0308 1.2202 1.2202 2.1254 2.1254 2.2079 2.2079 2.6141 2.6141 2.6180 2.6180 4.0073 4.0073 4.0156 4.0156 4.4892 4.4892 4.7784 4.7784 4.8772 4.8772 4.8971 4.8971 4.9157 4.9157 5.3856 5.3856 5.3914 5.3914 5.5848 5.5848 5.7702 5.7702 5.8239 5.8239 5.8294 5.8294 5.8918 5.8918 6.0679 6.0679 6.7364 6.7364 6.7446 6.7446 6.7488 6.7488 6.7738 6.7738 7.0778 7.0778 7.0823 7.0823 7.1004 7.1004 7.2519 7.2519 7.2528 7.2528 7.2729 7.2729 7.3308 7.3308 7.4790 7.4790 7.6024 7.6024 7.6542 7.6542 7.8735 7.8735 7.8915 7.8915 7.9682 7.9682 8.0778 8.0778 8.1094 8.1094 8.2740 8.2740 8.3131 8.3131 8.3242 8.3242 k = 0.0000 0.0000 0.2844 ( 16422 PWs) bands (ev): 0.0659 0.0659 1.1902 1.1902 2.0834 2.0834 2.1905 2.1905 2.6343 2.6343 2.6380 2.6380 3.9629 3.9629 3.9702 3.9702 4.5538 4.5538 4.7928 4.7928 4.9176 4.9176 4.9294 4.9294 4.9465 4.9465 5.4378 5.4378 5.4444 5.4444 5.5739 5.5739 5.7805 5.7805 5.8189 5.8189 5.8246 5.8246 5.9227 5.9227 6.0106 6.0106 6.7303 6.7303 6.7462 6.7462 6.7563 6.7563 6.7792 6.7792 7.0819 7.0819 7.1016 7.1016 7.1211 7.1211 7.2369 7.2369 7.2389 7.2389 7.2416 7.2416 7.3160 7.3160 7.4540 7.4540 7.5750 7.5750 7.6112 7.6112 7.8440 7.8440 7.8611 7.8611 7.9277 7.9277 8.0830 8.0830 8.1137 8.1137 8.2539 8.2539 8.3072 8.3072 8.3510 8.3510 k = 0.0000 0.0000 0.3081 ( 16434 PWs) bands (ev): 0.1038 0.1038 1.1548 1.1548 2.0480 2.0480 2.1725 2.1725 2.6552 2.6552 2.6587 2.6587 3.9197 3.9197 3.9261 3.9261 4.6151 4.6151 4.8071 4.8071 4.9195 4.9195 4.9632 4.9632 5.0213 5.0213 5.4888 5.4888 5.4961 5.4961 5.5621 5.5621 5.7818 5.7818 5.8142 5.8142 5.8189 5.8189 5.9557 5.9557 5.9607 5.9607 6.7190 6.7190 6.7479 6.7479 6.7633 6.7633 6.7836 6.7836 7.0848 7.0848 7.1016 7.1016 7.1605 7.1605 7.2035 7.2035 7.2285 7.2285 7.2310 7.2310 7.3076 7.3076 7.4290 7.4290 7.5513 7.5513 7.5686 7.5686 7.8125 7.8125 7.8291 7.8291 7.8863 7.8863 8.0890 8.0890 8.1183 8.1183 8.1941 8.1941 8.3081 8.3081 8.3427 8.3427 k = 0.0000 0.0000 0.3318 ( 16422 PWs) bands (ev): 0.1444 0.1444 1.1140 1.1140 2.0196 2.0196 2.1540 2.1540 2.6764 2.6764 2.6797 2.6797 3.8782 3.8782 3.8838 3.8838 4.6741 4.6741 4.8213 4.8213 4.9212 4.9212 4.9984 4.9984 5.0995 5.0995 5.5376 5.5376 5.5461 5.5461 5.5499 5.5499 5.7655 5.7655 5.8098 5.8098 5.8119 5.8119 5.9267 5.9267 5.9908 5.9908 6.7020 6.7020 6.7501 6.7501 6.7695 6.7695 6.7869 6.7869 7.0855 7.0855 7.0996 7.0996 7.1606 7.1606 7.2103 7.2103 7.2219 7.2219 7.2250 7.2250 7.3062 7.3062 7.4043 7.4043 7.5270 7.5270 7.5318 7.5318 7.7796 7.7796 7.7959 7.7959 7.8443 7.8443 8.0955 8.0955 8.1229 8.1229 8.1333 8.1333 8.2442 8.2442 8.3810 8.3810 k = 0.0000 0.0000 0.3555 ( 16430 PWs) bands (ev): 0.1876 0.1876 1.0682 1.0682 1.9980 1.9980 2.1353 2.1353 2.6978 2.6978 2.7008 2.7008 3.8387 3.8387 3.8435 3.8435 4.7316 4.7316 4.8350 4.8350 4.9227 4.9227 5.0346 5.0346 5.1790 5.1790 5.5360 5.5360 5.5855 5.5855 5.5936 5.5936 5.7257 5.7257 5.8058 5.8058 5.8061 5.8061 5.9116 5.9116 6.0277 6.0277 6.6794 6.6794 6.7528 6.7528 6.7749 6.7749 6.7886 6.7886 7.0832 7.0832 7.0950 7.0950 7.1255 7.1255 7.2200 7.2200 7.2239 7.2239 7.2540 7.2540 7.3117 7.3117 7.3805 7.3805 7.4871 7.4871 7.5170 7.5170 7.7461 7.7461 7.7620 7.7620 7.8021 7.8021 8.0720 8.0720 8.1024 8.1024 8.1264 8.1264 8.1801 8.1801 8.4217 8.4217 k = 0.0000 0.0000 0.3792 ( 16430 PWs) bands (ev): 0.2332 0.2332 1.0182 1.0182 1.9827 1.9827 2.1165 2.1165 2.7187 2.7187 2.7215 2.7215 3.8018 3.8018 3.8059 3.8059 4.7887 4.7887 4.8482 4.8482 4.9238 4.9238 5.0714 5.0714 5.2568 5.2568 5.5234 5.5234 5.6296 5.6296 5.6378 5.6378 5.6707 5.6707 5.8014 5.8014 5.8023 5.8023 5.9069 5.9069 6.0663 6.0663 6.6515 6.6515 6.7560 6.7560 6.7797 6.7797 6.7889 6.7889 7.0764 7.0764 7.0881 7.0881 7.0911 7.0911 7.2231 7.2231 7.2281 7.2281 7.3008 7.3008 7.3235 7.3235 7.3584 7.3584 7.4493 7.4493 7.5075 7.5075 7.7126 7.7126 7.7281 7.7281 7.7604 7.7604 8.0109 8.0109 8.1070 8.1070 8.1094 8.1094 8.1384 8.1384 8.4646 8.4646 k = 0.0000 0.0000 0.4029 ( 16426 PWs) bands (ev): 0.2813 0.2813 0.9645 0.9645 1.9732 1.9732 2.0979 2.0979 2.7387 2.7387 2.7412 2.7412 3.7679 3.7679 3.7714 3.7714 4.8458 4.8458 4.8605 4.8605 4.9246 4.9246 5.1086 5.1086 5.3283 5.3283 5.5141 5.5141 5.6077 5.6077 5.6700 5.6700 5.6794 5.6794 5.7972 5.7972 5.7996 5.7996 5.9040 5.9040 6.1064 6.1064 6.6190 6.6190 6.7596 6.7596 6.7848 6.7848 6.7877 6.7877 7.0506 7.0506 7.0742 7.0742 7.0796 7.0796 7.2305 7.2305 7.2367 7.2367 7.3337 7.3337 7.3455 7.3455 7.3491 7.3491 7.4145 7.4145 7.5036 7.5036 7.6798 7.6798 7.6947 7.6947 7.7194 7.7194 7.9505 7.9505 8.0451 8.0451 8.1163 8.1163 8.1392 8.1392 8.5092 8.5093 k = 0.0000 0.0000 0.4266 ( 16418 PWs) bands (ev): 0.3316 0.3316 0.9082 0.9082 1.9687 1.9687 2.0796 2.0796 2.7573 2.7573 2.7594 2.7594 3.7377 3.7377 3.7406 3.7406 4.8720 4.8720 4.9034 4.9034 4.9250 4.9250 5.1456 5.1456 5.3824 5.3824 5.5180 5.5180 5.5425 5.5425 5.7059 5.7059 5.7158 5.7158 5.7933 5.7933 5.7977 5.7977 5.8983 5.8983 6.1480 6.1480 6.5827 6.5827 6.7626 6.7626 6.7852 6.7852 6.7913 6.7913 7.0166 7.0166 7.0660 7.0660 7.0707 7.0707 7.2410 7.2410 7.2485 7.2485 7.3184 7.3184 7.3655 7.3655 7.3785 7.3785 7.4034 7.4034 7.5060 7.5060 7.6485 7.6485 7.6626 7.6626 7.6795 7.6795 7.8912 7.8912 7.9809 7.9809 8.1230 8.1230 8.1423 8.1423 8.5555 8.5555 k = 0.0000 0.0000 0.4503 ( 16414 PWs) bands (ev): 0.3840 0.3840 0.8499 0.8499 1.9687 1.9687 2.0617 2.0617 2.7737 2.7737 2.7755 2.7755 3.7118 3.7118 3.7141 3.7141 4.8824 4.8824 4.9236 4.9236 4.9630 4.9630 5.1821 5.1821 5.4019 5.4019 5.4762 5.4762 5.5508 5.5508 5.7363 5.7363 5.7471 5.7471 5.7897 5.7897 5.7970 5.7970 5.8875 5.8875 6.1907 6.1907 6.5433 6.5433 6.7645 6.7645 6.7817 6.7817 6.8006 6.8006 6.9833 6.9833 7.0586 7.0586 7.0624 7.0624 7.2530 7.2530 7.2620 7.2620 7.3044 7.3044 7.3523 7.3523 7.3911 7.3911 7.4529 7.4529 7.5152 7.5152 7.6198 7.6198 7.6326 7.6326 7.6412 7.6412 7.8334 7.8334 7.9174 7.9174 8.1292 8.1292 8.1450 8.1450 8.6029 8.6029 k = 0.0000 0.0000 0.4740 ( 16414 PWs) bands (ev): 0.4384 0.4384 0.7904 0.7904 1.9723 1.9723 2.0446 2.0446 2.7875 2.7875 2.7888 2.7888 3.6908 3.6908 3.6926 3.6926 4.8917 4.8917 4.9224 4.9224 5.0228 5.0228 5.2176 5.2176 5.3936 5.3936 5.4098 5.4098 5.6043 5.6043 5.7596 5.7596 5.7724 5.7724 5.7862 5.7862 5.7982 5.7982 5.8703 5.8703 6.2345 6.2345 6.5017 6.5017 6.7653 6.7653 6.7777 6.7777 6.8132 6.8132 6.9518 6.9518 7.0525 7.0525 7.0553 7.0553 7.2643 7.2643 7.2751 7.2751 7.2956 7.2956 7.3286 7.3286 7.4189 7.4189 7.5055 7.5055 7.5319 7.5319 7.5952 7.5952 7.6049 7.6049 7.6059 7.6059 7.7778 7.7778 7.8549 7.8549 8.1348 8.1348 8.1469 8.1469 8.6510 8.6510 k = 0.0000 0.0000 0.4978 ( 16414 PWs) bands (ev): 0.4944 0.4944 0.7304 0.7304 1.9791 1.9791 2.0285 2.0285 2.7979 2.7979 2.7988 2.7988 3.6754 3.6754 3.6766 3.6766 4.8998 4.8998 4.9201 4.9201 5.0839 5.0839 5.2509 5.2509 5.3448 5.3448 5.3737 5.3737 5.6613 5.6613 5.7748 5.7748 5.7823 5.7823 5.7913 5.7913 5.8020 5.8020 5.8463 5.8463 6.2789 6.2789 6.4584 6.4584 6.7657 6.7657 6.7738 6.7738 6.8292 6.8292 6.9222 6.9222 7.0480 7.0480 7.0499 7.0499 7.2714 7.2714 7.2853 7.2853 7.2942 7.2942 7.3104 7.3104 7.4475 7.4475 7.5553 7.5553 7.5560 7.5560 7.5717 7.5717 7.5792 7.5792 7.5846 7.5846 7.7249 7.7249 7.7936 7.7936 8.1395 8.1395 8.1477 8.1477 8.6988 8.6988 k = 0.0000 0.0000 0.5215 ( 16402 PWs) bands (ev): 0.5520 0.5520 0.6703 0.6703 1.9885 1.9885 2.0136 2.0136 2.8045 2.8045 2.8049 2.8049 3.6660 3.6660 3.6666 3.6666 4.9066 4.9066 4.9167 4.9167 5.1461 5.1461 5.2646 5.2646 5.2986 5.2986 5.3486 5.3486 5.7139 5.7139 5.7759 5.7759 5.7835 5.7835 5.8027 5.8027 5.8069 5.8069 5.8175 5.8175 6.3239 6.3239 6.4140 6.4140 6.7664 6.7664 6.7704 6.7704 6.8483 6.8483 6.8950 6.8950 7.0454 7.0454 7.0463 7.0463 7.2749 7.2749 7.2864 7.2864 7.2985 7.2985 7.3024 7.3024 7.4764 7.4764 7.5365 7.5365 7.5625 7.5625 7.5663 7.5663 7.5916 7.5916 7.6185 7.6185 7.6755 7.6755 7.7337 7.7337 8.1433 8.1433 8.1474 8.1474 8.7438 8.7438 k = 0.0000 0.0000 0.5452 ( 16414 PWs) bands (ev): 0.6107 0.6107 0.6107 0.6107 2.0001 2.0001 2.0001 2.0001 2.8069 2.8069 2.8069 2.8069 3.6631 3.6631 3.6631 3.6631 4.9123 4.9123 4.9123 4.9123 5.2088 5.2088 5.2088 5.2088 5.3208 5.3208 5.3208 5.3208 5.7560 5.7560 5.7560 5.7560 5.7930 5.7930 5.7930 5.7930 5.8084 5.8084 5.8084 5.8084 6.3690 6.3690 6.3690 6.3690 6.7679 6.7679 6.7679 6.7679 6.8703 6.8703 6.8703 6.8703 7.0448 7.0448 7.0448 7.0448 7.2797 7.2797 7.2797 7.2797 7.3017 7.3017 7.3017 7.3017 7.5059 7.5059 7.5059 7.5059 7.5601 7.5601 7.5601 7.5601 7.6301 7.6301 7.6301 7.6301 7.6754 7.6754 7.6754 7.6754 8.1459 8.1459 8.1459 8.1459 8.7774 8.7774 k = 0.0000 0.0000 0.5452 ( 16414 PWs) bands (ev): 0.6107 0.6107 0.6107 0.6107 2.0001 2.0001 2.0001 2.0001 2.8069 2.8069 2.8069 2.8069 3.6631 3.6631 3.6631 3.6631 4.9123 4.9123 4.9123 4.9123 5.2088 5.2088 5.2088 5.2088 5.3208 5.3208 5.3208 5.3208 5.7560 5.7560 5.7560 5.7560 5.7930 5.7930 5.7930 5.7930 5.8084 5.8084 5.8084 5.8084 6.3690 6.3690 6.3690 6.3690 6.7679 6.7679 6.7679 6.7679 6.8703 6.8703 6.8703 6.8703 7.0448 7.0448 7.0448 7.0448 7.2797 7.2797 7.2797 7.2797 7.3017 7.3017 7.3017 7.3017 7.5059 7.5059 7.5059 7.5059 7.5601 7.5601 7.5601 7.5601 7.6301 7.6301 7.6301 7.6301 7.6754 7.6754 7.6754 7.6754 8.1459 8.1459 8.1459 8.1459 8.7774 8.7774 k = 0.0000 0.0238 0.5452 ( 16410 PWs) bands (ev): 0.6118 0.6118 0.6118 0.6118 1.9987 1.9987 1.9988 1.9988 2.8062 2.8062 2.8070 2.8070 3.6613 3.6613 3.6622 3.6622 4.9148 4.9148 4.9153 4.9153 5.2076 5.2076 5.2090 5.2090 5.3119 5.3119 5.3125 5.3125 5.7546 5.7546 5.7583 5.7583 5.7929 5.7929 5.7965 5.7965 5.8150 5.8150 5.8160 5.8160 6.3711 6.3711 6.3721 6.3721 6.7674 6.7674 6.7684 6.7684 6.8671 6.8671 6.8720 6.8720 7.0437 7.0437 7.0450 7.0450 7.2735 7.2735 7.2822 7.2822 7.2985 7.2985 7.3053 7.3053 7.5051 7.5051 7.5064 7.5064 7.5573 7.5573 7.5600 7.5600 7.6296 7.6296 7.6314 7.6314 7.6742 7.6742 7.6774 7.6774 8.1477 8.1477 8.1500 8.1500 8.7744 8.7768 k = 0.0000 0.0476 0.5452 ( 16414 PWs) bands (ev): 0.6152 0.6152 0.6152 0.6152 1.9944 1.9944 1.9948 1.9948 2.8051 2.8051 2.8066 2.8066 3.6570 3.6570 3.6588 3.6588 4.9226 4.9226 4.9235 4.9235 5.2056 5.2056 5.2086 5.2086 5.2874 5.2874 5.2886 5.2886 5.7554 5.7554 5.7613 5.7613 5.7963 5.7963 5.8011 5.8011 5.8354 5.8354 5.8364 5.8364 6.3782 6.3782 6.3802 6.3802 6.7669 6.7669 6.7690 6.7690 6.8627 6.8627 6.8725 6.8725 7.0416 7.0416 7.0444 7.0444 7.2649 7.2649 7.2784 7.2784 7.2983 7.2983 7.3079 7.3079 7.5043 7.5043 7.5067 7.5067 7.5519 7.5519 7.5571 7.5571 7.6290 7.6290 7.6314 7.6314 7.6755 7.6755 7.6807 7.6807 8.1549 8.1549 8.1596 8.1596 8.7698 8.7704 k = 0.0000 0.0714 0.5452 ( 16426 PWs) bands (ev): 0.6207 0.6207 0.6207 0.6207 1.9875 1.9875 1.9880 1.9880 2.8036 2.8036 2.8058 2.8058 3.6506 3.6506 3.6532 3.6532 4.9338 4.9338 4.9351 4.9351 5.2040 5.2040 5.2089 5.2089 5.2511 5.2511 5.2534 5.2534 5.7585 5.7585 5.7654 5.7654 5.8019 5.8019 5.8070 5.8070 5.8651 5.8651 5.8663 5.8663 6.3899 6.3899 6.3929 6.3929 6.7661 6.7661 6.7694 6.7694 6.8571 6.8571 6.8719 6.8719 7.0387 7.0387 7.0429 7.0429 7.2543 7.2543 7.2690 7.2690 7.3001 7.3001 7.3095 7.3095 7.5039 7.5039 7.5071 7.5071 7.5452 7.5452 7.5523 7.5523 7.6265 7.6265 7.6275 7.6275 7.6815 7.6815 7.6864 7.6864 8.1668 8.1668 8.1736 8.1736 8.7638 8.7640 k = 0.0000 0.0952 0.5452 ( 16424 PWs) bands (ev): 0.6284 0.6284 0.6284 0.6284 1.9776 1.9776 1.9783 1.9783 2.8020 2.8020 2.8048 2.8048 3.6425 3.6425 3.6459 3.6459 4.9459 4.9459 4.9473 4.9473 5.1984 5.1984 5.2051 5.2051 5.2142 5.2142 5.2177 5.2177 5.7639 5.7639 5.7711 5.7711 5.8096 5.8096 5.8143 5.8143 5.9002 5.9002 5.9019 5.9019 6.4056 6.4056 6.4095 6.4095 6.7647 6.7647 6.7694 6.7694 6.8509 6.8509 6.8706 6.8706 7.0351 7.0351 7.0409 7.0409 7.2416 7.2416 7.2561 7.2561 7.3017 7.3017 7.3098 7.3098 7.5043 7.5043 7.5075 7.5075 7.5382 7.5382 7.5463 7.5463 7.6200 7.6200 7.6216 7.6216 7.6918 7.6918 7.6951 7.6951 8.1819 8.1819 8.1906 8.1906 8.7567 8.7567 k = 0.0000 0.1190 0.5452 ( 16412 PWs) bands (ev): 0.6382 0.6382 0.6382 0.6382 1.9650 1.9650 1.9658 1.9658 2.8003 2.8003 2.8038 2.8038 3.6333 3.6333 3.6373 3.6373 4.9553 4.9553 4.9564 4.9564 5.1576 5.1576 5.1577 5.1577 5.2191 5.2191 5.2224 5.2224 5.7713 5.7713 5.7782 5.7782 5.8191 5.8191 5.8229 5.8229 5.9379 5.9379 5.9401 5.9401 6.4242 6.4242 6.4291 6.4291 6.7622 6.7622 6.7682 6.7682 6.8449 6.8449 6.8693 6.8693 7.0310 7.0310 7.0385 7.0385 7.2270 7.2270 7.2404 7.2404 7.3027 7.3027 7.3091 7.3091 7.5057 7.5057 7.5077 7.5077 7.5320 7.5320 7.5398 7.5398 7.6107 7.6107 7.6149 7.6149 7.7046 7.7046 7.7064 7.7064 8.1986 8.1986 8.2090 8.2090 8.7487 8.7488 k = 0.0000 0.1429 0.5452 ( 16404 PWs) bands (ev): 0.6500 0.6500 0.6500 0.6500 1.9495 1.9495 1.9504 1.9504 2.7988 2.7988 2.8029 2.8029 3.6236 3.6236 3.6282 3.6282 4.9587 4.9587 4.9590 4.9590 5.1067 5.1067 5.1080 5.1080 5.2364 5.2364 5.2407 5.2407 5.7806 5.7806 5.7867 5.7867 5.8303 5.8303 5.8328 5.8328 5.9763 5.9763 5.9791 5.9791 6.4444 6.4444 6.4503 6.4503 6.7582 6.7582 6.7649 6.7649 6.8403 6.8403 6.8687 6.8687 7.0266 7.0266 7.0358 7.0358 7.2107 7.2107 7.2224 7.2224 7.3027 7.3027 7.3074 7.3074 7.5060 7.5060 7.5074 7.5074 7.5287 7.5287 7.5338 7.5338 7.6014 7.6014 7.6078 7.6078 7.7189 7.7189 7.7192 7.7192 8.2152 8.2152 8.2269 8.2269 8.7406 8.7406 k = 0.0000 0.1667 0.5452 ( 16402 PWs) bands (ev): 0.6636 0.6636 0.6637 0.6637 1.9313 1.9313 1.9323 1.9323 2.7979 2.7979 2.8024 2.8024 3.6137 3.6137 3.6189 3.6189 4.9533 4.9533 4.9543 4.9543 5.0554 5.0554 5.0577 5.0577 5.2643 5.2643 5.2688 5.2688 5.7916 5.7916 5.7968 5.7968 5.8430 5.8430 5.8439 5.8439 6.0143 6.0143 6.0177 6.0177 6.4647 6.4647 6.4716 6.4716 6.7520 6.7520 6.7585 6.7585 6.8386 6.8386 6.8696 6.8696 7.0221 7.0221 7.0330 7.0330 7.1930 7.1930 7.2025 7.2025 7.3020 7.3020 7.3049 7.3049 7.5013 7.5013 7.5072 7.5072 7.5288 7.5288 7.5301 7.5301 7.5936 7.5936 7.6018 7.6018 7.7328 7.7328 7.7337 7.7337 8.2304 8.2304 8.2428 8.2428 8.7327 8.7328 k = 0.0000 0.1905 0.5452 ( 16416 PWs) bands (ev): 0.6791 0.6791 0.6792 0.6792 1.9104 1.9104 1.9115 1.9115 2.7976 2.7976 2.8026 2.8026 3.6042 3.6042 3.6098 3.6098 4.9393 4.9393 4.9421 4.9421 5.0056 5.0056 5.0091 5.0091 5.3009 5.3009 5.3054 5.3054 5.8041 5.8041 5.8083 5.8083 5.8566 5.8566 5.8573 5.8573 6.0512 6.0512 6.0552 6.0552 6.4834 6.4834 6.4912 6.4912 6.7435 6.7435 6.7484 6.7484 6.8405 6.8405 6.8726 6.8726 7.0177 7.0177 7.0303 7.0303 7.1744 7.1744 7.1812 7.1812 7.3008 7.3008 7.3019 7.3019 7.4952 7.4952 7.5034 7.5034 7.5290 7.5290 7.5296 7.5296 7.5892 7.5892 7.5988 7.5988 7.7468 7.7468 7.7486 7.7486 8.2426 8.2426 8.2551 8.2551 8.7255 8.7256 k = 0.0000 0.2143 0.5452 ( 16426 PWs) bands (ev): 0.6961 0.6961 0.6962 0.6962 1.8871 1.8871 1.8883 1.8883 2.7981 2.7981 2.8035 2.8035 3.5953 3.5953 3.6012 3.6012 4.9168 4.9168 4.9217 4.9217 4.9601 4.9601 4.9650 4.9650 5.3436 5.3436 5.3482 5.3482 5.8180 5.8180 5.8215 5.8215 5.8711 5.8711 5.8733 5.8733 6.0865 6.0865 6.0912 6.0912 6.4988 6.4988 6.5076 6.5076 6.7326 6.7326 6.7354 6.7354 6.8458 6.8458 6.8777 6.8777 7.0135 7.0135 7.0277 7.0277 7.1555 7.1555 7.1594 7.1594 7.2987 7.2987 7.2992 7.2992 7.4889 7.4889 7.4972 7.4972 7.5269 7.5269 7.5277 7.5277 7.5908 7.5908 7.6009 7.6009 7.7610 7.7610 7.7635 7.7635 8.2511 8.2511 8.2628 8.2628 8.7186 8.7187 k = 0.0000 0.2381 0.5452 ( 16430 PWs) bands (ev): 0.7146 0.7146 0.7146 0.7146 1.8617 1.8617 1.8629 1.8629 2.7996 2.7996 2.8053 2.8053 3.5871 3.5871 3.5933 3.5933 4.8852 4.8852 4.8907 4.8907 4.9240 4.9240 4.9288 4.9288 5.3895 5.3895 5.3944 5.3944 5.8333 5.8333 5.8367 5.8367 5.8879 5.8879 5.8913 5.8913 6.1198 6.1198 6.1253 6.1253 6.5097 6.5097 6.5193 6.5193 6.7199 6.7199 6.7203 6.7203 6.8537 6.8537 6.8846 6.8846 7.0096 7.0096 7.0250 7.0250 7.1372 7.1372 7.1378 7.1378 7.2955 7.2955 7.2975 7.2975 7.4835 7.4835 7.4905 7.4905 7.5214 7.5214 7.5216 7.5216 7.5989 7.5989 7.6087 7.6087 7.7751 7.7751 7.7782 7.7782 8.2551 8.2551 8.2652 8.2652 8.7064 8.7110 k = 0.0000 0.2619 0.5452 ( 16426 PWs) bands (ev): 0.7341 0.7341 0.7342 0.7342 1.8346 1.8346 1.8358 1.8358 2.8020 2.8020 2.8080 2.8080 3.5797 3.5797 3.5860 3.5860 4.8476 4.8476 4.8519 4.8519 4.8963 4.8963 4.8993 4.8993 5.4360 5.4360 5.4416 5.4416 5.8501 5.8501 5.8541 5.8541 5.9074 5.9074 5.9114 5.9114 6.1507 6.1507 6.1569 6.1569 6.5153 6.5153 6.5255 6.5255 6.7039 6.7039 6.7057 6.7057 6.8629 6.8629 6.8920 6.8920 7.0062 7.0062 7.0220 7.0220 7.1177 7.1177 7.1203 7.1203 7.2927 7.2927 7.2960 7.2960 7.4791 7.4791 7.4833 7.4833 7.5121 7.5121 7.5136 7.5136 7.6120 7.6120 7.6208 7.6208 7.7893 7.7893 7.7928 7.7928 8.2545 8.2545 8.2623 8.2623 8.6825 8.6918 k = 0.0000 0.2857 0.5452 ( 16410 PWs) bands (ev): 0.7545 0.7545 0.7546 0.7546 1.8063 1.8063 1.8076 1.8076 2.8053 2.8053 2.8116 2.8116 3.5730 3.5730 3.5795 3.5795 4.8095 4.8095 4.8129 4.8129 4.8712 4.8712 4.8728 4.8728 5.4809 5.4809 5.4874 5.4874 5.8689 5.8689 5.8742 5.8742 5.9299 5.9299 5.9341 5.9341 6.1785 6.1785 6.1856 6.1856 6.5155 6.5155 6.5261 6.5261 6.6870 6.6870 6.6905 6.6905 6.8722 6.8722 6.8986 6.8986 7.0031 7.0031 7.0178 7.0178 7.1005 7.1005 7.1060 7.1060 7.2904 7.2904 7.2949 7.2949 7.4747 7.4747 7.4754 7.4754 7.5010 7.5010 7.5062 7.5062 7.6278 7.6278 7.6355 7.6355 7.8037 7.8037 7.8075 7.8075 8.2499 8.2499 8.2547 8.2547 8.6625 8.6626 k = 0.0000 0.3095 0.5452 ( 16420 PWs) bands (ev): 0.7753 0.7753 0.7754 0.7754 1.7775 1.7775 1.7788 1.7788 2.8094 2.8094 2.8158 2.8158 3.5671 3.5671 3.5737 3.5737 4.7737 4.7737 4.7767 4.7767 4.8470 4.8470 4.8478 4.8478 5.5221 5.5221 5.5296 5.5296 5.8900 5.8900 5.8970 5.8970 5.9559 5.9559 5.9599 5.9599 6.2025 6.2025 6.2105 6.2105 6.5109 6.5109 6.5215 6.5215 6.6699 6.6699 6.6746 6.6746 6.8803 6.8803 6.9026 6.9026 7.0006 7.0006 7.0115 7.0115 7.0879 7.0879 7.0952 7.0952 7.2888 7.2888 7.2943 7.2943 7.4634 7.4634 7.4698 7.4698 7.4918 7.4918 7.5017 7.5017 7.6448 7.6448 7.6512 7.6512 7.8185 7.8185 7.8225 7.8225 8.2416 8.2416 8.2432 8.2432 8.6418 8.6418 k = 0.0000 0.3333 0.5452 ( 16410 PWs) bands (ev): 0.7961 0.7961 0.7962 0.7962 1.7489 1.7489 1.7501 1.7501 2.8140 2.8140 2.8206 2.8206 3.5619 3.5619 3.5685 3.5685 4.7414 4.7414 4.7444 4.7444 4.8239 4.8239 4.8242 4.8242 5.5579 5.5579 5.5666 5.5666 5.9132 5.9132 5.9222 5.9222 5.9858 5.9858 5.9894 5.9894 6.2217 6.2217 6.2309 6.2309 6.5025 6.5025 6.5128 6.5128 6.6529 6.6529 6.6584 6.6584 6.8861 6.8861 6.9029 6.9029 6.9988 6.9988 7.0028 7.0028 7.0809 7.0809 7.0884 7.0884 7.2882 7.2882 7.2946 7.2946 7.4492 7.4492 7.4587 7.4587 7.4888 7.4888 7.5006 7.5006 7.6616 7.6616 7.6666 7.6666 7.8341 7.8341 7.8382 7.8382 8.2288 8.2288 8.2307 8.2307 8.6199 8.6199 k = 0.0000 0.3571 0.5452 ( 16408 PWs) bands (ev): 0.8163 0.8163 0.8164 0.8164 1.7212 1.7212 1.7224 1.7224 2.8189 2.8189 2.8256 2.8256 3.5574 3.5574 3.5640 3.5640 4.7133 4.7133 4.7163 4.7163 4.8022 4.8022 4.8022 4.8022 5.5876 5.5876 5.5974 5.5974 5.9381 5.9381 5.9487 5.9487 6.0198 6.0198 6.0234 6.0234 6.2354 6.2354 6.2457 6.2457 6.4912 6.4912 6.5009 6.5009 6.6363 6.6363 6.6422 6.6422 6.8887 6.8887 6.8992 6.8992 6.9930 6.9930 6.9977 6.9977 7.0788 7.0788 7.0856 7.0856 7.2887 7.2887 7.2959 7.2959 7.4334 7.4334 7.4437 7.4437 7.4904 7.4904 7.5021 7.5021 7.6772 7.6772 7.6808 7.6808 7.8504 7.8504 7.8548 7.8548 8.2125 8.2125 8.2179 8.2179 8.5978 8.5978 k = 0.0000 0.3810 0.5452 ( 16424 PWs) bands (ev): 0.8354 0.8354 0.8355 0.8355 1.6953 1.6953 1.6966 1.6966 2.8238 2.8238 2.8305 2.8305 3.5534 3.5534 3.5600 3.5600 4.6895 4.6895 4.6927 4.6927 4.7824 4.7824 4.7825 4.7825 5.6111 5.6111 5.6218 5.6218 5.9636 5.9636 5.9750 5.9750 6.0576 6.0576 6.0618 6.0618 6.2428 6.2428 6.2544 6.2544 6.4774 6.4774 6.4860 6.4860 6.6212 6.6212 6.6272 6.6272 6.8878 6.8878 6.8923 6.8923 6.9840 6.9840 6.9971 6.9971 7.0796 7.0796 7.0857 7.0857 7.2906 7.2906 7.2984 7.2984 7.4167 7.4167 7.4272 7.4272 7.4943 7.4943 7.5054 7.5054 7.6908 7.6908 7.6929 7.6929 7.8675 7.8675 7.8724 7.8724 8.1950 8.1950 8.2041 8.2041 8.5762 8.5762 k = 0.0000 0.4048 0.5452 ( 16430 PWs) bands (ev): 0.8526 0.8526 0.8527 0.8527 1.6723 1.6723 1.6735 1.6735 2.8283 2.8283 2.8351 2.8351 3.5501 3.5501 3.5566 3.5566 4.6702 4.6702 4.6737 4.6737 4.7652 4.7652 4.7654 4.7654 5.6289 5.6289 5.6402 5.6402 5.9883 5.9883 5.9998 5.9998 6.0983 6.0983 6.1036 6.1036 6.2441 6.2441 6.2570 6.2570 6.4607 6.4607 6.4676 6.4676 6.6091 6.6091 6.6147 6.6147 6.8838 6.8838 6.8840 6.8840 6.9773 6.9773 6.9971 6.9971 7.0818 7.0818 7.0874 7.0874 7.2939 7.2939 7.3022 7.3022 7.4000 7.4000 7.4105 7.4105 7.4990 7.4990 7.5095 7.5095 7.7019 7.7019 7.7027 7.7027 7.8849 7.8849 7.8905 7.8905 8.1773 8.1773 8.1900 8.1900 8.5565 8.5565 k = 0.0000 0.4286 0.5452 ( 16458 PWs) bands (ev): 0.8671 0.8671 0.8671 0.8671 1.6530 1.6530 1.6542 1.6542 2.8322 2.8322 2.8391 2.8391 3.5474 3.5474 3.5538 3.5538 4.6554 4.6554 4.6591 4.6591 4.7512 4.7512 4.7514 4.7514 5.6416 5.6416 5.6534 5.6534 6.0109 6.0109 6.0221 6.0221 6.1396 6.1396 6.1466 6.1466 6.2405 6.2405 6.2547 6.2547 6.4407 6.4407 6.4453 6.4453 6.6009 6.6009 6.6058 6.6058 6.8752 6.8752 6.8785 6.8785 6.9728 6.9728 6.9972 6.9972 7.0844 7.0844 7.0898 7.0898 7.2986 7.2986 7.3073 7.3073 7.3841 7.3841 7.3946 7.3946 7.5037 7.5037 7.5136 7.5136 7.7101 7.7101 7.7104 7.7104 7.9013 7.9013 7.9082 7.9082 8.1603 8.1603 8.1767 8.1767 8.5397 8.5398 k = 0.0000 0.4524 0.5452 ( 16450 PWs) bands (ev): 0.8781 0.8781 0.8782 0.8782 1.6384 1.6384 1.6397 1.6397 2.8352 2.8352 2.8421 2.8421 3.5454 3.5454 3.5518 3.5518 4.6450 4.6450 4.6489 4.6489 4.7408 4.7408 4.7409 4.7409 5.6502 5.6502 5.6622 5.6622 6.0298 6.0298 6.0403 6.0403 6.1782 6.1782 6.1871 6.1871 6.2343 6.2343 6.2501 6.2501 6.4185 6.4185 6.4202 6.4202 6.5965 6.5965 6.6005 6.6005 6.8680 6.8680 6.8730 6.8730 6.9702 6.9702 6.9974 6.9974 7.0867 7.0867 7.0920 7.0920 7.3043 7.3043 7.3134 7.3134 7.3699 7.3699 7.3804 7.3804 7.5075 7.5075 7.5171 7.5171 7.7152 7.7152 7.7162 7.7162 7.9152 7.9152 7.9238 7.9238 8.1457 8.1457 8.1655 8.1655 8.5268 8.5269 k = 0.0000 0.4762 0.5452 ( 16452 PWs) bands (ev): 0.8850 0.8850 0.8851 0.8851 1.6293 1.6293 1.6305 1.6305 2.8371 2.8371 2.8440 2.8440 3.5442 3.5442 3.5506 3.5506 4.6388 4.6388 4.6428 4.6428 4.7344 4.7344 4.7345 4.7345 5.6551 5.6551 5.6672 5.6672 6.0427 6.0427 6.0526 6.0526 6.2079 6.2079 6.2180 6.2180 6.2290 6.2290 6.2473 6.2473 6.3970 6.3970 6.3986 6.3986 6.5947 6.5947 6.5981 6.5981 6.8631 6.8631 6.8690 6.8690 6.9689 6.9689 6.9976 6.9976 7.0882 7.0882 7.0934 7.0934 7.3099 7.3099 7.3192 7.3192 7.3591 7.3591 7.3696 7.3696 7.5101 7.5101 7.5195 7.5195 7.7181 7.7181 7.7196 7.7196 7.9248 7.9248 7.9348 7.9348 8.1354 8.1354 8.1577 8.1577 8.5187 8.5190 k = 0.0000 0.5000 0.5452 ( 16428 PWs) bands (ev): 0.8874 0.8874 0.8875 0.8875 1.6262 1.6262 1.6274 1.6274 2.8378 2.8378 2.8447 2.8447 3.5438 3.5438 3.5502 3.5502 4.6367 4.6367 4.6408 4.6408 4.7322 4.7322 4.7323 4.7323 5.6567 5.6567 5.6688 5.6688 6.0474 6.0474 6.0570 6.0570 6.2188 6.2188 6.2278 6.2278 6.2282 6.2282 6.2489 6.2489 6.3864 6.3864 6.3899 6.3899 6.5942 6.5942 6.5975 6.5975 6.8614 6.8614 6.8676 6.8676 6.9685 6.9685 6.9977 6.9977 7.0887 7.0887 7.0940 7.0940 7.3125 7.3125 7.3219 7.3219 7.3547 7.3547 7.3652 7.3652 7.5110 7.5110 7.5203 7.5203 7.7190 7.7190 7.7207 7.7207 7.9282 7.9282 7.9389 7.9389 8.1316 8.1316 8.1549 8.1549 8.5160 8.5160 k = 0.0000 0.5000 0.5452 ( 16428 PWs) bands (ev): 0.8874 0.8874 0.8875 0.8875 1.6262 1.6262 1.6274 1.6274 2.8378 2.8378 2.8447 2.8447 3.5438 3.5438 3.5502 3.5502 4.6367 4.6367 4.6408 4.6408 4.7322 4.7322 4.7323 4.7323 5.6567 5.6567 5.6688 5.6688 6.0474 6.0474 6.0570 6.0570 6.2188 6.2188 6.2278 6.2278 6.2282 6.2282 6.2489 6.2489 6.3864 6.3864 6.3899 6.3899 6.5942 6.5942 6.5975 6.5975 6.8614 6.8614 6.8676 6.8676 6.9685 6.9685 6.9977 6.9977 7.0887 7.0887 7.0940 7.0940 7.3125 7.3125 7.3219 7.3219 7.3547 7.3547 7.3652 7.3652 7.5110 7.5110 7.5203 7.5203 7.7190 7.7190 7.7207 7.7207 7.9282 7.9282 7.9389 7.9389 8.1316 8.1316 8.1549 8.1549 8.5160 8.5160 k = 0.0238 0.5000 0.5452 ( 16440 PWs) bands (ev): 0.8881 0.8881 0.8882 0.8882 1.6274 1.6274 1.6286 1.6286 2.8354 2.8354 2.8423 2.8423 3.5398 3.5398 3.5462 3.5462 4.6395 4.6395 4.6436 4.6436 4.7334 4.7334 4.7336 4.7336 5.6593 5.6593 5.6714 5.6714 6.0436 6.0436 6.0527 6.0527 6.2214 6.2214 6.2301 6.2301 6.2301 6.2301 6.2513 6.2513 6.3812 6.3812 6.3848 6.3848 6.5973 6.5973 6.6007 6.6007 6.8637 6.8637 6.8697 6.8697 6.9679 6.9679 6.9971 6.9971 7.0873 7.0873 7.0928 7.0928 7.3107 7.3107 7.3199 7.3199 7.3568 7.3568 7.3668 7.3668 7.5121 7.5121 7.5213 7.5213 7.7170 7.7170 7.7186 7.7186 7.9293 7.9293 7.9400 7.9400 8.1287 8.1287 8.1520 8.1520 8.5126 8.5127 k = 0.0476 0.5000 0.5452 ( 16440 PWs) bands (ev): 0.8901 0.8901 0.8902 0.8902 1.6310 1.6310 1.6322 1.6322 2.8285 2.8285 2.8353 2.8353 3.5282 3.5282 3.5343 3.5343 4.6475 4.6475 4.6516 4.6516 4.7372 4.7372 4.7376 4.7376 5.6672 5.6672 5.6792 5.6792 6.0326 6.0326 6.0407 6.0407 6.2281 6.2281 6.2350 6.2350 6.2370 6.2370 6.2585 6.2585 6.3668 6.3668 6.3708 6.3708 6.6054 6.6054 6.6092 6.6092 6.8703 6.8703 6.8760 6.8760 6.9662 6.9662 6.9953 6.9953 7.0833 7.0833 7.0892 7.0892 7.3057 7.3057 7.3147 7.3147 7.3622 7.3622 7.3713 7.3713 7.5152 7.5152 7.5243 7.5243 7.7110 7.7110 7.7127 7.7127 7.9324 7.9324 7.9429 7.9429 8.1202 8.1202 8.1431 8.1431 8.5027 8.5028 k = 0.0714 0.5000 0.5452 ( 16420 PWs) bands (ev): 0.8934 0.8934 0.8935 0.8935 1.6368 1.6368 1.6381 1.6381 2.8171 2.8171 2.8239 2.8239 3.5094 3.5094 3.5153 3.5153 4.6603 4.6603 4.6643 4.6643 4.7437 4.7437 4.7443 4.7443 5.6802 5.6802 5.6920 5.6920 6.0158 6.0158 6.0225 6.0225 6.2365 6.2365 6.2409 6.2409 6.2485 6.2485 6.2703 6.2703 6.3462 6.3462 6.3513 6.3513 6.6163 6.6163 6.6206 6.6206 6.8810 6.8810 6.8862 6.8862 6.9635 6.9635 6.9925 6.9925 7.0770 7.0770 7.0837 7.0837 7.2984 7.2984 7.3076 7.3076 7.3695 7.3695 7.3778 7.3778 7.5202 7.5202 7.5291 7.5291 7.7017 7.7017 7.7034 7.7034 7.9367 7.9367 7.9472 7.9472 8.1065 8.1065 8.1289 8.1289 8.4862 8.4862 k = 0.0952 0.5000 0.5452 ( 16412 PWs) bands (ev): 0.8979 0.8979 0.8980 0.8980 1.6450 1.6450 1.6463 1.6463 2.8016 2.8016 2.8082 2.8082 3.4842 3.4842 3.4898 3.4898 4.6768 4.6768 4.6809 4.6809 4.7528 4.7528 4.7540 4.7540 5.6982 5.6982 5.7096 5.7096 5.9946 5.9946 6.0000 6.0000 6.2425 6.2425 6.2438 6.2438 6.2650 6.2650 6.2866 6.2866 6.3238 6.3238 6.3310 6.3310 6.6279 6.6279 6.6328 6.6328 6.8950 6.8950 6.8995 6.8995 6.9602 6.9602 6.9893 6.9893 7.0688 7.0688 7.0767 7.0767 7.2895 7.2895 7.2993 7.2993 7.3781 7.3781 7.3858 7.3858 7.5265 7.5265 7.5351 7.5351 7.6899 7.6899 7.6916 7.6916 7.9415 7.9415 7.9519 7.9519 8.0882 8.0882 8.1099 8.1099 8.4635 8.4636 k = 0.1190 0.5000 0.5452 ( 16392 PWs) bands (ev): 0.9037 0.9037 0.9037 0.9037 1.6554 1.6554 1.6567 1.6567 2.7822 2.7822 2.7886 2.7886 3.4535 3.4535 3.4588 3.4588 4.6960 4.6960 4.7002 4.7002 4.7650 4.7650 4.7668 4.7668 5.7208 5.7208 5.7317 5.7317 5.9703 5.9703 5.9743 5.9743 6.2377 6.2377 6.2399 6.2399 6.2860 6.2860 6.3064 6.3064 6.3065 6.3065 6.3173 6.3173 6.6390 6.6390 6.6445 6.6445 6.9105 6.9105 6.9144 6.9144 6.9572 6.9572 6.9866 6.9866 7.0593 7.0593 7.0688 7.0688 7.2797 7.2797 7.2902 7.2902 7.3877 7.3877 7.3948 7.3948 7.5336 7.5336 7.5420 7.5420 7.6764 7.6764 7.6782 7.6782 7.9458 7.9458 7.9563 7.9563 8.0663 8.0663 8.0868 8.0868 8.4355 8.4355 k = 0.1429 0.5000 0.5452 ( 16400 PWs) bands (ev): 0.9105 0.9105 0.9106 0.9106 1.6680 1.6680 1.6693 1.6693 2.7593 2.7593 2.7656 2.7656 3.4185 3.4185 3.4234 3.4234 4.7166 4.7166 4.7210 4.7210 4.7805 4.7805 4.7830 4.7830 5.7475 5.7475 5.7577 5.7577 5.9439 5.9439 5.9467 5.9467 6.2185 6.2185 6.2223 6.2223 6.2998 6.2998 6.3106 6.3106 6.3124 6.3124 6.3338 6.3338 6.6491 6.6491 6.6551 6.6551 6.9231 6.9231 6.9277 6.9277 6.9578 6.9578 6.9869 6.9869 7.0493 7.0493 7.0609 7.0609 7.2692 7.2692 7.2806 7.2806 7.3979 7.3979 7.4045 7.4045 7.5407 7.5407 7.5488 7.5488 7.6625 7.6625 7.6643 7.6643 7.9483 7.9483 7.9594 7.9594 8.0419 8.0419 8.0607 8.0607 8.4029 8.4029 k = 0.1667 0.5000 0.5452 ( 16396 PWs) bands (ev): 0.9183 0.9183 0.9184 0.9184 1.6826 1.6826 1.6840 1.6840 2.7335 2.7335 2.7396 2.7396 3.3802 3.3802 3.3847 3.3847 4.7377 4.7377 4.7421 4.7421 4.7996 4.7996 4.8028 4.8028 5.7771 5.7771 5.7861 5.7861 5.9174 5.9174 5.9184 5.9184 6.1899 6.1899 6.1938 6.1938 6.3034 6.3034 6.3132 6.3132 6.3406 6.3406 6.3621 6.3621 6.6581 6.6581 6.6644 6.6644 6.9262 6.9262 6.9345 6.9345 6.9666 6.9666 6.9930 6.9930 7.0402 7.0402 7.0544 7.0544 7.2586 7.2586 7.2707 7.2707 7.4085 7.4085 7.4147 7.4147 7.5470 7.5470 7.5546 7.5546 7.6496 7.6496 7.6513 7.6513 7.9473 7.9473 7.9603 7.9603 8.0168 8.0168 8.0327 8.0327 8.3669 8.3670 k = 0.1905 0.5000 0.5452 ( 16400 PWs) bands (ev): 0.9270 0.9270 0.9271 0.9271 1.6992 1.6992 1.7007 1.7007 2.7051 2.7051 2.7110 2.7110 3.3394 3.3394 3.3435 3.3435 4.7586 4.7586 4.7630 4.7630 4.8222 4.8222 4.8259 4.8259 5.8061 5.8061 5.8119 5.8119 5.8933 5.8933 5.8958 5.8958 6.1568 6.1568 6.1605 6.1605 6.3092 6.3092 6.3180 6.3180 6.3719 6.3719 6.3937 6.3937 6.6662 6.6662 6.6726 6.6726 6.9219 6.9219 6.9335 6.9335 6.9783 6.9783 7.0011 7.0011 7.0369 7.0369 7.0518 7.0518 7.2485 7.2485 7.2608 7.2608 7.4192 7.4192 7.4252 7.4252 7.5509 7.5509 7.5581 7.5581 7.6394 7.6394 7.6409 7.6409 7.9396 7.9396 7.9568 7.9568 7.9946 7.9946 8.0051 8.0051 8.3287 8.3291 k = 0.2143 0.5000 0.5452 ( 16404 PWs) bands (ev): 0.9363 0.9363 0.9364 0.9364 1.7177 1.7177 1.7192 1.7192 2.6748 2.6748 2.6805 2.6805 3.2972 3.2972 3.3009 3.3009 4.7792 4.7792 4.7834 4.7834 4.8476 4.8476 4.8516 4.8516 5.8175 5.8175 5.8180 5.8180 5.8876 5.8876 5.8966 5.8966 6.1216 6.1216 6.1253 6.1253 6.3153 6.3153 6.3232 6.3232 6.4056 6.4056 6.4275 6.4275 6.6734 6.6734 6.6797 6.6797 6.9148 6.9148 6.9280 6.9280 6.9844 6.9844 6.9996 6.9996 7.0466 7.0466 7.0558 7.0558 7.2398 7.2398 7.2516 7.2516 7.4296 7.4296 7.4355 7.4355 7.5515 7.5515 7.5579 7.5579 7.6336 7.6336 7.6345 7.6345 7.9212 7.9212 7.9435 7.9435 7.9796 7.9796 7.9839 7.9839 8.2892 8.2894 k = 0.2381 0.5000 0.5452 ( 16412 PWs) bands (ev): 0.9462 0.9462 0.9463 0.9463 1.7377 1.7377 1.7393 1.7393 2.6430 2.6430 2.6484 2.6484 3.2544 3.2544 3.2577 3.2577 4.7998 4.7998 4.8036 4.8036 4.8750 4.8750 4.8792 4.8792 5.7966 5.7966 5.7990 5.7990 5.9152 5.9152 5.9260 5.9260 6.0857 6.0857 6.0893 6.0893 6.3208 6.3208 6.3279 6.3279 6.4407 6.4407 6.4629 6.4629 6.6798 6.6798 6.6859 6.6859 6.9066 6.9066 6.9204 6.9204 6.9829 6.9829 6.9909 6.9909 7.0633 7.0633 7.0650 7.0650 7.2342 7.2342 7.2442 7.2442 7.4394 7.4394 7.4453 7.4453 7.5484 7.5484 7.5542 7.5542 7.6324 7.6324 7.6326 7.6326 7.8942 7.8942 7.9175 7.9175 7.9706 7.9706 7.9726 7.9726 8.2494 8.2502 k = 0.2619 0.5000 0.5452 ( 16420 PWs) bands (ev): 0.9564 0.9564 0.9565 0.9565 1.7593 1.7593 1.7609 1.7609 2.6103 2.6103 2.6154 2.6154 3.2118 3.2118 3.2147 3.2147 4.8204 4.8204 4.8239 4.8239 4.9035 4.9035 4.9077 4.9077 5.7669 5.7669 5.7689 5.7689 5.9561 5.9561 5.9663 5.9663 6.0499 6.0499 6.0533 6.0533 6.3256 6.3256 6.3318 6.3318 6.4767 6.4767 6.4990 6.4990 6.6856 6.6856 6.6913 6.6913 6.8979 6.8979 6.9119 6.9119 6.9766 6.9766 6.9802 6.9802 7.0736 7.0736 7.0783 7.0783 7.2336 7.2336 7.2405 7.2405 7.4480 7.4480 7.4540 7.4540 7.5433 7.5433 7.5488 7.5488 7.6342 7.6342 7.6345 7.6345 7.8632 7.8632 7.8856 7.8856 7.9635 7.9635 7.9654 7.9654 8.2101 8.2108 k = 0.2857 0.5000 0.5452 ( 16408 PWs) bands (ev): 0.9667 0.9667 0.9668 0.9668 1.7819 1.7819 1.7836 1.7836 2.5771 2.5771 2.5820 2.5820 3.1702 3.1702 3.1728 3.1728 4.8412 4.8412 4.8443 4.8443 4.9322 4.9322 4.9364 4.9364 5.7349 5.7349 5.7364 5.7364 6.0009 6.0009 6.0052 6.0052 6.0182 6.0182 6.0202 6.0202 6.3294 6.3294 6.3350 6.3350 6.5126 6.5126 6.5350 6.5350 6.6908 6.6908 6.6959 6.6959 6.8888 6.8888 6.9030 6.9030 6.9680 6.9680 6.9690 6.9690 7.0773 7.0773 7.0874 7.0874 7.2398 7.2398 7.2426 7.2426 7.4550 7.4550 7.4610 7.4610 7.5383 7.5383 7.5440 7.5440 7.6372 7.6372 7.6376 7.6376 7.8311 7.8311 7.8522 7.8522 7.9567 7.9567 7.9588 7.9588 8.1723 8.1733 k = 0.3095 0.5000 0.5452 ( 16404 PWs) bands (ev): 0.9769 0.9769 0.9770 0.9770 1.8054 1.8054 1.8072 1.8072 2.5442 2.5442 2.5488 2.5488 3.1304 3.1304 3.1326 3.1326 4.8620 4.8620 4.8647 4.8647 4.9606 4.9606 4.9648 4.9648 5.7026 5.7026 5.7037 5.7037 5.9784 5.9784 5.9829 5.9829 6.0491 6.0491 6.0593 6.0593 6.3325 6.3325 6.3373 6.3373 6.5475 6.5475 6.5697 6.5697 6.6954 6.6954 6.6996 6.6996 6.8793 6.8793 6.8938 6.8938 6.9579 6.9579 6.9584 6.9584 7.0752 7.0752 7.0890 7.0890 7.2515 7.2515 7.2524 7.2524 7.4603 7.4603 7.4661 7.4661 7.5349 7.5349 7.5408 7.5408 7.6402 7.6402 7.6405 7.6405 7.7993 7.7993 7.8191 7.8191 7.9498 7.9498 7.9523 7.9523 8.1365 8.1397 k = 0.3333 0.5000 0.5452 ( 16412 PWs) bands (ev): 0.9867 0.9867 0.9868 0.9868 1.8293 1.8293 1.8311 1.8311 2.5119 2.5119 2.5162 2.5162 3.0931 3.0931 3.0950 3.0950 4.8826 4.8826 4.8850 4.8850 4.9882 4.9882 4.9922 4.9922 5.6709 5.6709 5.6717 5.6717 5.9458 5.9458 5.9499 5.9499 6.0973 6.0973 6.1067 6.1067 6.3349 6.3349 6.3391 6.3391 6.5802 6.5802 6.6019 6.6019 6.6996 6.6996 6.7025 6.7025 6.8696 6.8696 6.8843 6.8843 6.9472 6.9472 6.9483 6.9483 7.0691 7.0691 7.0847 7.0847 7.2657 7.2657 7.2692 7.2692 7.4643 7.4643 7.4694 7.4694 7.5336 7.5336 7.5396 7.5396 7.6423 7.6423 7.6423 7.6423 7.7688 7.7688 7.7870 7.7870 7.9429 7.9429 7.9459 7.9459 8.1035 8.1057 k = 0.3571 0.5000 0.5452 ( 16400 PWs) bands (ev): 0.9959 0.9959 0.9960 0.9960 1.8531 1.8531 1.8549 1.8549 2.4810 2.4810 2.4850 2.4850 3.0590 3.0590 3.0605 3.0605 4.9026 4.9026 4.9047 4.9047 5.0142 5.0142 5.0180 5.0180 5.6408 5.6408 5.6413 5.6413 5.9152 5.9152 5.9189 5.9189 6.1455 6.1455 6.1541 6.1541 6.3367 6.3367 6.3403 6.3403 6.6095 6.6095 6.6296 6.6296 6.7034 6.7034 6.7046 6.7046 6.8597 6.8597 6.8745 6.8745 6.9373 6.9373 6.9382 6.9382 7.0617 7.0617 7.0771 7.0771 7.2822 7.2822 7.2874 7.2874 7.4677 7.4677 7.4718 7.4718 7.5340 7.5340 7.5397 7.5397 7.6427 7.6427 7.6429 7.6429 7.7403 7.7403 7.7568 7.7568 7.9361 7.9361 7.9396 7.9396 8.0741 8.0748 k = 0.3810 0.5000 0.5452 ( 16392 PWs) bands (ev): 1.0042 1.0042 1.0042 1.0042 1.8762 1.8762 1.8778 1.8778 2.4522 2.4522 2.4557 2.4557 3.0287 3.0287 3.0300 3.0300 4.9215 4.9215 4.9232 4.9232 5.0382 5.0382 5.0416 5.0416 5.6130 5.6130 5.6133 5.6133 5.8873 5.8873 5.8907 5.8907 6.1925 6.1925 6.2002 6.2002 6.3381 6.3381 6.3411 6.3411 6.6337 6.6337 6.6511 6.6511 6.7058 6.7058 6.7069 6.7069 6.8507 6.8507 6.8648 6.8648 6.9285 6.9285 6.9286 6.9286 7.0549 7.0549 7.0687 7.0687 7.2985 7.2985 7.3046 7.3046 7.4717 7.4717 7.4746 7.4746 7.5353 7.5353 7.5405 7.5405 7.6415 7.6415 7.6420 7.6420 7.7145 7.7145 7.7290 7.7290 7.9294 7.9294 7.9333 7.9333 8.0491 8.0499 k = 0.4048 0.5000 0.5452 ( 16392 PWs) bands (ev): 1.0114 1.0114 1.0114 1.0114 1.8975 1.8975 1.8991 1.8991 2.4263 2.4263 2.4294 2.4294 3.0030 3.0030 3.0040 3.0040 4.9386 4.9386 4.9400 4.9400 5.0593 5.0593 5.0623 5.0623 5.5884 5.5884 5.5885 5.5885 5.8630 5.8630 5.8660 5.8660 6.2368 6.2368 6.2434 6.2434 6.3392 6.3392 6.3417 6.3417 6.6514 6.6514 6.6647 6.6647 6.7059 6.7059 6.7090 6.7090 6.8444 6.8444 6.8564 6.8564 6.9202 6.9202 6.9210 6.9210 7.0498 7.0498 7.0613 7.0613 7.3127 7.3127 7.3188 7.3188 7.4770 7.4770 7.4788 7.4788 7.5370 7.5370 7.5415 7.5415 7.6392 7.6392 7.6397 7.6397 7.6920 7.6920 7.7042 7.7042 7.9229 7.9229 7.9269 7.9269 8.0290 8.0291 k = 0.4286 0.5000 0.5452 ( 16416 PWs) bands (ev): 1.0172 1.0172 1.0173 1.0173 1.9162 1.9162 1.9175 1.9175 2.4044 2.4044 2.4069 2.4069 2.9823 2.9823 2.9830 2.9830 4.9532 4.9532 4.9543 4.9543 5.0770 5.0770 5.0794 5.0794 5.5678 5.5678 5.5679 5.5679 5.8431 5.8431 5.8455 5.8455 6.2763 6.2763 6.2815 6.2815 6.3403 6.3403 6.3424 6.3424 6.6618 6.6618 6.6708 6.6708 6.7048 6.7048 6.7082 6.7082 6.8424 6.8424 6.8510 6.8510 6.9134 6.9134 6.9149 6.9149 7.0467 7.0467 7.0555 7.0555 7.3235 7.3235 7.3289 7.3289 7.4837 7.4837 7.4847 7.4847 7.5387 7.5387 7.5422 7.5422 7.6361 7.6361 7.6363 7.6363 7.6734 7.6734 7.6829 7.6829 7.9168 7.9168 7.9203 7.9203 8.0137 8.0141 k = 0.4524 0.5000 0.5452 ( 16420 PWs) bands (ev): 1.0216 1.0216 1.0216 1.0216 1.9310 1.9310 1.9320 1.9320 2.3876 2.3876 2.3894 2.3894 2.9672 2.9672 2.9677 2.9677 4.9645 4.9645 4.9652 4.9652 5.0904 5.0904 5.0921 5.0921 5.5522 5.5522 5.5523 5.5523 5.8284 5.8284 5.8300 5.8300 6.3080 6.3080 6.3114 6.3114 6.3419 6.3419 6.3438 6.3438 6.6655 6.6655 6.6710 6.6710 6.7029 6.7029 6.7053 6.7053 6.8442 6.8442 6.8490 6.8490 6.9083 6.9083 6.9101 6.9101 7.0453 7.0453 7.0512 7.0512 7.3308 7.3308 7.3348 7.3348 7.4909 7.4909 7.4915 7.4915 7.5404 7.5404 7.5428 7.5428 7.6323 7.6323 7.6325 7.6325 7.6598 7.6598 7.6661 7.6661 7.9116 7.9116 7.9142 7.9142 8.0038 8.0041 k = 0.4762 0.5000 0.5452 ( 16420 PWs) bands (ev): 1.0242 1.0242 1.0242 1.0242 1.9406 1.9406 1.9412 1.9412 2.3771 2.3771 2.3780 2.3780 2.9580 2.9580 2.9582 2.9582 4.9717 4.9717 4.9721 4.9721 5.0990 5.0990 5.0998 5.0998 5.5425 5.5425 5.5425 5.5425 5.8194 5.8194 5.8202 5.8202 6.3271 6.3271 6.3282 6.3282 6.3456 6.3456 6.3473 6.3473 6.6652 6.6652 6.6678 6.6678 6.7017 6.7017 6.7027 6.7027 6.8472 6.8472 6.8491 6.8491 6.9055 6.9055 6.9067 6.9067 7.0454 7.0454 7.0483 7.0483 7.3351 7.3351 7.3372 7.3372 7.4967 7.4967 7.4971 7.4971 7.5420 7.5420 7.5431 7.5431 7.6287 7.6287 7.6292 7.6292 7.6521 7.6521 7.6551 7.6551 7.9082 7.9082 7.9096 7.9096 7.9985 7.9987 k = 0.5000 0.5000 0.5452 ( 16424 PWs) bands (ev): 1.0251 1.0251 1.0251 1.0251 1.9442 1.9442 1.9442 1.9442 2.3738 2.3738 2.3738 2.3738 2.9550 2.9550 2.9550 2.9550 4.9743 4.9743 4.9743 4.9743 5.1022 5.1022 5.1022 5.1022 5.5392 5.5392 5.5392 5.5392 5.8166 5.8166 5.8166 5.8166 6.3321 6.3321 6.3321 6.3321 6.3497 6.3497 6.3497 6.3497 6.6652 6.6652 6.6652 6.6652 6.7016 6.7016 6.7016 6.7016 6.8489 6.8489 6.8489 6.8489 6.9050 6.9050 6.9050 6.9050 7.0464 7.0464 7.0464 7.0464 7.3372 7.3372 7.3372 7.3372 7.4991 7.4991 7.4991 7.4991 7.5429 7.5429 7.5429 7.5429 7.6274 7.6274 7.6274 7.6274 7.6505 7.6505 7.6505 7.6505 7.9075 7.9075 7.9075 7.9075 7.9970 7.9970 k = 0.5000 0.5000 0.5452 ( 16424 PWs) bands (ev): 1.0251 1.0251 1.0251 1.0251 1.9442 1.9442 1.9442 1.9442 2.3738 2.3738 2.3738 2.3738 2.9550 2.9550 2.9550 2.9550 4.9743 4.9743 4.9743 4.9743 5.1022 5.1022 5.1022 5.1022 5.5392 5.5392 5.5392 5.5392 5.8166 5.8166 5.8166 5.8166 6.3321 6.3321 6.3321 6.3321 6.3497 6.3497 6.3497 6.3497 6.6652 6.6652 6.6652 6.6652 6.7016 6.7016 6.7016 6.7016 6.8489 6.8489 6.8489 6.8489 6.9050 6.9050 6.9050 6.9050 7.0464 7.0464 7.0464 7.0464 7.3372 7.3372 7.3372 7.3372 7.4991 7.4991 7.4991 7.4991 7.5429 7.5429 7.5429 7.5429 7.6274 7.6274 7.6274 7.6274 7.6505 7.6505 7.6505 7.6505 7.9075 7.9075 7.9075 7.9075 7.9970 7.9970 k = 0.4833 0.4833 0.5452 ( 16420 PWs) bands (ev): 1.0241 1.0241 1.0244 1.0244 1.9395 1.9395 1.9425 1.9425 2.3747 2.3747 2.3803 2.3803 2.9563 2.9563 2.9598 2.9598 4.9687 4.9687 4.9752 4.9752 5.0963 5.0963 5.1026 5.1026 5.5386 5.5386 5.5462 5.5462 5.8163 5.8163 5.8232 5.8232 6.3281 6.3281 6.3286 6.3286 6.3440 6.3440 6.3478 6.3478 6.6644 6.6644 6.6689 6.6689 6.7015 6.7015 6.7028 6.7028 6.8466 6.8466 6.8495 6.8495 6.9053 6.9053 6.9068 6.9068 7.0437 7.0437 7.0499 7.0499 7.3351 7.3351 7.3374 7.3374 7.4966 7.4966 7.4973 7.4973 7.5410 7.5410 7.5441 7.5441 7.6285 7.6285 7.6295 7.6295 7.6513 7.6513 7.6555 7.6555 7.9082 7.9082 7.9096 7.9096 7.9985 7.9988 k = 0.4667 0.4667 0.5452 ( 16418 PWs) bands (ev): 1.0210 1.0210 1.0221 1.0221 1.9266 1.9266 1.9375 1.9375 2.3775 2.3775 2.3985 2.3985 2.9603 2.9603 2.9740 2.9740 4.9531 4.9531 4.9778 4.9778 5.0795 5.0795 5.1040 5.1040 5.5367 5.5367 5.5662 5.5662 5.8155 5.8155 5.8420 5.8420 6.3144 6.3144 6.3162 6.3162 6.3320 6.3320 6.3421 6.3421 6.6628 6.6628 6.6778 6.6778 6.7018 6.7018 6.7056 6.7056 6.8413 6.8413 6.8504 6.8504 6.9075 6.9075 6.9113 6.9113 7.0366 7.0366 7.0585 7.0585 7.3309 7.3309 7.3365 7.3365 7.4893 7.4893 7.4926 7.4926 7.5360 7.5360 7.5471 7.5471 7.6319 7.6319 7.6353 7.6353 7.6550 7.6550 7.6674 7.6674 7.9116 7.9116 7.9149 7.9149 8.0032 8.0034 k = 0.4500 0.4500 0.5452 ( 16426 PWs) bands (ev): 1.0159 1.0159 1.0183 1.0183 1.9078 1.9078 1.9297 1.9297 2.3821 2.3821 2.4261 2.4261 2.9668 2.9668 2.9970 2.9970 4.9298 4.9298 4.9822 4.9822 5.0537 5.0537 5.1062 5.1062 5.5334 5.5334 5.5959 5.5959 5.8151 5.8151 5.8713 5.8713 6.2871 6.2871 6.2966 6.2966 6.3191 6.3191 6.3337 6.3337 6.6597 6.6597 6.6896 6.6896 6.7024 6.7024 6.7091 6.7091 6.8348 6.8348 6.8513 6.8513 6.9111 6.9111 6.9186 6.9186 7.0249 7.0249 7.0708 7.0708 7.3257 7.3257 7.3346 7.3346 7.4780 7.4780 7.4870 7.4870 7.5286 7.5286 7.5522 7.5522 7.6368 7.6368 7.6446 7.6446 7.6603 7.6603 7.6830 7.6830 7.9182 7.9182 7.9230 7.9230 8.0113 8.0131 k = 0.4333 0.4333 0.5452 ( 16398 PWs) bands (ev): 1.0088 1.0088 1.0127 1.0127 1.8859 1.8859 1.9201 1.9201 2.3885 2.3885 2.4604 2.4604 2.9760 2.9760 3.0279 3.0279 4.9017 4.9017 4.9881 4.9881 5.0213 5.0213 5.1092 5.1092 5.5286 5.5286 5.6309 5.6309 5.8165 5.8165 5.9084 5.9084 6.2506 6.2506 6.2707 6.2707 6.3047 6.3047 6.3228 6.3228 6.6548 6.6548 6.7005 6.7005 6.7036 6.7036 6.7121 6.7121 6.8301 6.8301 6.8519 6.8519 6.9160 6.9160 6.9282 6.9282 7.0091 7.0091 7.0849 7.0849 7.3207 7.3207 7.3320 7.3320 7.4634 7.4634 7.4820 7.4820 7.5199 7.5199 7.5590 7.5590 7.6422 7.6422 7.6563 7.6563 7.6672 7.6672 7.6988 7.6988 7.9283 7.9283 7.9339 7.9339 8.0241 8.0245 k = 0.4167 0.4167 0.5452 ( 16408 PWs) bands (ev): 0.9995 0.9995 1.0053 1.0053 1.8631 1.8631 1.9094 1.9094 2.3967 2.3967 2.4990 2.4990 2.9877 2.9877 3.0657 3.0657 4.8714 4.8714 4.9837 4.9837 4.9965 4.9965 5.1130 5.1130 5.5224 5.5224 5.6648 5.6648 5.8236 5.8236 5.9503 5.9503 6.2082 6.2082 6.2402 6.2402 6.2892 6.2892 6.3089 6.3089 6.6481 6.6481 6.7019 6.7019 6.7071 6.7071 6.7177 6.7177 6.8297 6.8297 6.8519 6.8519 6.9219 6.9219 6.9398 6.9398 6.9903 6.9903 7.0988 7.0988 7.3172 7.3172 7.3288 7.3288 7.4468 7.4468 7.4780 7.4780 7.5108 7.5108 7.5673 7.5673 7.6470 7.6470 7.6669 7.6669 7.6779 7.6779 7.7121 7.7121 7.9426 7.9426 7.9477 7.9477 8.0406 8.0408 k = 0.4000 0.4000 0.5452 ( 16412 PWs) bands (ev): 0.9882 0.9882 0.9959 0.9959 1.8412 1.8412 1.8985 1.8985 2.4066 2.4066 2.5398 2.5398 3.0020 3.0020 3.1092 3.1092 4.8410 4.8410 4.9447 4.9447 5.0053 5.0053 5.1174 5.1174 5.5148 5.5148 5.6896 5.6896 5.8422 5.8422 5.9938 5.9938 6.1618 6.1618 6.2066 6.2066 6.2740 6.2740 6.2919 6.2919 6.6395 6.6395 6.7002 6.7002 6.7038 6.7038 6.7263 6.7263 6.8344 6.8344 6.8510 6.8510 6.9282 6.9282 6.9528 6.9528 6.9698 6.9698 7.1113 7.1113 7.3151 7.3151 7.3256 7.3256 7.4294 7.4294 7.4749 7.4749 7.5018 7.5018 7.5764 7.5764 7.6502 7.6502 7.6737 7.6737 7.6941 7.6941 7.7219 7.7219 7.9596 7.9596 7.9665 7.9665 8.0609 8.0609 k = 0.3833 0.3833 0.5452 ( 16416 PWs) bands (ev): 0.9749 0.9749 0.9844 0.9844 1.8215 1.8215 1.8882 1.8882 2.4182 2.4182 2.5815 2.5815 3.0188 3.0188 3.1572 3.1572 4.8121 4.8121 4.9046 4.9046 5.0159 5.0159 5.1223 5.1223 5.5059 5.5059 5.6997 5.6997 5.8761 5.8761 6.0343 6.0343 6.1126 6.1126 6.1714 6.1714 6.2626 6.2626 6.2717 6.2717 6.6290 6.6290 6.6940 6.6940 6.6992 6.6992 6.7331 6.7331 6.8422 6.8422 6.8508 6.8508 6.9338 6.9338 6.9501 6.9501 6.9669 6.9669 7.1209 7.1209 7.3127 7.3127 7.3241 7.3241 7.4125 7.4125 7.4728 7.4728 7.4936 7.4936 7.5858 7.5858 7.6508 7.6508 7.6789 7.6789 7.7115 7.7115 7.7287 7.7287 7.9775 7.9775 7.9928 7.9928 8.0841 8.0841 k = 0.3667 0.3667 0.5452 ( 16420 PWs) bands (ev): 0.9596 0.9596 0.9708 0.9708 1.8048 1.8048 1.8793 1.8793 2.4315 2.4315 2.6228 2.6228 3.0380 3.0380 3.2086 3.2086 4.7860 4.7860 4.8650 4.8650 5.0277 5.0277 5.1276 5.1276 5.4958 5.4958 5.6973 5.6973 5.9218 5.9218 6.0599 6.0599 6.0666 6.0666 6.1355 6.1355 6.2477 6.2477 6.2612 6.2612 6.6169 6.6169 6.6844 6.6844 6.6937 6.6937 6.7372 6.7372 6.8434 6.8434 6.8598 6.8598 6.9278 6.9278 6.9434 6.9434 6.9816 6.9816 7.1264 7.1264 7.3078 7.3078 7.3264 7.3264 7.3975 7.3975 7.4715 7.4715 7.4865 7.4865 7.5950 7.5950 7.6481 7.6481 7.6830 7.6830 7.7221 7.7221 7.7394 7.7394 7.9973 7.9973 8.0263 8.0263 8.1102 8.1103 k = 0.3500 0.3500 0.5452 ( 16400 PWs) bands (ev): 0.9425 0.9425 0.9551 0.9551 1.7919 1.7919 1.8721 1.8721 2.4462 2.4462 2.6627 2.6627 3.0595 3.0595 3.2623 3.2623 4.7636 4.7636 4.8270 4.8270 5.0406 5.0406 5.1330 5.1330 5.4845 5.4845 5.6867 5.6867 5.9733 5.9733 6.0092 6.0092 6.0788 6.0788 6.1002 6.1002 6.2208 6.2208 6.2756 6.2756 6.6032 6.6032 6.6739 6.6739 6.6854 6.6854 6.7384 6.7384 6.8403 6.8403 6.8745 6.8745 6.9135 6.9135 6.9476 6.9476 6.9967 6.9967 7.1269 7.1269 7.3009 7.3009 7.3317 7.3317 7.3858 7.3858 7.4708 7.4708 7.4811 7.4811 7.6034 7.6034 7.6420 7.6420 7.6864 7.6864 7.7221 7.7221 7.7570 7.7570 8.0197 8.0197 8.0665 8.0665 8.1391 8.1392 k = 0.3333 0.3333 0.5452 ( 16414 PWs) bands (ev): 0.9239 0.9239 0.9374 0.9374 1.7828 1.7828 1.8670 1.8670 2.4625 2.4625 2.7004 2.7004 3.0834 3.0834 3.3172 3.3172 4.7460 4.7460 4.7918 4.7918 5.0542 5.0542 5.1384 5.1384 5.4721 5.4721 5.6708 5.6708 5.9569 5.9569 6.0248 6.0248 6.0680 6.0680 6.0748 6.0748 6.1907 6.1907 6.3057 6.3057 6.5882 6.5882 6.6636 6.6636 6.6740 6.6740 6.7368 6.7368 6.8366 6.8366 6.8901 6.8901 6.9037 6.9037 6.9511 6.9511 7.0122 7.0122 7.1220 7.1220 7.2929 7.2929 7.3388 7.3388 7.3783 7.3783 7.4705 7.4705 7.4777 7.4777 7.6107 7.6107 7.6327 7.6327 7.6890 7.6890 7.7180 7.7180 7.7747 7.7747 8.0452 8.0452 8.1125 8.1125 8.1706 8.1707 k = 0.3167 0.3167 0.5452 ( 16424 PWs) bands (ev): 0.9039 0.9039 0.9178 0.9178 1.7779 1.7779 1.8642 1.8642 2.4800 2.4800 2.7351 2.7351 3.1094 3.1094 3.3720 3.3720 4.7336 4.7336 4.7605 4.7605 5.0681 5.0681 5.1433 5.1433 5.4589 5.4589 5.6509 5.6509 5.9051 5.9051 6.0276 6.0276 6.0587 6.0587 6.0862 6.0862 6.1579 6.1579 6.3439 6.3439 6.5723 6.5723 6.6533 6.6533 6.6609 6.6609 6.7324 6.7324 6.8330 6.8330 6.8950 6.8950 6.9099 6.9099 6.9530 6.9530 7.0279 7.0279 7.1122 7.1122 7.2843 7.2843 7.3470 7.3470 7.3753 7.3753 7.4700 7.4700 7.4770 7.4770 7.6157 7.6157 7.6213 7.6213 7.6909 7.6909 7.7118 7.7118 7.7902 7.7902 8.0742 8.0742 8.1634 8.1634 8.2044 8.2044 k = 0.3000 0.3000 0.5452 ( 16430 PWs) bands (ev): 0.8827 0.8827 0.8968 0.8968 1.7768 1.7768 1.8637 1.8637 2.4989 2.4989 2.7662 2.7662 3.1375 3.1375 3.4256 3.4256 4.7269 4.7269 4.7341 4.7341 5.0819 5.0819 5.1476 5.1476 5.4448 5.4448 5.6278 5.6278 5.8548 5.8548 5.9978 5.9978 6.0374 6.0374 6.1216 6.1216 6.1370 6.1370 6.3823 6.3823 6.5564 6.5564 6.6388 6.6388 6.6526 6.6526 6.7252 6.7252 6.8298 6.8298 6.8942 6.8942 6.9265 6.9265 6.9530 6.9530 7.0437 7.0437 7.0991 7.0991 7.2755 7.2755 7.3559 7.3559 7.3763 7.3763 7.4697 7.4697 7.4786 7.4786 7.6042 7.6042 7.6224 7.6224 7.6921 7.6921 7.7045 7.7045 7.8025 7.8025 8.1067 8.1067 8.2171 8.2171 8.2359 8.2359 k = 0.2833 0.2833 0.5452 ( 16410 PWs) bands (ev): 0.8609 0.8609 0.8746 0.8746 1.7795 1.7795 1.8655 1.8655 2.5188 2.5188 2.7933 2.7933 3.1675 3.1675 3.4767 3.4767 4.7131 4.7131 4.7269 4.7269 5.0948 5.0948 5.1508 5.1508 5.4300 5.4300 5.6021 5.6021 5.8067 5.8067 5.9690 5.9690 6.0132 6.0132 6.0857 6.0857 6.1823 6.1823 6.4146 6.4146 6.5419 6.5419 6.6201 6.6201 6.6521 6.6521 6.7154 6.7154 6.8273 6.8273 6.8966 6.8966 6.9432 6.9432 6.9511 6.9511 7.0589 7.0589 7.0851 7.0851 7.2671 7.2671 7.3649 7.3649 7.3807 7.3807 7.4700 7.4700 7.4818 7.4818 7.5869 7.5869 7.6259 7.6259 7.6924 7.6924 7.6966 7.6966 7.8111 7.8111 8.1422 8.1422 8.2573 8.2573 8.2711 8.2711 k = 0.2667 0.2667 0.5452 ( 16416 PWs) bands (ev): 0.8385 0.8385 0.8516 0.8516 1.7857 1.7857 1.8695 1.8695 2.5397 2.5397 2.8161 2.8161 3.1993 3.1993 3.5242 3.5242 4.6995 4.6995 4.7329 4.7329 5.1061 5.1061 5.1524 5.1524 5.4147 5.4147 5.5743 5.5743 5.7622 5.7622 5.9422 5.9422 5.9880 5.9880 6.0484 6.0484 6.2203 6.2203 6.4348 6.4348 6.5314 6.5314 6.5999 6.5999 6.6605 6.6605 6.7031 6.7031 6.8256 6.8256 6.9019 6.9019 6.9460 6.9460 6.9601 6.9601 7.0646 7.0646 7.0814 7.0814 7.2593 7.2593 7.3740 7.3740 7.3877 7.3877 7.4712 7.4712 7.4864 7.4864 7.5677 7.5677 7.6284 7.6284 7.6874 7.6874 7.6929 7.6929 7.8159 7.8159 8.1799 8.1799 8.2785 8.2785 8.3120 8.3120 k = 0.2500 0.2500 0.5452 ( 16424 PWs) bands (ev): 0.8159 0.8159 0.8282 0.8282 1.7949 1.7949 1.8753 1.8753 2.5614 2.5614 2.8343 2.8343 3.2327 3.2327 3.5668 3.5668 4.6939 4.6939 4.7455 4.7455 5.1148 5.1148 5.1519 5.1519 5.3990 5.3990 5.5449 5.5449 5.7224 5.7224 5.9178 5.9178 5.9627 5.9627 6.0114 6.0114 6.2459 6.2459 6.4396 6.4396 6.5284 6.5284 6.5791 6.5791 6.6782 6.6782 6.6886 6.6886 6.8248 6.8248 6.9094 6.9094 6.9393 6.9393 6.9753 6.9753 7.0553 7.0553 7.0955 7.0955 7.2529 7.2529 7.3831 7.3831 7.3964 7.3964 7.4732 7.4732 7.4919 7.4919 7.5471 7.5471 7.6300 7.6300 7.6789 7.6789 7.6918 7.6918 7.8171 7.8171 8.2183 8.2183 8.2942 8.2942 8.3517 8.3517 k = 0.2333 0.2333 0.5452 ( 16428 PWs) bands (ev): 0.7935 0.7935 0.8048 0.8048 1.8068 1.8068 1.8829 1.8829 2.5836 2.5836 2.8481 2.8481 3.2675 3.2675 3.6035 3.6035 4.6973 4.6973 4.7644 4.7644 5.1196 5.1196 5.1489 5.1489 5.3830 5.3830 5.5145 5.5145 5.6888 5.6888 5.8955 5.8955 5.9379 5.9379 5.9755 5.9755 6.2555 6.2555 6.4297 6.4297 6.5357 6.5357 6.5583 6.5583 6.6711 6.6711 6.7037 6.7037 6.8251 6.8251 6.9177 6.9177 6.9309 6.9309 6.9889 6.9889 7.0491 7.0491 7.1119 7.1119 7.2481 7.2481 7.3924 7.3924 7.4061 7.4061 7.4757 7.4757 7.4979 7.4979 7.5259 7.5259 7.6311 7.6311 7.6706 7.6706 7.6900 7.6900 7.8150 7.8150 8.2556 8.2556 8.3046 8.3046 8.3914 8.3914 k = 0.2167 0.2167 0.5452 ( 16410 PWs) bands (ev): 0.7715 0.7715 0.7816 0.7816 1.8209 1.8209 1.8919 1.8919 2.6063 2.6063 2.8576 2.8576 3.3034 3.3034 3.6335 3.6335 4.7102 4.7102 4.7894 4.7894 5.1194 5.1194 5.1428 5.1428 5.3669 5.3669 5.4837 5.4837 5.6629 5.6629 5.8755 5.8755 5.9141 5.9141 5.9420 5.9420 6.2489 6.2489 6.4077 6.4077 6.5372 6.5372 6.5539 6.5539 6.6522 6.6522 6.7308 6.7308 6.8264 6.8264 6.9157 6.9157 6.9317 6.9317 7.0000 7.0000 7.0499 7.0499 7.1286 7.1286 7.2453 7.2453 7.4023 7.4023 7.4166 7.4166 7.4786 7.4786 7.4995 7.4995 7.5093 7.5093 7.6319 7.6319 7.6626 7.6626 7.6875 7.6875 7.8099 7.8099 8.2889 8.2889 8.3098 8.3098 8.4311 8.4311 k = 0.2000 0.2000 0.5452 ( 16422 PWs) bands (ev): 0.7502 0.7502 0.7591 0.7591 1.8369 1.8369 1.9020 1.9020 2.6291 2.6291 2.8630 2.8630 3.3402 3.3402 3.6566 3.6566 4.7327 4.7327 4.8200 4.8200 5.1135 5.1135 5.1333 5.1333 5.3509 5.3509 5.4529 5.4529 5.6455 5.6455 5.8574 5.8574 5.8914 5.8914 5.9116 5.9116 6.2290 6.2290 6.3763 6.3763 6.5171 6.5171 6.5784 6.5784 6.6316 6.6316 6.7563 6.7563 6.8287 6.8287 6.9028 6.9028 6.9423 6.9423 7.0086 7.0086 7.0588 7.0588 7.1454 7.1454 7.2445 7.2445 7.4128 7.4128 7.4276 7.4276 7.4777 7.4777 7.4843 7.4843 7.5134 7.5134 7.6327 7.6327 7.6552 7.6552 7.6842 7.6842 7.8022 7.8022 8.3067 8.3067 8.3176 8.3176 8.4706 8.4706 k = 0.1833 0.1833 0.5452 ( 16414 PWs) bands (ev): 0.7298 0.7298 0.7375 0.7375 1.8542 1.8542 1.9129 1.9129 2.6518 2.6518 2.8647 2.8647 3.3776 3.3776 3.6730 3.6730 4.7645 4.7645 4.8556 4.8556 5.1018 5.1018 5.1199 5.1199 5.3352 5.3352 5.4228 5.4228 5.6372 5.6372 5.8412 5.8412 5.8701 5.8701 5.8852 5.8852 6.1998 6.1998 6.3374 6.3374 6.4974 6.4974 6.6003 6.6003 6.6149 6.6149 6.7778 6.7778 6.8320 6.8320 6.8881 6.8881 6.9541 6.9541 7.0160 7.0160 7.0744 7.0744 7.1621 7.1621 7.2457 7.2457 7.4239 7.4239 7.4391 7.4391 7.4576 7.4576 7.4860 7.4860 7.5198 7.5198 7.6340 7.6340 7.6486 7.6486 7.6801 7.6801 7.7923 7.7923 8.3013 8.3013 8.3322 8.3322 8.5094 8.5094 k = 0.1667 0.1667 0.5452 ( 16410 PWs) bands (ev): 0.7105 0.7105 0.7170 0.7170 1.8724 1.8724 1.9242 1.9242 2.6741 2.6741 2.8633 2.8633 3.4151 3.4151 3.6832 3.6832 4.8048 4.8048 4.8956 4.8956 5.0847 5.0847 5.1029 5.1029 5.3199 5.3199 5.3938 5.3938 5.6374 5.6374 5.8267 5.8267 5.8504 5.8504 5.8632 5.8632 6.1641 6.1641 6.2924 6.2924 6.4784 6.4784 6.5819 6.5819 6.6370 6.6370 6.7946 6.7946 6.8359 6.8359 6.8730 6.8730 6.9663 6.9663 7.0231 7.0231 7.0948 7.0948 7.1784 7.1784 7.2486 7.2486 7.4330 7.4330 7.4389 7.4389 7.4513 7.4513 7.4893 7.4893 7.5256 7.5256 7.6358 7.6358 7.6430 7.6430 7.6754 7.6754 7.7807 7.7807 8.2901 8.2901 8.3340 8.3340 8.5475 8.5475 k = 0.1500 0.1500 0.5452 ( 16412 PWs) bands (ev): 0.6925 0.6925 0.6979 0.6979 1.8910 1.8910 1.9358 1.9358 2.6957 2.6957 2.8594 2.8594 3.4523 3.4523 3.6882 3.6882 4.8522 4.8522 4.9389 4.9389 5.0638 5.0638 5.0827 5.0827 5.3055 5.3055 5.3664 5.3664 5.6449 5.6449 5.8139 5.8139 5.8327 5.8327 5.8454 5.8454 6.1239 6.1239 6.2423 6.2423 6.4603 6.4603 6.5562 6.5562 6.6632 6.6632 6.8074 6.8074 6.8384 6.8384 6.8600 6.8600 6.9784 6.9784 7.0296 7.0296 7.1187 7.1187 7.1943 7.1943 7.2530 7.2530 7.4150 7.4150 7.4487 7.4487 7.4639 7.4639 7.4927 7.4927 7.5304 7.5304 7.6380 7.6380 7.6390 7.6390 7.6701 7.6701 7.7677 7.7677 8.2749 8.2749 8.3230 8.3230 8.5843 8.5843 k = 0.1333 0.1333 0.5452 ( 16432 PWs) bands (ev): 0.6761 0.6761 0.6803 0.6803 1.9097 1.9097 1.9472 1.9472 2.7163 2.7163 2.8535 2.8535 3.4887 3.4887 3.6893 3.6893 4.9052 4.9052 4.9840 4.9840 5.0406 5.0406 5.0605 5.0605 5.2920 5.2920 5.3411 5.3411 5.6583 5.6583 5.8026 5.8026 5.8171 5.8171 5.8315 5.8315 6.0806 6.0806 6.1882 6.1882 6.4432 6.4432 6.5292 6.5292 6.6871 6.6871 6.8164 6.8164 6.8344 6.8344 6.8552 6.8552 6.9902 6.9902 7.0352 7.0352 7.1445 7.1445 7.2095 7.2095 7.2585 7.2585 7.3955 7.3955 7.4611 7.4611 7.4769 7.4769 7.4962 7.4962 7.5341 7.5341 7.6352 7.6352 7.6420 7.6420 7.6644 7.6644 7.7537 7.7537 8.2568 8.2568 8.3026 8.3026 8.6195 8.6195 k = 0.1167 0.1167 0.5452 ( 16426 PWs) bands (ev): 0.6612 0.6612 0.6645 0.6645 1.9278 1.9278 1.9581 1.9581 2.7356 2.7356 2.8463 2.8463 3.5236 3.5236 3.6873 3.6873 4.9618 4.9618 5.0140 5.0140 5.0231 5.0231 5.0472 5.0472 5.2799 5.2799 5.3185 5.3185 5.6757 5.6757 5.7930 5.7930 5.8036 5.8036 5.8214 5.8214 6.0352 6.0352 6.1312 6.1312 6.4274 6.4274 6.5013 6.5013 6.7077 6.7077 6.8161 6.8161 6.8315 6.8315 6.8580 6.8580 7.0014 7.0014 7.0394 7.0394 7.1706 7.1706 7.2237 7.2237 7.2646 7.2646 7.3773 7.3773 7.4733 7.4733 7.4895 7.4895 7.5003 7.5003 7.5368 7.5368 7.6332 7.6332 7.6463 7.6463 7.6586 7.6586 7.7394 7.7394 8.2371 8.2371 8.2769 8.2769 8.6526 8.6526 k = 0.1000 0.1000 0.5452 ( 16414 PWs) bands (ev): 0.6481 0.6481 0.6505 0.6505 1.9448 1.9448 1.9683 1.9683 2.7532 2.7532 2.8383 2.8383 3.5564 3.5564 3.6836 3.6836 4.9892 4.9892 5.0046 5.0046 5.0250 5.0250 5.0853 5.0853 5.2697 5.2697 5.2992 5.2992 5.6955 5.6955 5.7849 5.7849 5.7920 5.7920 5.8145 5.8145 5.9887 5.9887 6.0723 6.0723 6.4130 6.4130 6.4736 6.4736 6.7251 6.7251 6.8057 6.8057 6.8374 6.8374 6.8621 6.8621 7.0118 7.0118 7.0424 7.0424 7.1958 7.1958 7.2371 7.2371 7.2710 7.2710 7.3606 7.3606 7.4841 7.4841 7.4983 7.4983 7.5082 7.5082 7.5393 7.5393 7.6320 7.6320 7.6499 7.6499 7.6540 7.6540 7.7252 7.7252 8.2170 8.2170 8.2492 8.2492 8.6829 8.6829 k = 0.0833 0.0833 0.5452 ( 16420 PWs) bands (ev): 0.6368 0.6368 0.6386 0.6386 1.9604 1.9604 1.9774 1.9774 2.7688 2.7688 2.8303 2.8303 3.5862 3.5862 3.6789 3.6789 4.9685 4.9685 4.9812 4.9812 5.0822 5.0822 5.1303 5.1303 5.2623 5.2623 5.2845 5.2845 5.7156 5.7156 5.7783 5.7783 5.7826 5.7826 5.8103 5.8103 5.9425 5.9425 6.0129 6.0129 6.4002 6.4002 6.4467 6.4467 6.7390 6.7390 6.7948 6.7948 6.8444 6.8444 6.8660 6.8660 7.0212 7.0212 7.0442 7.0442 7.2187 7.2187 7.2495 7.2495 7.2774 7.2774 7.3456 7.3456 7.4927 7.4927 7.5023 7.5023 7.5204 7.5204 7.5424 7.5424 7.6314 7.6314 7.6463 7.6463 7.6574 7.6574 7.7117 7.7117 8.1976 8.1976 8.2221 8.2221 8.7098 8.7098 k = 0.0667 0.0667 0.5452 ( 16432 PWs) bands (ev): 0.6275 0.6275 0.6286 0.6286 1.9739 1.9739 1.9853 1.9853 2.7820 2.7820 2.8227 2.8227 3.6123 3.6123 3.6740 3.6740 4.9493 4.9493 4.9588 4.9588 5.1366 5.1366 5.1700 5.1700 5.2595 5.2595 5.2768 5.2768 5.7340 5.7340 5.7722 5.7722 5.7770 5.7770 5.8080 5.8080 5.8980 5.8980 5.9548 5.9548 6.3893 6.3893 6.4219 6.4219 6.7499 6.7499 6.7854 6.7854 6.8512 6.8512 6.8692 6.8692 7.0292 7.0292 7.0451 7.0451 7.2382 7.2382 7.2610 7.2610 7.2834 7.2834 7.3324 7.3324 7.4984 7.4984 7.5048 7.5048 7.5325 7.5325 7.5468 7.5468 7.6308 7.6308 7.6414 7.6414 7.6625 7.6625 7.6997 7.6997 8.1800 8.1800 8.1974 8.1974 8.7329 8.7329 k = 0.0500 0.0500 0.5452 ( 16430 PWs) bands (ev): 0.6202 0.6202 0.6208 0.6208 1.9851 1.9851 1.9916 1.9916 2.7927 2.7927 2.8162 2.8162 3.6337 3.6337 3.6696 3.6696 4.9335 4.9335 4.9395 4.9395 5.1789 5.1789 5.1967 5.1967 5.2664 5.2664 5.2810 5.2810 5.7470 5.7470 5.7663 5.7663 5.7776 5.7776 5.8069 5.8069 5.8577 5.8577 5.9005 5.9005 6.3806 6.3806 6.4004 6.4004 6.7580 6.7580 6.7779 6.7779 6.8575 6.8575 6.8714 6.8714 7.0357 7.0357 7.0454 7.0454 7.2535 7.2535 7.2716 7.2716 7.2887 7.2887 7.3212 7.3212 7.5018 7.5018 7.5062 7.5062 7.5431 7.5431 7.5521 7.5521 7.6303 7.6303 7.6372 7.6372 7.6672 7.6672 7.6897 7.6897 8.1653 8.1653 8.1764 8.1764 8.7514 8.7514 k = 0.0333 0.0333 0.5452 ( 16430 PWs) bands (ev): 0.6149 0.6149 0.6152 0.6152 1.9933 1.9933 1.9963 1.9963 2.8005 2.8005 2.8112 2.8112 3.6497 3.6497 3.6661 3.6661 4.9218 4.9218 4.9248 4.9248 5.2004 5.2004 5.2072 5.2072 5.2876 5.2876 5.2974 5.2974 5.7526 5.7526 5.7617 5.7617 5.7837 5.7837 5.8059 5.8059 5.8251 5.8251 5.8540 5.8540 6.3742 6.3742 6.3836 6.3836 6.7635 6.7635 6.7724 6.7724 6.8629 6.8629 6.8723 6.8723 7.0405 7.0405 7.0454 7.0454 7.2650 7.2650 7.2795 7.2795 7.2934 7.2934 7.3123 7.3123 7.5038 7.5038 7.5066 7.5066 7.5515 7.5515 7.5570 7.5570 7.6297 7.6297 7.6340 7.6340 7.6710 7.6710 7.6824 7.6824 8.1542 8.1542 8.1604 8.1604 8.7651 8.7651 k = 0.0167 0.0167 0.5452 ( 16406 PWs) bands (ev): 0.6118 0.6118 0.6118 0.6118 1.9984 1.9984 1.9992 1.9992 2.8052 2.8052 2.8080 2.8080 3.6597 3.6597 3.6639 3.6639 4.9146 4.9146 4.9155 4.9155 5.2071 5.2071 5.2091 5.2091 5.3111 5.3111 5.3141 5.3141 5.7544 5.7544 5.7583 5.7583 5.7901 5.7901 5.7996 5.7996 5.8096 5.8096 5.8210 5.8210 6.3703 6.3703 6.3728 6.3728 6.7667 6.7667 6.7691 6.7691 6.8672 6.8672 6.8720 6.8720 7.0435 7.0435 7.0452 7.0452 7.2736 7.2736 7.2824 7.2824 7.2978 7.2978 7.3059 7.3059 7.5051 7.5051 7.5064 7.5064 7.5572 7.5572 7.5600 7.5600 7.6296 7.6296 7.6316 7.6316 7.6736 7.6736 7.6778 7.6778 8.1475 8.1475 8.1501 8.1501 8.7736 8.7740 k = 0.0000 0.0000 0.5452 ( 16414 PWs) bands (ev): 0.6107 0.6107 0.6107 0.6107 2.0001 2.0001 2.0001 2.0001 2.8069 2.8069 2.8069 2.8069 3.6631 3.6631 3.6631 3.6631 4.9123 4.9123 4.9123 4.9123 5.2088 5.2088 5.2088 5.2088 5.3208 5.3208 5.3208 5.3208 5.7560 5.7560 5.7560 5.7560 5.7930 5.7930 5.7930 5.7930 5.8084 5.8084 5.8084 5.8084 6.3690 6.3690 6.3690 6.3690 6.7679 6.7679 6.7679 6.7679 6.8703 6.8703 6.8703 6.8703 7.0448 7.0448 7.0448 7.0448 7.2797 7.2797 7.2797 7.2797 7.3017 7.3017 7.3017 7.3017 7.5059 7.5059 7.5059 7.5059 7.5601 7.5601 7.5601 7.5601 7.6301 7.6301 7.6301 7.6301 7.6754 7.6754 7.6754 7.6754 8.1459 8.1459 8.1459 8.1459 8.7774 8.7774 k = 0.0000 0.5000-0.0000 ( 16400 PWs) bands (ev): 0.4673 0.4673 0.4673 0.4673 2.5887 2.5887 2.5887 2.5887 2.6039 2.6039 2.6039 2.6039 3.8333 3.8333 3.8333 3.8333 3.8972 3.8972 3.8972 3.8972 4.5080 4.5080 4.5080 4.5080 5.4712 5.4712 5.4712 5.4712 5.7245 5.7245 5.7245 5.7245 6.0732 6.0732 6.0732 6.0732 6.3143 6.3143 6.3143 6.3143 6.4321 6.4321 6.4321 6.4321 6.4686 6.4686 6.4686 6.4686 6.7267 6.7267 6.7267 6.7267 6.9943 6.9943 6.9943 6.9943 7.0861 7.0861 7.0861 7.0861 7.2055 7.2055 7.2055 7.2055 7.3240 7.3240 7.3240 7.3240 7.8846 7.8846 7.8846 7.8846 8.0699 8.0699 8.0699 8.0699 8.4449 8.4449 8.4449 8.4449 8.8219 8.8219 8.8219 8.8219 8.9975 8.9975 k = 0.0000 0.5000 0.0237 ( 16390 PWs) bands (ev): 0.4686 0.4686 0.4686 0.4686 2.5678 2.5678 2.5680 2.5680 2.6208 2.6208 2.6216 2.6216 3.8333 3.8333 3.8337 3.8337 3.8955 3.8955 3.8975 3.8975 4.5133 4.5133 4.5149 4.5149 5.4722 5.4722 5.4729 5.4729 5.7183 5.7183 5.7237 5.7237 6.0741 6.0741 6.0788 6.0788 6.3140 6.3140 6.3152 6.3152 6.4266 6.4266 6.4286 6.4286 6.4711 6.4711 6.4735 6.4735 6.7266 6.7266 6.7269 6.7269 6.9835 6.9835 6.9942 6.9942 7.0890 7.0890 7.0972 7.0972 7.2058 7.2058 7.2066 7.2066 7.3247 7.3247 7.3250 7.3250 7.8826 7.8826 7.8836 7.8836 8.0650 8.0650 8.0654 8.0654 8.4419 8.4419 8.4453 8.4453 8.8127 8.8127 8.8231 8.8231 8.9868 8.9871 k = 0.0000 0.5000 0.0474 ( 16394 PWs) bands (ev): 0.4724 0.4724 0.4725 0.4725 2.5372 2.5372 2.5373 2.5373 2.6408 2.6408 2.6420 2.6420 3.8327 3.8327 3.8335 3.8335 3.8934 3.8934 3.8974 3.8974 4.5306 4.5306 4.5336 4.5336 5.4757 5.4757 5.4771 5.4771 5.7058 5.7058 5.7160 5.7160 6.0817 6.0817 6.0903 6.0903 6.3143 6.3143 6.3167 6.3167 6.4163 6.4163 6.4186 6.4186 6.4784 6.4784 6.4817 6.4817 6.7267 6.7267 6.7272 6.7272 6.9673 6.9673 6.9843 6.9843 7.1048 7.1048 7.1169 7.1169 7.2075 7.2075 7.2091 7.2091 7.3271 7.3271 7.3277 7.3277 7.8776 7.8776 7.8798 7.8798 8.0510 8.0510 8.0519 8.0519 8.4357 8.4357 8.4421 8.4421 8.7979 8.7979 8.8168 8.8168 8.9678 8.9681 k = 0.0000 0.5000 0.0711 ( 16390 PWs) bands (ev): 0.4788 0.4788 0.4789 0.4789 2.5022 2.5022 2.5024 2.5024 2.6585 2.6585 2.6602 2.6602 3.8291 3.8291 3.8302 3.8302 3.8942 3.8942 3.8998 3.8998 4.5590 4.5590 4.5633 4.5633 5.4815 5.4815 5.4838 5.4838 5.6882 5.6882 5.7020 5.7020 6.0952 6.0952 6.1068 6.1068 6.3149 6.3149 6.3186 6.3186 6.4045 6.4045 6.4061 6.4061 6.4868 6.4868 6.4900 6.4900 6.7269 6.7269 6.7277 6.7277 6.9498 6.9498 6.9703 6.9703 7.1275 7.1275 7.1409 7.1409 7.2107 7.2107 7.2130 7.2130 7.3310 7.3310 7.3321 7.3321 7.8695 7.8695 7.8728 7.8728 8.0292 8.0292 8.0308 8.0308 8.4242 8.4242 8.4329 8.4329 8.7814 8.7814 8.8061 8.8061 8.9400 8.9403 k = 0.0000 0.5000 0.0948 ( 16404 PWs) bands (ev): 0.4877 0.4877 0.4878 0.4878 2.4631 2.4631 2.4634 2.4634 2.6742 2.6742 2.6765 2.6765 3.8205 3.8205 3.8214 3.8214 3.9011 3.9011 3.9076 3.9076 4.5972 4.5972 4.6024 4.6024 5.4889 5.4889 5.4924 5.4924 5.6670 5.6670 5.6829 5.6829 6.1135 6.1135 6.1270 6.1270 6.3154 6.3154 6.3206 6.3206 6.3929 6.3929 6.3932 6.3932 6.4945 6.4945 6.4974 6.4974 6.7272 6.7272 6.7284 6.7284 6.9331 6.9331 6.9558 6.9558 7.1535 7.1535 7.1671 7.1671 7.2156 7.2156 7.2186 7.2186 7.3366 7.3366 7.3382 7.3382 7.8581 7.8581 7.8626 7.8626 8.0013 8.0013 8.0038 8.0038 8.4055 8.4055 8.4152 8.4152 8.7661 8.7661 8.7946 8.7946 8.9043 8.9044 k = 0.0000 0.5000 0.1185 ( 16412 PWs) bands (ev): 0.4990 0.4990 0.4991 0.4991 2.4202 2.4202 2.4205 2.4205 2.6884 2.6884 2.6912 2.6912 3.8071 3.8071 3.8077 3.8077 3.9144 3.9144 3.9212 3.9212 4.6438 4.6438 4.6498 4.6498 5.4966 5.4966 5.5020 5.5020 5.6441 5.6441 5.6604 5.6604 6.1356 6.1356 6.1499 6.1499 6.3151 6.3151 6.3220 6.3220 6.3813 6.3813 6.3827 6.3827 6.5012 6.5012 6.5035 6.5035 6.7279 6.7279 6.7294 6.7294 6.9180 6.9180 6.9423 6.9423 7.1800 7.1800 7.1930 7.1930 7.2235 7.2235 7.2265 7.2265 7.3435 7.3435 7.3457 7.3457 7.8430 7.8430 7.8488 7.8488 7.9690 7.9690 7.9728 7.9728 8.3780 8.3780 8.3877 8.3877 8.7519 8.7519 8.7827 8.7827 8.8646 8.8647 k = 0.0000 0.5000 0.1422 ( 16418 PWs) bands (ev): 0.5128 0.5128 0.5129 0.5129 2.3739 2.3739 2.3741 2.3741 2.7014 2.7014 2.7047 2.7047 3.7903 3.7903 3.7907 3.7907 3.9329 3.9329 3.9399 3.9399 4.6976 4.6976 4.7040 4.7040 5.5016 5.5016 5.5104 5.5104 5.6231 5.6231 5.6374 5.6374 6.1603 6.1603 6.1746 6.1746 6.3128 6.3128 6.3212 6.3212 6.3723 6.3723 6.3752 6.3752 6.5065 6.5065 6.5083 6.5083 6.7288 6.7288 6.7308 6.7308 6.9050 6.9050 6.9304 6.9304 7.2037 7.2037 7.2130 7.2130 7.2393 7.2393 7.2394 7.2394 7.3517 7.3517 7.3547 7.3547 7.8238 7.8238 7.8307 7.8307 7.9344 7.9344 7.9397 7.9397 8.3418 8.3418 8.3508 8.3508 8.7346 8.7346 8.7648 8.7648 8.8293 8.8294 k = 0.0000 0.5000 0.1659 ( 16414 PWs) bands (ev): 0.5289 0.5289 0.5290 0.5290 2.3245 2.3245 2.3247 2.3247 2.7135 2.7135 2.7174 2.7174 3.7715 3.7715 3.7718 3.7718 3.9555 3.9555 3.9628 3.9628 4.7572 4.7572 4.7639 4.7639 5.4979 5.4979 5.5121 5.5121 5.6099 5.6099 5.6196 5.6196 6.1866 6.1866 6.2002 6.2002 6.3077 6.3077 6.3168 6.3168 6.3680 6.3680 6.3717 6.3717 6.5107 6.5107 6.5119 6.5119 6.7302 6.7302 6.7326 6.7326 6.8942 6.8942 6.9206 6.9206 7.2196 7.2196 7.2239 7.2239 7.2611 7.2611 7.2655 7.2655 7.3611 7.3611 7.3649 7.3649 7.7996 7.7996 7.8076 7.8076 7.8998 7.8998 7.9064 7.9064 8.2982 8.2982 8.3064 8.3064 8.7074 8.7074 8.7300 8.7300 8.8100 8.8100 k = 0.0000 0.5000 0.1896 ( 16418 PWs) bands (ev): 0.5473 0.5473 0.5474 0.5474 2.2727 2.2727 2.2728 2.2728 2.7251 2.7251 2.7295 2.7295 3.7515 3.7515 3.7520 3.7520 3.9819 3.9819 3.9893 3.9893 4.8216 4.8216 4.8285 4.8285 5.4798 5.4798 5.4993 5.4993 5.6105 5.6105 5.6150 5.6150 6.2135 6.2135 6.2257 6.2257 6.2998 6.2998 6.3086 6.3086 6.3689 6.3689 6.3723 6.3723 6.5140 6.5140 6.5149 6.5149 6.7322 6.7322 6.7352 6.7352 6.8857 6.8857 6.9126 6.9126 7.2293 7.2293 7.2314 7.2314 7.2892 7.2892 7.2956 7.2956 7.3713 7.3713 7.3761 7.3761 7.7701 7.7701 7.7786 7.7786 7.8673 7.8673 7.8747 7.8747 8.2491 8.2491 8.2567 8.2567 8.6684 8.6684 8.6824 8.6824 8.8021 8.8024 k = 0.0000 0.5000 0.2133 ( 16416 PWs) bands (ev): 0.5678 0.5678 0.5679 0.5679 2.2189 2.2189 2.2189 2.2189 2.7363 2.7363 2.7411 2.7411 3.7310 3.7310 3.7317 3.7317 4.0114 4.0114 4.0191 4.0191 4.8899 4.8899 4.8967 4.8967 5.4492 5.4492 5.4710 5.4710 5.6228 5.6228 5.6247 5.6247 6.2397 6.2397 6.2500 6.2500 6.2903 6.2903 6.2986 6.2986 6.3735 6.3735 6.3762 6.3762 6.5169 6.5169 6.5177 6.5177 6.7350 6.7350 6.7387 6.7387 6.8793 6.8793 6.9065 6.9065 7.2360 7.2360 7.2374 7.2374 7.3194 7.3194 7.3267 7.3267 7.3822 7.3822 7.3881 7.3881 7.7358 7.7358 7.7440 7.7440 7.8378 7.8378 7.8454 7.8454 8.1966 8.1966 8.2038 8.2038 8.6217 8.6217 8.6304 8.6304 8.7964 8.7965 k = 0.0000 0.5000 0.2370 ( 16426 PWs) bands (ev): 0.5903 0.5903 0.5904 0.5904 2.1635 2.1635 2.1636 2.1636 2.7471 2.7471 2.7524 2.7524 3.7103 3.7103 3.7115 3.7115 4.0440 4.0440 4.0518 4.0518 4.9611 4.9611 4.9676 4.9676 5.4107 5.4107 5.4329 5.4329 5.6421 5.6421 5.6432 5.6432 6.2626 6.2626 6.2703 6.2703 6.2821 6.2821 6.2896 6.2896 6.3805 6.3805 6.3824 6.3824 6.5200 6.5200 6.5211 6.5211 6.7388 6.7388 6.7434 6.7434 6.8748 6.8748 6.9020 6.9020 7.2402 7.2402 7.2416 7.2416 7.3497 7.3497 7.3575 7.3575 7.3934 7.3934 7.4006 7.4006 7.6984 7.6984 7.7058 7.7058 7.8109 7.8109 7.8182 7.8182 8.1425 8.1425 8.1501 8.1501 8.5715 8.5715 8.5771 8.5771 8.7889 8.7889 k = 0.0000 0.5000 0.2607 ( 16426 PWs) bands (ev): 0.6146 0.6146 0.6147 0.6147 2.1073 2.1073 2.1076 2.1076 2.7577 2.7577 2.7634 2.7634 3.6900 3.6900 3.6916 3.6916 4.0794 4.0794 4.0873 4.0873 5.0344 5.0344 5.0401 5.0401 5.3672 5.3672 5.3893 5.3893 5.6656 5.6656 5.6663 5.6663 6.2675 6.2675 6.2701 6.2701 6.2935 6.2935 6.2939 6.2939 6.3889 6.3889 6.3898 6.3898 6.5240 6.5240 6.5258 6.5258 6.7440 6.7440 6.7497 6.7497 6.8718 6.8718 6.8989 6.8989 7.2416 7.2416 7.2433 7.2433 7.3784 7.3784 7.3869 7.3869 7.4047 7.4047 7.4133 7.4133 7.6602 7.6602 7.6665 7.6665 7.7857 7.7857 7.7924 7.7924 8.0891 8.0891 8.0976 8.0976 8.5203 8.5203 8.5240 8.5240 8.7776 8.7776 k = 0.0000 0.5000 0.2844 ( 16448 PWs) bands (ev): 0.6406 0.6406 0.6407 0.6407 2.0509 2.0509 2.0512 2.0512 2.7681 2.7681 2.7740 2.7740 3.6701 3.6701 3.6722 3.6722 4.1176 4.1176 4.1254 4.1254 5.1087 5.1087 5.1126 5.1126 5.3201 5.3201 5.3429 5.3429 5.6917 5.6917 5.6922 5.6922 6.2581 6.2581 6.2628 6.2628 6.3095 6.3095 6.3095 6.3095 6.3974 6.3974 6.3979 6.3979 6.5297 6.5297 6.5323 6.5323 6.7511 6.7511 6.7582 6.7582 6.8699 6.8699 6.8967 6.8967 7.2394 7.2394 7.2416 7.2416 7.4033 7.4033 7.4101 7.4101 7.4192 7.4192 7.4266 7.4266 7.6240 7.6240 7.6292 7.6292 7.7611 7.7611 7.7668 7.7668 8.0388 8.0388 8.0489 8.0489 8.4693 8.4693 8.4717 8.4717 8.7620 8.7620 k = 0.0000 0.5000 0.3081 ( 16448 PWs) bands (ev): 0.6679 0.6679 0.6680 0.6680 1.9947 1.9947 1.9952 1.9952 2.7781 2.7781 2.7843 2.7843 3.6509 3.6509 3.6536 3.6536 4.1582 4.1582 4.1661 4.1661 5.1801 5.1801 5.1826 5.1826 5.2711 5.2711 5.2987 5.2987 5.7198 5.7198 5.7200 5.7200 6.2492 6.2492 6.2545 6.2545 6.3217 6.3217 6.3235 6.3235 6.4036 6.4036 6.4058 6.4058 6.5376 6.5376 6.5408 6.5408 6.7607 6.7607 6.7693 6.7693 6.8688 6.8688 6.8954 6.8954 7.2327 7.2327 7.2355 7.2355 7.4203 7.4203 7.4204 7.4204 7.4404 7.4404 7.4411 7.4411 7.5939 7.5939 7.5976 7.5976 7.7356 7.7356 7.7401 7.7401 7.9943 7.9943 8.0067 8.0067 8.4194 8.4194 8.4208 8.4208 8.7420 8.7420 k = 0.0000 0.5000 0.3318 ( 16448 PWs) bands (ev): 0.6963 0.6963 0.6964 0.6964 1.9395 1.9395 1.9401 1.9401 2.7878 2.7878 2.7942 2.7942 3.6327 3.6327 3.6359 3.6359 4.2014 4.2014 4.2091 4.2091 5.2060 5.2060 5.2124 5.2124 5.2629 5.2629 5.2931 5.2931 5.7493 5.7493 5.7494 5.7494 6.2414 6.2414 6.2473 6.2473 6.3308 6.3308 6.3341 6.3341 6.4073 6.4073 6.4113 6.4113 6.5473 6.5473 6.5507 6.5507 6.7735 6.7735 6.7836 6.7836 6.8683 6.8683 6.8946 6.8946 7.2209 7.2209 7.2243 7.2243 7.4247 7.4247 7.4276 7.4276 7.4535 7.4535 7.4563 7.4563 7.5755 7.5755 7.5771 7.5771 7.7078 7.7078 7.7107 7.7107 7.9589 7.9589 7.9741 7.9741 8.3713 8.3713 8.3718 8.3718 8.7182 8.7182 k = 0.0000 0.5000 0.3555 ( 16444 PWs) bands (ev): 0.7253 0.7253 0.7254 0.7254 1.8859 1.8859 1.8866 1.8866 2.7970 2.7970 2.8036 2.8036 3.6156 3.6156 3.6194 3.6194 4.2469 4.2469 4.2543 4.2543 5.1605 5.1605 5.1648 5.1648 5.3326 5.3326 5.3505 5.3505 5.7798 5.7798 5.7804 5.7804 6.2349 6.2349 6.2415 6.2415 6.3369 6.3369 6.3414 6.3414 6.4078 6.4078 6.4131 6.4131 6.5578 6.5578 6.5609 6.5609 6.7901 6.7901 6.8013 6.8013 6.8681 6.8681 6.8944 6.8944 7.2046 7.2046 7.2084 7.2084 7.4213 7.4213 7.4234 7.4234 7.4609 7.4609 7.4638 7.4638 7.5721 7.5721 7.5732 7.5732 7.6768 7.6768 7.6777 7.6777 7.9350 7.9350 7.9528 7.9528 8.3250 8.3250 8.3255 8.3255 8.6914 8.6914 k = 0.0000 0.5000 0.3792 ( 16446 PWs) bands (ev): 0.7544 0.7544 0.7545 0.7545 1.8346 1.8346 1.8353 1.8353 2.8056 2.8056 2.8124 2.8124 3.5999 3.5999 3.6043 3.6043 4.2945 4.2945 4.3017 4.3017 5.1046 5.1046 5.1102 5.1102 5.4014 5.4014 5.4166 5.4166 5.8117 5.8117 5.8129 5.8129 6.2298 6.2298 6.2372 6.2372 6.3398 6.3398 6.3455 6.3455 6.4051 6.4051 6.4112 6.4112 6.5678 6.5678 6.5704 6.5704 6.8107 6.8107 6.8219 6.8219 6.8681 6.8681 6.8952 6.8952 7.1847 7.1847 7.1888 7.1888 7.4078 7.4078 7.4080 7.4080 7.4656 7.4656 7.4672 7.4672 7.5769 7.5769 7.5819 7.5819 7.6439 7.6439 7.6462 7.6462 7.9227 7.9227 7.9425 7.9425 8.2812 8.2812 8.2830 8.2830 8.6625 8.6625 k = 0.0000 0.5000 0.4029 ( 16444 PWs) bands (ev): 0.7831 0.7831 0.7831 0.7831 1.7864 1.7864 1.7873 1.7873 2.8135 2.8135 2.8203 2.8203 3.5858 3.5858 3.5906 3.5906 4.3442 4.3442 4.3510 4.3510 5.0472 5.0472 5.0523 5.0523 5.4655 5.4655 5.4796 5.4796 5.8455 5.8455 5.8474 5.8474 6.2261 6.2261 6.2344 6.2344 6.3385 6.3385 6.3458 6.3458 6.4000 6.4000 6.4061 6.4061 6.5762 6.5762 6.5784 6.5784 6.8345 6.8345 6.8432 6.8432 6.8686 6.8686 6.8984 6.8984 7.1633 7.1633 7.1676 7.1676 7.3869 7.3869 7.3876 7.3876 7.4680 7.4680 7.4694 7.4694 7.5698 7.5698 7.5800 7.5800 7.6268 7.6268 7.6329 7.6329 7.9199 7.9199 7.9405 7.9405 8.2410 8.2410 8.2447 8.2447 8.6329 8.6329 k = 0.0000 0.5000 0.4266 ( 16448 PWs) bands (ev): 0.8103 0.8103 0.8104 0.8104 1.7423 1.7423 1.7433 1.7433 2.8205 2.8205 2.8274 2.8274 3.5735 3.5735 3.5787 3.5787 4.3957 4.3957 4.4020 4.4020 4.9889 4.9889 4.9930 4.9930 5.5226 5.5226 5.5362 5.5362 5.8817 5.8817 5.8843 5.8843 6.2237 6.2237 6.2328 6.2328 6.3311 6.3311 6.3402 6.3402 6.3943 6.3943 6.3997 6.3997 6.5827 6.5827 6.5847 6.5847 6.8562 6.8562 6.8597 6.8597 6.8739 6.8739 6.9086 6.9086 7.1426 7.1426 7.1469 7.1469 7.3651 7.3651 7.3658 7.3658 7.4649 7.4649 7.4678 7.4678 7.5428 7.5428 7.5537 7.5537 7.6406 7.6406 7.6450 7.6450 7.9227 7.9227 7.9431 7.9431 8.2057 8.2057 8.2119 8.2119 8.6036 8.6036 k = 0.0000 0.5000 0.4503 ( 16458 PWs) bands (ev): 0.8353 0.8353 0.8353 0.8353 1.7035 1.7035 1.7045 1.7045 2.8265 2.8265 2.8334 2.8334 3.5630 3.5630 3.5687 3.5687 4.4488 4.4488 4.4546 4.4546 4.9301 4.9301 4.9332 4.9332 5.5708 5.5708 5.5841 5.5841 5.9206 5.9206 5.9240 5.9240 6.2223 6.2223 6.2322 6.2322 6.3157 6.3157 6.3268 6.3268 6.3900 6.3900 6.3946 6.3946 6.5873 6.5873 6.5895 6.5895 6.8621 6.8621 6.8671 6.8671 6.8962 6.8962 6.9285 6.9285 7.1241 7.1241 7.1285 7.1285 7.3454 7.3454 7.3454 7.3454 7.4501 7.4501 7.4548 7.4548 7.5201 7.5201 7.5318 7.5318 7.6619 7.6619 7.6651 7.6651 7.9273 7.9273 7.9463 7.9463 8.1765 8.1765 8.1863 8.1863 8.5760 8.5760 k = 0.0000 0.5000 0.4740 ( 16454 PWs) bands (ev): 0.8567 0.8567 0.8567 0.8567 1.6712 1.6712 1.6723 1.6723 2.8313 2.8313 2.8382 2.8382 3.5547 3.5547 3.5607 3.5607 4.5030 4.5030 4.5081 4.5081 4.8716 4.8716 4.8734 4.8734 5.6087 5.6087 5.6216 5.6216 5.9614 5.9614 5.9660 5.9660 6.2216 6.2216 6.2321 6.2321 6.2923 6.2923 6.3054 6.3054 6.3878 6.3878 6.3917 6.3917 6.5905 6.5905 6.5930 6.5930 6.8623 6.8623 6.8687 6.8687 6.9229 6.9229 6.9529 6.9529 7.1091 7.1091 7.1136 7.1136 7.3289 7.3289 7.3302 7.3302 7.4229 7.4229 7.4277 7.4277 7.5117 7.5117 7.5227 7.5227 7.6833 7.6833 7.6857 7.6857 7.9305 7.9305 7.9470 7.9470 8.1547 8.1547 8.1689 8.1689 8.5518 8.5518 k = 0.0000 0.5000 0.4978 ( 16434 PWs) bands (ev): 0.8732 0.8732 0.8733 0.8733 1.6467 1.6467 1.6479 1.6479 2.8349 2.8349 2.8418 2.8418 3.5487 3.5487 3.5549 3.5549 4.5573 4.5573 4.5618 4.5618 4.8142 4.8142 4.8151 4.8151 5.6356 5.6356 5.6481 5.6481 6.0015 6.0015 6.0075 6.0075 6.2213 6.2213 6.2318 6.2318 6.2641 6.2641 6.2796 6.2796 6.3868 6.3868 6.3904 6.3904 6.5926 6.5926 6.5955 6.5955 6.8619 6.8619 6.8684 6.8684 6.9463 6.9463 6.9755 6.9755 7.0981 7.0981 7.1028 7.1028 7.3180 7.3180 7.3214 7.3214 7.3922 7.3922 7.3978 7.3978 7.5104 7.5104 7.5204 7.5204 7.7017 7.7017 7.7037 7.7037 7.9308 7.9308 7.9445 7.9445 8.1408 8.1408 8.1595 8.1595 8.5327 8.5327 k = 0.0000 0.5000 0.5215 ( 16428 PWs) bands (ev): 0.8838 0.8838 0.8838 0.8838 1.6315 1.6315 1.6326 1.6326 2.8370 2.8370 2.8439 2.8439 3.5450 3.5450 3.5513 3.5513 4.6082 4.6082 4.6123 4.6123 4.7615 4.7615 4.7616 4.7616 5.6514 5.6514 5.6637 5.6637 6.0340 6.0340 6.0422 6.0422 6.2207 6.2207 6.2304 6.2304 6.2381 6.2381 6.2572 6.2572 6.3865 6.3865 6.3900 6.3900 6.5938 6.5938 6.5970 6.5970 6.8616 6.8616 6.8678 6.8678 6.9626 6.9626 6.9917 6.9917 7.0911 7.0911 7.0962 7.0962 7.3133 7.3133 7.3200 7.3200 7.3664 7.3664 7.3744 7.3744 7.5107 7.5107 7.5202 7.5202 7.7144 7.7144 7.7162 7.7162 7.9292 7.9292 7.9407 7.9407 8.1337 8.1337 8.1558 8.1558 8.5203 8.5203 k = 0.0000 0.5000 0.5452 ( 16428 PWs) bands (ev): 0.8874 0.8874 0.8875 0.8875 1.6262 1.6262 1.6274 1.6274 2.8378 2.8378 2.8447 2.8447 3.5438 3.5438 3.5502 3.5502 4.6367 4.6367 4.6408 4.6408 4.7322 4.7322 4.7323 4.7323 5.6567 5.6567 5.6688 5.6688 6.0474 6.0474 6.0570 6.0570 6.2188 6.2188 6.2278 6.2278 6.2282 6.2282 6.2489 6.2489 6.3864 6.3864 6.3899 6.3899 6.5942 6.5942 6.5975 6.5975 6.8614 6.8614 6.8676 6.8676 6.9685 6.9685 6.9977 6.9977 7.0887 7.0887 7.0940 7.0940 7.3125 7.3125 7.3219 7.3219 7.3547 7.3547 7.3652 7.3652 7.5110 7.5110 7.5203 7.5203 7.7190 7.7190 7.7207 7.7207 7.9282 7.9282 7.9389 7.9389 8.1316 8.1316 8.1549 8.1549 8.5160 8.5160 k = 0.5000 0.5000-0.0000 ( 16404 PWs) bands (ev): 0.7023 0.7023 0.7023 0.7023 1.9716 1.9716 1.9716 1.9716 2.7254 2.7254 2.7254 2.7254 3.6497 3.6497 3.6497 3.6497 4.2645 4.2645 4.2645 4.2645 4.2776 4.2776 4.2776 4.2776 5.7693 5.7693 5.7693 5.7693 5.9862 5.9862 5.9862 5.9862 6.0250 6.0250 6.0250 6.0250 6.1798 6.1798 6.1798 6.1798 6.4418 6.4418 6.4418 6.4418 6.8041 6.8041 6.8041 6.8041 6.8977 6.8977 6.8977 6.8977 6.9798 6.9798 6.9798 6.9798 7.1148 7.1148 7.1148 7.1148 7.1807 7.1807 7.1807 7.1807 7.3851 7.3851 7.3851 7.3851 7.4544 7.4544 7.4544 7.4544 7.7991 7.7991 7.7991 7.7991 8.3331 8.3331 8.3331 8.3331 8.6191 8.6191 8.6191 8.6191 9.0229 9.0229 k = 0.5000 0.5000 0.0237 ( 16436 PWs) bands (ev): 0.7033 0.7033 0.7033 0.7033 1.9728 1.9728 1.9728 1.9728 2.7210 2.7210 2.7210 2.7210 3.6460 3.6460 3.6460 3.6460 4.2675 4.2675 4.2675 4.2675 4.2831 4.2831 4.2831 4.2831 5.7711 5.7711 5.7711 5.7711 5.9858 5.9858 5.9858 5.9858 6.0217 6.0217 6.0217 6.0217 6.1827 6.1827 6.1827 6.1827 6.4410 6.4410 6.4410 6.4410 6.8020 6.8020 6.8020 6.8020 6.8994 6.8994 6.8994 6.8994 6.9768 6.9768 6.9768 6.9768 7.1174 7.1174 7.1174 7.1174 7.1844 7.1844 7.1844 7.1844 7.3841 7.3841 7.3841 7.3841 7.4547 7.4547 7.4547 7.4547 7.7979 7.7979 7.7979 7.7979 8.3289 8.3289 8.3289 8.3289 8.6170 8.6170 8.6170 8.6170 8.9975 8.9975 k = 0.5000 0.5000 0.0474 ( 16420 PWs) bands (ev): 0.7066 0.7066 0.7066 0.7066 1.9765 1.9765 1.9765 1.9765 2.7080 2.7080 2.7080 2.7080 3.6350 3.6350 3.6350 3.6350 4.2765 4.2765 4.2765 4.2765 4.2993 4.2993 4.2993 4.2993 5.7762 5.7762 5.7762 5.7762 5.9847 5.9847 5.9847 5.9847 6.0126 6.0126 6.0126 6.0126 6.1908 6.1908 6.1908 6.1908 6.4388 6.4388 6.4388 6.4388 6.7959 6.7959 6.7959 6.7959 6.9046 6.9046 6.9046 6.9046 6.9688 6.9688 6.9688 6.9688 7.1248 7.1248 7.1248 7.1248 7.1945 7.1945 7.1945 7.1945 7.3811 7.3811 7.3811 7.3811 7.4556 7.4556 7.4556 7.4556 7.7941 7.7941 7.7941 7.7941 8.3166 8.3166 8.3166 8.3166 8.6110 8.6110 8.6110 8.6110 8.9382 8.9382 k = 0.5000 0.5000 0.0711 ( 16408 PWs) bands (ev): 0.7119 0.7119 0.7119 0.7119 1.9827 1.9827 1.9827 1.9827 2.6869 2.6869 2.6869 2.6869 3.6174 3.6174 3.6174 3.6174 4.2909 4.2909 4.2909 4.2909 4.3257 4.3257 4.3257 4.3257 5.7840 5.7840 5.7840 5.7840 5.9825 5.9825 5.9825 5.9825 5.9998 5.9998 5.9998 5.9998 6.2030 6.2030 6.2030 6.2030 6.4352 6.4352 6.4352 6.4352 6.7864 6.7864 6.7864 6.7864 6.9135 6.9135 6.9135 6.9135 6.9577 6.9577 6.9577 6.9577 7.1357 7.1357 7.1357 7.1357 7.2088 7.2088 7.2088 7.2088 7.3765 7.3765 7.3765 7.3765 7.4572 7.4572 7.4572 7.4572 7.7878 7.7878 7.7878 7.7878 8.2970 8.2970 8.2970 8.2970 8.6010 8.6010 8.6010 8.6010 8.8648 8.8648 k = 0.5000 0.5000 0.0948 ( 16448 PWs) bands (ev): 0.7194 0.7194 0.7194 0.7194 1.9913 1.9913 1.9913 1.9913 2.6587 2.6587 2.6587 2.6587 3.5941 3.5941 3.5941 3.5941 4.3100 4.3100 4.3100 4.3100 4.3613 4.3613 4.3613 4.3613 5.7927 5.7927 5.7927 5.7927 5.9779 5.9779 5.9779 5.9779 5.9872 5.9872 5.9872 5.9872 6.2183 6.2183 6.2183 6.2183 6.4305 6.4305 6.4305 6.4305 6.7741 6.7741 6.7741 6.7741 6.9254 6.9254 6.9254 6.9254 6.9459 6.9459 6.9459 6.9459 7.1483 7.1483 7.1483 7.1483 7.2252 7.2252 7.2252 7.2252 7.3713 7.3713 7.3713 7.3713 7.4593 7.4593 7.4593 7.4593 7.7788 7.7788 7.7788 7.7788 8.2717 8.2717 8.2717 8.2717 8.5871 8.5871 8.5871 8.5871 8.7856 8.7856 k = 0.5000 0.5000 0.1185 ( 16456 PWs) bands (ev): 0.7289 0.7289 0.7289 0.7289 2.0022 2.0022 2.0022 2.0022 2.6243 2.6243 2.6243 2.6243 3.5658 3.5658 3.5658 3.5658 4.3329 4.3329 4.3329 4.3329 4.4052 4.4052 4.4052 4.4052 5.7994 5.7994 5.7994 5.7994 5.9689 5.9689 5.9689 5.9689 5.9806 5.9806 5.9806 5.9806 6.2361 6.2361 6.2361 6.2361 6.4250 6.4250 6.4250 6.4250 6.7600 6.7600 6.7600 6.7600 6.9299 6.9299 6.9299 6.9299 6.9454 6.9454 6.9454 6.9454 7.1597 7.1597 7.1597 7.1597 7.2419 7.2419 7.2419 7.2419 7.3670 7.3670 7.3670 7.3670 7.4621 7.4621 7.4621 7.4621 7.7669 7.7669 7.7669 7.7669 8.2421 8.2421 8.2421 8.2421 8.5693 8.5693 8.5693 8.5693 8.7042 8.7042 k = 0.5000 0.5000 0.1422 ( 16440 PWs) bands (ev): 0.7404 0.7404 0.7404 0.7404 2.0155 2.0155 2.0155 2.0155 2.5849 2.5849 2.5849 2.5849 3.5336 3.5336 3.5336 3.5336 4.3589 4.3589 4.3589 4.3589 4.4563 4.4563 4.4563 4.4563 5.7990 5.7990 5.7990 5.7990 5.9645 5.9645 5.9645 5.9645 5.9765 5.9765 5.9765 5.9765 6.2559 6.2559 6.2559 6.2559 6.4188 6.4188 6.4188 6.4188 6.7448 6.7448 6.7448 6.7448 6.9206 6.9206 6.9206 6.9206 6.9634 6.9634 6.9634 6.9634 7.1668 7.1668 7.1668 7.1668 7.2576 7.2576 7.2576 7.2576 7.3659 7.3659 7.3659 7.3659 7.4655 7.4655 7.4655 7.4655 7.7520 7.7520 7.7520 7.7520 8.2099 8.2099 8.2099 8.2099 8.5476 8.5476 8.5476 8.5476 8.6225 8.6225 k = 0.5000 0.5000 0.1659 ( 16444 PWs) bands (ev): 0.7538 0.7538 0.7538 0.7538 2.0310 2.0310 2.0310 2.0310 2.5414 2.5414 2.5414 2.5414 3.4981 3.4981 3.4981 3.4981 4.3875 4.3875 4.3875 4.3875 4.5135 4.5135 4.5135 4.5135 5.7869 5.7869 5.7869 5.7869 5.9699 5.9699 5.9699 5.9699 5.9743 5.9743 5.9743 5.9743 6.2775 6.2775 6.2775 6.2775 6.4123 6.4123 6.4123 6.4123 6.7288 6.7288 6.7288 6.7288 6.9121 6.9121 6.9121 6.9121 6.9853 6.9853 6.9853 6.9853 7.1662 7.1662 7.1662 7.1662 7.2717 7.2717 7.2717 7.2717 7.3702 7.3702 7.3702 7.3702 7.4695 7.4695 7.4695 7.4695 7.7340 7.7340 7.7340 7.7340 8.1764 8.1764 8.1764 8.1764 8.5194 8.5194 8.5194 8.5194 8.5441 8.5441 k = 0.5000 0.5000 0.1896 ( 16440 PWs) bands (ev): 0.7689 0.7689 0.7689 0.7689 2.0487 2.0487 2.0487 2.0487 2.4950 2.4950 2.4950 2.4950 3.4601 3.4601 3.4601 3.4601 4.4182 4.4182 4.4182 4.4182 4.5759 4.5759 4.5759 4.5759 5.7629 5.7629 5.7629 5.7629 5.9668 5.9668 5.9668 5.9668 5.9926 5.9926 5.9926 5.9926 6.3010 6.3010 6.3010 6.3010 6.4056 6.4056 6.4056 6.4056 6.7124 6.7124 6.7124 6.7124 6.9059 6.9059 6.9059 6.9059 7.0097 7.0097 7.0097 7.0097 7.1563 7.1563 7.1563 7.1563 7.2835 7.2835 7.2835 7.2835 7.3811 7.3811 7.3811 7.3811 7.4742 7.4742 7.4742 7.4742 7.7125 7.7125 7.7125 7.7125 8.1430 8.1430 8.1430 8.1430 8.4555 8.4555 8.4555 8.4555 8.4993 8.4993 k = 0.5000 0.5000 0.2133 ( 16416 PWs) bands (ev): 0.7858 0.7858 0.7858 0.7858 2.0683 2.0683 2.0683 2.0683 2.4464 2.4464 2.4464 2.4464 3.4202 3.4202 3.4202 3.4202 4.4507 4.4507 4.4507 4.4507 4.6425 4.6425 4.6425 4.6425 5.7301 5.7301 5.7301 5.7301 5.9617 5.9617 5.9617 5.9617 6.0222 6.0222 6.0222 6.0222 6.3261 6.3261 6.3261 6.3261 6.3992 6.3992 6.3992 6.3992 6.6954 6.6954 6.6954 6.6954 6.9021 6.9021 6.9021 6.9021 7.0362 7.0362 7.0362 7.0362 7.1375 7.1375 7.1375 7.1375 7.2928 7.2928 7.2928 7.2928 7.3978 7.3978 7.3978 7.3978 7.4796 7.4796 7.4796 7.4796 7.6877 7.6877 7.6877 7.6877 8.1106 8.1106 8.1106 8.1106 8.3771 8.3771 8.3771 8.3771 8.4674 8.4674 k = 0.5000 0.5000 0.2370 ( 16400 PWs) bands (ev): 0.8041 0.8041 0.8041 0.8041 2.0899 2.0899 2.0899 2.0899 2.3965 2.3965 2.3965 2.3965 3.3788 3.3788 3.3788 3.3788 4.4846 4.4846 4.4846 4.4846 4.7125 4.7125 4.7125 4.7125 5.6912 5.6912 5.6912 5.6912 5.9559 5.9559 5.9559 5.9559 6.0588 6.0588 6.0588 6.0588 6.3523 6.3523 6.3523 6.3523 6.3935 6.3935 6.3935 6.3935 6.6776 6.6776 6.6776 6.6776 6.9008 6.9008 6.9008 6.9008 7.0643 7.0643 7.0643 7.0643 7.1119 7.1119 7.1119 7.1119 7.2993 7.2993 7.2993 7.2993 7.4185 7.4185 7.4185 7.4185 7.4857 7.4857 7.4857 7.4857 7.6593 7.6593 7.6593 7.6593 8.0801 8.0801 8.0801 8.0801 8.2995 8.2995 8.2995 8.2995 8.4338 8.4338 k = 0.5000 0.5000 0.2607 ( 16400 PWs) bands (ev): 0.8238 0.8238 0.8238 0.8238 2.1131 2.1131 2.1131 2.1131 2.3462 2.3462 2.3462 2.3462 3.3364 3.3364 3.3364 3.3364 4.5199 4.5199 4.5199 4.5199 4.7851 4.7851 4.7851 4.7851 5.6482 5.6482 5.6482 5.6482 5.9497 5.9497 5.9497 5.9497 6.1005 6.1005 6.1005 6.1005 6.3748 6.3748 6.3748 6.3748 6.3936 6.3936 6.3936 6.3936 6.6588 6.6588 6.6588 6.6588 6.9017 6.9017 6.9017 6.9017 7.0814 7.0814 7.0814 7.0814 7.0938 7.0938 7.0938 7.0938 7.3028 7.3028 7.3028 7.3028 7.4415 7.4415 7.4415 7.4415 7.4927 7.4927 7.4927 7.4927 7.6277 7.6277 7.6277 7.6277 8.0519 8.0519 8.0519 8.0519 8.2239 8.2239 8.2239 8.2239 8.3980 8.3980 k = 0.5000 0.5000 0.2844 ( 16380 PWs) bands (ev): 0.8446 0.8446 0.8446 0.8446 2.1379 2.1379 2.1379 2.1379 2.2959 2.2959 2.2959 2.2959 3.2934 3.2934 3.2934 3.2934 4.5563 4.5563 4.5563 4.5563 4.8598 4.8598 4.8598 4.8598 5.6022 5.6022 5.6022 5.6022 5.9428 5.9428 5.9428 5.9428 6.1463 6.1463 6.1463 6.1463 6.3763 6.3763 6.3763 6.3763 6.4167 6.4167 6.4167 6.4167 6.6381 6.6381 6.6381 6.6381 6.9043 6.9043 6.9043 6.9043 7.0485 7.0485 7.0485 7.0485 7.1237 7.1237 7.1237 7.1237 7.3031 7.3031 7.3031 7.3031 7.4655 7.4655 7.4655 7.4655 7.5006 7.5006 7.5006 7.5006 7.5933 7.5933 7.5933 7.5933 8.0264 8.0264 8.0264 8.0264 8.1505 8.1505 8.1505 8.1505 8.3604 8.3604 k = 0.5000 0.5000 0.3081 ( 16348 PWs) bands (ev): 0.8662 0.8662 0.8662 0.8662 2.1639 2.1639 2.1639 2.1639 2.2465 2.2465 2.2465 2.2465 3.2504 3.2504 3.2504 3.2504 4.5939 4.5939 4.5939 4.5939 4.9358 4.9358 4.9358 4.9358 5.5541 5.5541 5.5541 5.5541 5.9354 5.9354 5.9354 5.9354 6.1951 6.1951 6.1951 6.1951 6.3717 6.3717 6.3717 6.3717 6.4478 6.4478 6.4478 6.4478 6.6151 6.6151 6.6151 6.6151 6.9081 6.9081 6.9081 6.9081 7.0148 7.0148 7.0148 7.0148 7.1538 7.1538 7.1538 7.1538 7.3001 7.3001 7.3001 7.3001 7.4892 7.4892 7.4892 7.4892 7.5097 7.5097 7.5097 7.5097 7.5571 7.5571 7.5571 7.5571 8.0036 8.0036 8.0036 8.0036 8.0795 8.0795 8.0795 8.0795 8.3211 8.3211 k = 0.5000 0.5000 0.3318 ( 16356 PWs) bands (ev): 0.8883 0.8883 0.8883 0.8883 2.1898 2.1898 2.1898 2.1898 2.1996 2.1996 2.1996 2.1996 3.2077 3.2077 3.2077 3.2077 4.6326 4.6326 4.6326 4.6326 5.0126 5.0126 5.0126 5.0126 5.5046 5.5046 5.5046 5.5046 5.9274 5.9274 5.9274 5.9274 6.2464 6.2464 6.2464 6.2464 6.3669 6.3669 6.3669 6.3669 6.4808 6.4808 6.4808 6.4808 6.5892 6.5892 6.5892 6.5892 6.9123 6.9123 6.9123 6.9123 6.9823 6.9823 6.9823 6.9823 7.1835 7.1835 7.1835 7.1835 7.2934 7.2934 7.2934 7.2934 7.5109 7.5109 7.5109 7.5109 7.5163 7.5163 7.5163 7.5163 7.5256 7.5256 7.5256 7.5256 7.9835 7.9835 7.9835 7.9835 8.0112 8.0112 8.0112 8.0112 8.2806 8.2806 k = 0.5000 0.5000 0.3555 ( 16360 PWs) bands (ev): 0.9105 0.9105 0.9105 0.9105 2.1522 2.1522 2.1522 2.1522 2.2188 2.2188 2.2188 2.2188 3.1658 3.1658 3.1658 3.1658 4.6723 4.6723 4.6723 4.6723 5.0893 5.0893 5.0893 5.0893 5.4541 5.4541 5.4541 5.4541 5.9185 5.9185 5.9185 5.9185 6.2994 6.2994 6.2994 6.2994 6.3625 6.3625 6.3625 6.3625 6.5142 6.5142 6.5142 6.5142 6.5606 6.5606 6.5606 6.5606 6.9159 6.9159 6.9159 6.9159 6.9528 6.9528 6.9528 6.9528 7.2118 7.2118 7.2118 7.2118 7.2821 7.2821 7.2821 7.2821 7.4840 7.4840 7.4840 7.4840 7.5295 7.5295 7.5295 7.5295 7.5384 7.5384 7.5384 7.5384 7.9448 7.9448 7.9448 7.9448 7.9667 7.9667 7.9667 7.9667 8.2393 8.2393 k = 0.5000 0.5000 0.3792 ( 16380 PWs) bands (ev): 0.9324 0.9324 0.9324 0.9324 2.1090 2.1090 2.1090 2.1090 2.2464 2.2464 2.2464 2.2464 3.1252 3.1252 3.1252 3.1252 4.7129 4.7129 4.7129 4.7129 5.1654 5.1654 5.1654 5.1654 5.4031 5.4031 5.4031 5.4031 5.9086 5.9086 5.9086 5.9086 6.3510 6.3510 6.3510 6.3510 6.3610 6.3610 6.3610 6.3610 6.5230 6.5230 6.5230 6.5230 6.5541 6.5541 6.5541 6.5541 6.9152 6.9152 6.9152 6.9152 6.9302 6.9302 6.9302 6.9302 7.2362 7.2362 7.2362 7.2362 7.2665 7.2665 7.2665 7.2665 7.4548 7.4548 7.4548 7.4548 7.5443 7.5443 7.5443 7.5443 7.5575 7.5575 7.5575 7.5575 7.8817 7.8817 7.8817 7.8817 7.9518 7.9518 7.9518 7.9518 8.1979 8.1979 k = 0.5000 0.5000 0.4029 ( 16412 PWs) bands (ev): 0.9534 0.9534 0.9534 0.9534 2.0692 2.0692 2.0692 2.0692 2.2737 2.2737 2.2737 2.2737 3.0868 3.0868 3.0868 3.0868 4.7544 4.7544 4.7544 4.7544 5.2397 5.2397 5.2397 5.2397 5.3520 5.3520 5.3520 5.3520 5.8974 5.8974 5.8974 5.8974 6.3539 6.3539 6.3539 6.3539 6.4088 6.4088 6.4088 6.4088 6.4898 6.4898 6.4898 6.4898 6.5872 6.5872 6.5872 6.5872 6.9003 6.9003 6.9003 6.9003 6.9240 6.9240 6.9240 6.9240 7.2322 7.2322 7.2322 7.2322 7.2687 7.2687 7.2687 7.2687 7.4345 7.4345 7.4345 7.4345 7.5601 7.5601 7.5601 7.5601 7.5757 7.5757 7.5757 7.5757 7.8210 7.8210 7.8210 7.8210 7.9395 7.9395 7.9395 7.9395 8.1570 8.1570 k = 0.5000 0.5000 0.4266 ( 16388 PWs) bands (ev): 0.9730 0.9730 0.9730 0.9730 2.0335 2.0335 2.0335 2.0335 2.2997 2.2997 2.2997 2.2997 3.0512 3.0512 3.0512 3.0512 4.7966 4.7966 4.7966 4.7966 5.2993 5.2993 5.2993 5.2993 5.3133 5.3133 5.3133 5.3133 5.8846 5.8846 5.8846 5.8846 6.3509 6.3509 6.3509 6.3509 6.4480 6.4480 6.4480 6.4480 6.4686 6.4686 6.4686 6.4686 6.6210 6.6210 6.6210 6.6210 6.8836 6.8836 6.8836 6.8836 6.9217 6.9217 6.9217 6.9217 7.2002 7.2002 7.2002 7.2002 7.2881 7.2881 7.2881 7.2881 7.4253 7.4253 7.4253 7.4253 7.5772 7.5772 7.5772 7.5772 7.5920 7.5920 7.5920 7.5920 7.7631 7.7631 7.7631 7.7631 7.9294 7.9294 7.9294 7.9294 8.1174 8.1174 k = 0.5000 0.5000 0.4503 ( 16388 PWs) bands (ev): 0.9904 0.9904 0.9904 0.9904 2.0028 2.0028 2.0028 2.0028 2.3235 2.3235 2.3235 2.3235 3.0195 3.0195 3.0195 3.0195 4.8392 4.8392 4.8392 4.8392 5.2508 5.2508 5.2508 5.2508 5.3793 5.3793 5.3793 5.3793 5.8698 5.8698 5.8698 5.8698 6.3482 6.3482 6.3482 6.3482 6.4166 6.4166 6.4166 6.4166 6.5179 6.5179 6.5179 6.5179 6.6525 6.6525 6.6525 6.6525 6.8703 6.8703 6.8703 6.8703 6.9176 6.9176 6.9176 6.9176 7.1613 7.1613 7.1613 7.1613 7.3055 7.3055 7.3055 7.3055 7.4268 7.4268 7.4268 7.4268 7.5948 7.5948 7.5948 7.5948 7.6063 7.6063 7.6063 7.6063 7.7083 7.7083 7.7083 7.7083 7.9213 7.9213 7.9213 7.9213 8.0804 8.0804 k = 0.5000 0.5000 0.4740 ( 16412 PWs) bands (ev): 1.0049 1.0049 1.0049 1.0049 1.9779 1.9779 1.9779 1.9779 2.3441 2.3441 2.3441 2.3441 2.9927 2.9927 2.9927 2.9927 4.8818 4.8818 4.8818 4.8818 5.2024 5.2024 5.2024 5.2024 5.4401 5.4401 5.4401 5.4401 5.8533 5.8533 5.8533 5.8533 6.3455 6.3455 6.3455 6.3455 6.3858 6.3858 6.3858 6.3858 6.5678 6.5678 6.5678 6.5678 6.6792 6.6792 6.6792 6.6792 6.8604 6.8604 6.8604 6.8604 6.9121 6.9121 6.9121 6.9121 7.1211 7.1211 7.1211 7.1211 7.3194 7.3194 7.3194 7.3194 7.4378 7.4378 7.4378 7.4378 7.6097 7.6097 7.6097 7.6097 7.6198 7.6198 7.6198 7.6198 7.6575 7.6575 7.6575 7.6575 7.9152 7.9152 7.9152 7.9152 8.0475 8.0475 k = 0.5000 0.5000 0.4978 ( 16412 PWs) bands (ev): 1.0159 1.0159 1.0159 1.0159 1.9594 1.9594 1.9594 1.9594 2.3601 2.3601 2.3601 2.3601 2.9723 2.9723 2.9723 2.9723 4.9228 4.9228 4.9228 4.9228 5.1571 5.1571 5.1571 5.1571 5.4909 5.4909 5.4909 5.4909 5.8363 5.8363 5.8363 5.8363 6.3420 6.3420 6.3420 6.3420 6.3627 6.3627 6.3627 6.3627 6.6128 6.6128 6.6128 6.6128 6.6973 6.6973 6.6973 6.6973 6.8538 6.8538 6.8538 6.8538 6.9073 6.9073 6.9073 6.9073 7.0842 7.0842 7.0842 7.0842 7.3293 7.3293 7.3293 7.3293 7.4567 7.4567 7.4567 7.4567 7.6058 7.6058 7.6058 7.6058 7.6215 7.6215 7.6215 7.6215 7.6365 7.6365 7.6365 7.6365 7.9109 7.9109 7.9109 7.9109 8.0209 8.0209 k = 0.5000 0.5000 0.5215 ( 16448 PWs) bands (ev): 1.0228 1.0228 1.0228 1.0228 1.9480 1.9480 1.9480 1.9480 2.3703 2.3703 2.3703 2.3703 2.9594 2.9594 2.9594 2.9594 4.9580 4.9580 4.9580 4.9580 5.1193 5.1193 5.1193 5.1193 5.5262 5.5262 5.5262 5.5262 5.8223 5.8223 5.8223 5.8223 6.3358 6.3358 6.3358 6.3358 6.3518 6.3518 6.3518 6.3518 6.6487 6.6487 6.6487 6.6487 6.7034 6.7034 6.7034 6.7034 6.8501 6.8501 6.8501 6.8501 6.9051 6.9051 6.9051 6.9051 7.0569 7.0569 7.0569 7.0569 7.3352 7.3352 7.3352 7.3352 7.4812 7.4812 7.4812 7.4812 7.5663 7.5663 7.5663 7.5663 7.6258 7.6258 7.6258 7.6258 7.6465 7.6465 7.6465 7.6465 7.9083 7.9083 7.9083 7.9083 8.0033 8.0033 k = 0.5000 0.5000 0.5452 ( 16424 PWs) bands (ev): 1.0251 1.0251 1.0251 1.0251 1.9442 1.9442 1.9442 1.9442 2.3738 2.3738 2.3738 2.3738 2.9550 2.9550 2.9550 2.9550 4.9743 4.9743 4.9743 4.9743 5.1022 5.1022 5.1022 5.1022 5.5392 5.5392 5.5392 5.5392 5.8166 5.8166 5.8166 5.8166 6.3321 6.3321 6.3321 6.3321 6.3497 6.3497 6.3497 6.3497 6.6652 6.6652 6.6652 6.6652 6.7016 6.7016 6.7016 6.7016 6.8489 6.8489 6.8489 6.8489 6.9050 6.9050 6.9050 6.9050 7.0464 7.0464 7.0464 7.0464 7.3372 7.3372 7.3372 7.3372 7.4991 7.4991 7.4991 7.4991 7.5429 7.5429 7.5429 7.5429 7.6274 7.6274 7.6274 7.6274 7.6505 7.6505 7.6505 7.6505 7.9075 7.9075 7.9075 7.9075 7.9970 7.9970 Writing output data file Zr3Al2.save init_run : 0.31s CPU 0.41s WALL ( 1 calls) electrons : 1477.12s CPU 1498.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 1477.12s CPU 1498.38s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.52s WALL ( 222 calls) cegterg : 1349.93s CPU 1367.68s WALL ( 943 calls) Called by sum_band: Called by *egterg: h_psi : 819.16s CPU 825.63s WALL ( 18652 calls) s_psi : 110.82s CPU 110.70s WALL ( 18652 calls) g_psi : 2.65s CPU 2.70s WALL ( 17487 calls) cdiaghg : 284.59s CPU 288.07s WALL ( 17709 calls) cegterg:over : 85.44s CPU 85.46s WALL ( 17487 calls) cegterg:upda : 87.65s CPU 87.86s WALL ( 17487 calls) cegterg:last : 42.01s CPU 42.10s WALL ( 2282 calls) cdiaghg:chol : 16.71s CPU 17.08s WALL ( 17709 calls) cdiaghg:inve : 12.14s CPU 12.45s WALL ( 17709 calls) cdiaghg:para : 22.20s CPU 22.57s WALL ( 35418 calls) Called by h_psi: h_psi:vloc : 592.06s CPU 596.24s WALL ( 18652 calls) h_psi:vnl : 223.54s CPU 225.58s WALL ( 18652 calls) add_vuspsi : 114.01s CPU 115.32s WALL ( 18652 calls) General routines calbec : 109.39s CPU 110.19s WALL ( 18652 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 559.31s CPU 562.66s WALL ( 2378900 calls) davcio : 0.11s CPU 0.37s WALL ( 444 calls) Parallel routines fft_scatter : 175.73s CPU 176.77s WALL ( 2378915 calls) PWSCF : 25m22.06s CPU 26m 3.14s WALL This run was terminated on: 19:42:26 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=