Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:17:37 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: ./FeSb2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 27 8 1491 983 159 Max 36 28 9 1498 1007 164 Sum 1279 973 293 53829 35767 5835 bravais-lattice index = 14 lattice parameter (alat) = 6.0420 a.u. unit-cell volume = 847.6826 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.042021 celldm(2)= 1.824289 celldm(3)= 2.106652 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 1.824289 0.000000 ) a(3) = ( 0.000000 0.000000 2.106652 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.548159 -0.000000 ) b(3) = ( 0.000000 0.000000 0.474687 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sb 5.00 121.76000 Sb( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.9121446 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0533262 ) 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 ) ( 0.9121446 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0533262 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.9121446 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0533262 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.9121446 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0533262 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 416 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0024038 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0024038 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0024038 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0024038 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0024038 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0024038 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0024038 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0024038 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0024038 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0024038 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0024038 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0024038 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0024038 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0024038 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0024038 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0024038 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0024038 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0024038 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0024038 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0024038 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0024038 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0024038 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0024038 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0024038 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0024038 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 53) = ( 0.5000000 0.0101511 -0.0000000), wk = 0.0024038 k( 54) = ( 0.5000000 0.0203022 -0.0000000), wk = 0.0024038 k( 55) = ( 0.5000000 0.0304533 -0.0000000), wk = 0.0024038 k( 56) = ( 0.5000000 0.0406043 -0.0000000), wk = 0.0024038 k( 57) = ( 0.5000000 0.0507554 -0.0000000), wk = 0.0024038 k( 58) = ( 0.5000000 0.0609065 -0.0000000), wk = 0.0024038 k( 59) = ( 0.5000000 0.0710576 -0.0000000), wk = 0.0024038 k( 60) = ( 0.5000000 0.0812087 -0.0000000), wk = 0.0024038 k( 61) = ( 0.5000000 0.0913598 -0.0000000), wk = 0.0024038 k( 62) = ( 0.5000000 0.1015109 -0.0000000), wk = 0.0024038 k( 63) = ( 0.5000000 0.1116620 -0.0000000), wk = 0.0024038 k( 64) = ( 0.5000000 0.1218130 -0.0000000), wk = 0.0024038 k( 65) = ( 0.5000000 0.1319641 -0.0000000), wk = 0.0024038 k( 66) = ( 0.5000000 0.1421152 -0.0000000), wk = 0.0024038 k( 67) = ( 0.5000000 0.1522663 -0.0000000), wk = 0.0024038 k( 68) = ( 0.5000000 0.1624174 -0.0000000), wk = 0.0024038 k( 69) = ( 0.5000000 0.1725685 -0.0000000), wk = 0.0024038 k( 70) = ( 0.5000000 0.1827196 -0.0000000), wk = 0.0024038 k( 71) = ( 0.5000000 0.1928706 -0.0000000), wk = 0.0024038 k( 72) = ( 0.5000000 0.2030217 -0.0000000), wk = 0.0024038 k( 73) = ( 0.5000000 0.2131728 -0.0000000), wk = 0.0024038 k( 74) = ( 0.5000000 0.2233239 -0.0000000), wk = 0.0024038 k( 75) = ( 0.5000000 0.2334750 -0.0000000), wk = 0.0024038 k( 76) = ( 0.5000000 0.2436261 -0.0000000), wk = 0.0024038 k( 77) = ( 0.5000000 0.2537772 -0.0000000), wk = 0.0024038 k( 78) = ( 0.5000000 0.2639283 -0.0000000), wk = 0.0024038 k( 79) = ( 0.5000000 0.2740793 -0.0000000), wk = 0.0024038 k( 80) = ( 0.5000000 0.2740793 -0.0000000), wk = 0.0024038 k( 81) = ( 0.4900000 0.2740793 -0.0000000), wk = 0.0024038 k( 82) = ( 0.4800000 0.2740793 -0.0000000), wk = 0.0024038 k( 83) = ( 0.4700000 0.2740793 -0.0000000), wk = 0.0024038 k( 84) = ( 0.4600000 0.2740793 -0.0000000), wk = 0.0024038 k( 85) = ( 0.4500000 0.2740793 -0.0000000), wk = 0.0024038 k( 86) = ( 0.4400000 0.2740793 -0.0000000), wk = 0.0024038 k( 87) = ( 0.4300000 0.2740793 -0.0000000), wk = 0.0024038 k( 88) = ( 0.4200000 0.2740793 -0.0000000), wk = 0.0024038 k( 89) = ( 0.4100000 0.2740793 -0.0000000), wk = 0.0024038 k( 90) = ( 0.4000000 0.2740793 -0.0000000), wk = 0.0024038 k( 91) = ( 0.3900000 0.2740793 -0.0000000), wk = 0.0024038 k( 92) = ( 0.3800000 0.2740793 -0.0000000), wk = 0.0024038 k( 93) = ( 0.3700000 0.2740793 -0.0000000), wk = 0.0024038 k( 94) = ( 0.3600000 0.2740793 -0.0000000), wk = 0.0024038 k( 95) = ( 0.3500000 0.2740793 -0.0000000), wk = 0.0024038 k( 96) = ( 0.3400000 0.2740793 -0.0000000), wk = 0.0024038 k( 97) = ( 0.3300000 0.2740793 -0.0000000), wk = 0.0024038 k( 98) = ( 0.3200000 0.2740793 -0.0000000), wk = 0.0024038 k( 99) = ( 0.3100000 0.2740793 -0.0000000), wk = 0.0024038 k( 100) = ( 0.3000000 0.2740793 -0.0000000), wk = 0.0024038 k( 101) = ( 0.2900000 0.2740793 -0.0000000), wk = 0.0024038 k( 102) = ( 0.2800000 0.2740793 -0.0000000), wk = 0.0024038 k( 103) = ( 0.2700000 0.2740793 -0.0000000), wk = 0.0024038 k( 104) = ( 0.2600000 0.2740793 -0.0000000), wk = 0.0024038 k( 105) = ( 0.2500000 0.2740793 -0.0000000), wk = 0.0024038 k( 106) = ( 0.2400000 0.2740793 -0.0000000), wk = 0.0024038 k( 107) = ( 0.2300000 0.2740793 -0.0000000), wk = 0.0024038 k( 108) = ( 0.2200000 0.2740793 -0.0000000), wk = 0.0024038 k( 109) = ( 0.2100000 0.2740793 -0.0000000), wk = 0.0024038 k( 110) = ( 0.2000000 0.2740793 -0.0000000), wk = 0.0024038 k( 111) = ( 0.1900000 0.2740793 -0.0000000), wk = 0.0024038 k( 112) = ( 0.1800000 0.2740793 -0.0000000), wk = 0.0024038 k( 113) = ( 0.1700000 0.2740793 -0.0000000), wk = 0.0024038 k( 114) = ( 0.1600000 0.2740793 -0.0000000), wk = 0.0024038 k( 115) = ( 0.1500000 0.2740793 -0.0000000), wk = 0.0024038 k( 116) = ( 0.1400000 0.2740793 -0.0000000), wk = 0.0024038 k( 117) = ( 0.1300000 0.2740793 -0.0000000), wk = 0.0024038 k( 118) = ( 0.1200000 0.2740793 -0.0000000), wk = 0.0024038 k( 119) = ( 0.1100000 0.2740793 -0.0000000), wk = 0.0024038 k( 120) = ( 0.1000000 0.2740793 -0.0000000), wk = 0.0024038 k( 121) = ( 0.0900000 0.2740793 -0.0000000), wk = 0.0024038 k( 122) = ( 0.0800000 0.2740793 -0.0000000), wk = 0.0024038 k( 123) = ( 0.0700000 0.2740793 -0.0000000), wk = 0.0024038 k( 124) = ( 0.0600000 0.2740793 -0.0000000), wk = 0.0024038 k( 125) = ( 0.0500000 0.2740793 -0.0000000), wk = 0.0024038 k( 126) = ( 0.0400000 0.2740793 -0.0000000), wk = 0.0024038 k( 127) = ( 0.0300000 0.2740793 -0.0000000), wk = 0.0024038 k( 128) = ( 0.0200000 0.2740793 -0.0000000), wk = 0.0024038 k( 129) = ( 0.0100000 0.2740793 -0.0000000), wk = 0.0024038 k( 130) = ( 0.0000000 0.2740793 -0.0000000), wk = 0.0024038 k( 131) = ( 0.0000000 0.2740793 -0.0000000), wk = 0.0024038 k( 132) = ( 0.0000000 0.2639283 -0.0000000), wk = 0.0024038 k( 133) = ( 0.0000000 0.2537772 -0.0000000), wk = 0.0024038 k( 134) = ( 0.0000000 0.2436261 -0.0000000), wk = 0.0024038 k( 135) = ( 0.0000000 0.2334750 -0.0000000), wk = 0.0024038 k( 136) = ( 0.0000000 0.2233239 -0.0000000), wk = 0.0024038 k( 137) = ( 0.0000000 0.2131728 -0.0000000), wk = 0.0024038 k( 138) = ( 0.0000000 0.2030217 -0.0000000), wk = 0.0024038 k( 139) = ( 0.0000000 0.1928706 -0.0000000), wk = 0.0024038 k( 140) = ( 0.0000000 0.1827196 -0.0000000), wk = 0.0024038 k( 141) = ( 0.0000000 0.1725685 -0.0000000), wk = 0.0024038 k( 142) = ( 0.0000000 0.1624174 -0.0000000), wk = 0.0024038 k( 143) = ( 0.0000000 0.1522663 -0.0000000), wk = 0.0024038 k( 144) = ( 0.0000000 0.1421152 -0.0000000), wk = 0.0024038 k( 145) = ( 0.0000000 0.1319641 -0.0000000), wk = 0.0024038 k( 146) = ( 0.0000000 0.1218130 -0.0000000), wk = 0.0024038 k( 147) = ( 0.0000000 0.1116620 -0.0000000), wk = 0.0024038 k( 148) = ( 0.0000000 0.1015109 -0.0000000), wk = 0.0024038 k( 149) = ( 0.0000000 0.0913598 -0.0000000), wk = 0.0024038 k( 150) = ( 0.0000000 0.0812087 -0.0000000), wk = 0.0024038 k( 151) = ( 0.0000000 0.0710576 -0.0000000), wk = 0.0024038 k( 152) = ( 0.0000000 0.0609065 -0.0000000), wk = 0.0024038 k( 153) = ( 0.0000000 0.0507554 -0.0000000), wk = 0.0024038 k( 154) = ( 0.0000000 0.0406043 -0.0000000), wk = 0.0024038 k( 155) = ( 0.0000000 0.0304533 -0.0000000), wk = 0.0024038 k( 156) = ( 0.0000000 0.0203022 -0.0000000), wk = 0.0024038 k( 157) = ( 0.0000000 0.0101511 -0.0000000), wk = 0.0024038 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 160) = ( 0.0000000 0.0000000 0.0098893), wk = 0.0024038 k( 161) = ( 0.0000000 0.0000000 0.0197786), wk = 0.0024038 k( 162) = ( 0.0000000 0.0000000 0.0296679), wk = 0.0024038 k( 163) = ( 0.0000000 0.0000000 0.0395572), wk = 0.0024038 k( 164) = ( 0.0000000 0.0000000 0.0494465), wk = 0.0024038 k( 165) = ( 0.0000000 0.0000000 0.0593358), wk = 0.0024038 k( 166) = ( 0.0000000 0.0000000 0.0692251), wk = 0.0024038 k( 167) = ( 0.0000000 0.0000000 0.0791145), wk = 0.0024038 k( 168) = ( 0.0000000 0.0000000 0.0890038), wk = 0.0024038 k( 169) = ( 0.0000000 0.0000000 0.0988931), wk = 0.0024038 k( 170) = ( 0.0000000 0.0000000 0.1087824), wk = 0.0024038 k( 171) = ( 0.0000000 0.0000000 0.1186717), wk = 0.0024038 k( 172) = ( 0.0000000 0.0000000 0.1285610), wk = 0.0024038 k( 173) = ( 0.0000000 0.0000000 0.1384503), wk = 0.0024038 k( 174) = ( 0.0000000 0.0000000 0.1483396), wk = 0.0024038 k( 175) = ( 0.0000000 0.0000000 0.1582289), wk = 0.0024038 k( 176) = ( 0.0000000 0.0000000 0.1681182), wk = 0.0024038 k( 177) = ( 0.0000000 0.0000000 0.1780075), wk = 0.0024038 k( 178) = ( 0.0000000 0.0000000 0.1878968), wk = 0.0024038 k( 179) = ( 0.0000000 0.0000000 0.1977861), wk = 0.0024038 k( 180) = ( 0.0000000 0.0000000 0.2076754), wk = 0.0024038 k( 181) = ( 0.0000000 0.0000000 0.2175648), wk = 0.0024038 k( 182) = ( 0.0000000 0.0000000 0.2274541), wk = 0.0024038 k( 183) = ( 0.0000000 0.0000000 0.2373434), wk = 0.0024038 k( 184) = ( 0.0000000 0.0000000 0.2373434), wk = 0.0024038 k( 185) = ( 0.0100000 -0.0000000 0.2373434), wk = 0.0024038 k( 186) = ( 0.0200000 -0.0000000 0.2373434), wk = 0.0024038 k( 187) = ( 0.0300000 -0.0000000 0.2373434), wk = 0.0024038 k( 188) = ( 0.0400000 -0.0000000 0.2373434), wk = 0.0024038 k( 189) = ( 0.0500000 -0.0000000 0.2373434), wk = 0.0024038 k( 190) = ( 0.0600000 -0.0000000 0.2373434), wk = 0.0024038 k( 191) = ( 0.0700000 -0.0000000 0.2373434), wk = 0.0024038 k( 192) = ( 0.0800000 -0.0000000 0.2373434), wk = 0.0024038 k( 193) = ( 0.0900000 -0.0000000 0.2373434), wk = 0.0024038 k( 194) = ( 0.1000000 -0.0000000 0.2373434), wk = 0.0024038 k( 195) = ( 0.1100000 -0.0000000 0.2373434), wk = 0.0024038 k( 196) = ( 0.1200000 -0.0000000 0.2373434), wk = 0.0024038 k( 197) = ( 0.1300000 -0.0000000 0.2373434), wk = 0.0024038 k( 198) = ( 0.1400000 -0.0000000 0.2373434), wk = 0.0024038 k( 199) = ( 0.1500000 -0.0000000 0.2373434), wk = 0.0024038 k( 200) = ( 0.1600000 -0.0000000 0.2373434), wk = 0.0024038 k( 201) = ( 0.1700000 -0.0000000 0.2373434), wk = 0.0024038 k( 202) = ( 0.1800000 -0.0000000 0.2373434), wk = 0.0024038 k( 203) = ( 0.1900000 -0.0000000 0.2373434), wk = 0.0024038 k( 204) = ( 0.2000000 -0.0000000 0.2373434), wk = 0.0024038 k( 205) = ( 0.2100000 -0.0000000 0.2373434), wk = 0.0024038 k( 206) = ( 0.2200000 -0.0000000 0.2373434), wk = 0.0024038 k( 207) = ( 0.2300000 -0.0000000 0.2373434), wk = 0.0024038 k( 208) = ( 0.2400000 -0.0000000 0.2373434), wk = 0.0024038 k( 209) = ( 0.2500000 -0.0000000 0.2373434), wk = 0.0024038 k( 210) = ( 0.2600000 -0.0000000 0.2373434), wk = 0.0024038 k( 211) = ( 0.2700000 -0.0000000 0.2373434), wk = 0.0024038 k( 212) = ( 0.2800000 -0.0000000 0.2373434), wk = 0.0024038 k( 213) = ( 0.2900000 -0.0000000 0.2373434), wk = 0.0024038 k( 214) = ( 0.3000000 -0.0000000 0.2373434), wk = 0.0024038 k( 215) = ( 0.3100000 -0.0000000 0.2373434), wk = 0.0024038 k( 216) = ( 0.3200000 -0.0000000 0.2373434), wk = 0.0024038 k( 217) = ( 0.3300000 -0.0000000 0.2373434), wk = 0.0024038 k( 218) = ( 0.3400000 -0.0000000 0.2373434), wk = 0.0024038 k( 219) = ( 0.3500000 -0.0000000 0.2373434), wk = 0.0024038 k( 220) = ( 0.3600000 -0.0000000 0.2373434), wk = 0.0024038 k( 221) = ( 0.3700000 -0.0000000 0.2373434), wk = 0.0024038 k( 222) = ( 0.3800000 -0.0000000 0.2373434), wk = 0.0024038 k( 223) = ( 0.3900000 -0.0000000 0.2373434), wk = 0.0024038 k( 224) = ( 0.4000000 -0.0000000 0.2373434), wk = 0.0024038 k( 225) = ( 0.4100000 -0.0000000 0.2373434), wk = 0.0024038 k( 226) = ( 0.4200000 -0.0000000 0.2373434), wk = 0.0024038 k( 227) = ( 0.4300000 -0.0000000 0.2373434), wk = 0.0024038 k( 228) = ( 0.4400000 -0.0000000 0.2373434), wk = 0.0024038 k( 229) = ( 0.4500000 -0.0000000 0.2373434), wk = 0.0024038 k( 230) = ( 0.4600000 -0.0000000 0.2373434), wk = 0.0024038 k( 231) = ( 0.4700000 -0.0000000 0.2373434), wk = 0.0024038 k( 232) = ( 0.4800000 -0.0000000 0.2373434), wk = 0.0024038 k( 233) = ( 0.4900000 -0.0000000 0.2373434), wk = 0.0024038 k( 234) = ( 0.5000000 -0.0000000 0.2373434), wk = 0.0024038 k( 235) = ( 0.5000000 -0.0000000 0.2373434), wk = 0.0024038 k( 236) = ( 0.5000000 0.0101511 0.2373434), wk = 0.0024038 k( 237) = ( 0.5000000 0.0203022 0.2373434), wk = 0.0024038 k( 238) = ( 0.5000000 0.0304533 0.2373434), wk = 0.0024038 k( 239) = ( 0.5000000 0.0406043 0.2373434), wk = 0.0024038 k( 240) = ( 0.5000000 0.0507554 0.2373434), wk = 0.0024038 k( 241) = ( 0.5000000 0.0609065 0.2373434), wk = 0.0024038 k( 242) = ( 0.5000000 0.0710576 0.2373434), wk = 0.0024038 k( 243) = ( 0.5000000 0.0812087 0.2373434), wk = 0.0024038 k( 244) = ( 0.5000000 0.0913598 0.2373434), wk = 0.0024038 k( 245) = ( 0.5000000 0.1015109 0.2373434), wk = 0.0024038 k( 246) = ( 0.5000000 0.1116620 0.2373434), wk = 0.0024038 k( 247) = ( 0.5000000 0.1218130 0.2373434), wk = 0.0024038 k( 248) = ( 0.5000000 0.1319641 0.2373434), wk = 0.0024038 k( 249) = ( 0.5000000 0.1421152 0.2373434), wk = 0.0024038 k( 250) = ( 0.5000000 0.1522663 0.2373434), wk = 0.0024038 k( 251) = ( 0.5000000 0.1624174 0.2373434), wk = 0.0024038 k( 252) = ( 0.5000000 0.1725685 0.2373434), wk = 0.0024038 k( 253) = ( 0.5000000 0.1827196 0.2373434), wk = 0.0024038 k( 254) = ( 0.5000000 0.1928706 0.2373434), wk = 0.0024038 k( 255) = ( 0.5000000 0.2030217 0.2373434), wk = 0.0024038 k( 256) = ( 0.5000000 0.2131728 0.2373434), wk = 0.0024038 k( 257) = ( 0.5000000 0.2233239 0.2373434), wk = 0.0024038 k( 258) = ( 0.5000000 0.2334750 0.2373434), wk = 0.0024038 k( 259) = ( 0.5000000 0.2436261 0.2373434), wk = 0.0024038 k( 260) = ( 0.5000000 0.2537772 0.2373434), wk = 0.0024038 k( 261) = ( 0.5000000 0.2639283 0.2373434), wk = 0.0024038 k( 262) = ( 0.5000000 0.2740793 0.2373434), wk = 0.0024038 k( 263) = ( 0.5000000 0.2740793 0.2373434), wk = 0.0024038 k( 264) = ( 0.4900000 0.2740793 0.2373434), wk = 0.0024038 k( 265) = ( 0.4800000 0.2740793 0.2373434), wk = 0.0024038 k( 266) = ( 0.4700000 0.2740793 0.2373434), wk = 0.0024038 k( 267) = ( 0.4600000 0.2740793 0.2373434), wk = 0.0024038 k( 268) = ( 0.4500000 0.2740793 0.2373434), wk = 0.0024038 k( 269) = ( 0.4400000 0.2740793 0.2373434), wk = 0.0024038 k( 270) = ( 0.4300000 0.2740793 0.2373434), wk = 0.0024038 k( 271) = ( 0.4200000 0.2740793 0.2373434), wk = 0.0024038 k( 272) = ( 0.4100000 0.2740793 0.2373434), wk = 0.0024038 k( 273) = ( 0.4000000 0.2740793 0.2373434), wk = 0.0024038 k( 274) = ( 0.3900000 0.2740793 0.2373434), wk = 0.0024038 k( 275) = ( 0.3800000 0.2740793 0.2373434), wk = 0.0024038 k( 276) = ( 0.3700000 0.2740793 0.2373434), wk = 0.0024038 k( 277) = ( 0.3600000 0.2740793 0.2373434), wk = 0.0024038 k( 278) = ( 0.3500000 0.2740793 0.2373434), wk = 0.0024038 k( 279) = ( 0.3400000 0.2740793 0.2373434), wk = 0.0024038 k( 280) = ( 0.3300000 0.2740793 0.2373434), wk = 0.0024038 k( 281) = ( 0.3200000 0.2740793 0.2373434), wk = 0.0024038 k( 282) = ( 0.3100000 0.2740793 0.2373434), wk = 0.0024038 k( 283) = ( 0.3000000 0.2740793 0.2373434), wk = 0.0024038 k( 284) = ( 0.2900000 0.2740793 0.2373434), wk = 0.0024038 k( 285) = ( 0.2800000 0.2740793 0.2373434), wk = 0.0024038 k( 286) = ( 0.2700000 0.2740793 0.2373434), wk = 0.0024038 k( 287) = ( 0.2600000 0.2740793 0.2373434), wk = 0.0024038 k( 288) = ( 0.2500000 0.2740793 0.2373434), wk = 0.0024038 k( 289) = ( 0.2400000 0.2740793 0.2373434), wk = 0.0024038 k( 290) = ( 0.2300000 0.2740793 0.2373434), wk = 0.0024038 k( 291) = ( 0.2200000 0.2740793 0.2373434), wk = 0.0024038 k( 292) = ( 0.2100000 0.2740793 0.2373434), wk = 0.0024038 k( 293) = ( 0.2000000 0.2740793 0.2373434), wk = 0.0024038 k( 294) = ( 0.1900000 0.2740793 0.2373434), wk = 0.0024038 k( 295) = ( 0.1800000 0.2740793 0.2373434), wk = 0.0024038 k( 296) = ( 0.1700000 0.2740793 0.2373434), wk = 0.0024038 k( 297) = ( 0.1600000 0.2740793 0.2373434), wk = 0.0024038 k( 298) = ( 0.1500000 0.2740793 0.2373434), wk = 0.0024038 k( 299) = ( 0.1400000 0.2740793 0.2373434), wk = 0.0024038 k( 300) = ( 0.1300000 0.2740793 0.2373434), wk = 0.0024038 k( 301) = ( 0.1200000 0.2740793 0.2373434), wk = 0.0024038 k( 302) = ( 0.1100000 0.2740793 0.2373434), wk = 0.0024038 k( 303) = ( 0.1000000 0.2740793 0.2373434), wk = 0.0024038 k( 304) = ( 0.0900000 0.2740793 0.2373434), wk = 0.0024038 k( 305) = ( 0.0800000 0.2740793 0.2373434), wk = 0.0024038 k( 306) = ( 0.0700000 0.2740793 0.2373434), wk = 0.0024038 k( 307) = ( 0.0600000 0.2740793 0.2373434), wk = 0.0024038 k( 308) = ( 0.0500000 0.2740793 0.2373434), wk = 0.0024038 k( 309) = ( 0.0400000 0.2740793 0.2373434), wk = 0.0024038 k( 310) = ( 0.0300000 0.2740793 0.2373434), wk = 0.0024038 k( 311) = ( 0.0200000 0.2740793 0.2373434), wk = 0.0024038 k( 312) = ( 0.0100000 0.2740793 0.2373434), wk = 0.0024038 k( 313) = ( 0.0000000 0.2740793 0.2373434), wk = 0.0024038 k( 314) = ( 0.0000000 0.2740793 0.2373434), wk = 0.0024038 k( 315) = ( 0.0000000 0.2639283 0.2373434), wk = 0.0024038 k( 316) = ( 0.0000000 0.2537772 0.2373434), wk = 0.0024038 k( 317) = ( 0.0000000 0.2436261 0.2373434), wk = 0.0024038 k( 318) = ( 0.0000000 0.2334750 0.2373434), wk = 0.0024038 k( 319) = ( 0.0000000 0.2233239 0.2373434), wk = 0.0024038 k( 320) = ( 0.0000000 0.2131728 0.2373434), wk = 0.0024038 k( 321) = ( 0.0000000 0.2030217 0.2373434), wk = 0.0024038 k( 322) = ( 0.0000000 0.1928706 0.2373434), wk = 0.0024038 k( 323) = ( 0.0000000 0.1827196 0.2373434), wk = 0.0024038 k( 324) = ( 0.0000000 0.1725685 0.2373434), wk = 0.0024038 k( 325) = ( 0.0000000 0.1624174 0.2373434), wk = 0.0024038 k( 326) = ( 0.0000000 0.1522663 0.2373434), wk = 0.0024038 k( 327) = ( 0.0000000 0.1421152 0.2373434), wk = 0.0024038 k( 328) = ( 0.0000000 0.1319641 0.2373434), wk = 0.0024038 k( 329) = ( 0.0000000 0.1218130 0.2373434), wk = 0.0024038 k( 330) = ( 0.0000000 0.1116620 0.2373434), wk = 0.0024038 k( 331) = ( 0.0000000 0.1015109 0.2373434), wk = 0.0024038 k( 332) = ( 0.0000000 0.0913598 0.2373434), wk = 0.0024038 k( 333) = ( 0.0000000 0.0812087 0.2373434), wk = 0.0024038 k( 334) = ( 0.0000000 0.0710576 0.2373434), wk = 0.0024038 k( 335) = ( 0.0000000 0.0609065 0.2373434), wk = 0.0024038 k( 336) = ( 0.0000000 0.0507554 0.2373434), wk = 0.0024038 k( 337) = ( 0.0000000 0.0406043 0.2373434), wk = 0.0024038 k( 338) = ( 0.0000000 0.0304533 0.2373434), wk = 0.0024038 k( 339) = ( 0.0000000 0.0203022 0.2373434), wk = 0.0024038 k( 340) = ( 0.0000000 0.0101511 0.2373434), wk = 0.0024038 k( 341) = ( 0.0000000 0.0000000 0.2373434), wk = 0.0024038 k( 342) = ( 0.0000000 0.2740793 -0.0000000), wk = 0.0024038 k( 343) = ( 0.0000000 0.2740793 0.0098893), wk = 0.0024038 k( 344) = ( 0.0000000 0.2740793 0.0197786), wk = 0.0024038 k( 345) = ( 0.0000000 0.2740793 0.0296679), wk = 0.0024038 k( 346) = ( 0.0000000 0.2740793 0.0395572), wk = 0.0024038 k( 347) = ( 0.0000000 0.2740793 0.0494465), wk = 0.0024038 k( 348) = ( 0.0000000 0.2740793 0.0593358), wk = 0.0024038 k( 349) = ( 0.0000000 0.2740793 0.0692251), wk = 0.0024038 k( 350) = ( 0.0000000 0.2740793 0.0791145), wk = 0.0024038 k( 351) = ( 0.0000000 0.2740793 0.0890038), wk = 0.0024038 k( 352) = ( 0.0000000 0.2740793 0.0988931), wk = 0.0024038 k( 353) = ( 0.0000000 0.2740793 0.1087824), wk = 0.0024038 k( 354) = ( 0.0000000 0.2740793 0.1186717), wk = 0.0024038 k( 355) = ( 0.0000000 0.2740793 0.1285610), wk = 0.0024038 k( 356) = ( 0.0000000 0.2740793 0.1384503), wk = 0.0024038 k( 357) = ( 0.0000000 0.2740793 0.1483396), wk = 0.0024038 k( 358) = ( 0.0000000 0.2740793 0.1582289), wk = 0.0024038 k( 359) = ( 0.0000000 0.2740793 0.1681182), wk = 0.0024038 k( 360) = ( 0.0000000 0.2740793 0.1780075), wk = 0.0024038 k( 361) = ( 0.0000000 0.2740793 0.1878968), wk = 0.0024038 k( 362) = ( 0.0000000 0.2740793 0.1977861), wk = 0.0024038 k( 363) = ( 0.0000000 0.2740793 0.2076754), wk = 0.0024038 k( 364) = ( 0.0000000 0.2740793 0.2175648), wk = 0.0024038 k( 365) = ( 0.0000000 0.2740793 0.2274541), wk = 0.0024038 k( 366) = ( 0.0000000 0.2740793 0.2373434), wk = 0.0024038 k( 367) = ( 0.5000000 -0.0000000 0.2373434), wk = 0.0024038 k( 368) = ( 0.5000000 -0.0000000 0.2274541), wk = 0.0024038 k( 369) = ( 0.5000000 -0.0000000 0.2175648), wk = 0.0024038 k( 370) = ( 0.5000000 -0.0000000 0.2076754), wk = 0.0024038 k( 371) = ( 0.5000000 -0.0000000 0.1977861), wk = 0.0024038 k( 372) = ( 0.5000000 -0.0000000 0.1878968), wk = 0.0024038 k( 373) = ( 0.5000000 -0.0000000 0.1780075), wk = 0.0024038 k( 374) = ( 0.5000000 -0.0000000 0.1681182), wk = 0.0024038 k( 375) = ( 0.5000000 -0.0000000 0.1582289), wk = 0.0024038 k( 376) = ( 0.5000000 -0.0000000 0.1483396), wk = 0.0024038 k( 377) = ( 0.5000000 -0.0000000 0.1384503), wk = 0.0024038 k( 378) = ( 0.5000000 -0.0000000 0.1285610), wk = 0.0024038 k( 379) = ( 0.5000000 -0.0000000 0.1186717), wk = 0.0024038 k( 380) = ( 0.5000000 -0.0000000 0.1087824), wk = 0.0024038 k( 381) = ( 0.5000000 -0.0000000 0.0988931), wk = 0.0024038 k( 382) = ( 0.5000000 -0.0000000 0.0890038), wk = 0.0024038 k( 383) = ( 0.5000000 -0.0000000 0.0791145), wk = 0.0024038 k( 384) = ( 0.5000000 -0.0000000 0.0692251), wk = 0.0024038 k( 385) = ( 0.5000000 -0.0000000 0.0593358), wk = 0.0024038 k( 386) = ( 0.5000000 -0.0000000 0.0494465), wk = 0.0024038 k( 387) = ( 0.5000000 -0.0000000 0.0395572), wk = 0.0024038 k( 388) = ( 0.5000000 -0.0000000 0.0296679), wk = 0.0024038 k( 389) = ( 0.5000000 -0.0000000 0.0197786), wk = 0.0024038 k( 390) = ( 0.5000000 -0.0000000 0.0098893), wk = 0.0024038 k( 391) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024038 k( 392) = ( 0.5000000 0.2740793 -0.0000000), wk = 0.0024038 k( 393) = ( 0.5000000 0.2740793 0.0098893), wk = 0.0024038 k( 394) = ( 0.5000000 0.2740793 0.0197786), wk = 0.0024038 k( 395) = ( 0.5000000 0.2740793 0.0296679), wk = 0.0024038 k( 396) = ( 0.5000000 0.2740793 0.0395572), wk = 0.0024038 k( 397) = ( 0.5000000 0.2740793 0.0494465), wk = 0.0024038 k( 398) = ( 0.5000000 0.2740793 0.0593358), wk = 0.0024038 k( 399) = ( 0.5000000 0.2740793 0.0692251), wk = 0.0024038 k( 400) = ( 0.5000000 0.2740793 0.0791145), wk = 0.0024038 k( 401) = ( 0.5000000 0.2740793 0.0890038), wk = 0.0024038 k( 402) = ( 0.5000000 0.2740793 0.0988931), wk = 0.0024038 k( 403) = ( 0.5000000 0.2740793 0.1087824), wk = 0.0024038 k( 404) = ( 0.5000000 0.2740793 0.1186717), wk = 0.0024038 k( 405) = ( 0.5000000 0.2740793 0.1285610), wk = 0.0024038 k( 406) = ( 0.5000000 0.2740793 0.1384503), wk = 0.0024038 k( 407) = ( 0.5000000 0.2740793 0.1483396), wk = 0.0024038 k( 408) = ( 0.5000000 0.2740793 0.1582289), wk = 0.0024038 k( 409) = ( 0.5000000 0.2740793 0.1681182), wk = 0.0024038 k( 410) = ( 0.5000000 0.2740793 0.1780075), wk = 0.0024038 k( 411) = ( 0.5000000 0.2740793 0.1878968), wk = 0.0024038 k( 412) = ( 0.5000000 0.2740793 0.1977861), wk = 0.0024038 k( 413) = ( 0.5000000 0.2740793 0.2076754), wk = 0.0024038 k( 414) = ( 0.5000000 0.2740793 0.2175648), wk = 0.0024038 k( 415) = ( 0.5000000 0.2740793 0.2274541), wk = 0.0024038 k( 416) = ( 0.5000000 0.2740793 0.2373434), wk = 0.0024038 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0024038 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0024038 k( 4) = ( 0.0300000 -0.0000000 0.0000000), wk = 0.0024038 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0024038 k( 6) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0024038 k( 7) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0024038 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0024038 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0024038 k( 11) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0024038 k( 12) = ( 0.1100000 -0.0000000 0.0000000), wk = 0.0024038 k( 13) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0024038 k( 14) = ( 0.1300000 -0.0000000 0.0000000), wk = 0.0024038 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0024038 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0024038 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0024038 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0024038 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0024038 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 21) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0024038 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 23) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0024038 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0024038 k( 25) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0024038 k( 26) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024038 k( 27) = ( 0.2600000 -0.0000000 0.0000000), wk = 0.0024038 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0024038 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0024038 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0024038 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0024038 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0024038 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0024038 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0024038 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0024038 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0024038 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0024038 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0024038 k( 41) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0024038 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0024038 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0024038 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0024038 k( 45) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0024038 k( 46) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0024038 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0024038 k( 48) = ( 0.4700000 0.0000000 -0.0000000), wk = 0.0024038 k( 49) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0024038 k( 50) = ( 0.4900000 0.0000000 -0.0000000), wk = 0.0024038 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024038 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024038 k( 53) = ( 0.5000000 0.0185185 0.0000000), wk = 0.0024038 k( 54) = ( 0.5000000 0.0370370 0.0000000), wk = 0.0024038 k( 55) = ( 0.5000000 0.0555556 -0.0000000), wk = 0.0024038 k( 56) = ( 0.5000000 0.0740741 -0.0000000), wk = 0.0024038 k( 57) = ( 0.5000000 0.0925926 -0.0000000), wk = 0.0024038 k( 58) = ( 0.5000000 0.1111111 -0.0000000), wk = 0.0024038 k( 59) = ( 0.5000000 0.1296296 -0.0000000), wk = 0.0024038 k( 60) = ( 0.5000000 0.1481482 -0.0000000), wk = 0.0024038 k( 61) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0024038 k( 62) = ( 0.5000000 0.1851852 0.0000000), wk = 0.0024038 k( 63) = ( 0.5000000 0.2037037 -0.0000000), wk = 0.0024038 k( 64) = ( 0.5000000 0.2222222 -0.0000000), wk = 0.0024038 k( 65) = ( 0.5000000 0.2407407 0.0000000), wk = 0.0024038 k( 66) = ( 0.5000000 0.2592593 0.0000000), wk = 0.0024038 k( 67) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0024038 k( 68) = ( 0.5000000 0.2962963 -0.0000000), wk = 0.0024038 k( 69) = ( 0.5000000 0.3148148 0.0000000), wk = 0.0024038 k( 70) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0024038 k( 71) = ( 0.5000000 0.3518519 0.0000000), wk = 0.0024038 k( 72) = ( 0.5000000 0.3703704 -0.0000000), wk = 0.0024038 k( 73) = ( 0.5000000 0.3888889 -0.0000000), wk = 0.0024038 k( 74) = ( 0.5000000 0.4074074 -0.0000000), wk = 0.0024038 k( 75) = ( 0.5000000 0.4259259 -0.0000000), wk = 0.0024038 k( 76) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0024038 k( 77) = ( 0.5000000 0.4629630 -0.0000000), wk = 0.0024038 k( 78) = ( 0.5000000 0.4814815 0.0000000), wk = 0.0024038 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024038 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024038 k( 81) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0024038 k( 82) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0024038 k( 83) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0024038 k( 84) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0024038 k( 85) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0024038 k( 86) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0024038 k( 87) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0024038 k( 88) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0024038 k( 89) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0024038 k( 90) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0024038 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0024038 k( 92) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0024038 k( 93) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0024038 k( 94) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0024038 k( 95) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0024038 k( 96) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0024038 k( 97) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0024038 k( 98) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0024038 k( 99) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0024038 k( 100) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0024038 k( 101) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0024038 k( 102) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0024038 k( 103) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0024038 k( 104) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0024038 k( 105) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0024038 k( 106) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0024038 k( 107) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0024038 k( 108) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0024038 k( 109) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0024038 k( 110) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0024038 k( 111) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0024038 k( 112) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0024038 k( 113) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0024038 k( 114) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0024038 k( 115) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0024038 k( 116) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0024038 k( 117) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0024038 k( 118) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0024038 k( 119) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0024038 k( 120) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0024038 k( 121) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0024038 k( 122) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0024038 k( 123) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0024038 k( 124) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0024038 k( 125) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0024038 k( 126) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0024038 k( 127) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0024038 k( 128) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0024038 k( 129) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0024038 k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024038 k( 131) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024038 k( 132) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0024038 k( 133) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0024038 k( 134) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0024038 k( 135) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0024038 k( 136) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0024038 k( 137) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0024038 k( 138) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0024038 k( 139) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0024038 k( 140) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0024038 k( 141) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0024038 k( 142) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0024038 k( 143) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0024038 k( 144) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0024038 k( 145) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0024038 k( 146) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0024038 k( 147) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0024038 k( 148) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0024038 k( 149) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024038 k( 150) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0024038 k( 151) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0024038 k( 152) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0024038 k( 153) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0024038 k( 154) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0024038 k( 155) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0024038 k( 156) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0024038 k( 157) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0024038 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 160) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0024038 k( 161) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0024038 k( 162) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024038 k( 163) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024038 k( 164) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0024038 k( 165) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024038 k( 166) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0024038 k( 167) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024038 k( 168) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024038 k( 169) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0024038 k( 170) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0024038 k( 171) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024038 k( 172) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0024038 k( 173) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0024038 k( 174) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024038 k( 175) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024038 k( 176) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0024038 k( 177) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024038 k( 178) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0024038 k( 179) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024038 k( 180) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024038 k( 181) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0024038 k( 182) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0024038 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024038 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024038 k( 185) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0024038 k( 186) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0024038 k( 187) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0024038 k( 188) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0024038 k( 189) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0024038 k( 190) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0024038 k( 191) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0024038 k( 192) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0024038 k( 193) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0024038 k( 194) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0024038 k( 195) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0024038 k( 196) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0024038 k( 197) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0024038 k( 198) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0024038 k( 199) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0024038 k( 200) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0024038 k( 201) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0024038 k( 202) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0024038 k( 203) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0024038 k( 204) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0024038 k( 205) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0024038 k( 206) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0024038 k( 207) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0024038 k( 208) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0024038 k( 209) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024038 k( 210) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0024038 k( 211) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0024038 k( 212) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0024038 k( 213) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0024038 k( 214) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0024038 k( 215) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0024038 k( 216) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0024038 k( 217) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0024038 k( 218) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0024038 k( 219) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0024038 k( 220) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0024038 k( 221) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0024038 k( 222) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0024038 k( 223) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0024038 k( 224) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0024038 k( 225) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0024038 k( 226) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0024038 k( 227) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0024038 k( 228) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0024038 k( 229) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0024038 k( 230) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0024038 k( 231) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0024038 k( 232) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0024038 k( 233) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0024038 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024038 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024038 k( 236) = ( 0.5000000 0.0185185 0.5000000), wk = 0.0024038 k( 237) = ( 0.5000000 0.0370370 0.5000000), wk = 0.0024038 k( 238) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0024038 k( 239) = ( 0.5000000 0.0740741 0.5000000), wk = 0.0024038 k( 240) = ( 0.5000000 0.0925926 0.5000000), wk = 0.0024038 k( 241) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0024038 k( 242) = ( 0.5000000 0.1296296 0.5000000), wk = 0.0024038 k( 243) = ( 0.5000000 0.1481482 0.5000000), wk = 0.0024038 k( 244) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0024038 k( 245) = ( 0.5000000 0.1851852 0.5000000), wk = 0.0024038 k( 246) = ( 0.5000000 0.2037037 0.5000000), wk = 0.0024038 k( 247) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0024038 k( 248) = ( 0.5000000 0.2407407 0.5000000), wk = 0.0024038 k( 249) = ( 0.5000000 0.2592593 0.5000000), wk = 0.0024038 k( 250) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0024038 k( 251) = ( 0.5000000 0.2962963 0.5000000), wk = 0.0024038 k( 252) = ( 0.5000000 0.3148148 0.5000000), wk = 0.0024038 k( 253) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0024038 k( 254) = ( 0.5000000 0.3518519 0.5000000), wk = 0.0024038 k( 255) = ( 0.5000000 0.3703704 0.5000000), wk = 0.0024038 k( 256) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0024038 k( 257) = ( 0.5000000 0.4074074 0.5000000), wk = 0.0024038 k( 258) = ( 0.5000000 0.4259259 0.5000000), wk = 0.0024038 k( 259) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0024038 k( 260) = ( 0.5000000 0.4629630 0.5000000), wk = 0.0024038 k( 261) = ( 0.5000000 0.4814815 0.5000000), wk = 0.0024038 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024038 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024038 k( 264) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0024038 k( 265) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0024038 k( 266) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0024038 k( 267) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0024038 k( 268) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0024038 k( 269) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0024038 k( 270) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0024038 k( 271) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0024038 k( 272) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0024038 k( 273) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0024038 k( 274) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0024038 k( 275) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0024038 k( 276) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0024038 k( 277) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0024038 k( 278) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0024038 k( 279) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0024038 k( 280) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0024038 k( 281) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0024038 k( 282) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0024038 k( 283) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0024038 k( 284) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0024038 k( 285) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0024038 k( 286) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0024038 k( 287) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0024038 k( 288) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0024038 k( 289) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0024038 k( 290) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0024038 k( 291) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0024038 k( 292) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0024038 k( 293) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0024038 k( 294) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0024038 k( 295) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0024038 k( 296) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0024038 k( 297) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0024038 k( 298) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0024038 k( 299) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0024038 k( 300) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0024038 k( 301) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0024038 k( 302) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0024038 k( 303) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0024038 k( 304) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0024038 k( 305) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0024038 k( 306) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0024038 k( 307) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0024038 k( 308) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0024038 k( 309) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0024038 k( 310) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0024038 k( 311) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0024038 k( 312) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0024038 k( 313) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024038 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024038 k( 315) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0024038 k( 316) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0024038 k( 317) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0024038 k( 318) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0024038 k( 319) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0024038 k( 320) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0024038 k( 321) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0024038 k( 322) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0024038 k( 323) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024038 k( 324) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0024038 k( 325) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0024038 k( 326) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0024038 k( 327) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0024038 k( 328) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0024038 k( 329) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0024038 k( 330) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0024038 k( 331) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0024038 k( 332) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024038 k( 333) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0024038 k( 334) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0024038 k( 335) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0024038 k( 336) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0024038 k( 337) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0024038 k( 338) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0024038 k( 339) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0024038 k( 340) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0024038 k( 341) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024038 k( 342) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024038 k( 343) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0024038 k( 344) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0024038 k( 345) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0024038 k( 346) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024038 k( 347) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0024038 k( 348) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024038 k( 349) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0024038 k( 350) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024038 k( 351) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0024038 k( 352) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0024038 k( 353) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0024038 k( 354) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024038 k( 355) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0024038 k( 356) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0024038 k( 357) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0024038 k( 358) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024038 k( 359) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0024038 k( 360) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024038 k( 361) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0024038 k( 362) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024038 k( 363) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0024038 k( 364) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0024038 k( 365) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0024038 k( 366) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024038 k( 367) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024038 k( 368) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0024038 k( 369) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0024038 k( 370) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0024038 k( 371) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0024038 k( 372) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0024038 k( 373) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0024038 k( 374) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0024038 k( 375) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0024038 k( 376) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0024038 k( 377) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0024038 k( 378) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0024038 k( 379) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0024038 k( 380) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0024038 k( 381) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0024038 k( 382) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0024038 k( 383) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0024038 k( 384) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0024038 k( 385) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0024038 k( 386) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0024038 k( 387) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0024038 k( 388) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0024038 k( 389) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0024038 k( 390) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0024038 k( 391) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024038 k( 392) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024038 k( 393) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0024038 k( 394) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0024038 k( 395) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0024038 k( 396) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0024038 k( 397) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0024038 k( 398) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0024038 k( 399) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0024038 k( 400) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0024038 k( 401) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0024038 k( 402) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0024038 k( 403) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0024038 k( 404) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024038 k( 405) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0024038 k( 406) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0024038 k( 407) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0024038 k( 408) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0024038 k( 409) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0024038 k( 410) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0024038 k( 411) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0024038 k( 412) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0024038 k( 413) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0024038 k( 414) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0024038 k( 415) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0024038 k( 416) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024038 Dense grid: 53829 G-vectors FFT dimensions: ( 30, 60, 64) Smooth grid: 35767 G-vectors FFT dimensions: ( 27, 48, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 272, 44) NL pseudopotentials 0.42 Mb ( 136, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1493) G-vector shells 0.01 Mb ( 742) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.73 Mb ( 272, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.27 Mb ( 204, 2, 44) The potential is recalculated from file : ./FeSb2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 7.9 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.1 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.3 secs Computing kpt #: 21 total cpu time spent up to now is 10.7 secs Computing kpt #: 22 total cpu time spent up to now is 11.1 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.2 secs Computing kpt #: 26 total cpu time spent up to now is 12.6 secs Computing kpt #: 27 total cpu time spent up to now is 13.1 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.9 secs Computing kpt #: 30 total cpu time spent up to now is 14.5 secs Computing kpt #: 31 total cpu time spent up to now is 15.1 secs Computing kpt #: 32 total cpu time spent up to now is 15.8 secs Computing kpt #: 33 total cpu time spent up to now is 16.6 secs Computing kpt #: 34 total cpu time spent up to now is 17.3 secs Computing kpt #: 35 total cpu time spent up to now is 17.9 secs Computing kpt #: 36 total cpu time spent up to now is 18.5 secs Computing kpt #: 37 total cpu time spent up to now is 19.0 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 20.0 secs Computing kpt #: 40 total cpu time spent up to now is 20.5 secs Computing kpt #: 41 total cpu time spent up to now is 21.0 secs Computing kpt #: 42 total cpu time spent up to now is 21.4 secs Computing kpt #: 43 total cpu time spent up to now is 21.9 secs Computing kpt #: 44 total cpu time spent up to now is 22.4 secs Computing kpt #: 45 total cpu time spent up to now is 23.0 secs Computing kpt #: 46 total cpu time spent up to now is 23.8 secs Computing kpt #: 47 total cpu time spent up to now is 24.4 secs Computing kpt #: 48 total cpu time spent up to now is 25.0 secs Computing kpt #: 49 total cpu time spent up to now is 25.3 secs Computing kpt #: 50 total cpu time spent up to now is 25.7 secs Computing kpt #: 51 total cpu time spent up to now is 26.1 secs Computing kpt #: 52 total cpu time spent up to now is 26.5 secs Computing kpt #: 53 total cpu time spent up to now is 26.9 secs Computing kpt #: 54 total cpu time spent up to now is 27.3 secs Computing kpt #: 55 total cpu time spent up to now is 27.7 secs Computing kpt #: 56 total cpu time spent up to now is 28.2 secs Computing kpt #: 57 total cpu time spent up to now is 28.7 secs Computing kpt #: 58 total cpu time spent up to now is 29.1 secs Computing kpt #: 59 total cpu time spent up to now is 29.6 secs Computing kpt #: 60 total cpu time spent up to now is 30.0 secs Computing kpt #: 61 total cpu time spent up to now is 30.5 secs Computing kpt #: 62 total cpu time spent up to now is 31.0 secs Computing kpt #: 63 total cpu time spent up to now is 31.4 secs Computing kpt #: 64 total cpu time spent up to now is 31.9 secs Computing kpt #: 65 total cpu time spent up to now is 32.4 secs Computing kpt #: 66 total cpu time spent up to now is 32.8 secs Computing kpt #: 67 total cpu time spent up to now is 33.2 secs Computing kpt #: 68 total cpu time spent up to now is 33.6 secs Computing kpt #: 69 total cpu time spent up to now is 34.0 secs Computing kpt #: 70 total cpu time spent up to now is 34.3 secs Computing kpt #: 71 total cpu time spent up to now is 34.7 secs Computing kpt #: 72 total cpu time spent up to now is 35.1 secs Computing kpt #: 73 total cpu time spent up to now is 35.5 secs Computing kpt #: 74 total cpu time spent up to now is 35.9 secs Computing kpt #: 75 total cpu time spent up to now is 36.2 secs Computing kpt #: 76 total cpu time spent up to now is 36.6 secs Computing kpt #: 77 total cpu time spent up to now is 36.9 secs Computing kpt #: 78 total cpu time spent up to now is 37.3 secs Computing kpt #: 79 total cpu time spent up to now is 37.6 secs Computing kpt #: 80 total cpu time spent up to now is 37.9 secs Computing kpt #: 81 total cpu time spent up to now is 38.3 secs Computing kpt #: 82 total cpu time spent up to now is 38.6 secs Computing kpt #: 83 total cpu time spent up to now is 39.0 secs Computing kpt #: 84 total cpu time spent up to now is 39.3 secs Computing kpt #: 85 total cpu time spent up to now is 39.7 secs Computing kpt #: 86 total cpu time spent up to now is 40.0 secs Computing kpt #: 87 total cpu time spent up to now is 40.4 secs Computing kpt #: 88 total cpu time spent up to now is 40.7 secs Computing kpt #: 89 total cpu time spent up to now is 41.1 secs Computing kpt #: 90 total cpu time spent up to now is 41.5 secs Computing kpt #: 91 total cpu time spent up to now is 41.8 secs Computing kpt #: 92 total cpu time spent up to now is 42.2 secs Computing kpt #: 93 total cpu time spent up to now is 42.6 secs Computing kpt #: 94 total cpu time spent up to now is 43.0 secs Computing kpt #: 95 total cpu time spent up to now is 43.3 secs Computing kpt #: 96 total cpu time spent up to now is 43.7 secs Computing kpt #: 97 total cpu time spent up to now is 44.1 secs Computing kpt #: 98 total cpu time spent up to now is 44.5 secs Computing kpt #: 99 total cpu time spent up to now is 44.9 secs Computing kpt #: 100 total cpu time spent up to now is 45.3 secs Computing kpt #: 101 total cpu time spent up to now is 45.7 secs Computing kpt #: 102 total cpu time spent up to now is 46.0 secs Computing kpt #: 103 total cpu time spent up to now is 46.4 secs Computing kpt #: 104 total cpu time spent up to now is 46.8 secs Computing kpt #: 105 total cpu time spent up to now is 47.2 secs Computing kpt #: 106 total cpu time spent up to now is 47.7 secs Computing kpt #: 107 total cpu time spent up to now is 48.1 secs Computing kpt #: 108 total cpu time spent up to now is 48.4 secs Computing kpt #: 109 total cpu time spent up to now is 48.9 secs Computing kpt #: 110 total cpu time spent up to now is 49.4 secs Computing kpt #: 111 total cpu time spent up to now is 50.0 secs Computing kpt #: 112 total cpu time spent up to now is 50.6 secs Computing kpt #: 113 total cpu time spent up to now is 51.3 secs Computing kpt #: 114 total cpu time spent up to now is 51.8 secs Computing kpt #: 115 total cpu time spent up to now is 52.4 secs Computing kpt #: 116 total cpu time spent up to now is 52.9 secs Computing kpt #: 117 total cpu time spent up to now is 53.4 secs Computing kpt #: 118 total cpu time spent up to now is 54.0 secs Computing kpt #: 119 total cpu time spent up to now is 54.6 secs Computing kpt #: 120 total cpu time spent up to now is 55.3 secs Computing kpt #: 121 total cpu time spent up to now is 55.9 secs Computing kpt #: 122 total cpu time spent up to now is 56.5 secs Computing kpt #: 123 total cpu time spent up to now is 57.1 secs Computing kpt #: 124 total cpu time spent up to now is 57.6 secs Computing kpt #: 125 total cpu time spent up to now is 58.0 secs Computing kpt #: 126 total cpu time spent up to now is 58.5 secs Computing kpt #: 127 total cpu time spent up to now is 58.9 secs Computing kpt #: 128 total cpu time spent up to now is 59.3 secs Computing kpt #: 129 total cpu time spent up to now is 59.7 secs Computing kpt #: 130 total cpu time spent up to now is 60.1 secs Computing kpt #: 131 total cpu time spent up to now is 60.5 secs Computing kpt #: 132 total cpu time spent up to now is 60.9 secs Computing kpt #: 133 total cpu time spent up to now is 61.3 secs Computing kpt #: 134 total cpu time spent up to now is 61.8 secs Computing kpt #: 135 total cpu time spent up to now is 62.4 secs Computing kpt #: 136 total cpu time spent up to now is 63.0 secs Computing kpt #: 137 total cpu time spent up to now is 63.6 secs Computing kpt #: 138 total cpu time spent up to now is 64.1 secs Computing kpt #: 139 total cpu time spent up to now is 64.7 secs Computing kpt #: 140 total cpu time spent up to now is 65.2 secs Computing kpt #: 141 total cpu time spent up to now is 65.8 secs Computing kpt #: 142 total cpu time spent up to now is 66.4 secs Computing kpt #: 143 total cpu time spent up to now is 67.0 secs Computing kpt #: 144 total cpu time spent up to now is 67.6 secs Computing kpt #: 145 total cpu time spent up to now is 68.1 secs Computing kpt #: 146 total cpu time spent up to now is 68.7 secs Computing kpt #: 147 total cpu time spent up to now is 69.3 secs Computing kpt #: 148 total cpu time spent up to now is 69.9 secs Computing kpt #: 149 total cpu time spent up to now is 70.4 secs Computing kpt #: 150 total cpu time spent up to now is 70.9 secs Computing kpt #: 151 total cpu time spent up to now is 71.4 secs Computing kpt #: 152 total cpu time spent up to now is 71.9 secs Computing kpt #: 153 total cpu time spent up to now is 72.3 secs Computing kpt #: 154 total cpu time spent up to now is 72.8 secs Computing kpt #: 155 total cpu time spent up to now is 73.2 secs Computing kpt #: 156 total cpu time spent up to now is 73.6 secs Computing kpt #: 157 total cpu time spent up to now is 74.0 secs Computing kpt #: 158 total cpu time spent up to now is 74.4 secs Computing kpt #: 159 total cpu time spent up to now is 74.8 secs Computing kpt #: 160 total cpu time spent up to now is 75.2 secs Computing kpt #: 161 total cpu time spent up to now is 75.7 secs Computing kpt #: 162 total cpu time spent up to now is 76.1 secs Computing kpt #: 163 total cpu time spent up to now is 76.5 secs Computing kpt #: 164 total cpu time spent up to now is 76.9 secs Computing kpt #: 165 total cpu time spent up to now is 77.3 secs Computing kpt #: 166 total cpu time spent up to now is 77.7 secs Computing kpt #: 167 total cpu time spent up to now is 78.2 secs Computing kpt #: 168 total cpu time spent up to now is 78.6 secs Computing kpt #: 169 total cpu time spent up to now is 79.0 secs Computing kpt #: 170 total cpu time spent up to now is 79.4 secs Computing kpt #: 171 total cpu time spent up to now is 79.8 secs Computing kpt #: 172 total cpu time spent up to now is 80.2 secs Computing kpt #: 173 total cpu time spent up to now is 80.6 secs Computing kpt #: 174 total cpu time spent up to now is 81.0 secs Computing kpt #: 175 total cpu time spent up to now is 81.4 secs Computing kpt #: 176 total cpu time spent up to now is 81.9 secs Computing kpt #: 177 total cpu time spent up to now is 82.4 secs Computing kpt #: 178 total cpu time spent up to now is 83.1 secs Computing kpt #: 179 total cpu time spent up to now is 83.7 secs Computing kpt #: 180 total cpu time spent up to now is 84.3 secs Computing kpt #: 181 total cpu time spent up to now is 84.7 secs Computing kpt #: 182 total cpu time spent up to now is 85.2 secs Computing kpt #: 183 total cpu time spent up to now is 85.6 secs Computing kpt #: 184 total cpu time spent up to now is 86.0 secs Computing kpt #: 185 total cpu time spent up to now is 86.4 secs Computing kpt #: 186 total cpu time spent up to now is 86.8 secs Computing kpt #: 187 total cpu time spent up to now is 87.2 secs Computing kpt #: 188 total cpu time spent up to now is 87.6 secs Computing kpt #: 189 total cpu time spent up to now is 88.1 secs Computing kpt #: 190 total cpu time spent up to now is 88.5 secs Computing kpt #: 191 total cpu time spent up to now is 89.0 secs Computing kpt #: 192 total cpu time spent up to now is 89.5 secs Computing kpt #: 193 total cpu time spent up to now is 90.0 secs Computing kpt #: 194 total cpu time spent up to now is 90.6 secs Computing kpt #: 195 total cpu time spent up to now is 91.2 secs Computing kpt #: 196 total cpu time spent up to now is 91.7 secs Computing kpt #: 197 total cpu time spent up to now is 92.2 secs Computing kpt #: 198 total cpu time spent up to now is 92.7 secs Computing kpt #: 199 total cpu time spent up to now is 93.2 secs Computing kpt #: 200 total cpu time spent up to now is 93.7 secs Computing kpt #: 201 total cpu time spent up to now is 94.2 secs Computing kpt #: 202 total cpu time spent up to now is 94.7 secs Computing kpt #: 203 total cpu time spent up to now is 95.2 secs Computing kpt #: 204 total cpu time spent up to now is 95.8 secs Computing kpt #: 205 total cpu time spent up to now is 96.4 secs Computing kpt #: 206 total cpu time spent up to now is 97.0 secs Computing kpt #: 207 total cpu time spent up to now is 97.6 secs Computing kpt #: 208 total cpu time spent up to now is 98.2 secs Computing kpt #: 209 total cpu time spent up to now is 98.7 secs Computing kpt #: 210 total cpu time spent up to now is 99.3 secs Computing kpt #: 211 total cpu time spent up to now is 99.8 secs Computing kpt #: 212 total cpu time spent up to now is 100.2 secs Computing kpt #: 213 total cpu time spent up to now is 100.7 secs Computing kpt #: 214 total cpu time spent up to now is 101.0 secs Computing kpt #: 215 total cpu time spent up to now is 101.4 secs Computing kpt #: 216 total cpu time spent up to now is 101.8 secs Computing kpt #: 217 total cpu time spent up to now is 102.2 secs Computing kpt #: 218 total cpu time spent up to now is 102.5 secs Computing kpt #: 219 total cpu time spent up to now is 102.9 secs Computing kpt #: 220 total cpu time spent up to now is 103.3 secs Computing kpt #: 221 total cpu time spent up to now is 103.7 secs Computing kpt #: 222 total cpu time spent up to now is 104.0 secs Computing kpt #: 223 total cpu time spent up to now is 104.4 secs Computing kpt #: 224 total cpu time spent up to now is 104.8 secs Computing kpt #: 225 total cpu time spent up to now is 105.1 secs Computing kpt #: 226 total cpu time spent up to now is 105.5 secs Computing kpt #: 227 total cpu time spent up to now is 105.9 secs Computing kpt #: 228 total cpu time spent up to now is 106.2 secs Computing kpt #: 229 total cpu time spent up to now is 106.6 secs Computing kpt #: 230 total cpu time spent up to now is 107.0 secs Computing kpt #: 231 total cpu time spent up to now is 107.3 secs Computing kpt #: 232 total cpu time spent up to now is 107.7 secs Computing kpt #: 233 total cpu time spent up to now is 108.1 secs Computing kpt #: 234 total cpu time spent up to now is 108.4 secs Computing kpt #: 235 total cpu time spent up to now is 108.8 secs Computing kpt #: 236 total cpu time spent up to now is 109.2 secs Computing kpt #: 237 total cpu time spent up to now is 109.5 secs Computing kpt #: 238 total cpu time spent up to now is 109.9 secs Computing kpt #: 239 total cpu time spent up to now is 110.3 secs Computing kpt #: 240 total cpu time spent up to now is 110.6 secs Computing kpt #: 241 total cpu time spent up to now is 111.0 secs Computing kpt #: 242 total cpu time spent up to now is 111.4 secs Computing kpt #: 243 total cpu time spent up to now is 111.7 secs Computing kpt #: 244 total cpu time spent up to now is 112.1 secs Computing kpt #: 245 total cpu time spent up to now is 112.5 secs Computing kpt #: 246 total cpu time spent up to now is 112.8 secs Computing kpt #: 247 total cpu time spent up to now is 113.2 secs Computing kpt #: 248 total cpu time spent up to now is 113.6 secs Computing kpt #: 249 total cpu time spent up to now is 114.0 secs Computing kpt #: 250 total cpu time spent up to now is 114.3 secs Computing kpt #: 251 total cpu time spent up to now is 114.7 secs Computing kpt #: 252 total cpu time spent up to now is 115.1 secs Computing kpt #: 253 total cpu time spent up to now is 115.5 secs Computing kpt #: 254 total cpu time spent up to now is 116.0 secs Computing kpt #: 255 total cpu time spent up to now is 116.4 secs Computing kpt #: 256 total cpu time spent up to now is 116.8 secs Computing kpt #: 257 total cpu time spent up to now is 117.3 secs Computing kpt #: 258 total cpu time spent up to now is 117.8 secs Computing kpt #: 259 total cpu time spent up to now is 118.2 secs Computing kpt #: 260 total cpu time spent up to now is 118.7 secs Computing kpt #: 261 total cpu time spent up to now is 119.2 secs Computing kpt #: 262 total cpu time spent up to now is 119.6 secs Computing kpt #: 263 total cpu time spent up to now is 120.1 secs Computing kpt #: 264 total cpu time spent up to now is 120.6 secs Computing kpt #: 265 total cpu time spent up to now is 121.0 secs Computing kpt #: 266 total cpu time spent up to now is 121.5 secs Computing kpt #: 267 total cpu time spent up to now is 122.0 secs Computing kpt #: 268 total cpu time spent up to now is 122.4 secs Computing kpt #: 269 total cpu time spent up to now is 122.9 secs Computing kpt #: 270 total cpu time spent up to now is 123.3 secs Computing kpt #: 271 total cpu time spent up to now is 123.7 secs Computing kpt #: 272 total cpu time spent up to now is 124.1 secs Computing kpt #: 273 total cpu time spent up to now is 124.5 secs Computing kpt #: 274 total cpu time spent up to now is 124.9 secs Computing kpt #: 275 total cpu time spent up to now is 125.3 secs Computing kpt #: 276 total cpu time spent up to now is 125.7 secs Computing kpt #: 277 total cpu time spent up to now is 126.1 secs Computing kpt #: 278 total cpu time spent up to now is 126.5 secs Computing kpt #: 279 total cpu time spent up to now is 126.9 secs Computing kpt #: 280 total cpu time spent up to now is 127.2 secs Computing kpt #: 281 total cpu time spent up to now is 127.6 secs Computing kpt #: 282 total cpu time spent up to now is 128.0 secs Computing kpt #: 283 total cpu time spent up to now is 128.3 secs Computing kpt #: 284 total cpu time spent up to now is 128.7 secs Computing kpt #: 285 total cpu time spent up to now is 129.1 secs Computing kpt #: 286 total cpu time spent up to now is 129.5 secs Computing kpt #: 287 total cpu time spent up to now is 130.0 secs Computing kpt #: 288 total cpu time spent up to now is 130.4 secs Computing kpt #: 289 total cpu time spent up to now is 130.9 secs Computing kpt #: 290 total cpu time spent up to now is 131.3 secs Computing kpt #: 291 total cpu time spent up to now is 131.8 secs Computing kpt #: 292 total cpu time spent up to now is 132.3 secs Computing kpt #: 293 total cpu time spent up to now is 132.7 secs Computing kpt #: 294 total cpu time spent up to now is 133.2 secs Computing kpt #: 295 total cpu time spent up to now is 133.7 secs Computing kpt #: 296 total cpu time spent up to now is 134.2 secs Computing kpt #: 297 total cpu time spent up to now is 134.6 secs Computing kpt #: 298 total cpu time spent up to now is 135.0 secs Computing kpt #: 299 total cpu time spent up to now is 135.4 secs Computing kpt #: 300 total cpu time spent up to now is 136.0 secs Computing kpt #: 301 total cpu time spent up to now is 136.6 secs Computing kpt #: 302 total cpu time spent up to now is 137.2 secs Computing kpt #: 303 total cpu time spent up to now is 137.7 secs Computing kpt #: 304 total cpu time spent up to now is 138.3 secs Computing kpt #: 305 total cpu time spent up to now is 138.8 secs Computing kpt #: 306 total cpu time spent up to now is 139.4 secs Computing kpt #: 307 total cpu time spent up to now is 139.8 secs Computing kpt #: 308 total cpu time spent up to now is 140.3 secs Computing kpt #: 309 total cpu time spent up to now is 140.7 secs Computing kpt #: 310 total cpu time spent up to now is 141.1 secs Computing kpt #: 311 total cpu time spent up to now is 141.6 secs Computing kpt #: 312 total cpu time spent up to now is 142.0 secs Computing kpt #: 313 total cpu time spent up to now is 142.4 secs Computing kpt #: 314 total cpu time spent up to now is 142.8 secs Computing kpt #: 315 total cpu time spent up to now is 143.2 secs Computing kpt #: 316 total cpu time spent up to now is 143.6 secs Computing kpt #: 317 total cpu time spent up to now is 144.0 secs Computing kpt #: 318 total cpu time spent up to now is 144.5 secs Computing kpt #: 319 total cpu time spent up to now is 144.9 secs Computing kpt #: 320 total cpu time spent up to now is 145.3 secs Computing kpt #: 321 total cpu time spent up to now is 145.8 secs Computing kpt #: 322 total cpu time spent up to now is 146.3 secs Computing kpt #: 323 total cpu time spent up to now is 146.7 secs Computing kpt #: 324 total cpu time spent up to now is 147.1 secs Computing kpt #: 325 total cpu time spent up to now is 147.6 secs Computing kpt #: 326 total cpu time spent up to now is 148.0 secs Computing kpt #: 327 total cpu time spent up to now is 148.4 secs Computing kpt #: 328 total cpu time spent up to now is 148.8 secs Computing kpt #: 329 total cpu time spent up to now is 149.2 secs Computing kpt #: 330 total cpu time spent up to now is 149.7 secs Computing kpt #: 331 total cpu time spent up to now is 150.1 secs Computing kpt #: 332 total cpu time spent up to now is 150.6 secs Computing kpt #: 333 total cpu time spent up to now is 151.2 secs Computing kpt #: 334 total cpu time spent up to now is 151.6 secs Computing kpt #: 335 total cpu time spent up to now is 152.1 secs Computing kpt #: 336 total cpu time spent up to now is 152.5 secs Computing kpt #: 337 total cpu time spent up to now is 153.0 secs Computing kpt #: 338 total cpu time spent up to now is 153.4 secs Computing kpt #: 339 total cpu time spent up to now is 153.9 secs Computing kpt #: 340 total cpu time spent up to now is 154.2 secs Computing kpt #: 341 total cpu time spent up to now is 154.6 secs Computing kpt #: 342 total cpu time spent up to now is 155.0 secs Computing kpt #: 343 total cpu time spent up to now is 155.4 secs Computing kpt #: 344 total cpu time spent up to now is 155.8 secs Computing kpt #: 345 total cpu time spent up to now is 156.2 secs Computing kpt #: 346 total cpu time spent up to now is 156.6 secs Computing kpt #: 347 total cpu time spent up to now is 157.0 secs Computing kpt #: 348 total cpu time spent up to now is 157.4 secs Computing kpt #: 349 total cpu time spent up to now is 157.8 secs Computing kpt #: 350 total cpu time spent up to now is 158.2 secs Computing kpt #: 351 total cpu time spent up to now is 158.7 secs Computing kpt #: 352 total cpu time spent up to now is 159.1 secs Computing kpt #: 353 total cpu time spent up to now is 159.6 secs Computing kpt #: 354 total cpu time spent up to now is 160.1 secs Computing kpt #: 355 total cpu time spent up to now is 160.6 secs Computing kpt #: 356 total cpu time spent up to now is 161.0 secs Computing kpt #: 357 total cpu time spent up to now is 161.5 secs Computing kpt #: 358 total cpu time spent up to now is 161.9 secs Computing kpt #: 359 total cpu time spent up to now is 162.3 secs Computing kpt #: 360 total cpu time spent up to now is 162.7 secs Computing kpt #: 361 total cpu time spent up to now is 163.1 secs Computing kpt #: 362 total cpu time spent up to now is 163.5 secs Computing kpt #: 363 total cpu time spent up to now is 163.9 secs Computing kpt #: 364 total cpu time spent up to now is 164.4 secs Computing kpt #: 365 total cpu time spent up to now is 164.8 secs Computing kpt #: 366 total cpu time spent up to now is 165.2 secs Computing kpt #: 367 total cpu time spent up to now is 165.6 secs Computing kpt #: 368 total cpu time spent up to now is 165.9 secs Computing kpt #: 369 total cpu time spent up to now is 166.3 secs Computing kpt #: 370 total cpu time spent up to now is 166.7 secs Computing kpt #: 371 total cpu time spent up to now is 167.0 secs Computing kpt #: 372 total cpu time spent up to now is 167.4 secs Computing kpt #: 373 total cpu time spent up to now is 167.8 secs Computing kpt #: 374 total cpu time spent up to now is 168.2 secs Computing kpt #: 375 total cpu time spent up to now is 168.5 secs Computing kpt #: 376 total cpu time spent up to now is 168.9 secs Computing kpt #: 377 total cpu time spent up to now is 169.3 secs Computing kpt #: 378 total cpu time spent up to now is 169.7 secs Computing kpt #: 379 total cpu time spent up to now is 170.1 secs Computing kpt #: 380 total cpu time spent up to now is 170.5 secs Computing kpt #: 381 total cpu time spent up to now is 170.9 secs Computing kpt #: 382 total cpu time spent up to now is 171.3 secs Computing kpt #: 383 total cpu time spent up to now is 171.7 secs Computing kpt #: 384 total cpu time spent up to now is 172.1 secs Computing kpt #: 385 total cpu time spent up to now is 172.6 secs Computing kpt #: 386 total cpu time spent up to now is 173.0 secs Computing kpt #: 387 total cpu time spent up to now is 173.5 secs Computing kpt #: 388 total cpu time spent up to now is 173.8 secs Computing kpt #: 389 total cpu time spent up to now is 174.3 secs Computing kpt #: 390 total cpu time spent up to now is 174.7 secs Computing kpt #: 391 total cpu time spent up to now is 175.0 secs Computing kpt #: 392 total cpu time spent up to now is 175.4 secs Computing kpt #: 393 total cpu time spent up to now is 175.7 secs Computing kpt #: 394 total cpu time spent up to now is 176.1 secs Computing kpt #: 395 total cpu time spent up to now is 176.4 secs Computing kpt #: 396 total cpu time spent up to now is 176.8 secs Computing kpt #: 397 total cpu time spent up to now is 177.1 secs Computing kpt #: 398 total cpu time spent up to now is 177.5 secs Computing kpt #: 399 total cpu time spent up to now is 177.9 secs Computing kpt #: 400 total cpu time spent up to now is 178.3 secs Computing kpt #: 401 total cpu time spent up to now is 178.6 secs Computing kpt #: 402 total cpu time spent up to now is 179.0 secs Computing kpt #: 403 total cpu time spent up to now is 179.4 secs Computing kpt #: 404 total cpu time spent up to now is 179.8 secs Computing kpt #: 405 total cpu time spent up to now is 180.2 secs Computing kpt #: 406 total cpu time spent up to now is 180.5 secs Computing kpt #: 407 total cpu time spent up to now is 180.9 secs Computing kpt #: 408 total cpu time spent up to now is 181.3 secs Computing kpt #: 409 total cpu time spent up to now is 181.7 secs Computing kpt #: 410 total cpu time spent up to now is 182.1 secs Computing kpt #: 411 total cpu time spent up to now is 182.6 secs Computing kpt #: 412 total cpu time spent up to now is 183.0 secs Computing kpt #: 413 total cpu time spent up to now is 183.5 secs Computing kpt #: 414 total cpu time spent up to now is 184.0 secs Computing kpt #: 415 total cpu time spent up to now is 184.5 secs Computing kpt #: 416 total cpu time spent up to now is 184.9 secs ethr = 2.78E-08, avg # of iterations = 21.0 total cpu time spent up to now is 184.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4485 PWs) bands (ev): -3.4996 -3.4996 -1.0368 -1.0368 -0.7555 -0.7555 -0.1282 -0.1282 3.1462 3.1462 4.2881 4.2881 5.3225 5.3225 5.9413 5.9413 5.9768 5.9768 6.7185 6.7185 7.4844 7.4844 7.7062 7.7062 7.7668 7.7668 7.8378 7.8378 8.3183 8.3183 8.4980 8.4980 8.5330 8.5330 8.6101 8.6101 9.8110 9.8110 11.1203 11.1203 12.0117 12.0117 12.4279 12.4279 k = 0.0100-0.0000-0.0000 ( 4485 PWs) bands (ev): -3.4982 -3.4982 -1.0355 -1.0355 -0.7541 -0.7541 -0.1270 -0.1270 3.1478 3.1478 4.2893 4.2893 5.3231 5.3231 5.9420 5.9420 5.9781 5.9781 6.7191 6.7191 7.4835 7.4835 7.7061 7.7061 7.7666 7.7666 7.8377 7.8377 8.3181 8.3181 8.4971 8.4971 8.5325 8.5325 8.6099 8.6099 9.8107 9.8107 11.1065 11.1065 12.0111 12.0111 12.4264 12.4264 k = 0.0200-0.0000-0.0000 ( 4493 PWs) bands (ev): -3.4938 -3.4938 -1.0317 -1.0317 -0.7502 -0.7502 -0.1233 -0.1233 3.1526 3.1526 4.2931 4.2931 5.3249 5.3249 5.9440 5.9440 5.9819 5.9819 6.7209 6.7209 7.4811 7.4811 7.7059 7.7059 7.7659 7.7659 7.8373 7.8373 8.3176 8.3176 8.4943 8.4943 8.5309 8.5309 8.6093 8.6093 9.8096 9.8096 11.0658 11.0658 12.0094 12.0094 12.4216 12.4216 k = 0.0300-0.0000-0.0000 ( 4497 PWs) bands (ev): -3.4865 -3.4865 -1.0253 -1.0253 -0.7437 -0.7437 -0.1172 -0.1172 3.1605 3.1605 4.2994 4.2994 5.3280 5.3280 5.9473 5.9473 5.9883 5.9883 6.7240 6.7240 7.4767 7.4767 7.7057 7.7057 7.7649 7.7649 7.8369 7.8369 8.3168 8.3168 8.4896 8.4896 8.5282 8.5282 8.6084 8.6084 9.8077 9.8077 11.0004 11.0004 12.0062 12.0062 12.4132 12.4132 k = 0.0400-0.0000-0.0000 ( 4485 PWs) bands (ev): -3.4763 -3.4763 -1.0164 -1.0164 -0.7346 -0.7346 -0.1088 -0.1088 3.1717 3.1717 4.3082 4.3082 5.3323 5.3323 5.9519 5.9519 5.9973 5.9973 6.7283 6.7283 7.4704 7.4704 7.7054 7.7054 7.7635 7.7635 7.8362 7.8362 8.3157 8.3157 8.4831 8.4831 8.5246 8.5246 8.6071 8.6071 9.8048 9.8048 10.9135 10.9135 12.0009 12.0009 12.4004 12.4004 k = 0.0500-0.0000-0.0000 ( 4481 PWs) bands (ev): -3.4631 -3.4631 -1.0050 -1.0050 -0.7228 -0.7228 -0.0979 -0.0979 3.1859 3.1859 4.3196 4.3196 5.3377 5.3377 5.9579 5.9579 6.0088 6.0088 6.7338 6.7338 7.4619 7.4619 7.7048 7.7048 7.7616 7.7616 7.8352 7.8352 8.3142 8.3142 8.4747 8.4747 8.5199 8.5199 8.6055 8.6055 9.8005 9.8005 10.8088 10.8088 11.9924 11.9924 12.3822 12.3822 k = 0.0600-0.0000-0.0000 ( 4481 PWs) bands (ev): -3.4471 -3.4471 -0.9910 -0.9910 -0.7085 -0.7085 -0.0846 -0.0846 3.2034 3.2034 4.3333 4.3333 5.3443 5.3443 5.9650 5.9650 6.0228 6.0228 6.7405 6.7405 7.4508 7.4508 7.7041 7.7041 7.7592 7.7592 7.8339 7.8339 8.3123 8.3123 8.4645 8.4645 8.5142 8.5142 8.6035 8.6035 9.7944 9.7944 10.6908 10.6908 11.9792 11.9792 12.3573 12.3573 k = 0.0700-0.0000-0.0000 ( 4477 PWs) bands (ev): -3.4281 -3.4281 -0.9746 -0.9746 -0.6915 -0.6915 -0.0689 -0.0689 3.2239 3.2239 4.3496 4.3496 5.3520 5.3520 5.9734 5.9734 6.0392 6.0392 6.7483 6.7483 7.4365 7.4365 7.7031 7.7031 7.7562 7.7562 7.8323 7.8323 8.3099 8.3099 8.4524 8.4524 8.5075 8.5075 8.6010 8.6010 9.7855 9.7855 10.5642 10.5642 11.9590 11.9590 12.3240 12.3240 k = 0.0800-0.0000-0.0000 ( 4477 PWs) bands (ev): -3.4062 -3.4062 -0.9557 -0.9557 -0.6720 -0.6720 -0.0508 -0.0508 3.2476 3.2476 4.3683 4.3683 5.3606 5.3606 5.9829 5.9829 6.0580 6.0580 6.7573 6.7573 7.4187 7.4187 7.7018 7.7018 7.7526 7.7526 7.8301 7.8301 8.3071 8.3071 8.4384 8.4384 8.4998 8.4998 8.5982 8.5982 9.7724 9.7724 10.4340 10.4340 11.9286 11.9286 12.2813 12.2813 k = 0.0900-0.0000-0.0000 ( 4479 PWs) bands (ev): -3.3814 -3.3814 -0.9343 -0.9343 -0.6499 -0.6499 -0.0303 -0.0303 3.2745 3.2745 4.3894 4.3894 5.3703 5.3703 5.9935 5.9935 6.0791 6.0791 6.7674 6.7674 7.3963 7.3963 7.7000 7.7000 7.7483 7.7483 7.8276 7.8276 8.3037 8.3037 8.4226 8.4226 8.4910 8.4910 8.5947 8.5947 9.7522 9.7522 10.3065 10.3065 11.8837 11.8837 12.2287 12.2287 k = 0.1000-0.0000-0.0000 ( 4465 PWs) bands (ev): -3.3538 -3.3538 -0.9105 -0.9105 -0.6252 -0.6252 -0.0075 -0.0075 3.3044 3.3044 4.4129 4.4129 5.3808 5.3808 6.0052 6.0052 6.1024 6.1024 6.7786 6.7786 7.3687 7.3687 7.6979 7.6979 7.7432 7.7432 7.8244 7.8244 8.2999 8.2999 8.4052 8.4052 8.4813 8.4813 8.5907 8.5907 9.7205 9.7205 10.1895 10.1895 11.8199 11.8199 12.1669 12.1669 k = 0.1100-0.0000-0.0000 ( 4481 PWs) bands (ev): -3.3232 -3.3232 -0.8843 -0.8843 -0.5980 -0.5980 0.0177 0.0177 3.3374 3.3374 4.4387 4.4387 5.3920 5.3920 6.0178 6.0178 6.1280 6.1280 6.7908 6.7908 7.3348 7.3348 7.6951 7.6951 7.7370 7.7370 7.8204 7.8204 8.2953 8.2953 8.3860 8.3860 8.4706 8.4706 8.5859 8.5859 9.6710 9.6710 10.0920 10.0920 11.7341 11.7341 12.0968 12.0968 k = 0.1200-0.0000-0.0000 ( 4475 PWs) bands (ev): -3.2898 -3.2898 -0.8557 -0.8557 -0.5682 -0.5682 0.0452 0.0452 3.3735 3.3735 4.4668 4.4668 5.4040 5.4040 6.0312 6.0312 6.1556 6.1556 6.8040 6.8040 7.2934 7.2934 7.6915 7.6915 7.7298 7.7298 7.8156 7.8156 8.2901 8.2901 8.3652 8.3652 8.4590 8.4590 8.5804 8.5804 9.6000 9.6000 10.0208 10.0208 11.6265 11.6265 12.0177 12.0177 k = 0.1300-0.0000-0.0000 ( 4471 PWs) bands (ev): -3.2535 -3.2535 -0.8249 -0.8249 -0.5359 -0.5359 0.0749 0.0749 3.4127 3.4127 4.4971 4.4971 5.4165 5.4165 6.0454 6.0454 6.1852 6.1852 6.8182 6.8182 7.2434 7.2434 7.6869 7.6869 7.7212 7.7212 7.8097 7.8097 8.2842 8.2842 8.3431 8.3431 8.4464 8.4464 8.5739 8.5739 9.5116 9.5116 9.9743 9.9743 11.5005 11.5005 11.9275 11.9275 k = 0.1400-0.0000-0.0000 ( 4477 PWs) bands (ev): -3.2143 -3.2143 -0.7918 -0.7918 -0.5011 -0.5011 0.1070 0.1070 3.4548 3.4548 4.5296 4.5296 5.4294 5.4294 6.0602 6.0602 6.2166 6.2166 6.8333 6.8333 7.1836 7.1836 7.6809 7.6809 7.7108 7.7108 7.8026 7.8026 8.2773 8.2773 8.3197 8.3197 8.4330 8.4330 8.5664 8.5664 9.4153 9.4153 9.9453 9.9453 11.3608 11.3608 11.8248 11.8248 k = 0.1500-0.0000-0.0000 ( 4471 PWs) bands (ev): -3.1722 -3.1722 -0.7565 -0.7565 -0.4638 -0.4638 0.1412 0.1412 3.4999 3.4999 4.5642 4.5642 5.4427 5.4427 6.0754 6.0754 6.2497 6.2497 6.8493 6.8493 7.1131 7.1131 7.6732 7.6732 7.6985 7.6985 7.7944 7.7944 8.2693 8.2693 8.2958 8.2958 8.4185 8.4185 8.5579 8.5579 9.3201 9.3201 9.9270 9.9270 11.2120 11.2120 11.7102 11.7102 k = 0.1600-0.0000-0.0000 ( 4475 PWs) bands (ev): -3.1274 -3.1274 -0.7190 -0.7190 -0.4241 -0.4241 0.1777 0.1777 3.5480 3.5480 4.6008 4.6008 5.4560 5.4560 6.0910 6.0910 6.2843 6.2843 6.8659 6.8659 7.0313 7.0313 7.6629 7.6629 7.6838 7.6838 7.7849 7.7849 8.2583 8.2583 8.2734 8.2734 8.4033 8.4033 8.5484 8.5484 9.2316 9.2316 9.9149 9.9149 11.0581 11.0581 11.5862 11.5862 k = 0.1700-0.0000-0.0000 ( 4471 PWs) bands (ev): -3.0797 -3.0797 -0.6796 -0.6796 -0.3819 -0.3819 0.2163 0.2163 3.5990 3.5990 4.6392 4.6392 5.4692 5.4692 6.1067 6.1067 6.3201 6.3201 6.8822 6.8822 6.9392 6.9392 7.6490 7.6490 7.6663 7.6663 7.7746 7.7746 8.2391 8.2391 8.2581 8.2581 8.3871 8.3871 8.5381 8.5381 9.1532 9.1532 9.9067 9.9067 10.9024 10.9024 11.4562 11.4562 k = 0.1800-0.0000-0.0000 ( 4475 PWs) bands (ev): -3.0292 -3.0292 -0.6381 -0.6381 -0.3373 -0.3373 0.2571 0.2571 3.6529 3.6529 4.6792 4.6792 5.4822 5.4822 6.1221 6.1221 6.3569 6.3569 6.8312 6.8312 6.9045 6.9045 7.6302 7.6302 7.6453 7.6453 7.7636 7.7636 8.2148 8.2148 8.2473 8.2473 8.3700 8.3700 8.5272 8.5272 9.0860 9.0860 9.9009 9.9009 10.7475 10.7475 11.3237 11.3237 k = 0.1900-0.0000-0.0000 ( 4463 PWs) bands (ev): -2.9759 -2.9759 -0.5948 -0.5948 -0.2903 -0.2903 0.2999 0.2999 3.7096 3.7096 4.7207 4.7207 5.4946 5.4946 6.1367 6.1367 6.3943 6.3943 6.7186 6.7186 6.9227 6.9227 7.6054 7.6054 7.6201 7.6201 7.7527 7.7527 8.1901 8.1901 8.2369 8.2369 8.3521 8.3521 8.5162 8.5162 9.0301 9.0301 9.8966 9.8966 10.5958 10.5958 11.1918 11.1918 k = 0.2000-0.0000-0.0000 ( 4475 PWs) bands (ev): -2.9198 -2.9198 -0.5498 -0.5498 -0.2410 -0.2410 0.3447 0.3447 3.7691 3.7691 4.7634 4.7634 5.5060 5.5060 6.1494 6.1494 6.4320 6.4320 6.5984 6.5984 6.9423 6.9423 7.5737 7.5737 7.5893 7.5893 7.7421 7.7421 8.1662 8.1662 8.2261 8.2261 8.3333 8.3333 8.5056 8.5056 8.9846 8.9846 9.8934 9.8934 10.4492 10.4492 11.0631 11.0631 k = 0.2100-0.0000-0.0000 ( 4467 PWs) bands (ev): -2.8610 -2.8610 -0.5031 -0.5031 -0.1894 -0.1894 0.3914 0.3914 3.8313 3.8313 4.8068 4.8068 5.5163 5.5163 6.1577 6.1577 6.4672 6.4672 6.4778 6.4778 6.9625 6.9625 7.5349 7.5349 7.5519 7.5519 7.7322 7.7322 8.1440 8.1440 8.2149 8.2149 8.3136 8.3136 8.4959 8.4959 8.9482 8.9482 9.8908 9.8908 10.3095 10.3095 10.9397 10.9397 k = 0.2200-0.0000-0.0000 ( 4467 PWs) bands (ev): -2.7994 -2.7994 -0.4550 -0.4550 -0.1356 -0.1356 0.4401 0.4401 3.8962 3.8962 4.8502 4.8502 5.5246 5.5246 6.1525 6.1525 6.3614 6.3614 6.5064 6.5064 6.9830 6.9830 7.4882 7.4882 7.5074 7.5074 7.7229 7.7229 8.1237 8.1237 8.2030 8.2030 8.2931 8.2931 8.4876 8.4876 8.9194 8.9194 9.8883 9.8883 10.1785 10.1785 10.8233 10.8233 k = 0.2300-0.0000-0.0000 ( 4467 PWs) bands (ev): -2.7351 -2.7351 -0.4056 -0.4056 -0.0796 -0.0796 0.4905 0.4905 3.9637 3.9637 4.8926 4.8926 5.5304 5.5304 6.1064 6.1064 6.2869 6.2869 6.5414 6.5414 7.0035 7.0035 7.4332 7.4332 7.4565 7.4565 7.7141 7.7141 8.1055 8.1055 8.1902 8.1902 8.2718 8.2718 8.4810 8.4810 8.8969 8.8969 9.8845 9.8845 10.0585 10.0585 10.7152 10.7152 k = 0.2400-0.0000-0.0000 ( 4453 PWs) bands (ev): -2.6682 -2.6682 -0.3552 -0.3552 -0.0214 -0.0214 0.5426 0.5426 4.0336 4.0336 4.9324 4.9324 5.5323 5.5323 6.0089 6.0089 6.2661 6.2661 6.5737 6.5737 7.0229 7.0229 7.3696 7.3696 7.4004 7.4004 7.7054 7.7054 8.0896 8.0896 8.1758 8.1758 8.2504 8.2504 8.4763 8.4763 8.8793 8.8793 9.8724 9.8724 9.9572 9.9572 10.6165 10.6165 k = 0.2500-0.0000-0.0000 ( 4453 PWs) bands (ev): -2.5986 -2.5986 -0.3038 -0.3038 0.0388 0.0388 0.5963 0.5963 4.1058 4.1058 4.9665 4.9665 5.5281 5.5281 5.8983 5.8983 6.2667 6.2667 6.6018 6.6018 7.0396 7.0396 7.2984 7.2984 7.3420 7.3420 7.6966 7.6966 8.0758 8.0758 8.1587 8.1587 8.2297 8.2297 8.4733 8.4733 8.8658 8.8658 9.8177 9.8177 9.9096 9.9096 10.5280 10.5280 k = 0.2600-0.0000-0.0000 ( 4457 PWs) bands (ev): -2.5264 -2.5264 -0.2520 -0.2520 0.1010 0.1010 0.6514 0.6514 4.1802 4.1802 4.9896 4.9896 5.5147 5.5147 5.7999 5.7999 6.2724 6.2724 6.6231 6.6231 7.0488 7.0488 7.2215 7.2215 7.2864 7.2864 7.6871 7.6871 8.0639 8.0639 8.1380 8.1380 8.2108 8.2108 8.4723 8.4723 8.8554 8.8554 9.7346 9.7346 9.9014 9.9014 10.4503 10.4503 k = 0.2700-0.0000-0.0000 ( 4459 PWs) bands (ev): -2.4517 -2.4517 -0.1998 -0.1998 0.1651 0.1651 0.7079 0.7079 4.2565 4.2565 4.9928 4.9928 5.4915 5.4915 5.7286 5.7286 6.2779 6.2779 6.6337 6.6337 7.0409 7.0409 7.1433 7.1433 7.2444 7.2444 7.6768 7.6768 8.0534 8.0534 8.1129 8.1129 8.1947 8.1947 8.4729 8.4729 8.8475 8.8475 9.6558 9.6558 9.8999 9.8999 10.3836 10.3836 k = 0.2800-0.0000-0.0000 ( 4453 PWs) bands (ev): -2.3744 -2.3744 -0.1478 -0.1478 0.2310 0.2310 0.7656 0.7656 4.3341 4.3341 4.9654 4.9654 5.4687 5.4687 5.6877 5.6877 6.2808 6.2808 6.6272 6.6272 7.0055 7.0055 7.0712 7.0712 7.2274 7.2274 7.6649 7.6649 8.0441 8.0441 8.0842 8.0842 8.1813 8.1813 8.4749 8.4749 8.8419 8.8419 9.5855 9.5855 9.9003 9.9003 10.3280 10.3280 k = 0.2900-0.0000-0.0000 ( 4457 PWs) bands (ev): -2.2947 -2.2947 -0.0963 -0.0963 0.2986 0.2986 0.8242 0.8242 4.4120 4.4120 4.9038 4.9038 5.4608 5.4608 5.6683 5.6683 6.2787 6.2787 6.5950 6.5950 6.9468 6.9468 7.0152 7.0152 7.2322 7.2322 7.6511 7.6511 8.0348 8.0348 8.0535 8.0535 8.1700 8.1700 8.4782 8.4782 8.8379 8.8379 9.5239 9.5239 9.9018 9.9018 10.2835 10.2835 k = 0.3000-0.0000-0.0000 ( 4445 PWs) bands (ev): -2.2126 -2.2126 -0.0458 -0.0458 0.3677 0.3677 0.8837 0.8837 4.4864 4.4864 4.8191 4.8191 5.4689 5.4689 5.6627 5.6627 6.2691 6.2691 6.5320 6.5320 6.8800 6.8800 6.9801 6.9801 7.2477 7.2477 7.6346 7.6346 8.0167 8.0167 8.0312 8.0312 8.1607 8.1607 8.4824 8.4824 8.8356 8.8356 9.4705 9.4705 9.9040 9.9041 10.2498 10.2498 k = 0.3100-0.0000-0.0000 ( 4439 PWs) bands (ev): -2.1281 -2.1281 0.0032 0.0032 0.4382 0.4382 0.9438 0.9438 4.5409 4.5409 4.7398 4.7398 5.4834 5.4834 5.6692 5.6692 6.2484 6.2484 6.4419 6.4419 6.8155 6.8155 6.9630 6.9630 7.2667 7.2667 7.6148 7.6148 7.9861 7.9861 8.0223 8.0223 8.1531 8.1531 8.4874 8.4874 8.8345 8.8345 9.4244 9.4244 9.9070 9.9070 10.2263 10.2263 k = 0.3200-0.0000-0.0000 ( 4437 PWs) bands (ev): -2.0414 -2.0414 0.0500 0.0500 0.5100 0.5100 1.0042 1.0042 4.5159 4.5159 4.7347 4.7347 5.4934 5.4934 5.6895 5.6895 6.2118 6.2118 6.3344 6.3344 6.7600 6.7600 6.9571 6.9571 7.2853 7.2853 7.5914 7.5914 7.9562 7.9562 8.0147 8.0147 8.1475 8.1475 8.4928 8.4928 8.8347 8.8347 9.3847 9.3847 9.9106 9.9106 10.2091 10.2091 k = 0.3300-0.0000-0.0000 ( 4437 PWs) bands (ev): -1.9525 -1.9525 0.0939 0.0939 0.5829 0.5829 1.0646 1.0646 4.4219 4.4219 4.7990 4.7990 5.4934 5.4934 5.7240 5.7240 6.1512 6.1512 6.2233 6.2233 6.7174 6.7174 6.9566 6.9566 7.3008 7.3008 7.5643 7.5643 7.9295 7.9295 8.0072 8.0072 8.1441 8.1441 8.4986 8.4986 8.8359 8.8359 9.3504 9.3504 9.9148 9.9148 10.1774 10.1775 k = 0.3400-0.0000-0.0000 ( 4441 PWs) bands (ev): -1.8615 -1.8615 0.1341 0.1341 0.6565 0.6565 1.1248 1.1248 4.3144 4.3144 4.8808 4.8808 5.4834 5.4834 5.7684 5.7684 6.0517 6.0517 6.1298 6.1298 6.6887 6.6887 6.9576 6.9576 7.3106 7.3106 7.5344 7.5344 7.9067 7.9067 7.9997 7.9997 8.1436 8.1436 8.5042 8.5042 8.8381 8.8381 9.3207 9.3207 9.9198 9.9198 10.1493 10.1493 k = 0.3500-0.0000-0.0000 ( 4441 PWs) bands (ev): -1.7685 -1.7685 0.1698 0.1698 0.7308 0.7308 1.1843 1.1843 4.2082 4.2082 4.9676 4.9676 5.4656 5.4656 5.8128 5.8128 5.9313 5.9313 6.0484 6.0484 6.6721 6.6721 6.9582 6.9582 7.3123 7.3123 7.5033 7.5033 7.8883 7.8883 7.9918 7.9918 8.1465 8.1465 8.5097 8.5097 8.8414 8.8414 9.2947 9.2947 9.9254 9.9254 10.1320 10.1320 k = 0.3600-0.0000-0.0000 ( 4441 PWs) bands (ev): -1.6737 -1.6737 0.2000 0.2000 0.8054 0.8054 1.2427 1.2427 4.1080 4.1080 5.0556 5.0556 5.4416 5.4416 5.7694 5.7694 5.8868 5.8868 5.9742 5.9742 6.6649 6.6649 6.9570 6.9570 7.3040 7.3040 7.4729 7.4729 7.8738 7.8738 7.9836 7.9836 8.1532 8.1532 8.5147 8.5147 8.8458 8.8458 9.2717 9.2717 9.9318 9.9318 10.1253 10.1253 k = 0.3700-0.0000-0.0000 ( 4441 PWs) bands (ev): -1.5771 -1.5771 0.2238 0.2238 0.8801 0.8801 1.2997 1.2997 4.0166 4.0166 5.1422 5.1422 5.4128 5.4128 5.6388 5.6388 5.8574 5.8574 5.9721 5.9721 6.6643 6.6643 6.9532 6.9532 7.2851 7.2851 7.4442 7.4442 7.8629 7.8629 7.9752 7.9752 8.1640 8.1640 8.5191 8.5191 8.8512 8.8512 9.2510 9.2510 9.9391 9.9391 10.1285 10.1285 k = 0.3800-0.0000-0.0000 ( 4441 PWs) bands (ev): -1.4790 -1.4790 0.2401 0.2401 0.9543 0.9543 1.3545 1.3545 3.9358 3.9358 5.2222 5.2222 5.3796 5.3796 5.5049 5.5049 5.7818 5.7818 6.0278 6.0278 6.6684 6.6684 6.9464 6.9464 7.2573 7.2573 7.4161 7.4161 7.8548 7.8548 7.9665 7.9665 8.1788 8.1788 8.5227 8.5227 8.8577 8.8577 9.2320 9.2320 9.9472 9.9472 10.1411 10.1411 k = 0.3900-0.0000-0.0000 ( 4455 PWs) bands (ev): -1.3795 -1.3795 0.2482 0.2482 1.0279 1.0279 1.4068 1.4068 3.8670 3.8670 5.2720 5.2720 5.3387 5.3387 5.3956 5.3956 5.7124 5.7124 6.0908 6.0908 6.6757 6.6757 6.9360 6.9360 7.2236 7.2236 7.3865 7.3865 7.8491 7.8491 7.9576 7.9576 8.1973 8.1973 8.5252 8.5252 8.8652 8.8652 9.2141 9.2141 9.9562 9.9562 10.1622 10.1622 k = 0.4000-0.0000-0.0000 ( 4467 PWs) bands (ev): -1.2789 -1.2789 0.2470 0.2470 1.1002 1.1002 1.4558 1.4558 3.8115 3.8115 5.1953 5.1953 5.3011 5.3011 5.3824 5.3824 5.6709 5.6709 6.1556 6.1556 6.6853 6.6853 6.9219 6.9219 7.1870 7.1870 7.3537 7.3537 7.8452 7.8452 7.9486 7.9486 8.2189 8.2189 8.5266 8.5266 8.8738 8.8738 9.1969 9.1969 9.9664 9.9664 10.1912 10.1912 k = 0.4100-0.0000-0.0000 ( 4463 PWs) bands (ev): -1.1773 -1.1773 0.2361 0.2361 1.1708 1.1708 1.5009 1.5009 3.7702 3.7702 5.0661 5.0661 5.2636 5.2636 5.3738 5.3738 5.6819 5.6819 6.2207 6.2207 6.6968 6.6968 6.9040 6.9040 7.1495 7.1495 7.3165 7.3165 7.8429 7.8429 7.9396 7.9396 8.2429 8.2429 8.5269 8.5269 8.8836 8.8836 9.1801 9.1801 9.9778 9.9778 10.2274 10.2274 k = 0.4200-0.0000-0.0000 ( 4459 PWs) bands (ev): -1.0750 -1.0750 0.2150 0.2150 1.2391 1.2391 1.5415 1.5415 3.7436 3.7436 4.9339 4.9339 5.2242 5.2242 5.3311 5.3311 5.7394 5.7394 6.2853 6.2853 6.7095 6.7095 6.8823 6.8823 7.1124 7.1124 7.2749 7.2749 7.8420 7.8420 7.9306 7.9306 8.2684 8.2684 8.5257 8.5257 8.8946 8.8946 9.1632 9.1632 9.9907 9.9907 10.2700 10.2700 k = 0.4300-0.0000-0.0000 ( 4449 PWs) bands (ev): -0.9724 -0.9724 0.1837 0.1837 1.3046 1.3046 1.5767 1.5767 3.7321 3.7321 4.8037 4.8037 5.1852 5.1852 5.2749 5.2749 5.8183 5.8183 6.3482 6.3482 6.7231 6.7231 6.8572 6.8572 7.0762 7.0762 7.2291 7.2291 7.8422 7.8422 7.9218 7.9218 8.2946 8.2946 8.5230 8.5230 8.9067 8.9067 9.1461 9.1461 10.0051 10.0051 10.3183 10.3183 k = 0.4400-0.0000-0.0000 ( 4433 PWs) bands (ev): -0.8698 -0.8698 0.1422 0.1422 1.3665 1.3665 1.6058 1.6058 3.7355 3.7355 4.6770 4.6770 5.1480 5.1480 5.2180 5.2180 5.9051 5.9051 6.4081 6.4081 6.7368 6.7368 6.8299 6.8299 7.0414 7.0414 7.1798 7.1798 7.8435 7.8435 7.9131 7.9131 8.3210 8.3210 8.5187 8.5187 8.9198 8.9198 9.1286 9.1286 10.0213 10.0213 10.3707 10.3707 k = 0.4500-0.0000-0.0000 ( 4429 PWs) bands (ev): -0.7676 -0.7676 0.0910 0.0910 1.4241 1.4241 1.6282 1.6282 3.7536 3.7536 4.5546 4.5546 5.1139 5.1139 5.1658 5.1658 5.9945 5.9945 6.4625 6.4625 6.7485 6.7485 6.8045 6.8045 7.0080 7.0080 7.1278 7.1278 7.8457 7.8457 7.9047 7.9047 8.3467 8.3467 8.5127 8.5127 8.9340 8.9340 9.1107 9.1107 10.0397 10.0397 10.4050 10.4050 k = 0.4600-0.0000-0.0000 ( 4439 PWs) bands (ev): -0.6663 -0.6663 0.0308 0.0308 1.4767 1.4767 1.6433 1.6433 3.7857 3.7857 4.4375 4.4375 5.0841 5.0841 5.1207 5.1207 6.0838 6.0838 6.5056 6.5056 6.7503 6.7503 6.7938 6.7938 6.9762 6.9762 7.0742 7.0742 7.8487 7.8487 7.8964 7.8964 8.3714 8.3714 8.5049 8.5049 8.9492 8.9492 9.0925 9.0925 10.0603 10.0603 10.3545 10.3545 k = 0.4700-0.0000-0.0000 ( 4449 PWs) bands (ev): -0.5664 -0.5664 -0.0375 -0.0375 1.5236 1.5236 1.6505 1.6505 3.8309 3.8309 4.3263 4.3263 5.0599 5.0599 5.0843 5.0843 6.1713 6.1713 6.5258 6.5258 6.7478 6.7478 6.8032 6.8032 6.9463 6.9463 7.0198 7.0198 7.8524 7.8524 7.8886 7.8886 8.3946 8.3946 8.4951 8.4951 8.9652 8.9652 9.0739 9.0739 10.0837 10.0837 10.3018 10.3018 k = 0.4800-0.0000-0.0000 ( 4448 PWs) bands (ev): -0.4686 -0.4686 -0.1131 -0.1131 1.5639 1.5639 1.6496 1.6496 3.8885 3.8885 4.2218 4.2218 5.0425 5.0425 5.0571 5.0571 6.2556 6.2556 6.5117 6.5117 6.7648 6.7648 6.8199 6.8199 6.9184 6.9184 6.9660 6.9660 7.8569 7.8569 7.8812 7.8812 8.4163 8.4163 8.4834 8.4834 8.9821 8.9821 9.0551 9.0551 10.1101 10.1101 10.2541 10.2541 k = 0.4900-0.0000-0.0000 ( 4442 PWs) bands (ev): -0.3736 -0.3736 -0.1949 -0.1949 1.5972 1.5972 1.6403 1.6403 3.9573 3.9573 4.1249 4.1249 5.0327 5.0327 5.0396 5.0396 6.3349 6.3349 6.4683 6.4683 6.8004 6.8004 6.8374 6.8374 6.8934 6.8934 6.9156 6.9156 7.8621 7.8621 7.8743 7.8743 8.4361 8.4361 8.4697 8.4697 8.9997 8.9997 9.0365 9.0365 10.1399 10.1399 10.2115 10.2115 k = 0.5000-0.0000-0.0000 ( 4454 PWs) bands (ev): -0.2821 -0.2821 -0.2821 -0.2821 1.6228 1.6228 1.6228 1.6228 4.0364 4.0364 4.0364 4.0364 5.0315 5.0315 5.0315 5.0315 6.4070 6.4070 6.4070 6.4070 6.8373 6.8373 6.8373 6.8373 6.8829 6.8829 6.8829 6.8829 7.8679 7.8679 7.8679 7.8679 8.4539 8.4539 8.4539 8.4539 9.0179 9.0179 9.0179 9.0179 10.1735 10.1735 10.1735 10.1735 k = 0.5000-0.0000-0.0000 ( 4454 PWs) bands (ev): -0.2821 -0.2821 -0.2821 -0.2821 1.6228 1.6228 1.6228 1.6228 4.0364 4.0364 4.0364 4.0364 5.0315 5.0315 5.0315 5.0315 6.4070 6.4070 6.4070 6.4070 6.8373 6.8373 6.8373 6.8373 6.8829 6.8829 6.8829 6.8829 7.8679 7.8679 7.8679 7.8679 8.4539 8.4539 8.4539 8.4539 9.0179 9.0179 9.0179 9.0179 10.1735 10.1735 10.1735 10.1735 k = 0.5000 0.0102-0.0000 ( 4448 PWs) bands (ev): -0.2816 -0.2816 -0.2813 -0.2813 1.6221 1.6221 1.6222 1.6222 4.0351 4.0351 4.0395 4.0395 5.0281 5.0281 5.0286 5.0286 6.4050 6.4050 6.4051 6.4051 6.8099 6.8099 6.8418 6.8418 6.8822 6.8822 6.9152 6.9152 7.8630 7.8630 7.8697 7.8697 8.4520 8.4520 8.4561 8.4561 9.0158 9.0158 9.0202 9.0202 10.1676 10.1676 10.1758 10.1758 k = 0.5000 0.0203-0.0000 ( 4446 PWs) bands (ev): -0.2799 -0.2799 -0.2792 -0.2792 1.6200 1.6200 1.6203 1.6203 4.0354 4.0354 4.0443 4.0443 5.0182 5.0182 5.0192 5.0192 6.3996 6.3996 6.3999 6.3999 6.7855 6.7855 6.8156 6.8156 6.9200 6.9200 6.9525 6.9525 7.8552 7.8552 7.8683 7.8683 8.4505 8.4505 8.4585 8.4585 9.0141 9.0141 9.0228 9.0228 10.1583 10.1583 10.1743 10.1743 k = 0.5000 0.0305-0.0000 ( 4440 PWs) bands (ev): -0.2770 -0.2770 -0.2759 -0.2759 1.6167 1.6167 1.6170 1.6170 4.0373 4.0373 4.0507 4.0507 5.0024 5.0024 5.0038 5.0038 6.3911 6.3911 6.3927 6.3927 6.7645 6.7645 6.7885 6.7885 6.9652 6.9652 6.9930 6.9930 7.8451 7.8451 7.8640 7.8640 8.4494 8.4494 8.4611 8.4611 9.0129 9.0129 9.0254 9.0254 10.1462 10.1463 10.1692 10.1692 k = 0.5000 0.0406-0.0000 ( 4436 PWs) bands (ev): -0.2728 -0.2728 -0.2715 -0.2715 1.6121 1.6121 1.6125 1.6125 4.0409 4.0409 4.0587 4.0587 4.9811 4.9811 4.9828 4.9828 6.3810 6.3810 6.3845 6.3845 6.7457 6.7457 6.7618 6.7618 7.0144 7.0144 7.0355 7.0355 7.8333 7.8333 7.8573 7.8573 8.4486 8.4486 8.4637 8.4637 9.0123 9.0123 9.0280 9.0280 10.1319 10.1319 10.1610 10.1610 k = 0.5000 0.0508-0.0000 ( 4432 PWs) bands (ev): -0.2675 -0.2675 -0.2658 -0.2658 1.6062 1.6062 1.6067 1.6067 4.0461 4.0461 4.0684 4.0684 4.9550 4.9550 4.9569 4.9569 6.3703 6.3703 6.3763 6.3763 6.7278 6.7278 6.7351 6.7351 7.0655 7.0655 7.0783 7.0783 7.8211 7.8211 7.8491 7.8491 8.4482 8.4482 8.4660 8.4660 9.0124 9.0124 9.0306 9.0306 10.1160 10.1160 10.1501 10.1501 k = 0.5000 0.0609-0.0000 ( 4424 PWs) bands (ev): -0.2611 -0.2611 -0.2590 -0.2590 1.5990 1.5990 1.5997 1.5997 4.0529 4.0529 4.0795 4.0795 4.9248 4.9248 4.9269 4.9269 6.3601 6.3601 6.3690 6.3690 6.7080 6.7080 6.7099 6.7099 7.1168 7.1168 7.1194 7.1194 7.8098 7.8098 7.8402 7.8402 8.4480 8.4480 8.4680 8.4680 9.0135 9.0135 9.0333 9.0333 10.0991 10.0991 10.1373 10.1373 k = 0.5000 0.0711-0.0000 ( 4420 PWs) bands (ev): -0.2535 -0.2535 -0.2512 -0.2512 1.5907 1.5907 1.5915 1.5915 4.0612 4.0612 4.0921 4.0921 4.8915 4.8915 4.8936 4.8936 6.3510 6.3510 6.3629 6.3629 6.6803 6.6803 6.6911 6.6911 7.1567 7.1567 7.1660 7.1660 7.8010 7.8010 7.8319 7.8319 8.4479 8.4479 8.4695 8.4695 9.0155 9.0155 9.0360 9.0360 10.0815 10.0815 10.1231 10.1231 k = 0.5000 0.0812-0.0000 ( 4434 PWs) bands (ev): -0.2450 -0.2450 -0.2423 -0.2423 1.5813 1.5813 1.5822 1.5822 4.0708 4.0708 4.1060 4.1060 4.8558 4.8558 4.8577 4.8577 6.3434 6.3434 6.3583 6.3583 6.6519 6.6519 6.6711 6.6711 7.1876 7.1876 7.2110 7.2110 7.7963 7.7963 7.8257 7.8257 8.4476 8.4476 8.4702 8.4702 9.0187 9.0187 9.0389 9.0389 10.0637 10.0637 10.1079 10.1079 k = 0.5000 0.0914-0.0000 ( 4430 PWs) bands (ev): -0.2356 -0.2356 -0.2325 -0.2325 1.5708 1.5708 1.5718 1.5718 4.0818 4.0818 4.1212 4.1212 4.8184 4.8184 4.8201 4.8201 6.3376 6.3376 6.3552 6.3552 6.6229 6.6229 6.6497 6.6497 7.2102 7.2102 7.2493 7.2493 7.7973 7.7973 7.8232 7.8232 8.4472 8.4472 8.4702 8.4702 9.0233 9.0233 9.0421 9.0421 10.0460 10.0460 10.0924 10.0924 k = 0.5000 0.1015-0.0000 ( 4430 PWs) bands (ev): -0.2253 -0.2253 -0.2220 -0.2220 1.5594 1.5594 1.5605 1.5605 4.0939 4.0939 4.1375 4.1375 4.7802 4.7802 4.7816 4.7816 6.3333 6.3333 6.3532 6.3532 6.5938 6.5938 6.6272 6.6272 7.2231 7.2231 7.2791 7.2791 7.8047 7.8047 7.8256 7.8256 8.4465 8.4465 8.4693 8.4693 9.0291 9.0291 9.0457 9.0457 10.0287 10.0287 10.0768 10.0768 k = 0.5000 0.1117-0.0000 ( 4426 PWs) bands (ev): -0.2143 -0.2143 -0.2106 -0.2106 1.5471 1.5471 1.5483 1.5483 4.1072 4.1072 4.1548 4.1548 4.7418 4.7418 4.7428 4.7428 6.3305 6.3305 6.3517 6.3517 6.5653 6.5653 6.6036 6.6036 7.2259 7.2259 7.2987 7.2987 7.8182 7.8182 7.8338 7.8338 8.4453 8.4453 8.4674 8.4674 9.0364 9.0364 9.0500 9.0500 10.0121 10.0121 10.0617 10.0617 k = 0.5000 0.1218-0.0000 ( 4422 PWs) bands (ev): -0.2027 -0.2027 -0.1987 -0.1987 1.5341 1.5341 1.5353 1.5353 4.1213 4.1213 4.1729 4.1729 4.7037 4.7037 4.7043 4.7043 6.3288 6.3288 6.3497 6.3497 6.5385 6.5385 6.5795 6.5795 7.2195 7.2195 7.3080 7.3080 7.8366 7.8366 7.8477 7.8477 8.4434 8.4434 8.4644 8.4644 9.0450 9.0450 9.0550 9.0550 9.9964 9.9964 10.0472 10.0472 k = 0.5000 0.1320-0.0000 ( 4426 PWs) bands (ev): -0.1906 -0.1906 -0.1863 -0.1863 1.5204 1.5204 1.5218 1.5218 4.1363 4.1363 4.1917 4.1917 4.6666 4.6666 4.6666 4.6666 6.3274 6.3274 6.3455 6.3455 6.5152 6.5152 6.5558 6.5558 7.2054 7.2054 7.3076 7.3076 7.8582 7.8582 7.8662 7.8662 8.4409 8.4409 8.4604 8.4604 9.0546 9.0546 9.0607 9.0607 9.9819 9.9819 10.0336 10.0336 k = 0.5000 0.1421-0.0000 ( 4434 PWs) bands (ev): -0.1782 -0.1782 -0.1736 -0.1736 1.5063 1.5063 1.5078 1.5078 4.1518 4.1518 4.2110 4.2110 4.6302 4.6302 4.6308 4.6308 6.3257 6.3257 6.3372 6.3372 6.4975 6.4975 6.5335 6.5335 7.1852 7.1852 7.2991 7.2991 7.8812 7.8812 7.8876 7.8876 8.4376 8.4376 8.4556 8.4556 9.0652 9.0652 9.0671 9.0671 9.9685 9.9685 10.0211 10.0211 k = 0.5000 0.1523-0.0000 ( 4446 PWs) bands (ev): -0.1656 -0.1656 -0.1607 -0.1607 1.4920 1.4920 1.4935 1.4935 4.1678 4.1678 4.2306 4.2306 4.5954 4.5954 4.5967 4.5967 6.3224 6.3224 6.3232 6.3232 6.4873 6.4873 6.5140 6.5140 7.1605 7.1605 7.2841 7.2841 7.9041 7.9041 7.9103 7.9103 8.4336 8.4336 8.4500 8.4500 9.0740 9.0740 9.0761 9.0761 9.9565 9.9565 10.0097 10.0097 k = 0.5000 0.1624-0.0000 ( 4446 PWs) bands (ev): -0.1530 -0.1530 -0.1478 -0.1478 1.4776 1.4776 1.4791 1.4791 4.1839 4.1839 4.2501 4.2501 4.5626 4.5626 4.5646 4.5646 6.3036 6.3036 6.3163 6.3163 6.4848 6.4848 6.4991 6.4991 7.1327 7.1327 7.2644 7.2644 7.9259 7.9259 7.9328 7.9328 8.4291 8.4291 8.4440 8.4440 9.0815 9.0815 9.0873 9.0873 9.9458 9.9458 9.9996 9.9996 k = 0.5000 0.1726-0.0000 ( 4454 PWs) bands (ev): -0.1405 -0.1405 -0.1351 -0.1351 1.4633 1.4633 1.4649 1.4649 4.2000 4.2000 4.2694 4.2694 4.5320 4.5320 4.5347 4.5347 6.2799 6.2799 6.3062 6.3062 6.4885 6.4885 6.4899 6.4899 7.1028 7.1028 7.2413 7.2413 7.9458 7.9458 7.9541 7.9541 8.4241 8.4241 8.4377 8.4377 9.0890 9.0890 9.0982 9.0982 9.9365 9.9365 9.9906 9.9906 k = 0.5000 0.1827-0.0000 ( 4458 PWs) bands (ev): -0.1284 -0.1284 -0.1228 -0.1228 1.4494 1.4494 1.4510 1.4510 4.2158 4.2158 4.2882 4.2882 4.5039 4.5039 4.5073 4.5073 6.2542 6.2542 6.2921 6.2921 6.4871 6.4871 6.4967 6.4967 7.0717 7.0717 7.2161 7.2161 7.9634 7.9634 7.9735 7.9735 8.4189 8.4189 8.4315 8.4315 9.0965 9.0965 9.1086 9.1086 9.9283 9.9283 9.9828 9.9828 k = 0.5000 0.1929-0.0000 ( 4454 PWs) bands (ev): -0.1169 -0.1169 -0.1110 -0.1110 1.4361 1.4361 1.4377 1.4377 4.2311 4.2311 4.3062 4.3062 4.4783 4.4783 4.4825 4.4825 6.2281 6.2281 6.2750 6.2750 6.4899 6.4899 6.5079 6.5079 7.0402 7.0402 7.1897 7.1897 7.9787 7.9787 7.9907 7.9907 8.4137 8.4137 8.4255 8.4255 9.1038 9.1038 9.1183 9.1183 9.9214 9.9214 9.9762 9.9762 k = 0.5000 0.2030-0.0000 ( 4458 PWs) bands (ev): -0.1061 -0.1061 -0.1000 -0.1000 1.4236 1.4236 1.4253 1.4253 4.2456 4.2456 4.3231 4.3231 4.4554 4.4554 4.4604 4.4604 6.2029 6.2029 6.2563 6.2563 6.4970 6.4970 6.5209 6.5209 7.0089 7.0089 7.1632 7.1632 7.9916 7.9916 8.0055 8.0055 8.4086 8.4086 8.4198 8.4198 9.1105 9.1105 9.1269 9.1269 9.9156 9.9156 9.9705 9.9705 k = 0.5000 0.2132-0.0000 ( 4456 PWs) bands (ev): -0.0962 -0.0962 -0.0900 -0.0900 1.4122 1.4122 1.4139 1.4139 4.2590 4.2590 4.3386 4.3386 4.4352 4.4352 4.4412 4.4412 6.1795 6.1795 6.2375 6.2375 6.5072 6.5072 6.5349 6.5349 6.9787 6.9787 7.1373 7.1373 8.0022 8.0022 8.0181 8.0181 8.4038 8.4038 8.4147 8.4147 9.1166 9.1166 9.1346 9.1346 9.9107 9.9107 9.9658 9.9658 k = 0.5000 0.2233-0.0000 ( 4454 PWs) bands (ev): -0.0875 -0.0875 -0.0811 -0.0811 1.4021 1.4021 1.4038 1.4038 4.2711 4.2711 4.3523 4.3523 4.4179 4.4179 4.4248 4.4248 6.1586 6.1586 6.2198 6.2198 6.5193 6.5193 6.5490 6.5490 6.9501 6.9501 7.1129 7.1129 8.0108 8.0108 8.0283 8.0283 8.3995 8.3995 8.4103 8.4103 9.1219 9.1219 9.1410 9.1410 9.9068 9.9068 9.9619 9.9619 k = 0.5000 0.2335-0.0000 ( 4468 PWs) bands (ev): -0.0801 -0.0801 -0.0736 -0.0736 1.3935 1.3935 1.3952 1.3952 4.2817 4.2817 4.3640 4.3640 4.4034 4.4034 4.4113 4.4113 6.1407 6.1407 6.2041 6.2041 6.5319 6.5319 6.5623 6.5623 6.9241 6.9241 7.0910 7.0910 8.0174 8.0174 8.0365 8.0365 8.3958 8.3958 8.4065 8.4065 9.1262 9.1262 9.1463 9.1463 9.9037 9.9037 9.9588 9.9588 k = 0.5000 0.2436-0.0000 ( 4468 PWs) bands (ev): -0.0742 -0.0742 -0.0676 -0.0676 1.3866 1.3866 1.3883 1.3883 4.2904 4.2904 4.3734 4.3734 4.3918 4.3918 4.4008 4.4008 6.1263 6.1263 6.1913 6.1913 6.5440 6.5440 6.5740 6.5740 6.9017 6.9017 7.0725 7.0725 8.0224 8.0224 8.0426 8.0426 8.3929 8.3929 8.4037 8.4037 9.1297 9.1297 9.1504 9.1504 9.9013 9.9013 9.9565 9.9565 k = 0.5000 0.2538-0.0000 ( 4460 PWs) bands (ev): -0.0698 -0.0698 -0.0632 -0.0632 1.3815 1.3815 1.3833 1.3833 4.2970 4.2970 4.3803 4.3803 4.3833 4.3833 4.3933 4.3933 6.1158 6.1158 6.1817 6.1817 6.5542 6.5542 6.5832 6.5832 6.8843 6.8843 7.0583 7.0583 8.0258 8.0258 8.0469 8.0469 8.3908 8.3908 8.4016 8.4016 9.1323 9.1323 9.1534 9.1534 9.8997 9.8997 9.9549 9.9549 k = 0.5000 0.2639-0.0000 ( 4460 PWs) bands (ev): -0.0672 -0.0672 -0.0605 -0.0605 1.3785 1.3785 1.3802 1.3802 4.3012 4.3012 4.3781 4.3781 4.3845 4.3845 4.3888 4.3888 6.1094 6.1094 6.1759 6.1759 6.5610 6.5610 6.5892 6.5892 6.8731 6.8731 7.0494 7.0494 8.0278 8.0278 8.0494 8.0494 8.3895 8.3895 8.4004 8.4004 9.1338 9.1338 9.1551 9.1551 9.8987 9.8987 9.9539 9.9539 k = 0.5000 0.2741-0.0000 ( 4460 PWs) bands (ev): -0.0663 -0.0663 -0.0596 -0.0596 1.3774 1.3774 1.3791 1.3791 4.3027 4.3027 4.3763 4.3763 4.3860 4.3860 4.3872 4.3872 6.1072 6.1072 6.1739 6.1739 6.5635 6.5635 6.5912 6.5912 6.8692 6.8692 7.0464 7.0464 8.0285 8.0285 8.0503 8.0503 8.3890 8.3890 8.4000 8.4000 9.1343 9.1343 9.1557 9.1557 9.8984 9.8984 9.9536 9.9536 k = 0.5000 0.2741-0.0000 ( 4460 PWs) bands (ev): -0.0663 -0.0663 -0.0596 -0.0596 1.3774 1.3774 1.3791 1.3791 4.3027 4.3027 4.3763 4.3763 4.3860 4.3860 4.3872 4.3872 6.1072 6.1072 6.1739 6.1739 6.5635 6.5635 6.5912 6.5912 6.8692 6.8692 7.0464 7.0464 8.0285 8.0285 8.0503 8.0503 8.3890 8.3890 8.4000 8.4000 9.1343 9.1343 9.1557 9.1557 9.8984 9.8984 9.9536 9.9536 k = 0.4900 0.2741-0.0000 ( 4464 PWs) bands (ev): -0.0721 -0.0721 -0.0654 -0.0654 1.3762 1.3762 1.3780 1.3780 4.2770 4.2770 4.3295 4.3295 4.4234 4.4234 4.4437 4.4437 6.0961 6.0961 6.1652 6.1652 6.5613 6.5613 6.5909 6.5909 6.8796 6.8796 7.0563 7.0563 8.0285 8.0285 8.0502 8.0502 8.3888 8.3888 8.3998 8.3998 9.1352 9.1352 9.1567 9.1567 9.8998 9.8998 9.9551 9.9551 k = 0.4800 0.2741-0.0000 ( 4466 PWs) bands (ev): -0.0893 -0.0893 -0.0827 -0.0827 1.3725 1.3725 1.3743 1.3743 4.2403 4.2403 4.2902 4.2902 4.4919 4.4919 4.5156 4.5156 6.0644 6.0644 6.1400 6.1400 6.5562 6.5562 6.5906 6.5906 6.9085 6.9085 7.0844 7.0844 8.0285 8.0285 8.0501 8.0501 8.3883 8.3883 8.3993 8.3993 9.1380 9.1380 9.1598 9.1598 9.9042 9.9042 9.9595 9.9595 k = 0.4700 0.2741-0.0000 ( 4470 PWs) bands (ev): -0.1173 -0.1173 -0.1108 -0.1108 1.3657 1.3657 1.3675 1.3675 4.2121 4.2121 4.2637 4.2637 4.5727 4.5727 4.5962 4.5962 6.0160 6.0160 6.0998 6.0998 6.5507 6.5507 6.5917 6.5917 6.9509 6.9509 7.1259 7.1259 8.0285 8.0285 8.0498 8.0498 8.3873 8.3873 8.3984 8.3984 9.1428 9.1428 9.1650 9.1650 9.9115 9.9115 9.9667 9.9667 k = 0.4600 0.2741-0.0000 ( 4470 PWs) bands (ev): -0.1552 -0.1552 -0.1488 -0.1488 1.3551 1.3551 1.3570 1.3570 4.1959 4.1959 4.2509 4.2509 4.6620 4.6620 4.6841 4.6841 5.9551 5.9551 6.0476 6.0476 6.5472 6.5472 6.5949 6.5949 7.0017 7.0017 7.1762 7.1762 8.0285 8.0285 8.0495 8.0495 8.3859 8.3859 8.3973 8.3973 9.1494 9.1494 9.1724 9.1724 9.9215 9.9215 9.9769 9.9769 k = 0.4500 0.2741-0.0000 ( 4470 PWs) bands (ev): -0.2018 -0.2018 -0.1956 -0.1956 1.3400 1.3400 1.3419 1.3419 4.1924 4.1924 4.2522 4.2522 4.7580 4.7580 4.7780 4.7780 5.8858 5.8858 5.9865 5.9865 6.5465 6.5465 6.6005 6.6005 7.0569 7.0569 7.2311 7.2311 8.0286 8.0286 8.0490 8.0490 8.3843 8.3843 8.3959 8.3959 9.1581 9.1581 9.1822 9.1822 9.9344 9.9344 9.9898 9.9898 k = 0.4400 0.2741-0.0000 ( 4474 PWs) bands (ev): -0.2560 -0.2560 -0.2500 -0.2500 1.3196 1.3196 1.3216 1.3216 4.2019 4.2019 4.2676 4.2676 4.8596 4.8596 4.8769 4.8769 5.8112 5.8112 5.9195 5.9195 6.5488 6.5488 6.6086 6.6086 7.1135 7.1135 7.2877 7.2877 8.0285 8.0285 8.0484 8.0484 8.3823 8.3823 8.3943 8.3943 9.1688 9.1688 9.1944 9.1944 9.9498 9.9498 10.0052 10.0052 k = 0.4300 0.2741-0.0000 ( 4472 PWs) bands (ev): -0.3164 -0.3164 -0.3106 -0.3106 1.2935 1.2935 1.2956 1.2956 4.2239 4.2239 4.2969 4.2969 4.9655 4.9655 4.9791 4.9791 5.7338 5.7338 5.8493 5.8493 6.5540 6.5540 6.6192 6.6192 7.1697 7.1697 7.3437 7.3437 8.0285 8.0285 8.0476 8.0476 8.3802 8.3802 8.3926 8.3926 9.1817 9.1817 9.2094 9.2094 9.9676 9.9676 10.0230 10.0230 k = 0.4200 0.2741-0.0000 ( 4472 PWs) bands (ev): -0.3820 -0.3820 -0.3765 -0.3765 1.2616 1.2616 1.2637 1.2637 4.2572 4.2572 4.3392 4.3392 5.0748 5.0748 5.0830 5.0830 5.6561 5.6561 5.7784 5.7784 6.5619 6.5619 6.6324 6.6324 7.2239 7.2239 7.3976 7.3976 8.0284 8.0284 8.0466 8.0466 8.3780 8.3780 8.3910 8.3910 9.1969 9.1969 9.2272 9.2272 9.9873 9.9873 10.0427 10.0427 k = 0.4100 0.2741-0.0000 ( 4472 PWs) bands (ev): -0.4518 -0.4518 -0.4464 -0.4464 1.2239 1.2239 1.2261 1.2261 4.3001 4.3001 4.3934 4.3934 5.1853 5.1853 5.1863 5.1863 5.5820 5.5820 5.7090 5.7090 6.5726 6.5726 6.6484 6.6484 7.2752 7.2752 7.4482 7.4482 8.0284 8.0284 8.0454 8.0454 8.3757 8.3757 8.3894 8.3894 9.2145 9.2145 9.2481 9.2481 10.0086 10.0086 10.0639 10.0639 k = 0.4000 0.2741-0.0000 ( 4484 PWs) bands (ev): -0.5247 -0.5247 -0.5196 -0.5196 1.1809 1.1809 1.1831 1.1831 4.3502 4.3502 4.4575 4.4575 5.2772 5.2772 5.2988 5.2988 5.5207 5.5207 5.6438 5.6438 6.5860 6.5860 6.6674 6.6674 7.3229 7.3229 7.4946 7.4946 8.0284 8.0284 8.0440 8.0440 8.3735 8.3735 8.3880 8.3880 9.2346 9.2346 9.2724 9.2724 10.0308 10.0308 10.0858 10.0858 k = 0.3900 0.2741-0.0000 ( 4468 PWs) bands (ev): -0.6000 -0.6000 -0.5951 -0.5951 1.1329 1.1329 1.1351 1.1351 4.4044 4.4044 4.5288 4.5288 5.3249 5.3249 5.4108 5.4108 5.5073 5.5073 5.5863 5.5863 6.6024 6.6024 6.6899 6.6899 7.3663 7.3663 7.5361 7.5361 8.0286 8.0286 8.0426 8.0426 8.3716 8.3716 8.3870 8.3870 9.2575 9.2575 9.3002 9.3002 10.0530 10.0530 10.1078 10.1078 k = 0.3800 0.2741-0.0000 ( 4468 PWs) bands (ev): -0.6771 -0.6771 -0.6724 -0.6724 1.0807 1.0807 1.0829 1.0829 4.4584 4.4584 4.6030 4.6030 5.3016 5.3016 5.5077 5.5077 5.5532 5.5532 5.5711 5.5711 6.6218 6.6218 6.7160 6.7160 7.4053 7.4053 7.5723 7.5723 8.0290 8.0290 8.0410 8.0410 8.3701 8.3701 8.3865 8.3865 9.2832 9.2832 9.3319 9.3319 10.0743 10.0743 10.1289 10.1289 k = 0.3700 0.2741-0.0000 ( 4478 PWs) bands (ev): -0.7552 -0.7552 -0.7507 -0.7507 1.0249 1.0249 1.0270 1.0270 4.5067 4.5067 4.6726 4.6726 5.2611 5.2611 5.4976 5.4976 5.6403 5.6403 5.6633 5.6633 6.6448 6.6448 6.7462 6.7462 7.4397 7.4397 7.6028 7.6028 8.0296 8.0296 8.0393 8.0393 8.3691 8.3691 8.3866 8.3866 9.3121 9.3121 9.3678 9.3678 10.0936 10.0936 10.1480 10.1480 k = 0.3600 0.2741-0.0000 ( 4482 PWs) bands (ev): -0.8338 -0.8338 -0.8295 -0.8295 0.9662 0.9662 0.9682 0.9682 4.5433 4.5433 4.7250 4.7250 5.2387 5.2387 5.4857 5.4857 5.7459 5.7459 5.7595 5.7595 6.6717 6.6717 6.7810 6.7810 7.4693 7.4693 7.6278 7.6278 8.0307 8.0307 8.0377 8.0377 8.3688 8.3688 8.3876 8.3876 9.3443 9.3443 9.4080 9.4080 10.1099 10.1099 10.1642 10.1642 k = 0.3500 0.2741-0.0000 ( 4490 PWs) bands (ev): -0.9126 -0.9126 -0.9085 -0.9085 0.9051 0.9051 0.9071 0.9071 4.5629 4.5629 4.7451 4.7451 5.2535 5.2535 5.4973 5.4973 5.8482 5.8482 5.8532 5.8532 6.7031 6.7031 6.8208 6.8208 7.4941 7.4941 7.6470 7.6470 8.0323 8.0323 8.0361 8.0361 8.3695 8.3695 8.3895 8.3895 9.3802 9.3802 9.4530 9.4530 10.1223 10.1223 10.1770 10.1770 k = 0.3400 0.2741-0.0000 ( 4486 PWs) bands (ev): -0.9911 -0.9911 -0.9872 -0.9872 0.8424 0.8424 0.8443 0.8443 4.5626 4.5626 4.7281 4.7281 5.3109 5.3109 5.5346 5.5346 5.9420 5.9420 5.9453 5.9453 6.7394 6.7394 6.8657 6.8657 7.5145 7.5145 7.6610 7.6610 8.0345 8.0345 8.0348 8.0348 8.3714 8.3714 8.3926 8.3926 9.4200 9.4200 9.5031 9.5031 10.1304 10.1304 10.1858 10.1858 k = 0.3300 0.2741-0.0000 ( 4490 PWs) bands (ev): -1.0691 -1.0691 -1.0653 -1.0653 0.7784 0.7784 0.7803 0.7803 4.5435 4.5435 4.6844 4.6844 5.4000 5.4000 5.5957 5.5957 6.0245 6.0245 6.0360 6.0360 6.7809 6.7809 6.9155 6.9155 7.5306 7.5306 7.6698 7.6698 8.0338 8.0338 8.0373 8.0373 8.3745 8.3745 8.3969 8.3969 9.4639 9.4639 9.5583 9.5583 10.1342 10.1342 10.1911 10.1911 k = 0.3200 0.2741-0.0000 ( 4492 PWs) bands (ev): -1.1461 -1.1461 -1.1425 -1.1425 0.7139 0.7139 0.7156 0.7156 4.5092 4.5092 4.6258 4.6258 5.5078 5.5078 5.6756 5.6756 6.1005 6.1005 6.1199 6.1199 6.8278 6.8278 6.9699 6.9699 7.5427 7.5427 7.6742 7.6742 8.0330 8.0330 8.0406 8.0406 8.3792 8.3792 8.4026 8.4026 9.5119 9.5119 9.6184 9.6184 10.1346 10.1346 10.1936 10.1936 k = 0.3100 0.2741-0.0000 ( 4496 PWs) bands (ev): -1.2221 -1.2221 -1.2186 -1.2186 0.6490 0.6490 0.6507 0.6507 4.4639 4.4639 4.5599 4.5599 5.6256 5.6256 5.7684 5.7684 6.1702 6.1702 6.1974 6.1974 6.8797 6.8797 7.0278 7.0278 7.5512 7.5512 7.6747 7.6747 8.0327 8.0327 8.0445 8.0445 8.3855 8.3855 8.4097 8.4097 9.5637 9.5637 9.6829 9.6829 10.1335 10.1335 10.1951 10.1951 k = 0.3000 0.2741-0.0000 ( 4496 PWs) bands (ev): -1.2967 -1.2967 -1.2934 -1.2934 0.5843 0.5843 0.5860 0.5860 4.4111 4.4111 4.4906 4.4906 5.7476 5.7476 5.8681 5.8681 6.2348 6.2348 6.2699 6.2699 6.9357 6.9357 7.0880 7.0880 7.5567 7.5567 7.6720 7.6720 8.0328 8.0328 8.0487 8.0487 8.3936 8.3936 8.4185 8.4185 9.6184 9.6184 9.7499 9.7499 10.1345 10.1345 10.1981 10.1981 k = 0.2900 0.2741-0.0000 ( 4484 PWs) bands (ev): -1.3698 -1.3698 -1.3667 -1.3667 0.5201 0.5201 0.5217 0.5217 4.3537 4.3537 4.4200 4.4200 5.8693 5.8693 5.9690 5.9690 6.2962 6.2962 6.3396 6.3396 6.9946 6.9946 7.1490 7.1490 7.5599 7.5599 7.6668 7.6668 8.0335 8.0335 8.0533 8.0533 8.4036 8.4036 8.4290 8.4290 9.6745 9.6745 9.8153 9.8153 10.1434 10.1434 10.2061 10.2061 k = 0.2800 0.2741-0.0000 ( 4476 PWs) bands (ev): -1.4413 -1.4413 -1.4383 -1.4383 0.4566 0.4566 0.4581 0.4581 4.2935 4.2935 4.3495 4.3495 5.9861 5.9861 6.0653 6.0653 6.3574 6.3574 6.4101 6.4101 7.0551 7.0551 7.2092 7.2092 7.5612 7.5612 7.6601 7.6601 8.0346 8.0346 8.0582 8.0582 8.4153 8.4153 8.4411 8.4411 9.7294 9.7294 9.8714 9.8714 10.1698 10.1698 10.2234 10.2234 k = 0.2700 0.2741-0.0000 ( 4488 PWs) bands (ev): -1.5110 -1.5110 -1.5082 -1.5082 0.3941 0.3941 0.3956 0.3956 4.2319 4.2319 4.2796 4.2796 6.0926 6.0926 6.1515 6.1515 6.4223 6.4223 6.4848 6.4848 7.1158 7.1158 7.2675 7.2675 7.5617 7.5617 7.6524 7.6524 8.0361 8.0361 8.0632 8.0632 8.4287 8.4287 8.4548 8.4548 9.7796 9.7796 9.9101 9.9101 10.2235 10.2235 10.2552 10.2552 k = 0.2600 0.2741-0.0000 ( 4476 PWs) bands (ev): -1.5788 -1.5788 -1.5761 -1.5761 0.3329 0.3329 0.3342 0.3342 4.1700 4.1700 4.2109 4.2109 6.1835 6.1835 6.2241 6.2241 6.4951 6.4951 6.5655 6.5655 7.1759 7.1759 7.3226 7.3226 7.5624 7.5624 7.6450 7.6450 8.0384 8.0384 8.0686 8.0686 8.4436 8.4436 8.4701 8.4701 9.8225 9.8225 9.9316 9.9316 10.3056 10.3056 10.3063 10.3063 k = 0.2500 0.2741-0.0000 ( 4480 PWs) bands (ev): -1.6445 -1.6445 -1.6420 -1.6420 0.2730 0.2730 0.2743 0.2743 4.1084 4.1084 4.1438 4.1438 6.2560 6.2560 6.2828 6.2828 6.5767 6.5767 6.6506 6.6506 7.2344 7.2344 7.3738 7.3738 7.5643 7.5643 7.6388 7.6388 8.0412 8.0412 8.0743 8.0743 8.4595 8.4595 8.4865 8.4865 9.8577 9.8577 9.9438 9.9438 10.3765 10.3765 10.4118 10.4118 k = 0.2400 0.2741-0.0000 ( 4480 PWs) bands (ev): -1.7082 -1.7082 -1.7057 -1.7057 0.2147 0.2147 0.2159 0.2159 4.0477 4.0477 4.0785 4.0785 6.3119 6.3119 6.3298 6.3298 6.6635 6.6635 6.7358 6.7358 7.2907 7.2907 7.4203 7.4203 7.5693 7.5693 7.6350 7.6350 8.0450 8.0450 8.0807 8.0807 8.4759 8.4759 8.5036 8.5036 9.8877 9.8877 9.9543 9.9543 10.4662 10.4662 10.5341 10.5341 k = 0.2300 0.2741-0.0000 ( 4478 PWs) bands (ev): -1.7696 -1.7696 -1.7673 -1.7673 0.1581 0.1581 0.1593 0.1593 3.9881 3.9881 4.0151 4.0151 6.3554 6.3554 6.3679 6.3679 6.7494 6.7494 6.8161 6.8161 7.3439 7.3439 7.4607 7.4607 7.5797 7.5797 7.6353 7.6353 8.0501 8.0501 8.0880 8.0880 8.4924 8.4924 8.5210 8.5210 9.9167 9.9167 9.9686 9.9686 10.5715 10.5715 10.6691 10.6691 k = 0.2200 0.2741-0.0000 ( 4478 PWs) bands (ev): -1.8288 -1.8288 -1.8266 -1.8266 0.1033 0.1033 0.1044 0.1044 3.9301 3.9301 3.9538 3.9538 6.3903 6.3903 6.3995 6.3995 6.8285 6.8285 6.8875 6.8875 7.3924 7.3924 7.4934 7.4934 7.5983 7.5983 7.6417 7.6417 8.0567 8.0567 8.0967 8.0967 8.5081 8.5081 8.5380 8.5380 9.9487 9.9487 9.9904 9.9904 10.6886 10.6886 10.8147 10.8147 k = 0.2100 0.2741-0.0000 ( 4484 PWs) bands (ev): -1.8857 -1.8857 -1.8836 -1.8836 0.0504 0.0504 0.0515 0.0515 3.8738 3.8738 3.8948 3.8948 6.4194 6.4194 6.4265 6.4265 6.8965 6.8965 6.9474 6.9474 7.4339 7.4339 7.5179 7.5179 7.6259 7.6259 7.6561 7.6561 8.0655 8.0655 8.1071 8.1071 8.5223 8.5223 8.5536 8.5536 9.9872 9.9872 10.0226 10.0226 10.8137 10.8137 10.9692 10.9692 k = 0.2000 0.2741-0.0000 ( 4484 PWs) bands (ev): -1.9402 -1.9402 -1.9383 -1.9383 -0.0004 -0.0004 0.0007 0.0007 3.8195 3.8195 3.8381 3.8381 6.4443 6.4443 6.4498 6.4498 6.9516 6.9516 6.9949 6.9949 7.4667 7.4667 7.5366 7.5366 7.6598 7.6598 7.6789 7.6789 8.0771 8.0771 8.1199 8.1199 8.5344 8.5344 8.5671 8.5671 10.0348 10.0348 10.0673 10.0673 10.9431 10.9431 11.1311 11.1311 k = 0.1900 0.2741-0.0000 ( 4480 PWs) bands (ev): -1.9923 -1.9923 -1.9904 -1.9904 -0.0491 -0.0491 -0.0481 -0.0481 3.7672 3.7672 3.7838 3.7838 6.4659 6.4659 6.4702 6.4702 6.9935 6.9935 7.0306 7.0306 7.4913 7.4913 7.5525 7.5525 7.6957 7.6957 7.7080 7.7080 8.0920 8.0920 8.1355 8.1355 8.5437 8.5437 8.5777 8.5777 10.0935 10.0935 10.1261 10.1261 11.0726 11.0726 11.2990 11.2990 k = 0.1800 0.2741-0.0000 ( 4484 PWs) bands (ev): -2.0419 -2.0419 -2.0401 -2.0401 -0.0956 -0.0956 -0.0946 -0.0946 3.7172 3.7172 3.7320 3.7320 6.4848 6.4848 6.4882 6.4882 7.0234 7.0234 7.0558 7.0558 7.5098 7.5098 7.5670 7.5670 7.7299 7.7299 7.7392 7.7392 8.1107 8.1107 8.1540 8.1540 8.5498 8.5498 8.5846 8.5846 10.1641 10.1641 10.1998 10.1998 11.1976 11.1976 11.4691 11.4691 k = 0.1700 0.2741-0.0000 ( 4476 PWs) bands (ev): -2.0890 -2.0890 -2.0873 -2.0873 -0.1398 -0.1398 -0.1389 -0.1389 3.6695 3.6695 3.6827 3.6827 6.5016 6.5016 6.5043 6.5043 7.0436 7.0436 7.0724 7.0724 7.5250 7.5250 7.5807 7.5807 7.7599 7.7599 7.7684 7.7684 8.1331 8.1331 8.1754 8.1754 8.5525 8.5525 8.5875 8.5875 10.2468 10.2468 10.2884 10.2884 11.3129 11.3129 11.6119 11.6119 k = 0.1600 0.2741-0.0000 ( 4484 PWs) bands (ev): -2.1335 -2.1335 -2.1320 -2.1320 -0.1818 -0.1818 -0.1809 -0.1809 3.6242 3.6242 3.6360 3.6360 6.5164 6.5164 6.5186 6.5186 7.0560 7.0560 7.0822 7.0822 7.5382 7.5382 7.5936 7.5936 7.7846 7.7846 7.7934 7.7934 8.1584 8.1584 8.1990 8.1990 8.5517 8.5517 8.5863 8.5863 10.3407 10.3407 10.3910 10.3910 11.4138 11.4138 11.6384 11.6384 k = 0.1500 0.2741-0.0000 ( 4484 PWs) bands (ev): -2.1755 -2.1755 -2.1741 -2.1741 -0.2214 -0.2214 -0.2206 -0.2206 3.5814 3.5814 3.5919 3.5919 6.5296 6.5296 6.5312 6.5312 7.0629 7.0629 7.0869 7.0869 7.5506 7.5506 7.6058 7.6058 7.8037 7.8037 7.8134 7.8134 8.1855 8.1855 8.2238 8.2238 8.5478 8.5478 8.5813 8.5813 10.4442 10.4442 10.5056 10.5056 11.4974 11.4974 11.6361 11.6361 k = 0.1400 0.2741-0.0000 ( 4480 PWs) bands (ev): -2.2148 -2.2148 -2.2135 -2.2135 -0.2586 -0.2586 -0.2578 -0.2578 3.5411 3.5411 3.5505 3.5505 6.5411 6.5411 6.5424 6.5424 7.0658 7.0658 7.0879 7.0879 7.5626 7.5626 7.6173 7.6173 7.8180 7.8180 7.8287 7.8287 8.2131 8.2131 8.2489 8.2489 8.5411 8.5411 8.5728 8.5728 10.5546 10.5546 10.6297 10.6297 11.5643 11.5643 11.6323 11.6323 k = 0.1300 0.2741-0.0000 ( 4472 PWs) bands (ev): -2.2516 -2.2516 -2.2503 -2.2503 -0.2933 -0.2933 -0.2926 -0.2926 3.5034 3.5034 3.5118 3.5118 6.5513 6.5513 6.5522 6.5522 7.0660 7.0660 7.0863 7.0863 7.5744 7.5744 7.6282 7.6282 7.8284 7.8284 7.8400 7.8400 8.2396 8.2396 8.2731 8.2731 8.5323 8.5323 8.5616 8.5616 10.6684 10.6684 10.7593 10.7593 11.6178 11.6178 11.6319 11.6319 k = 0.1200 0.2741-0.0000 ( 4484 PWs) bands (ev): -2.2856 -2.2856 -2.2845 -2.2845 -0.3256 -0.3256 -0.3250 -0.3250 3.4684 3.4684 3.4759 3.4759 6.5600 6.5600 6.5607 6.5607 7.0643 7.0643 7.0830 7.0830 7.5859 7.5859 7.6384 7.6384 7.8357 7.8357 7.8482 7.8482 8.2641 8.2641 8.2956 8.2956 8.5221 8.5221 8.5483 8.5483 10.7814 10.7814 10.8892 10.8892 11.6388 11.6388 11.6624 11.6624 k = 0.1100 0.2741-0.0000 ( 4480 PWs) bands (ev): -2.3171 -2.3171 -2.3160 -2.3160 -0.3554 -0.3554 -0.3548 -0.3548 3.4361 3.4361 3.4427 3.4427 6.5675 6.5675 6.5681 6.5681 7.0617 7.0617 7.0787 7.0787 7.5974 7.5974 7.6480 7.6480 7.8409 7.8409 7.8539 7.8539 8.2857 8.2857 8.3159 8.3159 8.5113 8.5113 8.5340 8.5340 10.8885 10.8885 11.0120 11.0120 11.6582 11.6582 11.7019 11.7019 k = 0.1000 0.2741-0.0000 ( 4464 PWs) bands (ev): -2.3458 -2.3458 -2.3449 -2.3449 -0.3827 -0.3827 -0.3822 -0.3822 3.4064 3.4064 3.4123 3.4123 6.5739 6.5739 6.5744 6.5744 7.0585 7.0585 7.0738 7.0738 7.6087 7.6087 7.6570 7.6570 7.8446 7.8446 7.8578 7.8578 8.3039 8.3039 8.3333 8.3333 8.5009 8.5009 8.5194 8.5194 10.9847 10.9847 11.1181 11.1181 11.6960 11.6960 11.7379 11.7379 k = 0.0900 0.2741-0.0000 ( 4472 PWs) bands (ev): -2.3718 -2.3718 -2.3710 -2.3710 -0.4075 -0.4075 -0.4070 -0.4070 3.3796 3.3796 3.3847 3.3847 6.5792 6.5792 6.5796 6.5796 7.0551 7.0551 7.0688 7.0688 7.6197 7.6197 7.6653 7.6653 7.8471 7.8471 7.8604 7.8604 8.3180 8.3180 8.3470 8.3470 8.4917 8.4917 8.5057 8.5057 11.0660 11.0660 11.1987 11.1987 11.7541 11.7541 11.7692 11.7692 k = 0.0800 0.2741-0.0000 ( 4468 PWs) bands (ev): -2.3951 -2.3951 -2.3944 -2.3944 -0.4296 -0.4296 -0.4292 -0.4292 3.3555 3.3555 3.3600 3.3600 6.5836 6.5836 6.5839 6.5839 7.0518 7.0518 7.0638 7.0638 7.6305 7.6305 7.6729 7.6729 7.8490 7.8490 7.8620 7.8620 8.3276 8.3276 8.3566 8.3566 8.4848 8.4848 8.4941 8.4941 11.1306 11.1306 11.2514 11.2514 11.7942 11.7942 11.8169 11.8169 k = 0.0700 0.2741-0.0000 ( 4454 PWs) bands (ev): -2.4157 -2.4157 -2.4151 -2.4151 -0.4492 -0.4492 -0.4489 -0.4489 3.3343 3.3343 3.3381 3.3381 6.5871 6.5871 6.5874 6.5874 7.0488 7.0488 7.0591 7.0591 7.6410 7.6410 7.6797 7.6797 7.8505 7.8505 7.8629 7.8629 8.3330 8.3330 8.3614 8.3614 8.4805 8.4805 8.4858 8.4858 11.1793 11.1793 11.2818 11.2818 11.8129 11.8129 11.8543 11.8543 k = 0.0600 0.2741-0.0000 ( 4466 PWs) bands (ev): -2.4336 -2.4336 -2.4331 -2.4331 -0.4662 -0.4662 -0.4659 -0.4659 3.3158 3.3158 3.3191 3.3191 6.5899 6.5899 6.5901 6.5901 7.0460 7.0460 7.0548 7.0548 7.6508 7.6508 7.6853 7.6853 7.8519 7.8519 7.8633 7.8633 8.3344 8.3344 8.3612 8.3612 8.4788 8.4788 8.4810 8.4810 11.2148 11.2148 11.2977 11.2977 11.8265 11.8265 11.8679 11.8679 k = 0.0500 0.2741-0.0000 ( 4454 PWs) bands (ev): -2.4487 -2.4487 -2.4483 -2.4483 -0.4807 -0.4807 -0.4804 -0.4804 3.3002 3.3002 3.3029 3.3029 6.5921 6.5921 6.5923 6.5923 7.0438 7.0438 7.0511 7.0511 7.6601 7.6601 7.6899 7.6899 7.8532 7.8532 7.8633 7.8633 8.3333 8.3333 8.3572 8.3572 8.4792 8.4792 8.4796 8.4796 11.2403 11.2403 11.3050 11.3050 11.8367 11.8367 11.8722 11.8722 k = 0.0400 0.2741-0.0000 ( 4466 PWs) bands (ev): -2.4611 -2.4611 -2.4607 -2.4607 -0.4925 -0.4925 -0.4922 -0.4922 3.2875 3.2875 3.2896 3.2896 6.5937 6.5937 6.5939 6.5939 7.0421 7.0421 7.0478 7.0478 7.6686 7.6686 7.6931 7.6931 7.8545 7.8545 7.8631 7.8631 8.3309 8.3309 8.3508 8.3508 8.4803 8.4803 8.4806 8.4806 11.2585 11.2585 11.3073 11.3073 11.8444 11.8444 11.8727 11.8727 k = 0.0300 0.2741-0.0000 ( 4476 PWs) bands (ev): -2.4707 -2.4707 -2.4704 -2.4704 -0.5016 -0.5016 -0.5015 -0.5015 3.2776 3.2776 3.2792 3.2792 6.5949 6.5949 6.5950 6.5950 7.0408 7.0408 7.0451 7.0451 7.6761 7.6761 7.6950 7.6950 7.8559 7.8559 7.8625 7.8625 8.3283 8.3283 8.3436 8.3436 8.4819 8.4819 8.4824 8.4824 11.2718 11.2718 11.3066 11.3066 11.8506 11.8506 11.8716 11.8716 k = 0.0200 0.2741-0.0000 ( 4472 PWs) bands (ev): -2.4776 -2.4776 -2.4774 -2.4774 -0.5082 -0.5082 -0.5081 -0.5081 3.2707 3.2707 3.2717 3.2717 6.5957 6.5957 6.5958 6.5958 7.0402 7.0402 7.0430 7.0430 7.6826 7.6826 7.6954 7.6954 7.8573 7.8573 7.8619 7.8619 8.3266 8.3266 8.3370 8.3370 8.4836 8.4836 8.4841 8.4841 11.2817 11.2817 11.3041 11.3041 11.8557 11.8557 11.8696 11.8696 k = 0.0100 0.2741-0.0000 ( 4480 PWs) bands (ev): -2.4817 -2.4817 -2.4816 -2.4816 -0.5121 -0.5121 -0.5120 -0.5120 3.2666 3.2666 3.2671 3.2671 6.5962 6.5962 6.5962 6.5962 7.0400 7.0400 7.0414 7.0414 7.6879 7.6879 7.6943 7.6943 7.8586 7.8586 7.8609 7.8609 8.3264 8.3264 8.3316 8.3316 8.4849 8.4849 8.4852 8.4852 11.2894 11.2894 11.3003 11.3003 11.8600 11.8600 11.8669 11.8669 k = 0.0000 0.2741-0.0000 ( 4476 PWs) bands (ev): -2.4830 -2.4830 -2.4830 -2.4830 -0.5134 -0.5134 -0.5134 -0.5134 3.2654 3.2654 3.2654 3.2654 6.5963 6.5963 6.5963 6.5963 7.0404 7.0404 7.0404 7.0404 7.6918 7.6918 7.6918 7.6918 7.8599 7.8599 7.8599 7.8599 8.3280 8.3280 8.3280 8.3280 8.4855 8.4855 8.4855 8.4855 11.2954 11.2954 11.2954 11.2954 11.8637 11.8637 11.8637 11.8637 k = 0.0000 0.2741-0.0000 ( 4476 PWs) bands (ev): -2.4830 -2.4830 -2.4830 -2.4830 -0.5134 -0.5134 -0.5134 -0.5134 3.2654 3.2654 3.2654 3.2654 6.5963 6.5963 6.5963 6.5963 7.0404 7.0404 7.0404 7.0404 7.6918 7.6918 7.6918 7.6918 7.8599 7.8599 7.8599 7.8599 8.3280 8.3280 8.3280 8.3280 8.4855 8.4855 8.4855 8.4855 11.2954 11.2954 11.2954 11.2954 11.8637 11.8637 11.8637 11.8637 k = 0.0000 0.2639-0.0000 ( 4480 PWs) bands (ev): -2.5535 -2.5535 -2.4106 -2.4106 -0.5199 -0.5199 -0.5079 -0.5079 3.2515 3.2515 3.2857 3.2857 6.4622 6.4622 6.7135 6.7135 7.0318 7.0318 7.0532 7.0532 7.6835 7.6835 7.6991 7.6991 7.8388 7.8388 7.8833 7.8833 8.3223 8.3223 8.3364 8.3364 8.4836 8.4836 8.4877 8.4877 11.2445 11.2445 11.3167 11.3167 11.8423 11.8423 11.9096 11.9096 k = 0.0000 0.2538-0.0000 ( 4484 PWs) bands (ev): -2.6220 -2.6220 -2.3364 -2.3364 -0.5274 -0.5274 -0.5033 -0.5033 3.2442 3.2442 3.3124 3.3124 6.3161 6.3161 6.8054 6.8054 7.0274 7.0274 7.0728 7.0728 7.6740 7.6740 7.7056 7.7056 7.8204 7.8204 7.9082 7.9082 8.3199 8.3199 8.3467 8.3467 8.4820 8.4820 8.4903 8.4903 11.1691 11.1691 11.3112 11.3112 11.8444 11.8444 11.9731 11.9731 k = 0.0000 0.2436-0.0000 ( 4480 PWs) bands (ev): -2.6883 -2.6883 -2.2607 -2.2607 -0.5359 -0.5359 -0.4996 -0.4996 3.2432 3.2432 3.3455 3.3455 6.1617 6.1617 6.8622 6.8622 7.0275 7.0275 7.1056 7.1056 7.6629 7.6629 7.7116 7.7116 7.8048 7.8048 7.9332 7.9332 8.3220 8.3220 8.3589 8.3589 8.4807 8.4807 8.4934 8.4934 11.0776 11.0776 11.2884 11.2884 11.8625 11.8625 12.0436 12.0436 k = 0.0000 0.2335-0.0000 ( 4474 PWs) bands (ev): -2.7524 -2.7524 -2.1836 -2.1836 -0.5453 -0.5453 -0.4967 -0.4967 3.2485 3.2485 3.3849 3.3849 6.0013 6.0013 6.8846 6.8846 7.0285 7.0285 7.1520 7.1520 7.6501 7.6501 7.7171 7.7171 7.7920 7.7920 7.9561 7.9561 8.3294 8.3294 8.3726 8.3726 8.4797 8.4797 8.4971 8.4971 10.9772 10.9772 11.2582 11.2582 11.8889 11.8889 12.1086 12.1086 k = 0.0000 0.2233-0.0000 ( 4470 PWs) bands (ev): -2.8142 -2.8142 -2.1053 -2.1053 -0.5555 -0.5555 -0.4944 -0.4944 3.2600 3.2600 3.4304 3.4304 5.8369 5.8369 6.8859 6.8859 7.0265 7.0265 7.2016 7.2016 7.6355 7.6355 7.7221 7.7221 7.7819 7.7819 7.9741 7.9741 8.3420 8.3420 8.3878 8.3878 8.4789 8.4789 8.5017 8.5017 10.8734 10.8734 11.2287 11.2287 11.9178 11.9178 12.1392 12.1392 k = 0.0000 0.2132-0.0000 ( 4470 PWs) bands (ev): -2.8736 -2.8736 -2.0261 -2.0261 -0.5664 -0.5664 -0.4924 -0.4924 3.2776 3.2776 3.4820 3.4820 5.6700 5.6700 6.8772 6.8772 7.0194 7.0194 7.2450 7.2450 7.6195 7.6195 7.7266 7.7266 7.7742 7.7742 7.9851 7.9851 8.3587 8.3587 8.4044 8.4044 8.4785 8.4785 8.5075 8.5075 10.7695 10.7695 11.2058 11.2058 11.9439 11.9439 12.1002 12.1002 k = 0.0000 0.2030-0.0000 ( 4468 PWs) bands (ev): -2.9306 -2.9306 -1.9464 -1.9464 -0.5780 -0.5780 -0.4906 -0.4906 3.3010 3.3010 3.5394 3.5394 5.5018 5.5018 6.8636 6.8636 7.0065 7.0065 7.2786 7.2786 7.6026 7.6026 7.7304 7.7304 7.7685 7.7685 7.9885 7.9885 8.3769 8.3769 8.4211 8.4211 8.4784 8.4784 8.5148 8.5148 10.6681 10.6681 11.1944 11.1944 11.9532 11.9532 12.0492 12.0492 k = 0.0000 0.1929-0.0000 ( 4466 PWs) bands (ev): -2.9850 -2.9850 -1.8664 -1.8664 -0.5901 -0.5901 -0.4886 -0.4886 3.3299 3.3299 3.6024 3.6024 5.3335 5.3335 6.8474 6.8474 6.9868 6.9868 7.3016 7.3016 7.5855 7.5855 7.7335 7.7335 7.7647 7.7647 7.9848 7.9848 8.3949 8.3949 8.4359 8.4359 8.4786 8.4786 8.5235 8.5235 10.5708 10.5708 11.1979 11.1979 11.9141 11.9141 12.0421 12.0421 k = 0.0000 0.1827-0.0000 ( 4460 PWs) bands (ev): -3.0369 -3.0369 -1.7868 -1.7868 -0.6026 -0.6026 -0.4861 -0.4861 3.3641 3.3641 3.6708 3.6708 5.1659 5.1659 6.8298 6.8298 6.9599 6.9599 7.3139 7.3139 7.5690 7.5690 7.7359 7.7359 7.7622 7.7622 7.9754 7.9754 8.4119 8.4119 8.4467 8.4467 8.4792 8.4792 8.5324 8.5324 10.4787 10.4787 11.2185 11.2185 11.8480 11.8480 12.0618 12.0618 k = 0.0000 0.1726-0.0000 ( 4464 PWs) bands (ev): -3.0862 -3.0862 -1.7079 -1.7079 -0.6153 -0.6153 -0.4826 -0.4826 3.4032 3.4032 3.7445 3.7445 5.0001 5.0001 6.8113 6.8113 6.9252 6.9252 7.3159 7.3159 7.5537 7.5537 7.7375 7.7375 7.7607 7.7607 7.9616 7.9616 8.4277 8.4277 8.4530 8.4530 8.4801 8.4801 8.5396 8.5396 10.3927 10.3927 11.2571 11.2571 11.7783 11.7783 12.0865 12.0865 k = 0.0000 0.1624-0.0000 ( 4466 PWs) bands (ev): -3.1328 -3.1328 -1.6304 -1.6304 -0.6281 -0.6281 -0.4776 -0.4776 3.4468 3.4468 3.8231 3.8231 4.8369 4.8369 6.7921 6.7921 6.8825 6.8825 7.3074 7.3074 7.5400 7.5400 7.7384 7.7384 7.7599 7.7599 7.9449 7.9449 8.4422 8.4422 8.4554 8.4554 8.4814 8.4814 8.5437 8.5437 10.3132 10.3132 11.3127 11.3127 11.7100 11.7100 12.1125 12.1125 k = 0.0000 0.1523-0.0000 ( 4474 PWs) bands (ev): -3.1768 -3.1768 -1.5550 -1.5550 -0.6409 -0.6409 -0.4707 -0.4707 3.4943 3.4943 3.9062 3.9062 4.6773 4.6773 6.7723 6.7723 6.8321 6.8321 7.2882 7.2882 7.5283 7.5283 7.7383 7.7383 7.7594 7.7594 7.9268 7.9268 8.4497 8.4497 8.4596 8.4596 8.4833 8.4833 8.5449 8.5449 10.2405 10.2405 11.3825 11.3825 11.6450 11.6450 12.1396 12.1396 k = 0.0000 0.1421-0.0000 ( 4462 PWs) bands (ev): -3.2180 -3.2180 -1.4825 -1.4825 -0.6535 -0.6535 -0.4612 -0.4612 3.5449 3.5449 3.9934 3.9934 4.5228 4.5228 6.7517 6.7517 6.7748 6.7748 7.2580 7.2580 7.5187 7.5187 7.7375 7.7375 7.7593 7.7593 7.9088 7.9088 8.4448 8.4448 8.4700 8.4700 8.4868 8.4868 8.5445 8.5445 10.1748 10.1748 11.4602 11.4602 11.5868 11.5868 12.1688 12.1688 k = 0.0000 0.1320-0.0000 ( 4464 PWs) bands (ev): -3.2565 -3.2565 -1.4138 -1.4138 -0.6658 -0.6658 -0.4485 -0.4485 3.5976 3.5976 4.0830 4.0830 4.3759 4.3759 6.7088 6.7088 6.7325 6.7325 7.2165 7.2165 7.5108 7.5108 7.7357 7.7357 7.7594 7.7594 7.8922 7.8922 8.4352 8.4352 8.4775 8.4775 8.4936 8.4936 8.5440 8.5440 10.1157 10.1157 11.4989 11.4989 11.5778 11.5778 12.2018 12.2018 k = 0.0000 0.1218-0.0000 ( 4480 PWs) bands (ev): -3.2923 -3.2923 -1.3498 -1.3498 -0.6777 -0.6777 -0.4322 -0.4322 3.6501 3.6501 4.1593 4.1593 4.2545 4.2545 6.6394 6.6394 6.7097 6.7097 7.1641 7.1641 7.5045 7.5045 7.7330 7.7330 7.7596 7.7596 7.8778 7.8778 8.4227 8.4227 8.4813 8.4813 8.5027 8.5027 8.5449 8.5449 10.0633 10.0633 11.4553 11.4553 11.6556 11.6556 12.2408 12.2408 k = 0.0000 0.1117-0.0000 ( 4482 PWs) bands (ev): -3.3252 -3.3252 -1.2914 -1.2914 -0.6890 -0.6890 -0.4118 -0.4118 3.6976 3.6976 4.0904 4.0904 4.2954 4.2954 6.5653 6.5653 6.6854 6.6854 7.1025 7.1025 7.4995 7.4995 7.7297 7.7297 7.7601 7.7601 7.8663 7.8663 8.4086 8.4086 8.4839 8.4839 8.5113 8.5113 8.5479 8.5479 10.0170 10.0170 11.4052 11.4052 11.7384 11.7384 12.2884 12.2884 k = 0.0000 0.1015-0.0000 ( 4482 PWs) bands (ev): -3.3554 -3.3554 -1.2392 -1.2392 -0.6998 -0.6998 -0.3871 -0.3871 3.7248 3.7248 3.9956 3.9956 4.3940 4.3940 6.4880 6.4880 6.6573 6.6573 7.0343 7.0343 7.4956 7.4956 7.7260 7.7260 7.7608 7.7608 7.8576 7.8576 8.3942 8.3942 8.4860 8.4860 8.5177 8.5177 8.5533 8.5533 9.9767 9.9767 11.3576 11.3576 11.8113 11.8113 12.3440 12.3440 k = 0.0000 0.0914-0.0000 ( 4486 PWs) bands (ev): -3.3827 -3.3827 -1.1937 -1.1937 -0.7098 -0.7098 -0.3584 -0.3584 3.6983 3.6983 3.9599 3.9599 4.4989 4.4989 6.4090 6.4090 6.6224 6.6224 6.9641 6.9641 7.4926 7.4926 7.7222 7.7222 7.7615 7.7615 7.8512 7.8512 8.3801 8.3801 8.4879 8.4879 8.5222 8.5222 8.5608 8.5608 9.9417 9.9417 11.3138 11.3138 11.8699 11.8699 12.3958 12.3958 k = 0.0000 0.0812-0.0000 ( 4486 PWs) bands (ev): -3.4072 -3.4072 -1.1551 -1.1551 -0.7189 -0.7189 -0.3263 -0.3263 3.6191 3.6191 3.9846 3.9846 4.6069 4.6069 6.3300 6.3300 6.5768 6.5768 6.8980 6.8980 7.4903 7.4903 7.7187 7.7187 7.7624 7.7624 7.8466 7.8466 8.3672 8.3672 8.4898 8.4898 8.5251 8.5251 8.5692 8.5692 9.9118 9.9118 11.2740 11.2740 11.9141 11.9141 12.4210 12.4211 k = 0.0000 0.0711-0.0000 ( 4488 PWs) bands (ev): -3.4288 -3.4288 -1.1232 -1.1232 -0.7272 -0.7272 -0.2920 -0.2920 3.5250 3.5250 4.0326 4.0326 4.7168 4.7168 6.2526 6.2526 6.5160 6.5160 6.8421 6.8421 7.4885 7.4885 7.7156 7.7156 7.7632 7.7632 7.8435 7.8435 8.3556 8.3556 8.4915 8.4915 8.5273 8.5273 8.5777 8.5777 9.8865 9.8865 11.2385 11.2385 11.9460 11.9460 12.4282 12.4282 k = 0.0000 0.0609-0.0000 ( 4494 PWs) bands (ev): -3.4476 -3.4476 -1.0974 -1.0974 -0.7345 -0.7345 -0.2569 -0.2569 3.4334 3.4334 4.0863 4.0863 4.8276 4.8276 6.1787 6.1787 6.4392 6.4392 6.7997 6.7997 7.4872 7.4872 7.7129 7.7129 7.7640 7.7640 7.8413 7.8413 8.3455 8.3455 8.4931 8.4931 8.5289 8.5289 8.5857 8.5857 9.8653 9.8653 11.2075 11.2075 11.9686 11.9686 12.4299 12.4299 k = 0.0000 0.0508-0.0000 ( 4485 PWs) bands (ev): -3.4635 -3.4635 -1.0771 -1.0771 -0.7408 -0.7408 -0.2229 -0.2229 3.3507 3.3507 4.1393 4.1393 4.9379 4.9379 6.1103 6.1103 6.3500 6.3500 6.7696 6.7696 7.4862 7.4862 7.7107 7.7107 7.7648 7.7648 7.8399 7.8399 8.3372 8.3372 8.4945 8.4945 8.5302 8.5302 8.5928 8.5928 9.8481 9.8481 11.1811 11.1811 11.9845 11.9845 12.4300 12.4300 k = 0.0000 0.0406-0.0000 ( 4491 PWs) bands (ev): -3.4765 -3.4765 -1.0616 -1.0616 -0.7460 -0.7460 -0.1917 -0.1917 3.2797 3.2797 4.1879 4.1879 5.0454 5.0454 6.0499 6.0499 6.2544 6.2544 6.7487 6.7487 7.4854 7.4854 7.7090 7.7090 7.7655 7.7655 7.8390 7.8390 8.3303 8.3303 8.4957 8.4957 8.5312 8.5312 8.5988 8.5988 9.8344 9.8344 11.1593 11.1593 11.9956 11.9956 12.4296 12.4296 k = 0.0000 0.0305-0.0000 ( 4491 PWs) bands (ev): -3.4866 -3.4866 -1.0504 -1.0504 -0.7501 -0.7501 -0.1653 -0.1653 3.2224 3.2224 4.2293 4.2293 5.1466 5.1466 6.0000 6.0000 6.1591 6.1591 6.7346 6.7346 7.4849 7.4849 7.7077 7.7077 7.7660 7.7660 7.8384 7.8384 8.3250 8.3250 8.4967 8.4967 8.5320 8.5320 8.6037 8.6037 9.8240 9.8240 11.1423 11.1423 12.0032 12.0032 12.4289 12.4289 k = 0.0000 0.0203-0.0000 ( 4487 PWs) bands (ev): -3.4938 -3.4938 -1.0427 -1.0427 -0.7531 -0.7531 -0.1451 -0.1451 3.1805 3.1805 4.2611 4.2611 5.2347 5.2347 5.9638 5.9638 6.0722 6.0722 6.7254 6.7254 7.4846 7.4846 7.7069 7.7069 7.7664 7.7664 7.8380 7.8380 8.3213 8.3213 8.4974 8.4974 8.5325 8.5325 8.6072 8.6072 9.8167 9.8167 11.1300 11.1300 12.0081 12.0081 12.4284 12.4284 k = 0.0000 0.0102-0.0000 ( 4487 PWs) bands (ev): -3.4982 -3.4982 -1.0383 -1.0383 -0.7549 -0.7549 -0.1325 -0.1325 3.1549 3.1549 4.2812 4.2812 5.2984 5.2984 5.9444 5.9444 6.0054 6.0054 6.7201 6.7201 7.4844 7.4844 7.7063 7.7063 7.7667 7.7667 7.8378 7.8378 8.3190 8.3190 8.4979 8.4979 8.5329 8.5329 8.6094 8.6094 9.8124 9.8124 11.1227 11.1227 12.0108 12.0108 12.4281 12.4281 k = 0.0000 0.0000 0.0000 ( 4485 PWs) bands (ev): -3.4996 -3.4996 -1.0368 -1.0368 -0.7555 -0.7555 -0.1282 -0.1282 3.1462 3.1462 4.2881 4.2881 5.3225 5.3225 5.9413 5.9413 5.9768 5.9768 6.7185 6.7185 7.4844 7.4844 7.7062 7.7062 7.7668 7.7668 7.8378 7.8378 8.3183 8.3183 8.4980 8.4980 8.5330 8.5330 8.6101 8.6101 9.8110 9.8110 11.1203 11.1203 12.0117 12.0117 12.4279 12.4279 k = 0.0000 0.0000 0.0000 ( 4485 PWs) bands (ev): -3.4996 -3.4996 -1.0368 -1.0368 -0.7555 -0.7555 -0.1282 -0.1282 3.1462 3.1462 4.2881 4.2881 5.3225 5.3225 5.9413 5.9413 5.9768 5.9768 6.7185 6.7185 7.4844 7.4844 7.7062 7.7062 7.7668 7.7668 7.8378 7.8378 8.3183 8.3183 8.4980 8.4980 8.5330 8.5330 8.6101 8.6101 9.8110 9.8110 11.1203 11.1203 12.0117 12.0117 12.4279 12.4279 k = 0.0000 0.0000 0.0099 ( 4491 PWs) bands (ev): -3.4983 -3.4983 -1.0579 -1.0579 -0.7361 -0.7361 -0.1276 -0.1276 3.1476 3.1476 4.2877 4.2877 5.3275 5.3275 5.8543 5.8543 6.0588 6.0588 6.7232 6.7232 7.4846 7.4846 7.7061 7.7061 7.7668 7.7668 7.8375 7.8375 8.3184 8.3184 8.4979 8.4979 8.5327 8.5327 8.6099 8.6099 9.8119 9.8119 11.1222 11.1222 11.9746 11.9746 12.4326 12.4326 k = 0.0000 0.0000 0.0198 ( 4487 PWs) bands (ev): -3.4943 -3.4943 -1.1095 -1.1095 -0.6896 -0.6896 -0.1260 -0.1260 3.1516 3.1516 4.2868 4.2868 5.3418 5.3418 5.7498 5.7498 6.1481 6.1481 6.7381 6.7381 7.4853 7.4853 7.7060 7.7060 7.7670 7.7670 7.8368 7.8368 8.3188 8.3188 8.4974 8.4974 8.5319 8.5319 8.6095 8.6095 9.8147 9.8147 11.1280 11.1280 11.8783 11.8783 12.4374 12.4374 k = 0.0000 0.0000 0.0297 ( 4497 PWs) bands (ev): -3.4876 -3.4876 -1.1760 -1.1760 -0.6317 -0.6317 -0.1233 -0.1233 3.1581 3.1581 4.2862 4.2862 5.3629 5.3629 5.6464 5.6464 6.2257 6.2257 6.7649 6.7649 7.4864 7.4864 7.7057 7.7057 7.7673 7.7673 7.8354 7.8354 8.3196 8.3196 8.4967 8.4967 8.5306 8.5306 8.6088 8.6088 9.8194 9.8194 11.1375 11.1375 11.7481 11.7481 12.4310 12.4310 k = 0.0000 0.0000 0.0396 ( 4499 PWs) bands (ev): -3.4782 -3.4782 -1.2497 -1.2497 -0.5700 -0.5700 -0.1196 -0.1196 3.1669 3.1669 4.2868 4.2868 5.3809 5.3809 5.5548 5.5548 6.2877 6.2877 6.8057 6.8057 7.4880 7.4880 7.7053 7.7053 7.7676 7.7676 7.8335 7.8335 8.3209 8.3209 8.4957 8.4957 8.5288 8.5288 8.6079 8.6079 9.8261 9.8261 11.1504 11.1504 11.6012 11.6012 12.4103 12.4103 k = 0.0000 0.0000 0.0494 ( 4499 PWs) bands (ev): -3.4662 -3.4662 -1.3271 -1.3271 -0.5081 -0.5081 -0.1149 -0.1149 3.1777 3.1777 4.2899 4.2899 5.3564 5.3564 5.5142 5.5142 6.3322 6.3322 6.8606 6.8606 7.4901 7.4901 7.7044 7.7044 7.7681 7.7681 7.8309 7.8309 8.3232 8.3232 8.4944 8.4944 8.5267 8.5267 8.6068 8.6068 9.8348 9.8348 11.1655 11.1655 11.4491 11.4491 12.3762 12.3762 k = 0.0000 0.0000 0.0593 ( 4481 PWs) bands (ev): -3.4515 -3.4515 -1.4066 -1.4066 -0.4476 -0.4476 -0.1092 -0.1092 3.1901 3.1901 4.2967 4.2967 5.2733 5.2733 5.5403 5.5403 6.3602 6.3602 6.9273 6.9273 7.4927 7.4927 7.7030 7.7030 7.7688 7.7688 7.8276 7.8276 8.3267 8.3267 8.4929 8.4929 8.5243 8.5243 8.6056 8.6056 9.8457 9.8457 11.1755 11.1755 11.3053 11.3053 12.3300 12.3300 k = 0.0000 0.0000 0.0692 ( 4471 PWs) bands (ev): -3.4341 -3.4341 -1.4873 -1.4873 -0.3893 -0.3893 -0.1025 -0.1025 3.2038 3.2038 4.3083 4.3083 5.1734 5.1734 5.5908 5.5908 6.3745 6.3745 7.0010 7.0010 7.4956 7.4956 7.7005 7.7005 7.7695 7.7695 7.8236 7.8236 8.3319 8.3319 8.4913 8.4913 8.5216 8.5216 8.6042 8.6042 9.8590 9.8590 11.1129 11.1129 11.2415 11.2415 12.2729 12.2729 k = 0.0000 0.0000 0.0791 ( 4473 PWs) bands (ev): -3.4141 -3.4141 -1.5687 -1.5687 -0.3340 -0.3340 -0.0950 -0.0950 3.2185 3.2185 4.3257 4.3257 5.0710 5.0710 5.6511 5.6511 6.3781 6.3781 7.0771 7.0771 7.4990 7.4990 7.6962 7.6962 7.7702 7.7702 7.8188 7.8188 8.3393 8.3393 8.4893 8.4893 8.5188 8.5188 8.6028 8.6028 9.8746 9.8746 10.9801 10.9801 11.2589 11.2589 12.2057 12.2057 k = 0.0000 0.0000 0.0890 ( 4477 PWs) bands (ev): -3.3915 -3.3915 -1.6502 -1.6502 -0.2819 -0.2819 -0.0868 -0.0868 3.2341 3.2341 4.3491 4.3491 4.9698 4.9698 5.7172 5.7172 6.3734 6.3734 7.1514 7.1514 7.5028 7.5028 7.6893 7.6893 7.7710 7.7710 7.8137 7.8137 8.3494 8.3494 8.4872 8.4872 8.5163 8.5163 8.6014 8.6014 9.8928 9.8928 10.8484 10.8484 11.2889 11.2889 12.1293 12.1293 k = 0.0000 0.0000 0.0989 ( 4475 PWs) bands (ev): -3.3663 -3.3663 -1.7315 -1.7315 -0.2334 -0.2334 -0.0778 -0.0778 3.2503 3.2503 4.3783 4.3783 4.8721 4.8721 5.7873 5.7873 6.3619 6.3619 7.2205 7.2205 7.5070 7.5070 7.6786 7.6786 7.7720 7.7720 7.8088 7.8088 8.3624 8.3624 8.4850 8.4850 8.5142 8.5142 8.6000 8.6000 9.9139 9.9139 10.7276 10.7276 11.3242 11.3242 12.0447 12.0447 k = 0.0000 0.0000 0.1088 ( 4479 PWs) bands (ev): -3.3384 -3.3384 -1.8124 -1.8124 -0.1888 -0.1888 -0.0682 -0.0682 3.2673 3.2673 4.4110 4.4110 4.7809 4.7809 5.8601 5.8601 6.3445 6.3445 7.2818 7.2818 7.5115 7.5115 7.6631 7.6631 7.7733 7.7733 7.8046 7.8046 8.3783 8.3783 8.4826 8.4826 8.5129 8.5129 8.5989 8.5989 9.9379 9.9379 10.6215 10.6215 11.3634 11.3634 11.9528 11.9528 k = 0.0000 0.0000 0.1187 ( 4477 PWs) bands (ev): -3.3080 -3.3080 -1.8927 -1.8927 -0.1481 -0.1481 -0.0581 -0.0581 3.2852 3.2852 4.4396 4.4396 4.7043 4.7043 5.9346 5.9346 6.3218 6.3218 7.3330 7.3330 7.5164 7.5164 7.6424 7.6424 7.7748 7.7748 7.8015 7.8015 8.3961 8.3961 8.4802 8.4802 8.5131 8.5131 8.5980 8.5980 9.9651 9.9651 10.5327 10.5327 11.4061 11.4061 11.8549 11.8549 k = 0.0000 0.0000 0.1286 ( 4486 PWs) bands (ev): -3.2750 -3.2750 -1.9721 -1.9721 -0.1114 -0.1114 -0.0476 -0.0476 3.3043 3.3043 4.4430 4.4430 4.6635 4.6635 6.0096 6.0096 6.2944 6.2944 7.3717 7.3717 7.5216 7.5216 7.6175 7.6175 7.7768 7.7768 7.7997 7.7997 8.4139 8.4139 8.4778 8.4778 8.5157 8.5157 8.5973 8.5973 9.9956 9.9956 10.4636 10.4636 11.4520 11.4520 11.7522 11.7522 k = 0.0000 0.0000 0.1385 ( 4470 PWs) bands (ev): -3.2394 -3.2394 -2.0505 -2.0505 -0.0789 -0.0789 -0.0368 -0.0368 3.3250 3.3250 4.4004 4.4004 4.6792 4.6792 6.0824 6.0824 6.2644 6.2644 7.3945 7.3945 7.5271 7.5271 7.5921 7.5921 7.7791 7.7791 7.7989 7.7989 8.4296 8.4296 8.4754 8.4754 8.5220 8.5220 8.5972 8.5972 10.0296 10.0296 10.4161 10.4161 11.5007 11.5007 11.6462 11.6462 k = 0.0000 0.0000 0.1483 ( 4478 PWs) bands (ev): -3.2013 -3.2013 -2.1277 -2.1277 -0.0503 -0.0503 -0.0259 -0.0259 3.3477 3.3477 4.3305 4.3305 4.7322 4.7322 6.1409 6.1409 6.2429 6.2429 7.3958 7.3958 7.5327 7.5327 7.5728 7.5728 7.7816 7.7816 7.7988 7.7988 8.4408 8.4408 8.4728 8.4728 8.5322 8.5322 8.5975 8.5975 10.0668 10.0668 10.3914 10.3914 11.5316 11.5316 11.5583 11.5583 k = 0.0000 0.0000 0.1582 ( 4486 PWs) bands (ev): -3.1607 -3.1607 -2.2035 -2.2035 -0.0258 -0.0258 -0.0151 -0.0151 3.3728 3.3728 4.2525 4.2525 4.8028 4.8028 6.1409 6.1409 6.2734 6.2734 7.3724 7.3724 7.5384 7.5384 7.5647 7.5647 7.7841 7.7841 7.7992 7.7992 8.4475 8.4475 8.4703 8.4703 8.5450 8.5450 8.5983 8.5983 10.1075 10.1075 10.3901 10.3901 11.4261 11.4261 11.6077 11.6077 k = 0.0000 0.0000 0.1681 ( 4482 PWs) bands (ev): -3.1176 -3.1176 -2.2780 -2.2780 -0.0053 -0.0053 -0.0044 -0.0044 3.4006 3.4006 4.1733 4.1733 4.8835 4.8835 6.0973 6.0973 6.3408 6.3408 7.3290 7.3290 7.5440 7.5440 7.5654 7.5654 7.7866 7.7866 7.7998 7.7998 8.4511 8.4511 8.4678 8.4678 8.5579 8.5579 8.5997 8.5997 10.1520 10.1520 10.4118 10.4118 11.3164 11.3164 11.6616 11.6616 k = 0.0000 0.0000 0.1780 ( 4482 PWs) bands (ev): -3.0721 -3.0721 -2.3508 -2.3508 0.0057 0.0057 0.0117 0.0117 3.4316 3.4316 4.0956 4.0956 4.9709 4.9709 6.0398 6.0398 6.4147 6.4147 7.2732 7.2732 7.5496 7.5496 7.5694 7.5694 7.7890 7.7890 7.8005 7.8005 8.4528 8.4528 8.4655 8.4655 8.5690 8.5690 8.6016 8.6016 10.2008 10.2008 10.4545 10.4545 11.2077 11.2077 11.7027 11.7027 k = 0.0000 0.0000 0.1879 ( 4476 PWs) bands (ev): -3.0242 -3.0242 -2.4220 -2.4220 0.0153 0.0153 0.0251 0.0251 3.4659 3.4659 4.0203 4.0203 5.0631 5.0631 5.9738 5.9738 6.4896 6.4896 7.2102 7.2102 7.5552 7.5552 7.5736 7.5736 7.7912 7.7912 7.8010 7.8010 8.4535 8.4535 8.4633 8.4633 8.5778 8.5778 8.6035 8.6035 10.2547 10.2547 10.5156 10.5156 11.1010 11.1010 11.6410 11.6410 k = 0.0000 0.0000 0.1978 ( 4480 PWs) bands (ev): -2.9739 -2.9739 -2.4914 -2.4914 0.0241 0.0241 0.0350 0.0350 3.5039 3.5039 3.9480 3.9480 5.1588 5.1588 5.9005 5.9005 6.5644 6.5644 7.1430 7.1430 7.5604 7.5604 7.5767 7.5767 7.7932 7.7932 7.8013 7.8013 8.4538 8.4538 8.4613 8.4613 8.5845 8.5845 8.6050 8.6050 10.3142 10.3142 10.5919 10.5919 10.9976 10.9976 11.5203 11.5203 k = 0.0000 0.0000 0.2077 ( 4482 PWs) bands (ev): -2.9212 -2.9212 -2.5589 -2.5589 0.0318 0.0318 0.0419 0.0419 3.5457 3.5457 3.8791 3.8791 5.2566 5.2566 5.8207 5.8207 6.6387 6.6387 7.0734 7.0734 7.5653 7.5653 7.5785 7.5785 7.7951 7.7951 7.8012 7.8012 8.4540 8.4540 8.4595 8.4595 8.5897 8.5897 8.6055 8.6055 10.3795 10.3795 10.6789 10.6789 10.9002 10.9002 11.3936 11.3936 k = 0.0000 0.0000 0.2176 ( 4482 PWs) bands (ev): -2.8663 -2.8663 -2.6246 -2.6246 0.0383 0.0383 0.0459 0.0459 3.5914 3.5914 3.8138 3.8138 5.3553 5.3553 5.7352 5.7352 6.7124 6.7124 7.0024 7.0024 7.5696 7.5696 7.5789 7.5789 7.7967 7.7967 7.8009 7.8009 8.4544 8.4544 8.4579 8.4579 8.5941 8.5941 8.6049 8.6049 10.4506 10.4506 10.7490 10.7490 10.8345 10.8345 11.2668 11.2668 k = 0.0000 0.0000 0.2275 ( 4484 PWs) bands (ev): -2.8091 -2.8091 -2.6882 -2.6882 0.0431 0.0431 0.0472 0.0472 3.6411 3.6411 3.7523 3.7523 5.4537 5.4537 5.6448 5.6448 6.7856 6.7856 6.9306 6.9306 7.5733 7.5733 7.5781 7.5781 7.7982 7.7982 7.8003 7.8003 8.4548 8.4548 8.4566 8.4566 8.5978 8.5978 8.6033 8.6033 10.5271 10.5271 10.6923 10.6923 10.9085 10.9085 11.1421 11.1421 k = 0.0000 0.0000 0.2373 ( 4492 PWs) bands (ev): -2.7497 -2.7497 -2.7497 -2.7497 0.0462 0.0462 0.0462 0.0462 3.6947 3.6947 3.6947 3.6947 5.5506 5.5506 5.5506 5.5506 6.8583 6.8583 6.8583 6.8583 7.5762 7.5762 7.5762 7.5762 7.7993 7.7993 7.7993 7.7993 8.4555 8.4555 8.4555 8.4555 8.6009 8.6009 8.6009 8.6009 10.6085 10.6085 10.6085 10.6085 11.0214 11.0214 11.0214 11.0214 k = 0.0000 0.0000 0.2373 ( 4492 PWs) bands (ev): -2.7497 -2.7497 -2.7497 -2.7497 0.0462 0.0462 0.0462 0.0462 3.6947 3.6947 3.6947 3.6947 5.5506 5.5506 5.5506 5.5506 6.8583 6.8583 6.8583 6.8583 7.5762 7.5762 7.5762 7.5762 7.7993 7.7993 7.7993 7.7993 8.4555 8.4555 8.4555 8.4555 8.6009 8.6009 8.6009 8.6009 10.6085 10.6085 10.6085 10.6085 11.0214 11.0214 11.0214 11.0214 k = 0.0100-0.0000 0.2373 ( 4484 PWs) bands (ev): -2.7483 -2.7483 -2.7483 -2.7483 0.0474 0.0474 0.0474 0.0474 3.6960 3.6960 3.6962 3.6962 5.5517 5.5517 5.5520 5.5520 6.8580 6.8580 6.8583 6.8583 7.5744 7.5744 7.5778 7.5778 7.7990 7.7990 7.7993 7.7993 8.4464 8.4464 8.4596 8.4596 8.5971 8.5971 8.6079 8.6079 10.6060 10.6060 10.6107 10.6107 11.0196 11.0196 11.0250 11.0250 k = 0.0200-0.0000 0.2373 ( 4484 PWs) bands (ev): -2.7440 -2.7440 -2.7440 -2.7440 0.0509 0.0509 0.0509 0.0509 3.7001 3.7001 3.7004 3.7004 5.5551 5.5551 5.5559 5.5559 6.8574 6.8574 6.8580 6.8580 7.5725 7.5725 7.5792 7.5792 7.7981 7.7981 7.7989 7.7989 8.4330 8.4330 8.4578 8.4578 8.5971 8.5971 8.6169 8.6169 10.6031 10.6031 10.6126 10.6126 11.0196 11.0196 11.0307 11.0307 k = 0.0300-0.0000 0.2373 ( 4482 PWs) bands (ev): -2.7368 -2.7368 -2.7368 -2.7368 0.0567 0.0567 0.0568 0.0568 3.7070 3.7070 3.7074 3.7074 5.5611 5.5611 5.5622 5.5622 6.8564 6.8564 6.8573 6.8573 7.5702 7.5702 7.5806 7.5806 7.7966 7.7966 7.7982 7.7982 8.4165 8.4165 8.4501 8.4501 8.6009 8.6009 8.6271 8.6271 10.5992 10.5992 10.6140 10.6140 11.0209 11.0209 11.0383 11.0383 k = 0.0400-0.0000 0.2373 ( 4482 PWs) bands (ev): -2.7268 -2.7268 -2.7268 -2.7268 0.0649 0.0649 0.0649 0.0649 3.7167 3.7167 3.7172 3.7172 5.5694 5.5694 5.5709 5.5709 6.8551 6.8551 6.8563 6.8563 7.5674 7.5674 7.5818 7.5818 7.7944 7.7944 7.7972 7.7972 8.3974 8.3974 8.4375 8.4375 8.6074 8.6074 8.6378 8.6378 10.5939 10.5939 10.6145 10.6145 11.0234 11.0234 11.0481 11.0481 k = 0.0500-0.0000 0.2373 ( 4486 PWs) bands (ev): -2.7139 -2.7139 -2.7139 -2.7139 0.0754 0.0754 0.0754 0.0754 3.7291 3.7291 3.7298 3.7298 5.5802 5.5802 5.5820 5.5820 6.8534 6.8534 6.8550 6.8550 7.5639 7.5639 7.5828 7.5828 7.7914 7.7914 7.7958 7.7958 8.3761 8.3761 8.4210 8.4210 8.6157 8.6157 8.6485 8.6485 10.5861 10.5861 10.6134 10.6134 11.0265 11.0265 11.0600 11.0600 k = 0.0600-0.0000 0.2373 ( 4486 PWs) bands (ev): -2.6981 -2.6981 -2.6981 -2.6981 0.0882 0.0882 0.0883 0.0883 3.7443 3.7443 3.7451 3.7451 5.5933 5.5933 5.5955 5.5955 6.8514 6.8514 6.8533 6.8533 7.5595 7.5595 7.5834 7.5834 7.7873 7.7873 7.7942 7.7942 8.3530 8.3530 8.4014 8.4014 8.6250 8.6250 8.6589 8.6589 10.5744 10.5744 10.6097 10.6097 11.0295 11.0295 11.0739 11.0739 k = 0.0700-0.0000 0.2373 ( 4478 PWs) bands (ev): -2.6796 -2.6796 -2.6795 -2.6795 0.1033 0.1033 0.1034 0.1034 3.7622 3.7622 3.7631 3.7631 5.6088 5.6088 5.6113 5.6113 6.8490 6.8490 6.8513 6.8513 7.5540 7.5540 7.5835 7.5835 7.7821 7.7821 7.7923 7.7923 8.3282 8.3282 8.3793 8.3793 8.6345 8.6345 8.6690 8.6690 10.5566 10.5566 10.6015 10.6015 11.0315 11.0315 11.0898 11.0898 k = 0.0800-0.0000 0.2373 ( 4486 PWs) bands (ev): -2.6581 -2.6581 -2.6581 -2.6581 0.1207 0.1207 0.1208 0.1208 3.7828 3.7828 3.7838 3.7838 5.6265 5.6265 5.6294 5.6294 6.8462 6.8462 6.8490 6.8490 7.5467 7.5467 7.5826 7.5826 7.7754 7.7754 7.7900 7.7900 8.3017 8.3017 8.3547 8.3547 8.6440 8.6440 8.6784 8.6784 10.5299 10.5299 10.5861 10.5861 11.0312 11.0312 11.1071 11.1071 k = 0.0900-0.0000 0.2373 ( 4486 PWs) bands (ev): -2.6338 -2.6338 -2.6338 -2.6338 0.1404 0.1404 0.1404 0.1404 3.8061 3.8061 3.8071 3.8071 5.6465 5.6465 5.6498 5.6498 6.8429 6.8429 6.8464 6.8464 7.5372 7.5372 7.5804 7.5804 7.7672 7.7672 7.7874 7.7874 8.2739 8.2739 8.3282 8.3282 8.6532 8.6532 8.6873 8.6873 10.4907 10.4907 10.5594 10.5594 11.0277 11.0277 11.1248 11.1248 k = 0.1000-0.0000 0.2373 ( 4478 PWs) bands (ev): -2.6067 -2.6067 -2.6067 -2.6067 0.1622 0.1622 0.1623 0.1623 3.8321 3.8321 3.8331 3.8331 5.6687 5.6687 5.6723 5.6723 6.8393 6.8393 6.8434 6.8434 7.5249 7.5249 7.5759 7.5759 7.7575 7.7575 7.7846 7.7846 8.2449 8.2449 8.2999 8.2999 8.6619 8.6619 8.6954 8.6954 10.4358 10.4358 10.5163 10.5163 11.0208 11.0208 11.1372 11.1372 k = 0.1100-0.0000 0.2373 ( 4478 PWs) bands (ev): -2.5768 -2.5768 -2.5768 -2.5768 0.1863 0.1863 0.1863 0.1863 3.8607 3.8607 3.8617 3.8617 5.6929 5.6929 5.6968 5.6968 6.8353 6.8353 6.8401 6.8401 7.5090 7.5090 7.5679 7.5679 7.7465 7.7465 7.7815 7.7815 8.2151 8.2151 8.2699 8.2699 8.6699 8.6699 8.7027 8.7027 10.3639 10.3639 10.4528 10.4528 11.0123 11.0123 11.1208 11.1208 k = 0.1200-0.0000 0.2373 ( 4474 PWs) bands (ev): -2.5441 -2.5441 -2.5441 -2.5441 0.2126 0.2126 0.2126 0.2126 3.8919 3.8919 3.8928 3.8928 5.7192 5.7192 5.7234 5.7234 6.8308 6.8308 6.8365 6.8365 7.4883 7.4883 7.5547 7.5547 7.7347 7.7347 7.7781 7.7781 8.1848 8.1848 8.2386 8.2386 8.6772 8.6772 8.7092 8.7092 10.2763 10.2763 10.3685 10.3685 11.0051 11.0051 11.0824 11.0824 k = 0.1300-0.0000 0.2373 ( 4484 PWs) bands (ev): -2.5086 -2.5086 -2.5085 -2.5085 0.2410 0.2410 0.2410 0.2410 3.9256 3.9256 3.9264 3.9264 5.7473 5.7473 5.7517 5.7517 6.8259 6.8259 6.8325 6.8325 7.4616 7.4616 7.5337 7.5337 7.7233 7.7233 7.7745 7.7745 8.1546 8.1546 8.2063 8.2063 8.6838 8.6838 8.7148 8.7148 10.1771 10.1771 10.2678 10.2678 11.0016 11.0016 11.0555 11.0555 k = 0.1400-0.0000 0.2373 ( 4472 PWs) bands (ev): -2.4702 -2.4702 -2.4702 -2.4702 0.2714 0.2714 0.2715 0.2715 3.9619 3.9619 3.9625 3.9625 5.7770 5.7770 5.7817 5.7817 6.8205 6.8205 6.8282 6.8282 7.4279 7.4279 7.5028 7.5028 7.7134 7.7134 7.7709 7.7709 8.1251 8.1251 8.1736 8.1736 8.6895 8.6895 8.7195 8.7195 10.0713 10.0713 10.1577 10.1577 11.0027 11.0027 11.0434 11.0434 k = 0.1500-0.0000 0.2373 ( 4476 PWs) bands (ev): -2.4292 -2.4292 -2.4292 -2.4292 0.3039 0.3039 0.3040 0.3040 4.0006 4.0006 4.0009 4.0009 5.8083 5.8083 5.8131 5.8131 6.8147 6.8147 6.8235 6.8235 7.3858 7.3858 7.4598 7.4598 7.7056 7.7056 7.7671 7.7671 8.0968 8.0968 8.1409 8.1409 8.6942 8.6942 8.7231 8.7231 9.9638 9.9638 10.0444 10.0444 11.0082 11.0082 11.0426 11.0426 k = 0.1600-0.0000 0.2373 ( 4476 PWs) bands (ev): -2.3853 -2.3853 -2.3853 -2.3853 0.3384 0.3384 0.3386 0.3386 4.0416 4.0416 4.0417 4.0417 5.8407 5.8407 5.8456 5.8456 6.8084 6.8084 6.8184 6.8184 7.3341 7.3341 7.4040 7.4040 7.6999 7.6999 7.7633 7.7633 8.0700 8.0700 8.1089 8.1089 8.6981 8.6981 8.7257 8.7257 9.8583 9.8583 9.9328 9.9328 11.0173 11.0173 11.0500 11.0500 k = 0.1700-0.0000 0.2373 ( 4474 PWs) bands (ev): -2.3388 -2.3388 -2.3387 -2.3387 0.3748 0.3748 0.3750 0.3750 4.0845 4.0845 4.0852 4.0852 5.8740 5.8740 5.8788 5.8788 6.8017 6.8017 6.8129 6.8129 7.2723 7.2723 7.3357 7.3357 7.6959 7.6959 7.7592 7.7592 8.0449 8.0449 8.0781 8.0781 8.7008 8.7008 8.7272 8.7272 9.7578 9.7578 9.8263 9.8263 11.0288 11.0288 11.0633 11.0633 k = 0.1800-0.0000 0.2373 ( 4474 PWs) bands (ev): -2.2895 -2.2895 -2.2895 -2.2895 0.4130 0.4130 0.4134 0.4134 4.1294 4.1294 4.1309 4.1309 5.9075 5.9075 5.9121 5.9121 6.7945 6.7945 6.8068 6.8068 7.2004 7.2004 7.2560 7.2560 7.6928 7.6928 7.7549 7.7549 8.0213 8.0213 8.0488 8.0488 8.7026 8.7026 8.7276 8.7276 9.6641 9.6641 9.7269 9.7269 11.0412 11.0412 11.0808 11.0808 k = 0.1900-0.0000 0.2373 ( 4478 PWs) bands (ev): -2.2375 -2.2375 -2.2375 -2.2375 0.4530 0.4530 0.4535 0.4535 4.1762 4.1762 4.1787 4.1787 5.9405 5.9405 5.9446 5.9446 6.7868 6.7868 6.8000 6.8000 7.1189 7.1189 7.1669 7.1669 7.6899 7.6899 7.7501 7.7501 7.9991 7.9991 8.0214 8.0214 8.7032 8.7032 8.7267 8.7267 9.5786 9.5786 9.6360 9.6360 11.0526 11.0526 11.1013 11.1013 k = 0.2000-0.0000 0.2373 ( 4470 PWs) bands (ev): -2.1829 -2.1829 -2.1829 -2.1829 0.4947 0.4947 0.4952 0.4952 4.2248 4.2248 4.2286 4.2286 5.9718 5.9718 5.9751 5.9751 6.7786 6.7786 6.7918 6.7918 7.0298 7.0298 7.0713 7.0713 7.6866 7.6866 7.7445 7.7445 7.9781 7.9781 7.9959 7.9959 8.7026 8.7026 8.7246 8.7246 9.5018 9.5018 9.5540 9.5540 11.0591 11.0591 11.1235 11.1235 k = 0.2100-0.0000 0.2373 ( 4468 PWs) bands (ev): -2.1257 -2.1257 -2.1257 -2.1257 0.5379 0.5379 0.5386 0.5386 4.2748 4.2748 4.2804 4.2804 5.9998 5.9998 6.0015 6.0015 6.7695 6.7695 6.7806 6.7806 6.9361 6.9361 6.9742 6.9742 7.6821 7.6821 7.7376 7.7376 7.9578 7.9578 7.9721 7.9721 8.7008 8.7008 8.7212 8.7212 9.4336 9.4336 9.4811 9.4811 11.0534 11.0534 11.1455 11.1455 k = 0.2200-0.0000 0.2373 ( 4454 PWs) bands (ev): -2.0659 -2.0659 -2.0658 -2.0658 0.5825 0.5825 0.5834 0.5834 4.3261 4.3261 4.3339 4.3339 6.0203 6.0203 6.0214 6.0214 6.7578 6.7578 6.7607 6.7607 6.8436 6.8436 6.8862 6.8862 7.6758 7.6758 7.7289 7.7289 7.9385 7.9385 7.9501 7.9501 8.6979 8.6979 8.7165 8.7165 9.3739 9.3739 9.4169 9.4169 11.0219 11.0219 11.1605 11.1605 k = 0.2300-0.0000 0.2373 ( 4454 PWs) bands (ev): -2.0035 -2.0035 -2.0034 -2.0034 0.6284 0.6284 0.6295 0.6295 4.3782 4.3782 4.3891 4.3891 6.0262 6.0262 6.0323 6.0323 6.7181 6.7181 6.7267 6.7267 6.7752 6.7752 6.8280 6.8280 7.6667 7.6667 7.7178 7.7178 7.9201 7.9201 7.9297 7.9297 8.6936 8.6936 8.7106 8.7106 9.3221 9.3221 9.3607 9.3607 10.9519 10.9519 11.1260 11.1260 k = 0.2400-0.0000 0.2373 ( 4454 PWs) bands (ev): -1.9386 -1.9386 -1.9386 -1.9386 0.6754 0.6754 0.6767 0.6767 4.4306 4.4306 4.4455 4.4455 6.0117 6.0117 6.0260 6.0260 6.6587 6.6587 6.6597 6.6597 6.7553 6.7553 6.8026 6.8026 7.6541 7.6541 7.7035 7.7035 7.9028 7.9028 7.9113 7.9113 8.6880 8.6880 8.7033 8.7033 9.2774 9.2774 9.3120 9.3120 10.8492 10.8492 11.0016 11.0016 k = 0.2500-0.0000 0.2373 ( 4458 PWs) bands (ev): -1.8713 -1.8713 -1.8712 -1.8712 0.7234 0.7234 0.7250 0.7250 4.4827 4.4827 4.5029 4.5029 5.9694 5.9694 5.9957 5.9957 6.6030 6.6030 6.6111 6.6111 6.7464 6.7464 6.7900 6.7900 7.6372 7.6372 7.6853 7.6853 7.8871 7.8871 7.8949 7.8949 8.6811 8.6811 8.6948 8.6948 9.2392 9.2392 9.2698 9.2698 10.7298 10.7298 10.8576 10.8576 k = 0.2600-0.0000 0.2373 ( 4460 PWs) bands (ev): -1.8016 -1.8016 -1.8015 -1.8015 0.7720 0.7720 0.7740 0.7740 4.5333 4.5333 4.5609 4.5609 5.8973 5.8973 5.9389 5.9389 6.5686 6.5686 6.5873 6.5873 6.7409 6.7409 6.7816 6.7816 7.6154 7.6154 7.6630 7.6630 7.8734 7.8734 7.8807 7.8807 8.6728 8.6728 8.6849 8.6849 9.2066 9.2066 9.2335 9.2335 10.6053 10.6053 10.7153 10.7153 k = 0.2700-0.0000 0.2373 ( 4456 PWs) bands (ev): -1.7296 -1.7296 -1.7295 -1.7295 0.8212 0.8212 0.8235 0.8235 4.5810 4.5810 4.6187 4.6187 5.8008 5.8008 5.8603 5.8603 6.5536 6.5536 6.5849 6.5849 6.7393 6.7393 6.7753 6.7753 7.5885 7.5885 7.6362 7.6362 7.8619 7.8619 7.8686 7.8686 8.6632 8.6632 8.6738 8.6738 9.1788 9.1788 9.2022 9.2022 10.4819 10.4819 10.5790 10.5790 k = 0.2800-0.0000 0.2373 ( 4460 PWs) bands (ev): -1.6554 -1.6554 -1.6552 -1.6552 0.8705 0.8705 0.8732 0.8732 4.6237 4.6237 4.6752 4.6752 5.6892 5.6892 5.7695 5.7695 6.5492 6.5492 6.5967 6.5967 6.7433 6.7433 6.7706 6.7706 7.5568 7.5568 7.6053 7.6053 7.8526 7.8526 7.8586 7.8586 8.6521 8.6521 8.6615 8.6615 9.1553 9.1553 9.1754 9.1754 10.3629 10.3629 10.4504 10.4504 k = 0.2900-0.0000 0.2373 ( 4466 PWs) bands (ev): -1.5790 -1.5790 -1.5788 -1.5788 0.9197 0.9197 0.9229 0.9229 4.6578 4.6578 4.7286 4.7286 5.5710 5.5710 5.6768 5.6768 6.5467 6.5467 6.6155 6.6155 6.7547 6.7547 6.7676 6.7676 7.5215 7.5215 7.5710 7.5710 7.8451 7.8451 7.8501 7.8501 8.6396 8.6396 8.6478 8.6478 9.1352 9.1352 9.1522 9.1522 10.2501 10.2501 10.3303 10.3303 k = 0.3000-0.0000 0.2373 ( 4468 PWs) bands (ev): -1.5005 -1.5005 -1.5003 -1.5003 0.9684 0.9684 0.9721 0.9721 4.6787 4.6787 4.7752 4.7752 5.4549 5.4549 5.5922 5.5922 6.5406 6.5406 6.6352 6.6352 6.7670 6.7670 6.7740 6.7740 7.4841 7.4841 7.5343 7.5343 7.8392 7.8392 7.8430 7.8430 8.6257 8.6257 8.6329 8.6329 9.1182 9.1182 9.1322 9.1322 10.1449 10.1449 10.2191 10.2191 k = 0.3100-0.0000 0.2373 ( 4466 PWs) bands (ev): -1.4202 -1.4202 -1.4199 -1.4199 1.0162 1.0162 1.0205 1.0205 4.6805 4.6805 4.8076 4.8076 5.3511 5.3511 5.5249 5.5249 6.5286 6.5286 6.6509 6.6509 6.7692 6.7692 6.7993 6.7993 7.4469 7.4469 7.4969 7.4969 7.8345 7.8345 7.8370 7.8370 8.6103 8.6103 8.6167 8.6167 9.1037 9.1037 9.1149 9.1149 10.0477 10.0477 10.1171 10.1171 k = 0.3200-0.0000 0.2373 ( 4458 PWs) bands (ev): -1.3380 -1.3380 -1.3377 -1.3377 1.0626 1.0626 1.0677 1.0677 4.6579 4.6579 4.8125 4.8125 5.2753 5.2753 5.4826 5.4826 6.5103 6.5103 6.6593 6.6593 6.7734 6.7734 6.8278 6.8278 7.4131 7.4131 7.4606 7.4606 7.8309 7.8309 7.8318 7.8318 8.5934 8.5934 8.5992 8.5992 9.0913 9.0913 9.0999 9.0999 9.9588 9.9588 10.0242 10.0242 k = 0.3300-0.0000 0.2373 ( 4454 PWs) bands (ev): -1.2542 -1.2542 -1.2538 -1.2538 1.1070 1.1070 1.1129 1.1129 4.6097 4.6097 4.7758 4.7758 5.2429 5.2429 5.4680 5.4680 6.4862 6.4862 6.6592 6.6592 6.7770 6.7770 6.8558 6.8558 7.3862 7.3862 7.4281 7.4281 7.8271 7.8271 7.8280 7.8280 8.5750 8.5750 8.5803 8.5803 9.0805 9.0805 9.0865 9.0865 9.8783 9.8783 9.9403 9.9403 k = 0.3400-0.0000 0.2373 ( 4454 PWs) bands (ev): -1.1690 -1.1690 -1.1685 -1.1685 1.1490 1.1490 1.1558 1.1558 4.5402 4.5402 4.7007 4.7007 5.2520 5.2520 5.4783 5.4783 6.4566 6.4566 6.6506 6.6506 6.7767 6.7767 6.8798 6.8798 7.3695 7.3695 7.4023 7.4023 7.8231 7.8231 7.8259 7.8259 8.5552 8.5552 8.5601 8.5601 9.0711 9.0711 9.0746 9.0746 9.8059 9.8059 9.8650 9.8650 k = 0.3500-0.0000 0.2373 ( 4462 PWs) bands (ev): -1.0826 -1.0826 -1.0820 -1.0820 1.1877 1.1877 1.1956 1.1956 4.4563 4.4563 4.6042 4.6042 5.2862 5.2862 5.5074 5.5074 6.4217 6.4217 6.6327 6.6327 6.7712 6.7712 6.8965 6.8965 7.3652 7.3652 7.3862 7.3862 7.8197 7.8197 7.8245 7.8245 8.5339 8.5339 8.5387 8.5387 9.0627 9.0627 9.0639 9.0639 9.7412 9.7412 9.7979 9.7979 k = 0.3600-0.0000 0.2373 ( 4458 PWs) bands (ev): -0.9952 -0.9952 -0.9945 -0.9945 1.2226 1.2226 1.2316 1.2316 4.3648 4.3648 4.5002 4.5002 5.3323 5.3323 5.5494 5.5494 6.3820 6.3820 6.6045 6.6045 6.7624 6.7624 6.9039 6.9039 7.3730 7.3730 7.3820 7.3820 7.8169 7.8169 7.8239 7.8239 8.5113 8.5113 8.5161 8.5161 9.0541 9.0541 9.0552 9.0552 9.6839 9.6839 9.7385 9.7385 k = 0.3700-0.0000 0.2373 ( 4458 PWs) bands (ev): -0.9072 -0.9072 -0.9064 -0.9064 1.2530 1.2530 1.2631 1.2631 4.2711 4.2711 4.3960 4.3960 5.3833 5.3833 5.5994 5.5994 6.3381 6.3381 6.5657 6.5657 6.7533 6.7533 6.9016 6.9016 7.3898 7.3898 7.3909 7.3909 7.8151 7.8151 7.8243 7.8243 8.4876 8.4876 8.4924 8.4924 9.0448 9.0448 9.0482 9.0482 9.6333 9.6333 9.6863 9.6863 k = 0.3800-0.0000 0.2373 ( 4458 PWs) bands (ev): -0.8190 -0.8190 -0.8180 -0.8180 1.2780 1.2780 1.2895 1.2895 4.1790 4.1790 4.2959 4.2959 5.4353 5.4353 5.6537 5.6537 6.2912 6.2912 6.5182 6.5182 6.7457 6.7457 6.8910 6.8910 7.4076 7.4076 7.4156 7.4156 7.8145 7.8145 7.8260 7.8260 8.4629 8.4629 8.4680 8.4680 9.0359 9.0359 9.0415 9.0415 9.5890 9.5890 9.6405 9.6405 k = 0.3900-0.0000 0.2373 ( 4430 PWs) bands (ev): -0.7310 -0.7310 -0.7298 -0.7298 1.2971 1.2971 1.3099 1.3099 4.0914 4.0914 4.2023 4.2023 5.4856 5.4856 5.7092 5.7092 6.2430 6.2430 6.4656 6.4656 6.7401 6.7401 6.8749 6.8749 7.4319 7.4319 7.4439 7.4439 7.8156 7.8156 7.8297 7.8297 8.4375 8.4375 8.4430 8.4430 9.0274 9.0274 9.0353 9.0353 9.5503 9.5503 9.6008 9.6008 k = 0.4000-0.0000 0.2373 ( 4422 PWs) bands (ev): -0.6438 -0.6438 -0.6424 -0.6424 1.3098 1.3098 1.3240 1.3240 4.0102 4.0102 4.1167 4.1167 5.5323 5.5323 5.7627 5.7627 6.1963 6.1963 6.4114 6.4114 6.7363 6.7363 6.8552 6.8552 7.4594 7.4594 7.4729 7.4729 7.8189 7.8189 7.8356 7.8356 8.4116 8.4116 8.4177 8.4177 9.0189 9.0189 9.0290 9.0290 9.5167 9.5167 9.5664 9.5665 k = 0.4100-0.0000 0.2373 ( 4422 PWs) bands (ev): -0.5580 -0.5580 -0.5564 -0.5564 1.3157 1.3157 1.3314 1.3314 3.9369 3.9369 4.0402 4.0402 5.5734 5.5734 5.8094 5.8094 6.1560 6.1560 6.3594 6.3594 6.7341 6.7341 6.8338 6.8338 7.4868 7.4868 7.5002 7.5002 7.8251 7.8251 7.8443 7.8443 8.3856 8.3856 8.3925 8.3925 9.0105 9.0105 9.0227 9.0227 9.4877 9.4877 9.5369 9.5369 k = 0.4200-0.0000 0.2373 ( 4436 PWs) bands (ev): -0.4747 -0.4747 -0.4727 -0.4727 1.3149 1.3149 1.3319 1.3319 3.8723 3.8723 3.9733 3.9733 5.6073 5.6073 5.8420 5.8420 6.1298 6.1298 6.3126 6.3126 6.7332 6.7332 6.8115 6.8115 7.5117 7.5117 7.5238 7.5238 7.8348 7.8348 7.8562 7.8562 8.3598 8.3598 8.3679 8.3679 9.0021 9.0021 9.0165 9.0165 9.4629 9.4629 9.5118 9.5118 k = 0.4300-0.0000 0.2373 ( 4432 PWs) bands (ev): -0.3947 -0.3947 -0.3924 -0.3924 1.3078 1.3078 1.3262 1.3262 3.8170 3.8170 3.9165 3.9165 5.6325 5.6325 5.8524 5.8524 6.1264 6.1264 6.2737 6.2737 6.7335 6.7335 6.7889 6.7889 7.5324 7.5324 7.5427 7.5427 7.8482 7.8482 7.8713 7.8713 8.3347 8.3347 8.3444 8.3444 8.9939 8.9939 9.0102 9.0102 9.4419 9.4419 9.4906 9.4906 k = 0.4400-0.0000 0.2373 ( 4430 PWs) bands (ev): -0.3194 -0.3194 -0.3168 -0.3168 1.2953 1.2953 1.3150 1.3150 3.7709 3.7709 3.8694 3.8694 5.6482 5.6482 5.8404 5.8404 6.1463 6.1463 6.2443 6.2443 6.7346 6.7346 6.7664 6.7664 7.5481 7.5481 7.5565 7.5565 7.8651 7.8651 7.8889 7.8889 8.3107 8.3107 8.3225 8.3225 8.9860 8.9860 9.0041 9.0041 9.4244 9.4244 9.4730 9.4730 k = 0.4500-0.0000 0.2373 ( 4434 PWs) bands (ev): -0.2504 -0.2504 -0.2473 -0.2473 1.2788 1.2788 1.2997 1.2997 3.7338 3.7338 3.8316 3.8316 5.6549 5.6549 5.8157 5.8157 6.1801 6.1801 6.2246 6.2246 6.7364 6.7364 6.7442 6.7442 7.5589 7.5589 7.5657 7.5657 7.8843 7.8843 7.9076 7.9076 8.2883 8.2883 8.3026 8.3026 8.9785 8.9785 8.9982 8.9982 9.4100 9.4100 9.4587 9.4587 k = 0.4600-0.0000 0.2373 ( 4430 PWs) bands (ev): -0.1895 -0.1895 -0.1859 -0.1859 1.2603 1.2603 1.2822 1.2822 3.7050 3.7050 3.8023 3.8023 5.6546 5.6546 5.7878 5.7878 6.2133 6.2133 6.2182 6.2182 6.7228 6.7228 6.7386 6.7386 7.5657 7.5657 7.5711 7.5711 7.9041 7.9041 7.9261 7.9261 8.2681 8.2681 8.2854 8.2854 8.9718 8.9718 8.9929 8.9929 9.3986 9.3986 9.4473 9.4473 k = 0.4700-0.0000 0.2373 ( 4428 PWs) bands (ev): -0.1388 -0.1388 -0.1348 -0.1348 1.2421 1.2421 1.2649 1.2649 3.6837 3.6837 3.7808 3.7808 5.6501 5.6501 5.7623 5.7623 6.2081 6.2081 6.2545 6.2545 6.7031 6.7031 6.7409 6.7409 7.5696 7.5696 7.5739 7.5739 7.9226 7.9226 7.9425 7.9425 8.2509 8.2509 8.2713 8.2713 8.9662 8.9662 8.9883 8.9883 9.3898 9.3898 9.4387 9.4387 k = 0.4800-0.0000 0.2373 ( 4428 PWs) bands (ev): -0.1005 -0.1005 -0.0961 -0.0961 1.2267 1.2267 1.2501 1.2501 3.6693 3.6693 3.7662 3.7662 5.6444 5.6444 5.7425 5.7425 6.2066 6.2066 6.2844 6.2844 6.6865 6.6865 6.7428 6.7428 7.5715 7.5715 7.5750 7.5750 7.9379 7.9379 7.9555 7.9555 8.2374 8.2374 8.2608 8.2608 8.9619 8.9619 8.9848 8.9848 9.3837 9.3837 9.4327 9.4327 k = 0.4900-0.0000 0.2373 ( 4436 PWs) bands (ev): -0.0766 -0.0766 -0.0719 -0.0719 1.2163 1.2163 1.2402 1.2402 3.6609 3.6609 3.7578 3.7578 5.6400 5.6400 5.7299 5.7299 6.2066 6.2066 6.3044 6.3044 6.6752 6.6752 6.7441 6.7441 7.5723 7.5723 7.5753 7.5753 7.9480 7.9480 7.9638 7.9638 8.2288 8.2288 8.2543 8.2543 8.9591 8.9591 8.9825 8.9825 9.3801 9.3801 9.4292 9.4292 k = 0.5000-0.0000 0.2373 ( 4440 PWs) bands (ev): -0.0684 -0.0684 -0.0636 -0.0636 1.2126 1.2126 1.2367 1.2367 3.6582 3.6582 3.7550 3.7550 5.6383 5.6383 5.7256 5.7256 6.2067 6.2067 6.3114 6.3114 6.6711 6.6711 6.7445 6.7445 7.5725 7.5725 7.5754 7.5754 7.9515 7.9515 7.9667 7.9667 8.2258 8.2258 8.2521 8.2521 8.9582 8.9582 8.9817 8.9817 9.3789 9.3789 9.4280 9.4280 k = 0.5000-0.0000 0.2373 ( 4440 PWs) bands (ev): -0.0684 -0.0684 -0.0636 -0.0636 1.2126 1.2126 1.2367 1.2367 3.6582 3.6582 3.7550 3.7550 5.6383 5.6383 5.7256 5.7256 6.2067 6.2067 6.3114 6.3114 6.6711 6.6711 6.7445 6.7445 7.5725 7.5725 7.5754 7.5754 7.9515 7.9515 7.9667 7.9667 8.2258 8.2258 8.2521 8.2521 8.9582 8.9582 8.9817 8.9817 9.3789 9.3789 9.4280 9.4280 k = 0.5000 0.0102 0.2373 ( 4432 PWs) bands (ev): -0.0680 -0.0680 -0.0632 -0.0632 1.2131 1.2131 1.2371 1.2371 3.6570 3.6570 3.7535 3.7535 5.6311 5.6311 5.7150 5.7150 6.2080 6.2080 6.3163 6.3163 6.6735 6.6735 6.7466 6.7466 7.5750 7.5750 7.5793 7.5793 7.9523 7.9523 7.9673 7.9673 8.2251 8.2251 8.2507 8.2507 8.9586 8.9586 8.9819 8.9819 9.3835 9.3835 9.4321 9.4321 k = 0.5000 0.0203 0.2373 ( 4428 PWs) bands (ev): -0.0667 -0.0667 -0.0619 -0.0619 1.2146 1.2146 1.2386 1.2386 3.6534 3.6534 3.7489 3.7489 5.6097 5.6097 5.6846 5.6846 6.2121 6.2121 6.3298 6.3298 6.6806 6.6806 6.7524 6.7524 7.5822 7.5822 7.5908 7.5908 7.9546 7.9546 7.9693 7.9693 8.2234 8.2234 8.2468 8.2468 8.9595 8.9595 8.9825 8.9825 9.3974 9.3974 9.4445 9.4445 k = 0.5000 0.0305 0.2373 ( 4432 PWs) bands (ev): -0.0646 -0.0646 -0.0598 -0.0598 1.2171 1.2171 1.2409 1.2409 3.6476 3.6476 3.7414 3.7414 5.5751 5.5751 5.6377 5.6377 6.2192 6.2192 6.3493 6.3493 6.6917 6.6917 6.7613 6.7613 7.5935 7.5935 7.6088 7.6088 7.9583 7.9583 7.9725 7.9725 8.2212 8.2212 8.2409 8.2409 8.9611 8.9611 8.9834 8.9834 9.4201 9.4201 9.4649 9.4649 k = 0.5000 0.0406 0.2373 ( 4432 PWs) bands (ev): -0.0616 -0.0616 -0.0569 -0.0569 1.2205 1.2205 1.2442 1.2442 3.6398 3.6398 3.7313 3.7313 5.5285 5.5285 5.5779 5.5779 6.2297 6.2297 6.3723 6.3723 6.7061 6.7061 6.7724 6.7724 7.6081 7.6081 7.6321 7.6321 7.9634 7.9634 7.9768 7.9768 8.2194 8.2194 8.2340 8.2340 8.9630 8.9630 8.9846 8.9846 9.4513 9.4513 9.4931 9.4931 k = 0.5000 0.0508 0.2373 ( 4440 PWs) bands (ev): -0.0578 -0.0578 -0.0531 -0.0531 1.2248 1.2248 1.2482 1.2482 3.6302 3.6302 3.7189 3.7189 5.4716 5.4716 5.5086 5.5086 6.2435 6.2435 6.3968 6.3968 6.7230 6.7230 6.7849 6.7849 7.6248 7.6248 7.6586 7.6586 7.9695 7.9695 7.9820 7.9820 8.2191 8.2191 8.2276 8.2276 8.9653 8.9653 8.9861 8.9861 9.4905 9.4905 9.5288 9.5288 k = 0.5000 0.0609 0.2373 ( 4452 PWs) bands (ev): -0.0533 -0.0533 -0.0487 -0.0487 1.2299 1.2299 1.2531 1.2531 3.6193 3.6193 3.7047 3.7047 5.4062 5.4062 5.4323 5.4323 6.2604 6.2604 6.4215 6.4215 6.7413 6.7413 6.7981 6.7981 7.6421 7.6421 7.6862 7.6862 7.9764 7.9764 7.9879 7.9879 8.2216 8.2216 8.2234 8.2234 8.9679 8.9679 8.9880 8.9880 9.5373 9.5373 9.5715 9.5715 k = 0.5000 0.0711 0.2373 ( 4448 PWs) bands (ev): -0.0481 -0.0481 -0.0435 -0.0435 1.2358 1.2358 1.2586 1.2586 3.6073 3.6073 3.6891 3.6891 5.3339 5.3339 5.3510 5.3510 6.2802 6.2802 6.4460 6.4460 6.7602 6.7602 6.8116 6.8116 7.6588 7.6588 7.7126 7.7126 7.9838 7.9838 7.9941 7.9941 8.2231 8.2231 8.2283 8.2283 8.9707 8.9707 8.9901 8.9901 9.5911 9.5911 9.6210 9.6210 k = 0.5000 0.0812 0.2373 ( 4464 PWs) bands (ev): -0.0422 -0.0422 -0.0377 -0.0377 1.2423 1.2423 1.2647 1.2647 3.5947 3.5947 3.6727 3.6727 5.2564 5.2564 5.2661 5.2661 6.3023 6.3023 6.4699 6.4699 6.7791 6.7791 6.8249 6.8249 7.6736 7.6736 7.7357 7.7357 7.9912 7.9912 8.0001 8.0001 8.2285 8.2285 8.2402 8.2402 8.9736 8.9736 8.9924 8.9924 9.6514 9.6514 9.6766 9.6766 k = 0.5000 0.0914 0.2373 ( 4460 PWs) bands (ev): -0.0357 -0.0357 -0.0313 -0.0313 1.2494 1.2494 1.2713 1.2713 3.5820 3.5820 3.6559 3.6559 5.1749 5.1749 5.1788 5.1788 6.3264 6.3264 6.4932 6.4932 6.7973 6.7973 6.8379 6.8379 7.6856 7.6856 7.7540 7.7540 7.9986 7.9986 8.0058 8.0058 8.2409 8.2409 8.2580 8.2580 8.9766 8.9766 8.9951 8.9951 9.7179 9.7179 9.7382 9.7382 k = 0.5000 0.1015 0.2373 ( 4448 PWs) bands (ev): -0.0286 -0.0286 -0.0243 -0.0243 1.2569 1.2569 1.2783 1.2783 3.5697 3.5697 3.6393 3.6393 5.0901 5.0901 5.0907 5.0907 6.3517 6.3517 6.5159 6.5159 6.8146 6.8146 6.8505 6.8505 7.6944 7.6944 7.7664 7.7664 8.0057 8.0057 8.0111 8.0111 8.2606 8.2606 8.2816 8.2816 8.9798 8.9798 8.9979 8.9979 9.7900 9.7900 9.8052 9.8052 k = 0.5000 0.1117 0.2373 ( 4452 PWs) bands (ev): -0.0211 -0.0211 -0.0169 -0.0169 1.2647 1.2647 1.2855 1.2855 3.5582 3.5582 3.6235 3.6235 5.0007 5.0007 5.0046 5.0046 6.3780 6.3780 6.5377 6.5377 6.8305 6.8305 6.8625 6.8625 7.7000 7.7000 7.7730 7.7730 8.0124 8.0124 8.0161 8.0161 8.2872 8.2872 8.3108 8.3108 8.9829 8.9829 9.0009 9.0009 9.8672 9.8672 9.8771 9.8771 k = 0.5000 0.1218 0.2373 ( 4452 PWs) bands (ev): -0.0133 -0.0133 -0.0092 -0.0092 1.2728 1.2728 1.2928 1.2928 3.5481 3.5481 3.6090 3.6090 4.9113 4.9113 4.9175 4.9175 6.4046 6.4046 6.5588 6.5588 6.8448 6.8448 6.8738 6.8738 7.7029 7.7029 7.7745 7.7745 8.0187 8.0187 8.0209 8.0209 8.3194 8.3194 8.3446 8.3446 8.9861 8.9861 9.0039 9.0039 9.9488 9.9488 9.9533 9.9533 k = 0.5000 0.1320 0.2373 ( 4456 PWs) bands (ev): -0.0052 -0.0052 -0.0012 -0.0012 1.2809 1.2809 1.3002 1.3002 3.5397 3.5397 3.5963 3.5963 4.8223 4.8223 4.8302 4.8302 6.4314 6.4314 6.5791 6.5791 6.8573 6.8573 6.8843 6.8843 7.7037 7.7037 7.7720 7.7720 8.0246 8.0246 8.0255 8.0255 8.3559 8.3559 8.3822 8.3822 8.9892 8.9892 9.0070 9.0070 10.0332 10.0332 10.0342 10.0342 k = 0.5000 0.1421 0.2373 ( 4452 PWs) bands (ev): 0.0032 0.0032 0.0069 0.0069 1.2890 1.2890 1.3074 1.3074 3.5335 3.5335 3.5858 3.5858 4.7343 4.7343 4.7432 4.7432 6.4579 6.4579 6.5986 6.5986 6.8680 6.8680 6.8937 6.8937 7.7031 7.7031 7.7669 7.7669 8.0299 8.0299 8.0299 8.0299 8.3955 8.3955 8.4226 8.4226 8.9923 8.9923 9.0102 9.0102 10.1160 10.1160 10.1226 10.1226 k = 0.5000 0.1523 0.2373 ( 4436 PWs) bands (ev): 0.0115 0.0115 0.0151 0.0151 1.2969 1.2969 1.3144 1.3144 3.5300 3.5300 3.5781 3.5781 4.6476 4.6476 4.6571 4.6571 6.4841 6.4841 6.6172 6.6172 6.8767 6.8767 6.9021 6.9021 7.7019 7.7019 7.7603 7.7603 8.0339 8.0339 8.0345 8.0345 8.4372 8.4372 8.4651 8.4651 8.9954 8.9954 9.0133 9.0133 10.2005 10.2005 10.2127 10.2127 k = 0.5000 0.1624 0.2373 ( 4432 PWs) bands (ev): 0.0199 0.0199 0.0232 0.0232 1.3046 1.3046 1.3210 1.3210 3.5295 3.5295 3.5735 3.5735 4.5627 4.5627 4.5723 4.5723 6.5095 6.5095 6.6349 6.6349 6.8834 6.8834 6.9091 6.9091 7.7004 7.7004 7.7531 7.7531 8.0372 8.0372 8.0383 8.0383 8.4800 8.4800 8.5087 8.5087 8.9983 8.9983 9.0163 9.0163 10.2855 10.2855 10.3033 10.3033 k = 0.5000 0.1726 0.2373 ( 4424 PWs) bands (ev): 0.0280 0.0280 0.0312 0.0312 1.3119 1.3119 1.3271 1.3271 3.5324 3.5324 3.5724 3.5724 4.4799 4.4799 4.4892 4.4892 6.5341 6.5341 6.6515 6.6515 6.8882 6.8882 6.9147 6.9147 7.6991 7.6991 7.7458 7.7458 8.0400 8.0400 8.0414 8.0414 8.5232 8.5232 8.5527 8.5527 9.0011 9.0011 9.0192 9.0192 10.3693 10.3693 10.3925 10.3925 k = 0.5000 0.1827 0.2373 ( 4428 PWs) bands (ev): 0.0359 0.0359 0.0388 0.0388 1.3187 1.3187 1.3327 1.3327 3.5390 3.5390 3.5750 3.5750 4.3996 4.3996 4.4082 4.4082 6.5577 6.5577 6.6669 6.6669 6.8912 6.8912 6.9187 6.9187 7.6982 7.6982 7.7391 7.7391 8.0420 8.0420 8.0435 8.0435 8.5662 8.5662 8.5963 8.5963 9.0038 9.0038 9.0218 9.0218 10.4494 10.4494 10.4778 10.4778 k = 0.5000 0.1929 0.2373 ( 4436 PWs) bands (ev): 0.0434 0.0434 0.0460 0.0460 1.3250 1.3250 1.3377 1.3377 3.5495 3.5495 3.5817 3.5817 4.3219 4.3219 4.3297 4.3297 6.5803 6.5803 6.6811 6.6811 6.8926 6.8926 6.9211 6.9211 7.6980 7.6980 7.7331 7.7331 8.0433 8.0433 8.0449 8.0449 8.6082 8.6082 8.6386 8.6386 9.0064 9.0064 9.0243 9.0243 10.5228 10.5228 10.5557 10.5557 k = 0.5000 0.2030 0.2373 ( 4444 PWs) bands (ev): 0.0503 0.0503 0.0527 0.0527 1.3308 1.3308 1.3420 1.3420 3.5640 3.5640 3.5925 3.5925 4.2474 4.2474 4.2540 4.2540 6.6018 6.6018 6.6937 6.6937 6.8928 6.8928 6.9219 6.9219 7.6984 7.6984 7.7280 7.7280 8.0440 8.0440 8.0455 8.0455 8.6487 8.6487 8.6788 8.6788 9.0088 9.0088 9.0264 9.0264 10.5857 10.5857 10.6217 10.6217 k = 0.5000 0.2132 0.2373 ( 4440 PWs) bands (ev): 0.0567 0.0567 0.0587 0.0587 1.3359 1.3359 1.3457 1.3457 3.5827 3.5827 3.6076 3.6076 4.1762 4.1762 4.1816 4.1816 6.6222 6.6222 6.7045 6.7045 6.8922 6.8922 6.9212 6.9212 7.6993 7.6993 7.7239 7.7239 8.0442 8.0442 8.0457 8.0457 8.6868 8.6868 8.7159 8.7159 9.0112 9.0112 9.0283 9.0283 10.6344 10.6344 10.6711 10.6711 k = 0.5000 0.2233 0.2373 ( 4444 PWs) bands (ev): 0.0623 0.0623 0.0640 0.0640 1.3404 1.3404 1.3486 1.3486 3.6054 3.6054 3.6269 3.6269 4.1089 4.1089 4.1127 4.1127 6.6413 6.6413 6.7131 6.7131 6.8914 6.8914 6.9192 6.9192 7.7007 7.7007 7.7205 7.7205 8.0440 8.0440 8.0454 8.0454 8.7217 8.7217 8.7489 8.7489 9.0137 9.0137 9.0297 9.0297 10.6669 10.6669 10.7012 10.7012 k = 0.5000 0.2335 0.2373 ( 4448 PWs) bands (ev): 0.0670 0.0670 0.0684 0.0684 1.3442 1.3442 1.3508 1.3508 3.6321 3.6321 3.6502 3.6502 4.0458 4.0458 4.0480 4.0480 6.6590 6.6590 6.7191 6.7191 6.8907 6.8907 6.9160 6.9160 7.7025 7.7025 7.7178 7.7178 8.0436 8.0436 8.0448 8.0448 8.7526 8.7526 8.7768 8.7768 9.0163 9.0163 9.0306 9.0306 10.6846 10.6846 10.7139 10.7139 k = 0.5000 0.2436 0.2373 ( 4452 PWs) bands (ev): 0.0708 0.0708 0.0719 0.0719 1.3473 1.3473 1.3524 1.3524 3.6621 3.6621 3.6768 3.6768 3.9879 3.9879 3.9884 3.9884 6.6750 6.6750 6.7220 6.7220 6.8909 6.8909 6.9119 6.9119 7.7044 7.7044 7.7156 7.7156 8.0432 8.0432 8.0441 8.0441 8.7787 8.7787 8.7986 8.7986 9.0190 9.0190 9.0308 9.0308 10.6920 10.6920 10.7147 10.7147 k = 0.5000 0.2538 0.2373 ( 4460 PWs) bands (ev): 0.0737 0.0737 0.0744 0.0744 1.3498 1.3498 1.3532 1.3532 3.6939 3.6939 3.7051 3.7051 3.9357 3.9357 3.9366 3.9366 6.6893 6.6893 6.7217 6.7217 6.8921 6.8921 6.9074 6.9074 7.7063 7.7063 7.7136 7.7136 8.0428 8.0428 8.0434 8.0434 8.7992 8.7992 8.8134 8.8134 9.0218 9.0218 9.0303 9.0303 10.6942 10.6942 10.7096 10.7096 k = 0.5000 0.2639 0.2373 ( 4452 PWs) bands (ev): 0.0755 0.0755 0.0759 0.0759 1.3517 1.3517 1.3534 1.3534 3.7235 3.7235 3.7302 3.7302 3.8948 3.8948 3.8964 3.8964 6.7015 6.7015 6.7180 6.7180 6.8947 6.8947 6.9027 6.9027 7.7082 7.7082 7.7119 7.7119 8.0426 8.0426 8.0429 8.0429 8.8135 8.8135 8.8209 8.8209 9.0246 9.0246 9.0291 9.0291 10.6954 10.6954 10.7032 10.7032 k = 0.5000 0.2741 0.2373 ( 4464 PWs) bands (ev): 0.0762 0.0762 0.0762 0.0762 1.3529 1.3529 1.3529 1.3529 3.7396 3.7396 3.7396 3.7396 3.8785 3.8785 3.8785 3.8785 6.7111 6.7111 6.7111 6.7111 6.8983 6.8983 6.8983 6.8983 7.7101 7.7101 7.7101 7.7101 8.0426 8.0426 8.0426 8.0426 8.8208 8.8208 8.8208 8.8208 9.0271 9.0271 9.0271 9.0271 10.6981 10.6981 10.6982 10.6982 k = 0.5000 0.2741 0.2373 ( 4464 PWs) bands (ev): 0.0762 0.0762 0.0762 0.0762 1.3529 1.3529 1.3529 1.3529 3.7396 3.7396 3.7396 3.7396 3.8785 3.8785 3.8785 3.8785 6.7111 6.7111 6.7111 6.7111 6.8983 6.8983 6.8983 6.8983 7.7101 7.7101 7.7101 7.7101 8.0426 8.0426 8.0426 8.0426 8.8208 8.8208 8.8208 8.8208 9.0271 9.0271 9.0271 9.0271 10.6981 10.6981 10.6982 10.6982 k = 0.4900 0.2741 0.2373 ( 4456 PWs) bands (ev): 0.0718 0.0718 0.0718 0.0718 1.3456 1.3456 1.3456 1.3456 3.7459 3.7459 3.7459 3.7459 3.8876 3.8876 3.8876 3.8876 6.7119 6.7119 6.7119 6.7119 6.8964 6.8964 6.8964 6.8964 7.7097 7.7097 7.7097 7.7097 8.0422 8.0422 8.0422 8.0422 8.8191 8.8191 8.8191 8.8191 9.0267 9.0267 9.0267 9.0267 10.6908 10.6908 10.6908 10.6908 k = 0.4800 0.2741 0.2373 ( 4448 PWs) bands (ev): 0.0588 0.0588 0.0588 0.0588 1.3242 1.3242 1.3242 1.3242 3.7648 3.7648 3.7648 3.7648 3.9145 3.9145 3.9145 3.9145 6.7139 6.7139 6.7139 6.7139 6.8909 6.8909 6.8909 6.8909 7.7085 7.7085 7.7085 7.7085 8.0411 8.0411 8.0411 8.0411 8.8138 8.8138 8.8138 8.8138 9.0254 9.0254 9.0254 9.0254 10.6701 10.6701 10.6701 10.6701 k = 0.4700 0.2741 0.2373 ( 4456 PWs) bands (ev): 0.0374 0.0374 0.0374 0.0374 1.2896 1.2896 1.2896 1.2896 3.7960 3.7960 3.7960 3.7960 3.9583 3.9583 3.9583 3.9583 6.7171 6.7171 6.7171 6.7171 6.8820 6.8820 6.8820 6.8820 7.7065 7.7065 7.7065 7.7065 8.0390 8.0390 8.0390 8.0390 8.8053 8.8053 8.8053 8.8053 9.0232 9.0232 9.0232 9.0232 10.6390 10.6390 10.6390 10.6390 k = 0.4600 0.2741 0.2373 ( 4456 PWs) bands (ev): 0.0082 0.0082 0.0082 0.0082 1.2432 1.2432 1.2432 1.2432 3.8387 3.8387 3.8387 3.8387 4.0174 4.0174 4.0174 4.0174 6.7214 6.7214 6.7214 6.7214 6.8701 6.8701 6.8701 6.8701 7.7038 7.7038 7.7038 7.7038 8.0362 8.0362 8.0362 8.0362 8.7936 8.7936 8.7936 8.7936 9.0204 9.0204 9.0204 9.0204 10.6008 10.6008 10.6008 10.6008 k = 0.4500 0.2741 0.2373 ( 4464 PWs) bands (ev): -0.0283 -0.0283 -0.0283 -0.0283 1.1866 1.1866 1.1866 1.1866 3.8924 3.8924 3.8924 3.8924 4.0901 4.0901 4.0901 4.0901 6.7262 6.7262 6.7262 6.7262 6.8559 6.8559 6.8559 6.8559 7.7001 7.7001 7.7001 7.7001 8.0324 8.0324 8.0324 8.0324 8.7791 8.7791 8.7791 8.7791 9.0170 9.0170 9.0170 9.0170 10.5585 10.5585 10.5585 10.5585 k = 0.4400 0.2741 0.2373 ( 4452 PWs) bands (ev): -0.0713 -0.0713 -0.0713 -0.0713 1.1215 1.1215 1.1215 1.1215 3.9560 3.9560 3.9560 3.9560 4.1744 4.1744 4.1744 4.1744 6.7309 6.7309 6.7309 6.7309 6.8408 6.8408 6.8408 6.8408 7.6955 7.6955 7.6955 7.6955 8.0277 8.0277 8.0277 8.0277 8.7623 8.7623 8.7623 8.7623 9.0133 9.0133 9.0133 9.0133 10.5145 10.5145 10.5145 10.5145 k = 0.4300 0.2741 0.2373 ( 4456 PWs) bands (ev): -0.1201 -0.1201 -0.1201 -0.1201 1.0495 1.0495 1.0495 1.0495 4.0287 4.0287 4.0287 4.0287 4.2684 4.2684 4.2684 4.2684 6.7331 6.7331 6.7331 6.7331 6.8274 6.8274 6.8274 6.8274 7.6900 7.6900 7.6900 7.6900 8.0221 8.0221 8.0221 8.0221 8.7434 8.7434 8.7434 8.7434 9.0094 9.0094 9.0094 9.0094 10.4701 10.4701 10.4701 10.4701 k = 0.4200 0.2741 0.2373 ( 4448 PWs) bands (ev): -0.1738 -0.1738 -0.1738 -0.1738 0.9722 0.9722 0.9722 0.9722 4.1094 4.1094 4.1094 4.1094 4.3703 4.3703 4.3703 4.3703 6.7294 6.7294 6.7294 6.7294 6.8198 6.8198 6.8198 6.8198 7.6835 7.6835 7.6835 7.6835 8.0154 8.0154 8.0154 8.0154 8.7232 8.7232 8.7232 8.7232 9.0055 9.0055 9.0055 9.0055 10.4266 10.4266 10.4266 10.4266 k = 0.4100 0.2741 0.2373 ( 4452 PWs) bands (ev): -0.2318 -0.2318 -0.2318 -0.2318 0.8908 0.8908 0.8908 0.8908 4.1970 4.1970 4.1970 4.1970 4.4781 4.4781 4.4781 4.4781 6.7173 6.7173 6.7173 6.7173 6.8213 6.8213 6.8213 6.8213 7.6759 7.6759 7.6759 7.6759 8.0077 8.0077 8.0077 8.0077 8.7019 8.7019 8.7019 8.7019 9.0020 9.0020 9.0020 9.0020 10.3847 10.3847 10.3847 10.3847 k = 0.4000 0.2741 0.2373 ( 4464 PWs) bands (ev): -0.2933 -0.2933 -0.2933 -0.2933 0.8064 0.8064 0.8064 0.8064 4.2905 4.2905 4.2905 4.2905 4.5902 4.5902 4.5902 4.5902 6.6982 6.6982 6.6982 6.6982 6.8312 6.8312 6.8312 6.8312 7.6672 7.6672 7.6672 7.6672 7.9989 7.9989 7.9989 7.9989 8.6802 8.6802 8.6802 8.6802 8.9990 8.9990 8.9990 8.9990 10.3447 10.3447 10.3447 10.3447 k = 0.3900 0.2741 0.2373 ( 4460 PWs) bands (ev): -0.3576 -0.3576 -0.3576 -0.3576 0.7200 0.7200 0.7200 0.7200 4.3888 4.3888 4.3888 4.3888 4.7048 4.7048 4.7048 4.7048 6.6757 6.6757 6.6757 6.6757 6.8472 6.8472 6.8472 6.8472 7.6576 7.6576 7.6576 7.6576 7.9891 7.9891 7.9891 7.9891 8.6587 8.6587 8.6587 8.6587 8.9970 8.9970 8.9970 8.9970 10.3070 10.3070 10.3070 10.3070 k = 0.3800 0.2741 0.2373 ( 4456 PWs) bands (ev): -0.4241 -0.4241 -0.4241 -0.4241 0.6324 0.6324 0.6324 0.6324 4.4907 4.4907 4.4907 4.4907 4.8201 4.8201 4.8201 4.8201 6.6526 6.6526 6.6526 6.6526 6.8676 6.8676 6.8676 6.8676 7.6470 7.6470 7.6470 7.6470 7.9782 7.9782 7.9782 7.9782 8.6377 8.6377 8.6377 8.6377 8.9963 8.9963 8.9963 8.9963 10.2718 10.2718 10.2718 10.2718 k = 0.3700 0.2741 0.2373 ( 4460 PWs) bands (ev): -0.4922 -0.4922 -0.4922 -0.4922 0.5441 0.5441 0.5441 0.5441 4.5952 4.5952 4.5952 4.5952 4.9342 4.9342 4.9342 4.9342 6.6308 6.6308 6.6308 6.6308 6.8917 6.8917 6.8917 6.8917 7.6357 7.6357 7.6357 7.6357 7.9663 7.9663 7.9663 7.9663 8.6178 8.6178 8.6178 8.6178 8.9971 8.9971 8.9971 8.9971 10.2391 10.2391 10.2391 10.2391 k = 0.3600 0.2741 0.2373 ( 4464 PWs) bands (ev): -0.5614 -0.5614 -0.5614 -0.5614 0.4557 0.4557 0.4557 0.4557 4.7012 4.7012 4.7012 4.7012 5.0449 5.0449 5.0449 5.0449 6.6124 6.6124 6.6124 6.6124 6.9193 6.9193 6.9193 6.9193 7.6238 7.6238 7.6238 7.6238 7.9533 7.9533 7.9533 7.9533 8.5993 8.5993 8.5993 8.5993 9.0001 9.0001 9.0001 9.0001 10.2091 10.2091 10.2091 10.2091 k = 0.3500 0.2741 0.2373 ( 4460 PWs) bands (ev): -0.6313 -0.6313 -0.6313 -0.6313 0.3677 0.3677 0.3677 0.3677 4.8073 4.8073 4.8073 4.8073 5.1497 5.1497 5.1497 5.1497 6.5994 6.5994 6.5994 6.5994 6.9502 6.9502 6.9502 6.9502 7.6118 7.6118 7.6118 7.6118 7.9394 7.9394 7.9394 7.9394 8.5826 8.5826 8.5826 8.5826 9.0056 9.0056 9.0056 9.0056 10.1818 10.1818 10.1818 10.1818 k = 0.3400 0.2741 0.2373 ( 4452 PWs) bands (ev): -0.7015 -0.7015 -0.7015 -0.7015 0.2804 0.2804 0.2804 0.2804 4.9125 4.9125 4.9125 4.9125 5.2459 5.2459 5.2459 5.2459 6.5941 6.5941 6.5941 6.5941 6.9843 6.9843 6.9843 6.9843 7.6002 7.6002 7.6002 7.6002 7.9246 7.9246 7.9246 7.9246 8.5679 8.5679 8.5679 8.5679 9.0141 9.0141 9.0141 9.0141 10.1571 10.1571 10.1571 10.1571 k = 0.3300 0.2741 0.2373 ( 4460 PWs) bands (ev): -0.7716 -0.7716 -0.7716 -0.7716 0.1942 0.1942 0.1942 0.1942 5.0154 5.0154 5.0154 5.0154 5.3307 5.3307 5.3307 5.3307 6.5987 6.5987 6.5987 6.5987 7.0212 7.0212 7.0212 7.0212 7.5897 7.5897 7.5897 7.5897 7.9091 7.9091 7.9091 7.9091 8.5554 8.5554 8.5554 8.5554 9.0261 9.0261 9.0261 9.0261 10.1353 10.1353 10.1353 10.1353 k = 0.3200 0.2741 0.2373 ( 4460 PWs) bands (ev): -0.8413 -0.8413 -0.8413 -0.8413 0.1093 0.1093 0.1093 0.1093 5.1149 5.1149 5.1149 5.1149 5.4015 5.4015 5.4015 5.4015 6.6151 6.6151 6.6151 6.6151 7.0604 7.0604 7.0604 7.0604 7.5814 7.5814 7.5814 7.5814 7.8930 7.8930 7.8930 7.8930 8.5453 8.5453 8.5453 8.5453 9.0423 9.0423 9.0423 9.0423 10.1162 10.1162 10.1162 10.1162 k = 0.3100 0.2741 0.2373 ( 4452 PWs) bands (ev): -0.9104 -0.9104 -0.9104 -0.9104 0.0260 0.0260 0.0260 0.0260 5.2095 5.2095 5.2095 5.2095 5.4567 5.4567 5.4567 5.4567 6.6446 6.6446 6.6446 6.6446 7.1009 7.1009 7.1009 7.1009 7.5769 7.5769 7.5769 7.5769 7.8765 7.8765 7.8765 7.8765 8.5375 8.5375 8.5375 8.5375 9.0632 9.0632 9.0632 9.0632 10.1002 10.1002 10.1002 10.1002 k = 0.3000 0.2741 0.2373 ( 4460 PWs) bands (ev): -0.9785 -0.9785 -0.9785 -0.9785 -0.0556 -0.0556 -0.0556 -0.0556 5.2976 5.2976 5.2976 5.2976 5.4963 5.4963 5.4963 5.4963 6.6867 6.6867 6.6867 6.6867 7.1410 7.1410 7.1410 7.1410 7.5779 7.5779 7.5779 7.5779 7.8597 7.8597 7.8597 7.8597 8.5321 8.5321 8.5321 8.5321 9.0894 9.0894 9.0894 9.0894 10.0875 10.0875 10.0875 10.0875 k = 0.2900 0.2741 0.2373 ( 4460 PWs) bands (ev): -1.0456 -1.0456 -1.0456 -1.0456 -0.1354 -0.1354 -0.1354 -0.1354 5.3767 5.3767 5.3767 5.3767 5.5227 5.5227 5.5227 5.5227 6.7399 6.7399 6.7399 6.7399 7.1784 7.1784 7.1784 7.1784 7.5867 7.5867 7.5867 7.5867 7.8431 7.8431 7.8431 7.8431 8.5289 8.5289 8.5289 8.5289 9.1213 9.1213 9.1213 9.1213 10.0784 10.0784 10.0784 10.0784 k = 0.2800 0.2741 0.2373 ( 4464 PWs) bands (ev): -1.1114 -1.1114 -1.1114 -1.1114 -0.2131 -0.2131 -0.2131 -0.2131 5.4404 5.4404 5.4404 5.4404 5.5436 5.5436 5.5436 5.5436 6.8010 6.8010 6.8010 6.8010 7.2108 7.2108 7.2108 7.2108 7.6056 7.6056 7.6056 7.6056 7.8272 7.8272 7.8272 7.8272 8.5279 8.5279 8.5279 8.5279 9.1591 9.1591 9.1591 9.1591 10.0735 10.0735 10.0735 10.0735 k = 0.2700 0.2741 0.2373 ( 4464 PWs) bands (ev): -1.1758 -1.1758 -1.1758 -1.1758 -0.2887 -0.2887 -0.2887 -0.2887 5.4739 5.4739 5.4739 5.4739 5.5757 5.5757 5.5757 5.5757 6.8666 6.8666 6.8666 6.8666 7.2362 7.2362 7.2362 7.2362 7.6351 7.6351 7.6351 7.6351 7.8130 7.8130 7.8130 7.8130 8.5290 8.5290 8.5290 8.5290 9.2029 9.2029 9.2029 9.2029 10.0737 10.0737 10.0737 10.0737 k = 0.2600 0.2741 0.2373 ( 4460 PWs) bands (ev): -1.2385 -1.2385 -1.2385 -1.2385 -0.3620 -0.3620 -0.3620 -0.3620 5.4755 5.4755 5.4755 5.4755 5.6229 5.6229 5.6229 5.6229 6.9332 6.9332 6.9332 6.9332 7.2546 7.2546 7.2546 7.2546 7.6725 7.6725 7.6725 7.6725 7.8029 7.8029 7.8029 7.8029 8.5319 8.5319 8.5319 8.5319 9.2522 9.2522 9.2522 9.2522 10.0802 10.0802 10.0802 10.0802 k = 0.2500 0.2741 0.2373 ( 4456 PWs) bands (ev): -1.2996 -1.2996 -1.2996 -1.2996 -0.4330 -0.4330 -0.4330 -0.4330 5.4609 5.4609 5.4609 5.4609 5.6719 5.6719 5.6719 5.6719 6.9975 6.9975 6.9975 6.9975 7.2674 7.2674 7.2674 7.2674 7.7079 7.7079 7.7079 7.7079 7.8050 7.8050 7.8050 7.8050 8.5363 8.5363 8.5363 8.5363 9.3057 9.3057 9.3057 9.3057 10.0947 10.0947 10.0947 10.0947 k = 0.2400 0.2741 0.2373 ( 4452 PWs) bands (ev): -1.3588 -1.3588 -1.3588 -1.3588 -0.5016 -0.5016 -0.5016 -0.5016 5.4381 5.4381 5.4381 5.4381 5.7166 5.7166 5.7166 5.7166 7.0570 7.0570 7.0570 7.0570 7.2767 7.2767 7.2767 7.2767 7.7236 7.7236 7.7236 7.7236 7.8337 7.8337 7.8337 7.8337 8.5419 8.5419 8.5419 8.5419 9.3615 9.3615 9.3615 9.3615 10.1195 10.1195 10.1195 10.1195 k = 0.2300 0.2741 0.2373 ( 4456 PWs) bands (ev): -1.4161 -1.4161 -1.4161 -1.4161 -0.5678 -0.5678 -0.5678 -0.5678 5.4105 5.4105 5.4105 5.4105 5.7553 5.7553 5.7553 5.7553 7.1098 7.1098 7.1098 7.1098 7.2846 7.2846 7.2846 7.2846 7.7217 7.7217 7.7217 7.7217 7.8840 7.8840 7.8840 7.8840 8.5481 8.5481 8.5481 8.5481 9.4166 9.4166 9.4166 9.4166 10.1573 10.1573 10.1573 10.1573 k = 0.2200 0.2741 0.2373 ( 4456 PWs) bands (ev): -1.4714 -1.4714 -1.4714 -1.4714 -0.6314 -0.6314 -0.6314 -0.6314 5.3800 5.3800 5.3800 5.3800 5.7878 5.7878 5.7878 5.7878 7.1543 7.1543 7.1543 7.1543 7.2927 7.2927 7.2927 7.2927 7.7146 7.7146 7.7146 7.7146 7.9409 7.9409 7.9409 7.9409 8.5545 8.5545 8.5545 8.5545 9.4681 9.4681 9.4681 9.4681 10.2110 10.2110 10.2110 10.2110 k = 0.2100 0.2741 0.2373 ( 4452 PWs) bands (ev): -1.5247 -1.5247 -1.5247 -1.5247 -0.6924 -0.6924 -0.6924 -0.6924 5.3476 5.3476 5.3476 5.3476 5.8145 5.8145 5.8145 5.8145 7.1903 7.1903 7.1903 7.1903 7.3020 7.3020 7.3020 7.3020 7.7070 7.7070 7.7070 7.7070 7.9974 7.9974 7.9974 7.9974 8.5603 8.5603 8.5603 8.5603 9.5129 9.5129 9.5129 9.5129 10.2828 10.2828 10.2828 10.2828 k = 0.2000 0.2741 0.2373 ( 4460 PWs) bands (ev): -1.5757 -1.5757 -1.5757 -1.5757 -0.7508 -0.7508 -0.7508 -0.7508 5.3143 5.3143 5.3143 5.3143 5.8356 5.8356 5.8356 5.8356 7.2184 7.2184 7.2184 7.2184 7.3122 7.3122 7.3122 7.3122 7.7004 7.7004 7.7004 7.7004 8.0503 8.0503 8.0503 8.0503 8.5648 8.5648 8.5648 8.5648 9.5496 9.5496 9.5496 9.5496 10.3732 10.3732 10.3732 10.3732 k = 0.1900 0.2741 0.2373 ( 4468 PWs) bands (ev): -1.6246 -1.6246 -1.6246 -1.6246 -0.8065 -0.8065 -0.8065 -0.8065 5.2807 5.2807 5.2807 5.2807 5.8519 5.8519 5.8519 5.8519 7.2404 7.2404 7.2404 7.2404 7.3223 7.3223 7.3223 7.3223 7.6956 7.6956 7.6956 7.6956 8.0977 8.0977 8.0977 8.0977 8.5673 8.5673 8.5673 8.5673 9.5781 9.5781 9.5781 9.5781 10.4813 10.4813 10.4813 10.4813 k = 0.1800 0.2741 0.2373 ( 4472 PWs) bands (ev): -1.6712 -1.6712 -1.6712 -1.6712 -0.8596 -0.8596 -0.8596 -0.8596 5.2472 5.2472 5.2472 5.2472 5.8638 5.8638 5.8638 5.8638 7.2585 7.2585 7.2585 7.2585 7.3312 7.3312 7.3312 7.3312 7.6926 7.6926 7.6926 7.6926 8.1388 8.1388 8.1388 8.1388 8.5672 8.5672 8.5672 8.5672 9.5992 9.5992 9.5992 9.5992 10.6047 10.6047 10.6047 10.6047 k = 0.1700 0.2741 0.2373 ( 4472 PWs) bands (ev): -1.7155 -1.7155 -1.7155 -1.7155 -0.9099 -0.9099 -0.9099 -0.9099 5.2143 5.2143 5.2143 5.2143 5.8719 5.8719 5.8719 5.8719 7.2738 7.2738 7.2738 7.2738 7.3386 7.3386 7.3386 7.3386 7.6912 7.6912 7.6912 7.6912 8.1732 8.1732 8.1732 8.1732 8.5642 8.5642 8.5642 8.5642 9.6145 9.6145 9.6145 9.6145 10.7405 10.7405 10.7405 10.7405 k = 0.1600 0.2741 0.2373 ( 4476 PWs) bands (ev): -1.7574 -1.7574 -1.7574 -1.7574 -0.9574 -0.9574 -0.9574 -0.9574 5.1822 5.1822 5.1822 5.1822 5.8768 5.8768 5.8768 5.8768 7.2866 7.2866 7.2866 7.2866 7.3455 7.3455 7.3455 7.3455 7.6911 7.6911 7.6911 7.6911 8.2007 8.2007 8.2007 8.2007 8.5585 8.5585 8.5585 8.5585 9.6253 9.6253 9.6253 9.6253 10.8856 10.8856 10.8856 10.8856 k = 0.1500 0.2741 0.2373 ( 4484 PWs) bands (ev): -1.7970 -1.7970 -1.7970 -1.7970 -1.0022 -1.0022 -1.0022 -1.0022 5.1512 5.1512 5.1512 5.1512 5.8789 5.8789 5.8789 5.8789 7.2955 7.2955 7.2955 7.2955 7.3543 7.3543 7.3543 7.3543 7.6918 7.6918 7.6918 7.6918 8.2213 8.2213 8.2213 8.2213 8.5504 8.5504 8.5504 8.5504 9.6327 9.6327 9.6327 9.6327 11.0368 11.0368 11.0368 11.0368 k = 0.1400 0.2741 0.2373 ( 4484 PWs) bands (ev): -1.8341 -1.8341 -1.8341 -1.8341 -1.0441 -1.0441 -1.0441 -1.0441 5.1215 5.1215 5.1215 5.1215 5.8789 5.8789 5.8789 5.8789 7.2993 7.2993 7.2993 7.2993 7.3672 7.3672 7.3672 7.3672 7.6931 7.6931 7.6931 7.6931 8.2348 8.2348 8.2348 8.2348 8.5410 8.5410 8.5410 8.5410 9.6377 9.6377 9.6377 9.6377 11.1909 11.1909 11.1909 11.1909 k = 0.1300 0.2741 0.2373 ( 4484 PWs) bands (ev): -1.8688 -1.8688 -1.8688 -1.8688 -1.0833 -1.0833 -1.0833 -1.0833 5.0933 5.0933 5.0933 5.0933 5.8771 5.8771 5.8771 5.8771 7.2983 7.2983 7.2983 7.2983 7.3847 7.3847 7.3847 7.3847 7.6946 7.6946 7.6946 7.6946 8.2410 8.2410 8.2410 8.2410 8.5314 8.5314 8.5314 8.5314 9.6410 9.6410 9.6410 9.6410 11.3437 11.3437 11.3437 11.3437 k = 0.1200 0.2741 0.2373 ( 4484 PWs) bands (ev): -1.9010 -1.9010 -1.9010 -1.9010 -1.1196 -1.1196 -1.1196 -1.1196 5.0668 5.0668 5.0668 5.0668 5.8740 5.8740 5.8740 5.8740 7.2942 7.2942 7.2942 7.2942 7.4056 7.4056 7.4056 7.4056 7.6962 7.6962 7.6962 7.6962 8.2399 8.2399 8.2399 8.2399 8.5227 8.5227 8.5227 8.5227 9.6430 9.6430 9.6430 9.6430 11.4896 11.4896 11.4896 11.4896 k = 0.1100 0.2741 0.2373 ( 4500 PWs) bands (ev): -1.9307 -1.9307 -1.9307 -1.9307 -1.1530 -1.1530 -1.1530 -1.1530 5.0420 5.0420 5.0420 5.0420 5.8698 5.8698 5.8698 5.8698 7.2881 7.2881 7.2881 7.2881 7.4289 7.4289 7.4289 7.4289 7.6977 7.6977 7.6977 7.6977 8.2314 8.2314 8.2314 8.2314 8.5158 8.5158 8.5158 8.5158 9.6440 9.6440 9.6440 9.6440 11.6203 11.6203 11.6203 11.6203 k = 0.1000 0.2741 0.2373 ( 4492 PWs) bands (ev): -1.9578 -1.9578 -1.9578 -1.9578 -1.1836 -1.1836 -1.1836 -1.1836 5.0190 5.0190 5.0190 5.0190 5.8651 5.8651 5.8651 5.8651 7.2812 7.2812 7.2812 7.2812 7.4542 7.4542 7.4542 7.4542 7.6992 7.6992 7.6992 7.6992 8.2161 8.2161 8.2161 8.2161 8.5113 8.5113 8.5113 8.5113 9.6445 9.6445 9.6445 9.6445 11.7260 11.7260 11.7260 11.7260 k = 0.0900 0.2741 0.2373 ( 4488 PWs) bands (ev): -1.9825 -1.9825 -1.9825 -1.9825 -1.2113 -1.2113 -1.2113 -1.2113 4.9981 4.9981 4.9981 4.9981 5.8600 5.8600 5.8600 5.8600 7.2740 7.2740 7.2740 7.2740 7.4809 7.4809 7.4809 7.4809 7.7008 7.7008 7.7008 7.7008 8.1949 8.1949 8.1949 8.1949 8.5089 8.5089 8.5089 8.5089 9.6445 9.6445 9.6445 9.6445 11.8007 11.8007 11.8007 11.8007 k = 0.0800 0.2741 0.2373 ( 4476 PWs) bands (ev): -2.0045 -2.0045 -2.0045 -2.0045 -1.2361 -1.2361 -1.2361 -1.2361 4.9791 4.9791 4.9791 4.9791 5.8548 5.8548 5.8548 5.8548 7.2669 7.2669 7.2669 7.2669 7.5086 7.5086 7.5086 7.5086 7.7024 7.7024 7.7024 7.7024 8.1692 8.1692 8.1692 8.1692 8.5083 8.5083 8.5083 8.5083 9.6443 9.6443 9.6443 9.6443 11.8476 11.8476 11.8476 11.8476 k = 0.0700 0.2741 0.2373 ( 4472 PWs) bands (ev): -2.0240 -2.0240 -2.0240 -2.0240 -1.2580 -1.2580 -1.2580 -1.2580 4.9623 4.9623 4.9623 4.9623 5.8498 5.8498 5.8498 5.8498 7.2601 7.2601 7.2601 7.2601 7.5367 7.5367 7.5367 7.5367 7.7044 7.7044 7.7044 7.7044 8.1402 8.1402 8.1402 8.1402 8.5089 8.5089 8.5089 8.5089 9.6438 9.6438 9.6438 9.6438 11.8753 11.8753 11.8753 11.8753 k = 0.0600 0.2741 0.2373 ( 4460 PWs) bands (ev): -2.0410 -2.0410 -2.0410 -2.0410 -1.2770 -1.2770 -1.2770 -1.2770 4.9476 4.9476 4.9476 4.9476 5.8450 5.8450 5.8450 5.8450 7.2539 7.2539 7.2539 7.2539 7.5645 7.5645 7.5645 7.5645 7.7071 7.7071 7.7071 7.7071 8.1091 8.1091 8.1091 8.1091 8.5103 8.5103 8.5103 8.5103 9.6433 9.6433 9.6433 9.6433 11.8914 11.8914 11.8914 11.8914 k = 0.0500 0.2741 0.2373 ( 4476 PWs) bands (ev): -2.0553 -2.0553 -2.0553 -2.0553 -1.2931 -1.2931 -1.2931 -1.2931 4.9350 4.9350 4.9350 4.9350 5.8408 5.8408 5.8408 5.8408 7.2484 7.2484 7.2484 7.2484 7.5909 7.5909 7.5909 7.5909 7.7109 7.7109 7.7109 7.7109 8.0771 8.0771 8.0771 8.0771 8.5118 8.5118 8.5118 8.5118 9.6428 9.6428 9.6428 9.6428 11.9007 11.9007 11.9007 11.9007 k = 0.0400 0.2741 0.2373 ( 4476 PWs) bands (ev): -2.0671 -2.0671 -2.0671 -2.0671 -1.3062 -1.3062 -1.3062 -1.3062 4.9247 4.9247 4.9247 4.9247 5.8371 5.8371 5.8371 5.8371 7.2438 7.2438 7.2438 7.2438 7.6144 7.6144 7.6144 7.6144 7.7169 7.7169 7.7169 7.7169 8.0456 8.0456 8.0456 8.0456 8.5135 8.5135 8.5135 8.5135 9.6423 9.6423 9.6423 9.6423 11.9061 11.9061 11.9061 11.9061 k = 0.0300 0.2741 0.2373 ( 4484 PWs) bands (ev): -2.0762 -2.0762 -2.0762 -2.0762 -1.3165 -1.3165 -1.3165 -1.3165 4.9167 4.9167 4.9167 4.9167 5.8342 5.8342 5.8342 5.8342 7.2400 7.2400 7.2400 7.2400 7.6332 7.6332 7.6332 7.6332 7.7254 7.7254 7.7254 7.7254 8.0162 8.0162 8.0162 8.0162 8.5149 8.5149 8.5149 8.5149 9.6418 9.6418 9.6418 9.6418 11.9092 11.9092 11.9092 11.9092 k = 0.0200 0.2741 0.2373 ( 4480 PWs) bands (ev): -2.0827 -2.0827 -2.0827 -2.0827 -1.3238 -1.3238 -1.3238 -1.3238 4.9109 4.9109 4.9109 4.9109 5.8320 5.8320 5.8320 5.8320 7.2374 7.2374 7.2374 7.2374 7.6460 7.6460 7.6460 7.6460 7.7360 7.7360 7.7360 7.7360 7.9912 7.9912 7.9912 7.9912 8.5161 8.5161 8.5161 8.5161 9.6415 9.6415 9.6415 9.6415 11.9109 11.9109 11.9109 11.9109 k = 0.0100 0.2741 0.2373 ( 4488 PWs) bands (ev): -2.0867 -2.0867 -2.0867 -2.0867 -1.3282 -1.3282 -1.3282 -1.3282 4.9075 4.9075 4.9075 4.9075 5.8307 5.8307 5.8307 5.8307 7.2358 7.2358 7.2358 7.2358 7.6529 7.6529 7.6529 7.6529 7.7454 7.7454 7.7454 7.7454 7.9737 7.9737 7.9737 7.9737 8.5168 8.5168 8.5168 8.5168 9.6413 9.6413 9.6413 9.6413 11.9117 11.9117 11.9117 11.9117 k = 0.0000 0.2741 0.2373 ( 4496 PWs) bands (ev): -2.0880 -2.0880 -2.0880 -2.0880 -1.3297 -1.3297 -1.3297 -1.3297 4.9063 4.9063 4.9063 4.9063 5.8303 5.8303 5.8303 5.8303 7.2352 7.2352 7.2352 7.2352 7.6551 7.6551 7.6551 7.6551 7.7493 7.7493 7.7493 7.7493 7.9673 7.9673 7.9673 7.9673 8.5170 8.5170 8.5170 8.5170 9.6412 9.6412 9.6412 9.6412 11.9120 11.9120 11.9120 11.9120 k = 0.0000 0.2741 0.2373 ( 4496 PWs) bands (ev): -2.0880 -2.0880 -2.0880 -2.0880 -1.3297 -1.3297 -1.3297 -1.3297 4.9063 4.9063 4.9063 4.9063 5.8303 5.8303 5.8303 5.8303 7.2352 7.2352 7.2352 7.2352 7.6551 7.6551 7.6551 7.6551 7.7493 7.7493 7.7493 7.7493 7.9673 7.9673 7.9673 7.9673 8.5170 8.5170 8.5170 8.5170 9.6412 9.6412 9.6412 9.6412 11.9120 11.9120 11.9120 11.9120 k = 0.0000 0.2639 0.2373 ( 4498 PWs) bands (ev): -2.0933 -2.0933 -2.0933 -2.0933 -1.3224 -1.3224 -1.3224 -1.3224 4.9004 4.9004 4.9004 4.9004 5.8361 5.8361 5.8361 5.8361 7.2271 7.2271 7.2271 7.2271 7.6520 7.6520 7.6520 7.6520 7.7460 7.7460 7.7460 7.7460 7.9752 7.9752 7.9752 7.9752 8.5168 8.5168 8.5168 8.5168 9.6446 9.6446 9.6446 9.6446 11.9176 11.9176 11.9176 11.9176 k = 0.0000 0.2538 0.2373 ( 4490 PWs) bands (ev): -2.1087 -2.1087 -2.1087 -2.1087 -1.3014 -1.3014 -1.3014 -1.3014 4.8831 4.8831 4.8831 4.8831 5.8529 5.8529 5.8529 5.8529 7.2029 7.2029 7.2029 7.2029 7.6431 7.6431 7.6431 7.6431 7.7393 7.7393 7.7393 7.7393 7.9957 7.9957 7.9957 7.9957 8.5165 8.5165 8.5165 8.5165 9.6543 9.6543 9.6543 9.6543 11.9342 11.9342 11.9342 11.9342 k = 0.0000 0.2436 0.2373 ( 4482 PWs) bands (ev): -2.1325 -2.1325 -2.1325 -2.1325 -1.2682 -1.2682 -1.2682 -1.2682 4.8557 4.8557 4.8557 4.8557 5.8795 5.8795 5.8795 5.8795 7.1629 7.1629 7.1629 7.1629 7.6302 7.6302 7.6302 7.6302 7.7334 7.7334 7.7334 7.7334 8.0232 8.0232 8.0232 8.0232 8.5159 8.5159 8.5159 8.5159 9.6699 9.6699 9.6699 9.6699 11.9609 11.9609 11.9609 11.9609 k = 0.0000 0.2335 0.2373 ( 4470 PWs) bands (ev): -2.1628 -2.1628 -2.1628 -2.1628 -1.2248 -1.2248 -1.2248 -1.2248 4.8196 4.8196 4.8196 4.8196 5.9140 5.9140 5.9140 5.9140 7.1083 7.1083 7.1083 7.1083 7.6165 7.6165 7.6165 7.6165 7.7300 7.7300 7.7300 7.7300 8.0534 8.0534 8.0534 8.0534 8.5151 8.5151 8.5151 8.5151 9.6904 9.6904 9.6904 9.6904 11.9961 11.9961 11.9961 11.9961 k = 0.0000 0.2233 0.2373 ( 4462 PWs) bands (ev): -2.1977 -2.1977 -2.1977 -2.1977 -1.1734 -1.1734 -1.1734 -1.1734 4.7767 4.7767 4.7767 4.7767 5.9543 5.9543 5.9543 5.9543 7.0413 7.0413 7.0413 7.0413 7.6041 7.6041 7.6041 7.6041 7.7289 7.7289 7.7289 7.7289 8.0839 8.0839 8.0839 8.0839 8.5140 8.5140 8.5140 8.5140 9.7148 9.7148 9.7148 9.7148 12.0375 12.0375 12.0375 12.0375 k = 0.0000 0.2132 0.2373 ( 4464 PWs) bands (ev): -2.2353 -2.2353 -2.2353 -2.2353 -1.1156 -1.1156 -1.1156 -1.1156 4.7283 4.7283 4.7283 4.7283 5.9983 5.9983 5.9983 5.9983 6.9651 6.9651 6.9651 6.9651 7.5941 7.5941 7.5941 7.5941 7.7294 7.7294 7.7294 7.7294 8.1137 8.1137 8.1137 8.1137 8.5127 8.5127 8.5127 8.5127 9.7421 9.7421 9.7421 9.7421 12.0820 12.0820 12.0820 12.0820 k = 0.0000 0.2030 0.2373 ( 4468 PWs) bands (ev): -2.2746 -2.2746 -2.2746 -2.2746 -1.0529 -1.0529 -1.0529 -1.0529 4.6756 4.6756 4.6756 4.6756 6.0441 6.0441 6.0441 6.0441 6.8830 6.8830 6.8830 6.8830 7.5865 7.5865 7.5865 7.5865 7.7310 7.7310 7.7310 7.7310 8.1425 8.1425 8.1425 8.1425 8.5111 8.5111 8.5111 8.5111 9.7715 9.7715 9.7715 9.7715 12.1257 12.1257 12.1257 12.1257 k = 0.0000 0.1929 0.2373 ( 4464 PWs) bands (ev): -2.3144 -2.3144 -2.3144 -2.3144 -0.9864 -0.9864 -0.9864 -0.9864 4.6196 4.6196 4.6196 4.6196 6.0890 6.0890 6.0890 6.0890 6.7989 6.7989 6.7989 6.7989 7.5808 7.5808 7.5808 7.5808 7.7336 7.7336 7.7336 7.7336 8.1702 8.1702 8.1702 8.1702 8.5094 8.5094 8.5094 8.5094 9.8023 9.8023 9.8023 9.8023 12.1637 12.1637 12.1637 12.1638 k = 0.0000 0.1827 0.2373 ( 4470 PWs) bands (ev): -2.3541 -2.3541 -2.3541 -2.3541 -0.9171 -0.9171 -0.9171 -0.9171 4.5611 4.5611 4.5611 4.5611 6.1301 6.1301 6.1301 6.1301 6.7171 6.7171 6.7171 6.7171 7.5768 7.5768 7.5768 7.5768 7.7367 7.7367 7.7367 7.7367 8.1972 8.1972 8.1972 8.1972 8.5075 8.5075 8.5075 8.5075 9.8339 9.8339 9.8339 9.8339 12.1912 12.1912 12.1912 12.1912 k = 0.0000 0.1726 0.2373 ( 4488 PWs) bands (ev): -2.3930 -2.3930 -2.3930 -2.3930 -0.8458 -0.8458 -0.8458 -0.8458 4.5007 4.5007 4.5007 4.5007 6.1623 6.1623 6.1623 6.1623 6.6434 6.6434 6.6434 6.6434 7.5739 7.5739 7.5739 7.5739 7.7403 7.7403 7.7403 7.7403 8.2236 8.2236 8.2236 8.2236 8.5055 8.5055 8.5055 8.5055 9.8660 9.8660 9.8660 9.8660 12.2036 12.2036 12.2036 12.2036 k = 0.0000 0.1624 0.2373 ( 4486 PWs) bands (ev): -2.4309 -2.4309 -2.4309 -2.4309 -0.7730 -0.7730 -0.7730 -0.7730 4.4387 4.4387 4.4387 4.4387 6.1780 6.1780 6.1780 6.1780 6.5864 6.5864 6.5864 6.5864 7.5720 7.5720 7.5720 7.5720 7.7443 7.7443 7.7443 7.7443 8.2499 8.2499 8.2499 8.2499 8.5035 8.5035 8.5035 8.5035 9.8988 9.8988 9.8988 9.8988 12.1987 12.1987 12.1987 12.1987 k = 0.0000 0.1523 0.2373 ( 4486 PWs) bands (ev): -2.4673 -2.4673 -2.4673 -2.4673 -0.6995 -0.6995 -0.6995 -0.6995 4.3758 4.3758 4.3758 4.3758 6.1685 6.1685 6.1685 6.1685 6.5556 6.5556 6.5556 6.5556 7.5708 7.5708 7.5708 7.5708 7.7486 7.7486 7.7486 7.7486 8.2760 8.2760 8.2760 8.2760 8.5015 8.5015 8.5015 8.5015 9.9323 9.9323 9.9323 9.9323 12.1765 12.1765 12.1765 12.1765 k = 0.0000 0.1421 0.2373 ( 4494 PWs) bands (ev): -2.5021 -2.5021 -2.5021 -2.5021 -0.6259 -0.6259 -0.6259 -0.6259 4.3122 4.3122 4.3122 4.3122 6.1320 6.1320 6.1320 6.1320 6.5531 6.5531 6.5531 6.5531 7.5701 7.5701 7.5701 7.5701 7.7532 7.7532 7.7532 7.7532 8.3021 8.3021 8.3021 8.3021 8.4996 8.4996 8.4996 8.4996 9.9665 9.9665 9.9665 9.9665 12.1386 12.1386 12.1386 12.1386 k = 0.0000 0.1320 0.2373 ( 4496 PWs) bands (ev): -2.5350 -2.5350 -2.5350 -2.5350 -0.5527 -0.5527 -0.5527 -0.5527 4.2484 4.2484 4.2484 4.2484 6.0768 6.0768 6.0768 6.0768 6.5712 6.5712 6.5712 6.5712 7.5699 7.5699 7.5699 7.5699 7.7579 7.7579 7.7579 7.7579 8.3281 8.3281 8.3281 8.3281 8.4980 8.4980 8.4980 8.4980 10.0020 10.0020 10.0020 10.0020 12.0871 12.0871 12.0871 12.0871 k = 0.0000 0.1218 0.2373 ( 4496 PWs) bands (ev): -2.5658 -2.5658 -2.5658 -2.5658 -0.4805 -0.4805 -0.4805 -0.4805 4.1848 4.1848 4.1848 4.1848 6.0129 6.0129 6.0129 6.0129 6.6003 6.6003 6.6003 6.6003 7.5700 7.5700 7.5700 7.5700 7.7627 7.7627 7.7627 7.7627 8.3538 8.3538 8.3538 8.3538 8.4969 8.4969 8.4969 8.4969 10.0389 10.0389 10.0389 10.0389 12.0235 12.0235 12.0235 12.0235 k = 0.0000 0.1117 0.2373 ( 4490 PWs) bands (ev): -2.5945 -2.5945 -2.5945 -2.5945 -0.4101 -0.4101 -0.4101 -0.4101 4.1219 4.1219 4.1219 4.1219 5.9469 5.9469 5.9469 5.9469 6.6338 6.6338 6.6338 6.6338 7.5704 7.5704 7.5704 7.5704 7.7675 7.7675 7.7675 7.7675 8.3788 8.3788 8.3788 8.3788 8.4967 8.4967 8.4967 8.4967 10.0778 10.0778 10.0778 10.0778 11.9491 11.9491 11.9491 11.9491 k = 0.0000 0.1015 0.2373 ( 4486 PWs) bands (ev): -2.6209 -2.6209 -2.6209 -2.6209 -0.3420 -0.3420 -0.3420 -0.3420 4.0605 4.0605 4.0605 4.0605 5.8825 5.8825 5.8825 5.8825 6.6684 6.6684 6.6684 6.6684 7.5709 7.5709 7.5709 7.5709 7.7722 7.7722 7.7722 7.7722 8.4022 8.4022 8.4022 8.4022 8.4981 8.4981 8.4981 8.4981 10.1191 10.1191 10.1191 10.1191 11.8652 11.8652 11.8652 11.8652 k = 0.0000 0.0914 0.2373 ( 4480 PWs) bands (ev): -2.6451 -2.6451 -2.6451 -2.6451 -0.2770 -0.2770 -0.2770 -0.2770 4.0010 4.0010 4.0010 4.0010 5.8220 5.8220 5.8220 5.8220 6.7019 6.7019 6.7019 6.7019 7.5716 7.5716 7.5716 7.5716 7.7767 7.7767 7.7767 7.7767 8.4225 8.4225 8.4225 8.4225 8.5021 8.5021 8.5021 8.5021 10.1631 10.1631 10.1631 10.1631 11.7734 11.7734 11.7734 11.7734 k = 0.0000 0.0812 0.2373 ( 4480 PWs) bands (ev): -2.6668 -2.6668 -2.6668 -2.6668 -0.2157 -0.2157 -0.2157 -0.2157 3.9444 3.9444 3.9444 3.9444 5.7664 5.7664 5.7664 5.7664 6.7333 6.7333 6.7333 6.7333 7.5723 7.5723 7.5723 7.5723 7.7810 7.7810 7.7810 7.7810 8.4378 8.4378 8.4378 8.4378 8.5104 8.5104 8.5104 8.5104 10.2102 10.2102 10.2102 10.2102 11.6759 11.6759 11.6759 11.6759 k = 0.0000 0.0711 0.2373 ( 4488 PWs) bands (ev): -2.6861 -2.6861 -2.6861 -2.6861 -0.1591 -0.1591 -0.1591 -0.1591 3.8914 3.8914 3.8914 3.8914 5.7165 5.7165 5.7165 5.7165 6.7618 6.7618 6.7618 6.7618 7.5730 7.5730 7.5730 7.5730 7.7850 7.7850 7.7850 7.7850 8.4473 8.4473 8.4473 8.4473 8.5233 8.5233 8.5233 8.5233 10.2607 10.2607 10.2607 10.2607 11.5747 11.5747 11.5747 11.5747 k = 0.0000 0.0609 0.2373 ( 4496 PWs) bands (ev): -2.7029 -2.7029 -2.7029 -2.7029 -0.1079 -0.1079 -0.1079 -0.1079 3.8430 3.8430 3.8430 3.8430 5.6728 5.6728 5.6728 5.6728 6.7870 6.7870 6.7870 6.7870 7.5737 7.5737 7.5737 7.5737 7.7886 7.7886 7.7886 7.7886 8.4522 8.4522 8.4522 8.4522 8.5391 8.5391 8.5391 8.5391 10.3145 10.3145 10.3145 10.3145 11.4722 11.4722 11.4722 11.4722 k = 0.0000 0.0508 0.2373 ( 4496 PWs) bands (ev): -2.7171 -2.7171 -2.7171 -2.7171 -0.0628 -0.0628 -0.0628 -0.0628 3.8000 3.8000 3.8000 3.8000 5.6356 5.6356 5.6356 5.6356 6.8086 6.8086 6.8086 6.8086 7.5744 7.5744 7.5744 7.5744 7.7917 7.7917 7.7917 7.7917 8.4545 8.4545 8.4545 8.4545 8.5555 8.5555 8.5555 8.5555 10.3716 10.3716 10.3716 10.3716 11.3706 11.3706 11.3706 11.3706 k = 0.0000 0.0406 0.2373 ( 4492 PWs) bands (ev): -2.7288 -2.7288 -2.7288 -2.7288 -0.0246 -0.0246 -0.0246 -0.0246 3.7634 3.7634 3.7634 3.7634 5.6051 5.6051 5.6051 5.6051 6.8264 6.8264 6.8264 6.8264 7.5750 7.5750 7.5750 7.5750 7.7944 7.7944 7.7944 7.7944 8.4554 8.4554 8.4554 8.4554 8.5707 8.5707 8.5707 8.5707 10.4311 10.4311 10.4311 10.4311 11.2725 11.2725 11.2725 11.2725 k = 0.0000 0.0305 0.2373 ( 4486 PWs) bands (ev): -2.7379 -2.7379 -2.7379 -2.7379 0.0059 0.0059 0.0059 0.0059 3.7339 3.7339 3.7339 3.7339 5.5813 5.5813 5.5813 5.5813 6.8403 6.8403 6.8403 6.8403 7.5755 7.5755 7.5755 7.5755 7.7966 7.7966 7.7966 7.7966 8.4557 8.4557 8.4557 8.4557 8.5834 8.5834 8.5834 8.5834 10.4910 10.4910 10.4910 10.4910 11.1811 11.1811 11.1811 11.1811 k = 0.0000 0.0203 0.2373 ( 4490 PWs) bands (ev): -2.7445 -2.7445 -2.7445 -2.7445 0.0281 0.0281 0.0281 0.0281 3.7123 3.7123 3.7123 3.7123 5.5642 5.5642 5.5642 5.5642 6.8503 6.8503 6.8503 6.8503 7.5759 7.5759 7.5759 7.5759 7.7981 7.7981 7.7981 7.7981 8.4557 8.4557 8.4557 8.4557 8.5930 8.5930 8.5930 8.5930 10.5472 10.5472 10.5472 10.5472 11.1017 11.1017 11.1017 11.1017 k = 0.0000 0.0102 0.2373 ( 4488 PWs) bands (ev): -2.7484 -2.7484 -2.7484 -2.7484 0.0417 0.0417 0.0417 0.0417 3.6991 3.6991 3.6991 3.6991 5.5540 5.5540 5.5540 5.5540 6.8563 6.8563 6.8563 6.8563 7.5761 7.5761 7.5761 7.5761 7.7990 7.7990 7.7990 7.7990 8.4556 8.4556 8.4556 8.4556 8.5989 8.5989 8.5989 8.5989 10.5910 10.5910 10.5910 10.5910 11.0437 11.0437 11.0437 11.0437 k = 0.0000 0.0000 0.2373 ( 4492 PWs) bands (ev): -2.7497 -2.7497 -2.7497 -2.7497 0.0462 0.0462 0.0462 0.0462 3.6947 3.6947 3.6947 3.6947 5.5506 5.5506 5.5506 5.5506 6.8583 6.8583 6.8583 6.8583 7.5762 7.5762 7.5762 7.5762 7.7993 7.7993 7.7993 7.7993 8.4555 8.4555 8.4555 8.4555 8.6009 8.6009 8.6009 8.6009 10.6085 10.6085 10.6085 10.6085 11.0214 11.0214 11.0214 11.0214 k = 0.0000 0.2741-0.0000 ( 4476 PWs) bands (ev): -2.4830 -2.4830 -2.4830 -2.4830 -0.5134 -0.5134 -0.5134 -0.5134 3.2654 3.2654 3.2654 3.2654 6.5963 6.5963 6.5963 6.5963 7.0404 7.0404 7.0404 7.0404 7.6918 7.6918 7.6918 7.6918 7.8599 7.8599 7.8599 7.8599 8.3280 8.3280 8.3280 8.3280 8.4855 8.4855 8.4855 8.4855 11.2954 11.2954 11.2954 11.2954 11.8637 11.8637 11.8637 11.8637 k = 0.0000 0.2741 0.0099 ( 4480 PWs) bands (ev): -2.4819 -2.4819 -2.4819 -2.4819 -0.5167 -0.5167 -0.5167 -0.5167 3.2707 3.2707 3.2707 3.2707 6.5946 6.5946 6.5946 6.5946 7.0422 7.0422 7.0422 7.0422 7.6917 7.6917 7.6917 7.6917 7.8597 7.8597 7.8597 7.8597 8.3253 8.3253 8.3253 8.3253 8.4856 8.4856 8.4856 8.4856 11.2796 11.2796 11.2796 11.2796 11.8740 11.8740 11.8740 11.8740 k = 0.0000 0.2741 0.0198 ( 4484 PWs) bands (ev): -2.4786 -2.4786 -2.4786 -2.4786 -0.5266 -0.5266 -0.5266 -0.5266 3.2867 3.2867 3.2867 3.2867 6.5894 6.5894 6.5894 6.5894 7.0474 7.0474 7.0474 7.0474 7.6916 7.6916 7.6916 7.6916 7.8593 7.8593 7.8593 7.8593 8.3173 8.3173 8.3173 8.3173 8.4860 8.4860 8.4860 8.4860 11.2355 11.2355 11.2355 11.2355 11.9013 11.9013 11.9013 11.9013 k = 0.0000 0.2741 0.0297 ( 4484 PWs) bands (ev): -2.4731 -2.4731 -2.4731 -2.4731 -0.5429 -0.5429 -0.5429 -0.5429 3.3131 3.3131 3.3131 3.3131 6.5809 6.5809 6.5809 6.5809 7.0558 7.0558 7.0558 7.0558 7.6914 7.6914 7.6914 7.6914 7.8587 7.8587 7.8587 7.8587 8.3040 8.3040 8.3040 8.3040 8.4867 8.4867 8.4867 8.4867 11.1709 11.1709 11.1709 11.1709 11.9377 11.9377 11.9377 11.9377 k = 0.0000 0.2741 0.0396 ( 4472 PWs) bands (ev): -2.4655 -2.4655 -2.4655 -2.4655 -0.5652 -0.5652 -0.5652 -0.5652 3.3496 3.3496 3.3496 3.3496 6.5694 6.5694 6.5694 6.5694 7.0670 7.0670 7.0670 7.0670 7.6910 7.6910 7.6910 7.6910 7.8578 7.8578 7.8578 7.8578 8.2859 8.2859 8.2859 8.2859 8.4878 8.4878 8.4878 8.4878 11.0925 11.0925 11.0925 11.0925 11.9761 11.9761 11.9761 11.9761 k = 0.0000 0.2741 0.0494 ( 4472 PWs) bands (ev): -2.4557 -2.4557 -2.4557 -2.4557 -0.5931 -0.5931 -0.5931 -0.5931 3.3956 3.3956 3.3956 3.3956 6.5548 6.5548 6.5548 6.5548 7.0807 7.0807 7.0807 7.0807 7.6906 7.6906 7.6906 7.6906 7.8565 7.8565 7.8565 7.8565 8.2632 8.2632 8.2632 8.2632 8.4890 8.4890 8.4890 8.4890 11.0050 11.0050 11.0050 11.0050 12.0114 12.0114 12.0114 12.0114 k = 0.0000 0.2741 0.0593 ( 4460 PWs) bands (ev): -2.4438 -2.4438 -2.4438 -2.4438 -0.6260 -0.6260 -0.6260 -0.6260 3.4505 3.4505 3.4505 3.4505 6.5375 6.5375 6.5375 6.5375 7.0964 7.0964 7.0964 7.0964 7.6902 7.6902 7.6902 7.6902 7.8548 7.8548 7.8548 7.8548 8.2366 8.2366 8.2366 8.2366 8.4904 8.4904 8.4904 8.4904 10.9117 10.9117 10.9117 10.9117 12.0405 12.0405 12.0405 12.0405 k = 0.0000 0.2741 0.0692 ( 4454 PWs) bands (ev): -2.4298 -2.4298 -2.4298 -2.4298 -0.6634 -0.6634 -0.6634 -0.6634 3.5137 3.5137 3.5137 3.5137 6.5175 6.5175 6.5175 6.5175 7.1136 7.1136 7.1136 7.1136 7.6896 7.6896 7.6896 7.6896 7.8525 7.8525 7.8525 7.8525 8.2066 8.2066 8.2066 8.2066 8.4921 8.4921 8.4921 8.4921 10.8147 10.8147 10.8147 10.8147 12.0617 12.0617 12.0617 12.0617 k = 0.0000 0.2741 0.0791 ( 4470 PWs) bands (ev): -2.4139 -2.4139 -2.4139 -2.4139 -0.7047 -0.7047 -0.7047 -0.7047 3.5846 3.5846 3.5846 3.5846 6.4948 6.4948 6.4948 6.4948 7.1317 7.1317 7.1317 7.1317 7.6890 7.6890 7.6890 7.6890 7.8495 7.8495 7.8495 7.8495 8.1740 8.1740 8.1740 8.1740 8.4938 8.4938 8.4938 8.4938 10.7155 10.7155 10.7155 10.7155 12.0745 12.0745 12.0745 12.0745 k = 0.0000 0.2741 0.0890 ( 4468 PWs) bands (ev): -2.3961 -2.3961 -2.3961 -2.3961 -0.7491 -0.7491 -0.7491 -0.7491 3.6622 3.6622 3.6622 3.6622 6.4693 6.4693 6.4693 6.4693 7.1503 7.1503 7.1503 7.1503 7.6883 7.6883 7.6883 7.6883 7.8455 7.8455 7.8455 7.8455 8.1401 8.1401 8.1401 8.1401 8.4957 8.4957 8.4957 8.4957 10.6154 10.6154 10.6154 10.6154 12.0793 12.0793 12.0793 12.0793 k = 0.0000 0.2741 0.0989 ( 4480 PWs) bands (ev): -2.3765 -2.3765 -2.3765 -2.3765 -0.7961 -0.7961 -0.7961 -0.7961 3.7459 3.7459 3.7459 3.7459 6.4409 6.4409 6.4409 6.4409 7.1689 7.1689 7.1689 7.1689 7.6876 7.6876 7.6876 7.6876 7.8402 7.8402 7.8402 7.8402 8.1060 8.1060 8.1060 8.1060 8.4976 8.4976 8.4976 8.4976 10.5155 10.5155 10.5155 10.5155 12.0769 12.0769 12.0769 12.0769 k = 0.0000 0.2741 0.1088 ( 4480 PWs) bands (ev): -2.3553 -2.3553 -2.3553 -2.3553 -0.8451 -0.8451 -0.8451 -0.8451 3.8349 3.8349 3.8349 3.8349 6.4093 6.4093 6.4093 6.4093 7.1868 7.1868 7.1868 7.1868 7.6868 7.6868 7.6868 7.6868 7.8332 7.8332 7.8332 7.8332 8.0733 8.0733 8.0733 8.0733 8.4997 8.4997 8.4997 8.4997 10.4168 10.4168 10.4168 10.4168 12.0686 12.0686 12.0686 12.0686 k = 0.0000 0.2741 0.1187 ( 4480 PWs) bands (ev): -2.3325 -2.3325 -2.3325 -2.3325 -0.8952 -0.8952 -0.8952 -0.8952 3.9284 3.9284 3.9284 3.9284 6.3743 6.3743 6.3743 6.3743 7.2035 7.2035 7.2035 7.2035 7.6859 7.6859 7.6859 7.6859 7.8240 7.8240 7.8240 7.8240 8.0436 8.0436 8.0436 8.0436 8.5017 8.5017 8.5017 8.5017 10.3202 10.3202 10.3202 10.3202 12.0561 12.0561 12.0561 12.0561 k = 0.0000 0.2741 0.1286 ( 4476 PWs) bands (ev): -2.3084 -2.3084 -2.3084 -2.3084 -0.9460 -0.9460 -0.9460 -0.9460 4.0255 4.0255 4.0255 4.0255 6.3356 6.3356 6.3356 6.3356 7.2185 7.2185 7.2185 7.2185 7.6847 7.6847 7.6847 7.6847 7.8127 7.8127 7.8127 7.8127 8.0183 8.0183 8.0183 8.0183 8.5038 8.5038 8.5038 8.5038 10.2266 10.2266 10.2266 10.2266 12.0405 12.0405 12.0405 12.0405 k = 0.0000 0.2741 0.1385 ( 4486 PWs) bands (ev): -2.2832 -2.2832 -2.2832 -2.2832 -0.9968 -0.9968 -0.9968 -0.9968 4.1252 4.1252 4.1252 4.1252 6.2930 6.2930 6.2930 6.2930 7.2309 7.2309 7.2309 7.2309 7.6831 7.6831 7.6831 7.6831 7.7996 7.7996 7.7996 7.7996 7.9982 7.9982 7.9982 7.9982 8.5058 8.5058 8.5058 8.5058 10.1369 10.1369 10.1369 10.1369 12.0233 12.0233 12.0233 12.0233 k = 0.0000 0.2741 0.1483 ( 4486 PWs) bands (ev): -2.2573 -2.2573 -2.2573 -2.2573 -1.0470 -1.0470 -1.0470 -1.0470 4.2267 4.2267 4.2267 4.2267 6.2464 6.2464 6.2464 6.2464 7.2405 7.2405 7.2405 7.2405 7.6809 7.6809 7.6809 7.6809 7.7860 7.7860 7.7860 7.7860 7.9836 7.9836 7.9836 7.9836 8.5077 8.5077 8.5077 8.5077 10.0520 10.0520 10.0520 10.0520 12.0055 12.0055 12.0055 12.0055 k = 0.0000 0.2741 0.1582 ( 4486 PWs) bands (ev): -2.2310 -2.2310 -2.2310 -2.2310 -1.0957 -1.0957 -1.0957 -1.0957 4.3289 4.3289 4.3289 4.3289 6.1959 6.1959 6.1959 6.1959 7.2469 7.2469 7.2469 7.2469 7.6780 7.6780 7.6780 7.6780 7.7735 7.7735 7.7735 7.7735 7.9738 7.9738 7.9738 7.9738 8.5095 8.5095 8.5095 8.5095 9.9728 9.9728 9.9728 9.9728 11.9880 11.9880 11.9880 11.9880 k = 0.0000 0.2741 0.1681 ( 4480 PWs) bands (ev): -2.2047 -2.2047 -2.2047 -2.2047 -1.1424 -1.1424 -1.1424 -1.1424 4.4304 4.4304 4.4304 4.4304 6.1417 6.1417 6.1417 6.1417 7.2501 7.2501 7.2501 7.2501 7.6742 7.6742 7.6742 7.6742 7.7634 7.7634 7.7634 7.7634 7.9678 7.9678 7.9678 7.9678 8.5112 8.5112 8.5112 8.5112 9.9001 9.9001 9.9001 9.9001 11.9715 11.9715 11.9715 11.9715 k = 0.0000 0.2741 0.1780 ( 4490 PWs) bands (ev): -2.1792 -2.1792 -2.1792 -2.1792 -1.1861 -1.1861 -1.1861 -1.1861 4.5296 4.5296 4.5296 4.5296 6.0848 6.0848 6.0848 6.0848 7.2504 7.2504 7.2504 7.2504 7.6699 7.6699 7.6699 7.6699 7.7563 7.7563 7.7563 7.7563 7.9648 7.9648 7.9648 7.9648 8.5127 8.5127 8.5127 8.5127 9.8348 9.8348 9.8348 9.8348 11.9565 11.9565 11.9565 11.9565 k = 0.0000 0.2741 0.1879 ( 4492 PWs) bands (ev): -2.1550 -2.1550 -2.1550 -2.1550 -1.2259 -1.2259 -1.2259 -1.2259 4.6245 4.6245 4.6245 4.6245 6.0265 6.0265 6.0265 6.0265 7.2485 7.2485 7.2485 7.2485 7.6656 7.6656 7.6656 7.6656 7.7521 7.7521 7.7521 7.7521 7.9638 7.9638 7.9638 7.9638 8.5139 8.5139 8.5139 8.5139 9.7778 9.7778 9.7778 9.7778 11.9433 11.9433 11.9433 11.9433 k = 0.0000 0.2741 0.1978 ( 4488 PWs) bands (ev): -2.1331 -2.1331 -2.1331 -2.1331 -1.2609 -1.2609 -1.2609 -1.2609 4.7125 4.7125 4.7125 4.7125 5.9690 5.9690 5.9690 5.9690 7.2452 7.2452 7.2452 7.2452 7.6618 7.6618 7.6618 7.6618 7.7500 7.7500 7.7500 7.7500 7.9641 7.9641 7.9641 7.9641 8.5150 8.5150 8.5150 8.5150 9.7298 9.7298 9.7298 9.7298 11.9322 11.9322 11.9322 11.9322 k = 0.0000 0.2741 0.2077 ( 4482 PWs) bands (ev): -2.1145 -2.1145 -2.1145 -2.1145 -1.2898 -1.2898 -1.2898 -1.2898 4.7898 4.7898 4.7898 4.7898 5.9157 5.9157 5.9157 5.9157 7.2415 7.2415 7.2415 7.2415 7.6589 7.6589 7.6589 7.6589 7.7493 7.7493 7.7493 7.7493 7.9650 7.9650 7.9650 7.9650 8.5159 8.5159 8.5159 8.5159 9.6916 9.6916 9.6916 9.6916 11.9235 11.9235 11.9235 11.9235 k = 0.0000 0.2741 0.2176 ( 4490 PWs) bands (ev): -2.1001 -2.1001 -2.1001 -2.1001 -1.3115 -1.3115 -1.3115 -1.3115 4.8515 4.8515 4.8515 4.8515 5.8712 5.8712 5.8712 5.8712 7.2382 7.2382 7.2382 7.2382 7.6568 7.6568 7.6568 7.6568 7.7492 7.7492 7.7492 7.7492 7.9662 7.9662 7.9662 7.9662 8.5165 8.5165 8.5165 8.5165 9.6638 9.6638 9.6638 9.6638 11.9171 11.9171 11.9171 11.9171 k = 0.0000 0.2741 0.2275 ( 4490 PWs) bands (ev): -2.0911 -2.0911 -2.0911 -2.0911 -1.3250 -1.3250 -1.3250 -1.3250 4.8921 4.8921 4.8921 4.8921 5.8410 5.8410 5.8410 5.8410 7.2360 7.2360 7.2360 7.2360 7.6555 7.6555 7.6555 7.6555 7.7492 7.7492 7.7492 7.7492 7.9670 7.9670 7.9670 7.9670 8.5169 8.5169 8.5169 8.5169 9.6469 9.6469 9.6469 9.6469 11.9133 11.9133 11.9133 11.9133 k = 0.0000 0.2741 0.2373 ( 4496 PWs) bands (ev): -2.0880 -2.0880 -2.0880 -2.0880 -1.3297 -1.3297 -1.3297 -1.3297 4.9063 4.9063 4.9063 4.9063 5.8303 5.8303 5.8303 5.8303 7.2352 7.2352 7.2352 7.2352 7.6551 7.6551 7.6551 7.6551 7.7493 7.7493 7.7493 7.7493 7.9673 7.9673 7.9673 7.9673 8.5170 8.5170 8.5170 8.5170 9.6412 9.6412 9.6412 9.6412 11.9120 11.9120 11.9120 11.9120 k = 0.5000-0.0000 0.2373 ( 4440 PWs) bands (ev): -0.0684 -0.0684 -0.0636 -0.0636 1.2126 1.2126 1.2367 1.2367 3.6582 3.6582 3.7550 3.7550 5.6383 5.6383 5.7256 5.7256 6.2067 6.2067 6.3114 6.3114 6.6711 6.6711 6.7445 6.7445 7.5725 7.5725 7.5754 7.5754 7.9515 7.9515 7.9667 7.9667 8.2258 8.2258 8.2521 8.2521 8.9582 8.9582 8.9817 8.9817 9.3789 9.3789 9.4280 9.4280 k = 0.5000-0.0000 0.2275 ( 4436 PWs) bands (ev): -0.0696 -0.0696 -0.0648 -0.0648 1.2146 1.2146 1.2386 1.2386 3.6590 3.6590 3.7557 3.7557 5.6356 5.6356 5.7232 5.7232 6.2076 6.2076 6.3134 6.3134 6.6721 6.6721 6.7445 6.7445 7.5722 7.5722 7.5754 7.5754 7.9481 7.9481 7.9612 7.9612 8.2254 8.2254 8.2499 8.2499 8.9596 8.9596 8.9823 8.9823 9.3840 9.3840 9.4321 9.4321 k = 0.5000-0.0000 0.2176 ( 4432 PWs) bands (ev): -0.0731 -0.0731 -0.0683 -0.0683 1.2205 1.2205 1.2444 1.2444 3.6615 3.6615 3.7576 3.7576 5.6276 5.6276 5.7159 5.7159 6.2103 6.2103 6.3192 6.3192 6.6749 6.6749 6.7442 6.7442 7.5712 7.5712 7.5753 7.5753 7.9378 7.9378 7.9448 7.9448 8.2249 8.2249 8.2442 8.2442 8.9635 8.9635 8.9840 8.9840 9.3991 9.3991 9.4444 9.4444 k = 0.5000-0.0000 0.2077 ( 4424 PWs) bands (ev): -0.0787 -0.0787 -0.0740 -0.0740 1.2300 1.2300 1.2538 1.2538 3.6657 3.6657 3.7609 3.7609 5.6147 5.6147 5.7040 5.7040 6.2146 6.2146 6.3287 6.3287 6.6794 6.6794 6.7439 6.7439 7.5689 7.5689 7.5747 7.5747 7.9184 7.9184 7.9205 7.9205 8.2254 8.2254 8.2372 8.2372 8.9690 8.9690 8.9863 8.9863 9.4231 9.4231 9.4641 9.4641 k = 0.5000-0.0000 0.1978 ( 4432 PWs) bands (ev): -0.0864 -0.0864 -0.0817 -0.0817 1.2431 1.2431 1.2667 1.2667 3.6716 3.6716 3.7654 3.7654 5.5972 5.5972 5.6877 5.6877 6.2203 6.2203 6.3411 6.3411 6.6855 6.6855 6.7433 6.7433 7.5640 7.5640 7.5726 7.5726 7.8838 7.8838 7.8967 7.8967 8.2277 8.2277 8.2315 8.2315 8.9752 8.9752 8.9889 8.9889 9.4545 9.4545 9.4902 9.4902 k = 0.5000-0.0000 0.1879 ( 4430 PWs) bands (ev): -0.0958 -0.0958 -0.0913 -0.0913 1.2593 1.2593 1.2826 1.2826 3.6792 3.6792 3.7714 3.7714 5.5756 5.5756 5.6674 5.6674 6.2273 6.2273 6.3561 6.3561 6.6930 6.6930 6.7426 6.7426 7.5550 7.5550 7.5673 7.5673 7.8446 7.8446 7.8686 7.8686 8.2290 8.2290 8.2326 8.2326 8.9815 8.9815 8.9916 8.9916 9.4918 9.4918 9.5217 9.5217 k = 0.5000-0.0000 0.1780 ( 4432 PWs) bands (ev): -0.1068 -0.1068 -0.1023 -0.1023 1.2783 1.2783 1.3013 1.3013 3.6887 3.6887 3.7788 3.7788 5.5506 5.5506 5.6433 5.6433 6.2353 6.2353 6.3730 6.3730 6.7015 6.7015 6.7416 6.7416 7.5393 7.5393 7.5559 7.5559 7.8056 7.8056 7.8400 7.8400 8.2304 8.2304 8.2401 8.2401 8.9872 8.9872 8.9940 8.9940 9.5332 9.5332 9.5571 9.5571 k = 0.5000-0.0000 0.1681 ( 4430 PWs) bands (ev): -0.1189 -0.1189 -0.1146 -0.1146 1.2997 1.2997 1.3223 1.3223 3.7000 3.7000 3.7877 3.7877 5.5225 5.5225 5.6159 5.6159 6.2439 6.2439 6.3911 6.3911 6.7110 6.7110 6.7405 6.7405 7.5144 7.5144 7.5346 7.5346 7.7727 7.7727 7.8152 7.8152 8.2359 8.2359 8.2500 8.2500 8.9923 8.9923 8.9962 8.9962 9.5773 9.5773 9.5954 9.5954 k = 0.5000-0.0000 0.1582 ( 4422 PWs) bands (ev): -0.1320 -0.1320 -0.1278 -0.1278 1.3230 1.3230 1.3451 1.3451 3.7131 3.7131 3.7980 3.7980 5.4918 5.4918 5.5853 5.5853 6.2531 6.2531 6.4100 6.4100 6.7210 6.7210 6.7391 6.7391 7.4790 7.4790 7.5007 7.5007 7.7506 7.7506 7.7974 7.7974 8.2450 8.2450 8.2620 8.2620 8.9965 8.9965 8.9982 8.9982 9.6229 9.6229 9.6355 9.6355 k = 0.5000-0.0000 0.1483 ( 4418 PWs) bands (ev): -0.1457 -0.1457 -0.1417 -0.1417 1.3478 1.3478 1.3693 1.3693 3.7282 3.7282 3.8100 3.8100 5.4589 5.4589 5.5519 5.5519 6.2626 6.2626 6.4289 6.4289 6.7314 6.7314 6.7376 6.7376 7.4340 7.4340 7.4552 7.4552 7.7399 7.7399 7.7875 7.7875 8.2570 8.2570 8.2757 8.2757 8.9999 8.9999 9.0000 9.0000 9.6692 9.6692 9.6766 9.6766 k = 0.5000-0.0000 0.1385 ( 4426 PWs) bands (ev): -0.1597 -0.1597 -0.1559 -0.1559 1.3736 1.3736 1.3944 1.3944 3.7451 3.7451 3.8234 3.8234 5.4243 5.4243 5.5161 5.5161 6.2722 6.2722 6.4473 6.4473 6.7360 6.7360 6.7419 6.7419 7.3820 7.3820 7.4020 7.4020 7.7380 7.7380 7.7844 7.7844 8.2713 8.2713 8.2908 8.2908 9.0016 9.0016 9.0029 9.0029 9.7153 9.7153 9.7181 9.7181 k = 0.5000-0.0000 0.1286 ( 4430 PWs) bands (ev): -0.1738 -0.1738 -0.1702 -0.1702 1.3999 1.3999 1.4199 1.4199 3.7640 3.7640 3.8384 3.8384 5.3882 5.3882 5.4779 5.4779 6.2818 6.2818 6.4646 6.4646 6.7344 6.7344 6.7524 6.7524 7.3264 7.3264 7.3451 7.3451 7.7419 7.7419 7.7864 7.7864 8.2875 8.2875 8.3068 8.3068 9.0032 9.0032 9.0052 9.0052 9.7596 9.7596 9.7610 9.7610 k = 0.5000-0.0000 0.1187 ( 4434 PWs) bands (ev): -0.1877 -0.1877 -0.1843 -0.1843 1.4263 1.4263 1.4454 1.4454 3.7846 3.7846 3.8549 3.8549 5.3510 5.3510 5.4379 5.4379 6.2911 6.2911 6.4800 6.4800 6.7332 6.7332 6.7627 6.7627 7.2697 7.2697 7.2875 7.2875 7.7497 7.7497 7.7919 7.7919 8.3048 8.3048 8.3234 8.3234 9.0047 9.0047 9.0071 9.0071 9.8008 9.8008 9.8058 9.8058 k = 0.5000-0.0000 0.1088 ( 4430 PWs) bands (ev): -0.2012 -0.2012 -0.1980 -0.1980 1.4523 1.4523 1.4704 1.4704 3.8070 3.8070 3.8727 3.8727 5.3131 5.3131 5.3963 5.3963 6.3002 6.3002 6.4929 6.4929 6.7326 6.7326 6.7728 6.7728 7.2142 7.2142 7.2313 7.2313 7.7599 7.7599 7.7997 7.7997 8.3229 8.3229 8.3403 8.3403 9.0062 9.0062 9.0088 9.0088 9.8415 9.8415 9.8496 9.8496 k = 0.5000-0.0000 0.0989 ( 4426 PWs) bands (ev): -0.2141 -0.2141 -0.2112 -0.2112 1.4777 1.4777 1.4946 1.4946 3.8309 3.8309 3.8918 3.8918 5.2749 5.2749 5.3536 5.3536 6.3090 6.3090 6.5022 6.5022 6.7332 6.7332 6.7826 6.7826 7.1614 7.1614 7.1777 7.1777 7.7716 7.7716 7.8088 7.8088 8.3413 8.3413 8.3572 8.3572 9.0077 9.0077 9.0101 9.0101 9.8817 9.8817 9.8923 9.8923 k = 0.5000-0.0000 0.0890 ( 4422 PWs) bands (ev): -0.2262 -0.2262 -0.2236 -0.2236 1.5019 1.5019 1.5175 1.5175 3.8560 3.8560 3.9117 3.9117 5.2369 5.2369 5.3103 5.3103 6.3175 6.3175 6.5074 6.5074 6.7354 6.7354 6.7919 6.7919 7.1126 7.1126 7.1275 7.1275 7.7842 7.7842 7.8185 7.8185 8.3594 8.3594 8.3735 8.3735 9.0092 9.0092 9.0114 9.0114 9.9213 9.9213 9.9338 9.9338 k = 0.5000-0.0000 0.0791 ( 4422 PWs) bands (ev): -0.2374 -0.2374 -0.2351 -0.2351 1.5246 1.5246 1.5389 1.5389 3.8820 3.8820 3.9323 3.9323 5.1997 5.1997 5.2669 5.2669 6.3257 6.3257 6.5079 6.5079 6.7398 6.7398 6.8009 6.8009 7.0685 7.0685 7.0814 7.0814 7.7970 7.7970 7.8284 7.8284 8.3768 8.3768 8.3890 8.3890 9.0107 9.0107 9.0124 9.0124 9.9601 9.9601 9.9740 9.9740 k = 0.5000-0.0000 0.0692 ( 4422 PWs) bands (ev): -0.2476 -0.2476 -0.2455 -0.2455 1.5455 1.5455 1.5583 1.5583 3.9083 3.9083 3.9529 3.9529 5.1639 5.1639 5.2242 5.2242 6.3339 6.3339 6.5037 6.5037 6.7464 6.7464 6.8096 6.8096 7.0297 7.0297 7.0395 7.0395 7.8098 7.8098 7.8379 7.8379 8.3931 8.3931 8.4035 8.4035 9.0121 9.0121 9.0135 9.0135 9.9979 9.9979 10.0125 10.0125 k = 0.5000-0.0000 0.0593 ( 4436 PWs) bands (ev): -0.2566 -0.2566 -0.2548 -0.2548 1.5644 1.5644 1.5756 1.5756 3.9344 3.9344 3.9731 3.9731 5.1303 5.1303 5.1832 5.1832 6.3421 6.3421 6.4952 6.4952 6.7552 6.7552 6.8180 6.8180 6.9961 6.9961 7.0019 7.0019 7.8220 7.8220 7.8466 7.8466 8.4080 8.4080 8.4165 8.4165 9.0134 9.0134 9.0144 9.0144 10.0344 10.0344 10.0491 10.0491 k = 0.5000-0.0000 0.0494 ( 4436 PWs) bands (ev): -0.2644 -0.2644 -0.2629 -0.2629 1.5810 1.5810 1.5904 1.5904 3.9594 3.9594 3.9919 3.9919 5.0999 5.0999 5.1448 5.1448 6.3507 6.3507 6.4832 6.4832 6.7660 6.7660 6.8261 6.8261 6.9675 6.9675 6.9683 6.9683 7.8335 7.8335 7.8544 7.8544 8.4211 8.4211 8.4279 8.4279 9.0147 9.0147 9.0153 9.0153 10.0691 10.0691 10.0831 10.0831 k = 0.5000-0.0000 0.0396 ( 4432 PWs) bands (ev): -0.2708 -0.2708 -0.2696 -0.2696 1.5950 1.5950 1.6027 1.6027 3.9825 3.9825 4.0087 4.0087 5.0736 5.0736 5.1101 5.1101 6.3599 6.3599 6.4689 6.4689 6.7783 6.7783 6.8341 6.8341 6.9388 6.9388 6.9434 6.9434 7.8437 7.8437 7.8607 7.8607 8.4323 8.4323 8.4374 8.4374 9.0158 9.0158 9.0161 9.0161 10.1010 10.1010 10.1137 10.1137 k = 0.5000-0.0000 0.0297 ( 4432 PWs) bands (ev): -0.2758 -0.2758 -0.2749 -0.2749 1.6063 1.6063 1.6121 1.6121 4.0026 4.0026 4.0224 4.0224 5.0527 5.0527 5.0804 5.0804 6.3699 6.3699 6.4533 6.4533 6.7920 6.7920 6.8417 6.8417 6.9131 6.9131 6.9233 6.9233 7.8524 7.8524 7.8653 7.8653 8.4413 8.4413 8.4449 8.4449 9.0168 9.0168 9.0169 9.0169 10.1290 10.1290 10.1396 10.1396 k = 0.5000-0.0000 0.0198 ( 4442 PWs) bands (ev): -0.2794 -0.2794 -0.2788 -0.2788 1.6148 1.6148 1.6187 1.6187 4.0189 4.0189 4.0321 4.0321 5.0382 5.0382 5.0568 5.0568 6.3810 6.3810 6.4373 6.4373 6.8066 6.8066 6.8480 6.8480 6.8921 6.8921 6.9066 6.9066 7.8595 7.8595 7.8682 7.8682 8.4479 8.4479 8.4502 8.4502 9.0174 9.0174 9.0174 9.0174 10.1515 10.1515 10.1591 10.1591 k = 0.5000-0.0000 0.0099 ( 4446 PWs) bands (ev): -0.2815 -0.2815 -0.2812 -0.2812 1.6203 1.6203 1.6222 1.6222 4.0303 4.0303 4.0370 4.0370 5.0309 5.0309 5.0403 5.0403 6.3934 6.3934 6.4217 6.4217 6.8221 6.8221 6.8483 6.8483 6.8803 6.8803 6.8930 6.8930 7.8647 7.8647 7.8691 7.8691 8.4521 8.4521 8.4532 8.4532 9.0178 9.0178 9.0178 9.0178 10.1669 10.1669 10.1709 10.1709 k = 0.5000-0.0000-0.0000 ( 4454 PWs) bands (ev): -0.2821 -0.2821 -0.2821 -0.2821 1.6228 1.6228 1.6228 1.6228 4.0364 4.0364 4.0364 4.0364 5.0315 5.0315 5.0315 5.0315 6.4070 6.4070 6.4070 6.4070 6.8373 6.8373 6.8373 6.8373 6.8829 6.8829 6.8829 6.8829 7.8679 7.8679 7.8679 7.8679 8.4539 8.4539 8.4539 8.4539 9.0179 9.0179 9.0179 9.0179 10.1735 10.1735 10.1735 10.1735 k = 0.5000 0.2741-0.0000 ( 4460 PWs) bands (ev): -0.0663 -0.0663 -0.0596 -0.0596 1.3774 1.3774 1.3791 1.3791 4.3027 4.3027 4.3763 4.3763 4.3860 4.3860 4.3872 4.3872 6.1072 6.1072 6.1739 6.1739 6.5635 6.5635 6.5912 6.5912 6.8692 6.8692 7.0464 7.0464 8.0285 8.0285 8.0503 8.0503 8.3890 8.3890 8.4000 8.4000 9.1343 9.1343 9.1557 9.1557 9.8984 9.8984 9.9536 9.9536 k = 0.5000 0.2741 0.0099 ( 4464 PWs) bands (ev): -0.0658 -0.0658 -0.0590 -0.0590 1.3774 1.3774 1.3791 1.3791 4.2982 4.2982 4.3721 4.3721 4.3832 4.3832 4.3852 4.3852 6.1145 6.1145 6.1805 6.1805 6.5644 6.5644 6.5918 6.5918 6.8700 6.8700 7.0465 7.0465 8.0292 8.0292 8.0507 8.0507 8.3904 8.3904 8.4011 8.4011 9.1341 9.1341 9.1557 9.1557 9.9000 9.9000 9.9550 9.9550 k = 0.5000 0.2741 0.0198 ( 4464 PWs) bands (ev): -0.0642 -0.0642 -0.0575 -0.0575 1.3773 1.3773 1.3791 1.3791 4.2852 4.2852 4.3589 4.3589 4.3756 4.3756 4.3791 4.3791 6.1361 6.1361 6.2002 6.2002 6.5672 6.5672 6.5937 6.5937 6.8723 6.8723 7.0468 7.0468 8.0314 8.0314 8.0520 8.0520 8.3947 8.3947 8.4045 8.4045 9.1334 9.1334 9.1555 9.1555 9.9049 9.9049 9.9594 9.9594 k = 0.5000 0.2741 0.0297 ( 4456 PWs) bands (ev): -0.0615 -0.0615 -0.0548 -0.0548 1.3772 1.3772 1.3790 1.3790 4.2643 4.2643 4.3369 4.3369 4.3641 4.3641 4.3690 4.3690 6.1708 6.1708 6.2319 6.2319 6.5721 6.5721 6.5969 6.5969 6.8761 6.8761 7.0473 7.0473 8.0350 8.0350 8.0541 8.0541 8.4017 8.4017 8.4103 8.4103 9.1324 9.1324 9.1554 9.1554 9.9131 9.9131 9.9667 9.9667 k = 0.5000 0.2741 0.0396 ( 4452 PWs) bands (ev): -0.0579 -0.0579 -0.0512 -0.0512 1.3770 1.3770 1.3789 1.3789 4.2368 4.2368 4.3076 4.3076 4.3487 4.3487 4.3552 4.3552 6.2173 6.2173 6.2739 6.2739 6.5796 6.5796 6.6017 6.6017 6.8812 6.8812 7.0479 7.0479 8.0398 8.0398 8.0569 8.0569 8.4115 8.4115 8.4182 8.4182 9.1309 9.1309 9.1552 9.1552 9.9247 9.9247 9.9771 9.9771 k = 0.5000 0.2741 0.0494 ( 4444 PWs) bands (ev): -0.0532 -0.0532 -0.0467 -0.0467 1.3767 1.3767 1.3787 1.3787 4.2039 4.2039 4.2724 4.2724 4.3298 4.3298 4.3377 4.3377 6.2734 6.2734 6.3239 6.3239 6.5907 6.5907 6.6081 6.6081 6.8875 6.8875 7.0484 7.0484 8.0454 8.0454 8.0603 8.0603 8.4240 8.4240 8.4285 8.4285 9.1290 9.1290 9.1549 9.1549 9.9400 9.9400 9.9907 9.9907 k = 0.5000 0.2741 0.0593 ( 4448 PWs) bands (ev): -0.0477 -0.0477 -0.0413 -0.0413 1.3763 1.3763 1.3784 1.3784 4.1671 4.1671 4.2331 4.2331 4.3075 4.3075 4.3170 4.3170 6.3369 6.3369 6.3783 6.3783 6.6070 6.6070 6.6168 6.6168 6.8947 6.8947 7.0489 7.0489 8.0514 8.0514 8.0639 8.0639 8.4392 8.4392 8.4409 8.4409 9.1267 9.1267 9.1545 9.1545 9.9591 9.9591 10.0076 10.0076 k = 0.5000 0.2741 0.0692 ( 4448 PWs) bands (ev): -0.0413 -0.0413 -0.0350 -0.0350 1.3758 1.3758 1.3780 1.3780 4.1275 4.1275 4.1910 4.1910 4.2823 4.2823 4.2933 4.2933 6.4046 6.4046 6.4321 6.4321 6.6289 6.6289 6.6320 6.6320 6.9029 6.9029 7.0493 7.0493 8.0578 8.0578 8.0678 8.0678 8.4554 8.4554 8.4570 8.4570 9.1238 9.1238 9.1540 9.1540 9.9822 9.9822 10.0281 10.0281 k = 0.5000 0.2741 0.0791 ( 4452 PWs) bands (ev): -0.0342 -0.0342 -0.0280 -0.0280 1.3751 1.3751 1.3774 1.3774 4.0866 4.0866 4.1475 4.1475 4.2546 4.2546 4.2673 4.2673 6.4719 6.4719 6.4791 6.4791 6.6468 6.6468 6.6702 6.6702 6.9123 6.9123 7.0498 7.0498 8.0639 8.0639 8.0717 8.0717 8.4719 8.4719 8.4771 8.4771 9.1204 9.1204 9.1532 9.1532 10.0095 10.0095 10.0523 10.0523 k = 0.5000 0.2741 0.0890 ( 4436 PWs) bands (ev): -0.0264 -0.0264 -0.0204 -0.0204 1.3742 1.3742 1.3766 1.3766 4.0452 4.0452 4.1038 4.1038 4.2249 4.2249 4.2392 4.2392 6.5149 6.5149 6.5310 6.5310 6.6760 6.6760 6.7240 6.7240 6.9239 6.9239 7.0507 7.0507 8.0698 8.0698 8.0756 8.0756 8.4901 8.4901 8.4994 8.4994 9.1164 9.1164 9.1522 9.1522 10.0412 10.0412 10.0805 10.0805 k = 0.5000 0.2741 0.0989 ( 4440 PWs) bands (ev): -0.0180 -0.0180 -0.0122 -0.0122 1.3731 1.3731 1.3757 1.3757 4.0045 4.0045 4.0607 4.0607 4.1937 4.1937 4.2095 4.2095 6.5408 6.5408 6.5737 6.5737 6.7206 6.7206 6.7893 6.7893 6.9396 6.9396 7.0534 7.0534 8.0750 8.0750 8.0791 8.0791 8.5097 8.5097 8.5236 8.5236 9.1118 9.1118 9.1508 9.1508 10.0773 10.0773 10.1125 10.1125 k = 0.5000 0.2741 0.1088 ( 4436 PWs) bands (ev): -0.0092 -0.0092 -0.0036 -0.0036 1.3718 1.3718 1.3745 1.3745 3.9651 3.9651 4.0190 4.0190 4.1614 4.1614 4.1787 4.1787 6.5605 6.5605 6.6010 6.6010 6.7737 6.7737 6.8581 6.8581 6.9643 6.9643 7.0608 7.0608 8.0793 8.0793 8.0822 8.0822 8.5306 8.5306 8.5494 8.5494 9.1064 9.1064 9.1489 9.1489 10.1181 10.1181 10.1487 10.1487 k = 0.5000 0.2741 0.1187 ( 4436 PWs) bands (ev): -0.0001 -0.0001 0.0052 0.0052 1.3703 1.3703 1.3730 1.3730 3.9277 3.9277 3.9794 3.9794 4.1286 4.1286 4.1473 4.1473 6.5770 6.5770 6.6200 6.6200 6.8193 6.8193 6.9183 6.9183 7.0053 7.0053 7.0808 7.0808 8.0826 8.0826 8.0847 8.0847 8.5524 8.5524 8.5765 8.5765 9.1003 9.1003 9.1464 9.1464 10.1632 10.1632 10.1888 10.1888 k = 0.5000 0.2741 0.1286 ( 4444 PWs) bands (ev): 0.0091 0.0091 0.0142 0.0142 1.3687 1.3687 1.3714 1.3714 3.8928 3.8928 3.9424 3.9424 4.0958 4.0958 4.1156 4.1156 6.5917 6.5917 6.6353 6.6353 6.8486 6.8486 6.9554 6.9554 7.0656 7.0656 7.1251 7.1251 8.0846 8.0846 8.0864 8.0864 8.5749 8.5749 8.6045 8.6045 9.0934 9.0934 9.1432 9.1432 10.2125 10.2125 10.2328 10.2328 k = 0.5000 0.2741 0.1385 ( 4440 PWs) bands (ev): 0.0183 0.0183 0.0231 0.0231 1.3668 1.3668 1.3695 1.3695 3.8610 3.8610 3.9083 3.9083 4.0634 4.0634 4.0842 4.0842 6.6056 6.6056 6.6489 6.6489 6.8646 6.8646 6.9695 6.9695 7.1392 7.1392 7.1917 7.1917 8.0853 8.0853 8.0873 8.0873 8.5980 8.5980 8.6333 8.6333 9.0856 9.0856 9.1390 9.1390 10.2656 10.2656 10.2803 10.2803 k = 0.5000 0.2741 0.1483 ( 4448 PWs) bands (ev): 0.0274 0.0274 0.0318 0.0318 1.3649 1.3649 1.3675 1.3675 3.8325 3.8325 3.8775 3.8775 4.0320 4.0320 4.0535 4.0535 6.6189 6.6189 6.6613 6.6613 6.8730 6.8730 6.9714 6.9714 7.2183 7.2183 7.2679 7.2679 8.0845 8.0845 8.0871 8.0871 8.6214 8.6214 8.6624 8.6624 9.0770 9.0770 9.1338 9.1338 10.3217 10.3217 10.3308 10.3308 k = 0.5000 0.2741 0.1582 ( 4456 PWs) bands (ev): 0.0362 0.0362 0.0402 0.0402 1.3628 1.3628 1.3654 1.3654 3.8076 3.8076 3.8500 3.8500 4.0020 4.0020 4.0239 4.0239 6.6318 6.6318 6.6730 6.6730 6.8773 6.8773 6.9678 6.9678 7.2982 7.2982 7.3458 7.3458 8.0822 8.0822 8.0858 8.0858 8.6452 8.6452 8.6915 8.6915 9.0673 9.0673 9.1272 9.1272 10.3799 10.3799 10.3835 10.3835 k = 0.5000 0.2741 0.1681 ( 4460 PWs) bands (ev): 0.0444 0.0444 0.0480 0.0480 1.3608 1.3608 1.3632 1.3632 3.7865 3.7865 3.8260 3.8260 3.9740 3.9740 3.9958 3.9958 6.6444 6.6444 6.6839 6.6839 6.8793 6.8793 6.9613 6.9613 7.3758 7.3758 7.4215 7.4215 8.0785 8.0785 8.0833 8.0833 8.6692 8.6692 8.7202 8.7202 9.0569 9.0569 9.1192 9.1192 10.4375 10.4375 10.4388 10.4388 k = 0.5000 0.2741 0.1780 ( 4448 PWs) bands (ev): 0.0520 0.0520 0.0552 0.0552 1.3589 1.3589 1.3610 1.3610 3.7692 3.7692 3.8053 3.8053 3.9485 3.9485 3.9697 3.9697 6.6566 6.6566 6.6936 6.6936 6.8801 6.8801 6.9532 6.9532 7.4493 7.4493 7.4924 7.4924 8.0733 8.0733 8.0794 8.0794 8.6936 8.6936 8.7481 8.7481 9.0460 9.0460 9.1096 9.1096 10.4913 10.4913 10.4969 10.4969 k = 0.5000 0.2741 0.1879 ( 4440 PWs) bands (ev): 0.0588 0.0588 0.0615 0.0615 1.3571 1.3571 1.3589 1.3589 3.7557 3.7557 3.7879 3.7879 3.9261 3.9261 3.9460 3.9460 6.6683 6.6683 6.7021 6.7021 6.8807 6.8807 6.9441 6.9441 7.5168 7.5168 7.5565 7.5565 8.0668 8.0668 8.0741 8.0741 8.7180 8.7180 8.7742 8.7742 9.0351 9.0351 9.0983 9.0983 10.5433 10.5433 10.5521 10.5521 k = 0.5000 0.2741 0.1978 ( 4448 PWs) bands (ev): 0.0647 0.0647 0.0669 0.0669 1.3555 1.3555 1.3571 1.3571 3.7459 3.7459 3.7734 3.7734 3.9074 3.9074 3.9250 3.9250 6.6793 6.6793 6.7086 6.7086 6.8816 6.8816 6.9345 6.9345 7.5769 7.5769 7.6121 7.6121 8.0595 8.0595 8.0676 8.0676 8.7421 8.7421 8.7972 8.7972 9.0250 9.0250 9.0853 9.0853 10.5914 10.5914 10.6019 10.6019 k = 0.5000 0.2741 0.2077 ( 4460 PWs) bands (ev): 0.0694 0.0694 0.0711 0.0711 1.3542 1.3542 1.3554 1.3554 3.7397 3.7397 3.7615 3.7615 3.8929 3.8929 3.9074 3.9074 6.6894 6.6894 6.7131 6.7131 6.8835 6.8835 6.9246 6.9246 7.6280 7.6280 7.6571 7.6571 8.0522 8.0522 8.0602 8.0602 8.7656 8.7656 8.8153 8.8153 9.0175 9.0175 9.0708 9.0708 10.6333 10.6333 10.6437 10.6437 k = 0.5000 0.2741 0.2176 ( 4468 PWs) bands (ev): 0.0730 0.0730 0.0741 0.0741 1.3533 1.3533 1.3542 1.3542 3.7368 3.7368 3.7520 3.7520 3.8830 3.8830 3.8934 3.8934 6.6983 6.6983 6.7150 6.7150 6.8868 6.8868 6.9151 6.9151 7.6686 7.6686 7.6897 7.6897 8.0460 8.0460 8.0527 8.0527 8.7875 8.7875 8.8262 8.8262 9.0146 9.0146 9.0555 9.0555 10.6666 10.6666 10.6750 10.6750 k = 0.5000 0.2741 0.2275 ( 4464 PWs) bands (ev): 0.0753 0.0753 0.0758 0.0758 1.3529 1.3529 1.3533 1.3533 3.7368 3.7368 3.7447 3.7447 3.8782 3.8782 3.8836 3.8836 6.7057 6.7057 6.7143 6.7143 6.8917 6.8917 6.9062 6.9062 7.6966 7.6966 7.7078 7.7078 8.0425 8.0425 8.0464 8.0464 8.8065 8.8065 8.8280 8.8280 9.0179 9.0179 9.0404 9.0404 10.6888 10.6888 10.6935 10.6935 k = 0.5000 0.2741 0.2373 ( 4464 PWs) bands (ev): 0.0762 0.0762 0.0762 0.0762 1.3529 1.3529 1.3529 1.3529 3.7396 3.7396 3.7396 3.7396 3.8785 3.8785 3.8785 3.8785 6.7111 6.7111 6.7111 6.7111 6.8983 6.8983 6.8983 6.8983 7.7101 7.7101 7.7101 7.7101 8.0426 8.0426 8.0426 8.0426 8.8208 8.8208 8.8208 8.8208 9.0271 9.0271 9.0271 9.0271 10.6981 10.6981 10.6982 10.6982 Writing output data file FeSb2.save init_run : 0.23s CPU 0.38s WALL ( 1 calls) electrons : 180.16s CPU 182.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 180.15s CPU 182.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 416 calls) cegterg : 162.08s CPU 164.11s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 95.10s CPU 96.95s WALL ( 9768 calls) s_psi : 9.56s CPU 9.69s WALL ( 9768 calls) g_psi : 0.33s CPU 0.31s WALL ( 8753 calls) cdiaghg : 51.35s CPU 51.95s WALL ( 9169 calls) cegterg:over : 6.94s CPU 6.85s WALL ( 8753 calls) cegterg:upda : 6.07s CPU 6.14s WALL ( 8753 calls) cegterg:last : 3.40s CPU 3.47s WALL ( 1770 calls) cdiaghg:chol : 3.07s CPU 2.99s WALL ( 9169 calls) cdiaghg:inve : 1.68s CPU 1.63s WALL ( 9169 calls) cdiaghg:para : 3.21s CPU 3.10s WALL ( 18338 calls) Called by h_psi: h_psi:vloc : 74.56s CPU 76.01s WALL ( 9768 calls) h_psi:vnl : 20.24s CPU 20.64s WALL ( 9768 calls) add_vuspsi : 11.18s CPU 11.35s WALL ( 9768 calls) General routines calbec : 9.02s CPU 9.26s WALL ( 9768 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.58s CPU 71.92s WALL ( 954120 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.24s WALL ( 832 calls) Parallel routines fft_scatter : 28.48s CPU 28.84s WALL ( 954143 calls) PWSCF : 3m18.44s CPU 3m34.48s WALL This run was terminated on: 18:21:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=