Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:15 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: ./ZrSi.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 31 9 1245 1245 195 Max 32 32 10 1250 1250 200 Sum 1141 1141 329 44911 44911 7113 bravais-lattice index = 14 lattice parameter (alat) = 7.1394 a.u. unit-cell volume = 939.9492 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.139385 celldm(2)= 1.400476 celldm(3)= 1.844362 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 1.400476 0.000000 ) a(3) = ( 0.000000 0.000000 1.844362 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.714043 -0.000000 ) b(3) = ( 0.000000 0.000000 0.542193 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0025510 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0025510 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0025510 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0025510 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0025510 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0025510 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0025510 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0025510 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0025510 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0025510 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0025510 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0025510 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0025510 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0025510 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025510 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0025510 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0025510 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0025510 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0025510 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0025510 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0025510 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0025510 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0025510 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0025510 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0025510 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0025510 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0025510 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0025510 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0025510 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0025510 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0025510 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0025510 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0025510 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0025510 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0025510 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025510 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025510 k( 45) = ( 0.5000000 0.0119007 -0.0000000), wk = 0.0025510 k( 46) = ( 0.5000000 0.0238014 -0.0000000), wk = 0.0025510 k( 47) = ( 0.5000000 0.0357021 -0.0000000), wk = 0.0025510 k( 48) = ( 0.5000000 0.0476028 -0.0000000), wk = 0.0025510 k( 49) = ( 0.5000000 0.0595036 -0.0000000), wk = 0.0025510 k( 50) = ( 0.5000000 0.0714043 -0.0000000), wk = 0.0025510 k( 51) = ( 0.5000000 0.0833050 -0.0000000), wk = 0.0025510 k( 52) = ( 0.5000000 0.0952057 -0.0000000), wk = 0.0025510 k( 53) = ( 0.5000000 0.1071064 -0.0000000), wk = 0.0025510 k( 54) = ( 0.5000000 0.1190071 -0.0000000), wk = 0.0025510 k( 55) = ( 0.5000000 0.1309078 -0.0000000), wk = 0.0025510 k( 56) = ( 0.5000000 0.1428085 -0.0000000), wk = 0.0025510 k( 57) = ( 0.5000000 0.1547093 -0.0000000), wk = 0.0025510 k( 58) = ( 0.5000000 0.1666100 -0.0000000), wk = 0.0025510 k( 59) = ( 0.5000000 0.1785107 -0.0000000), wk = 0.0025510 k( 60) = ( 0.5000000 0.1904114 -0.0000000), wk = 0.0025510 k( 61) = ( 0.5000000 0.2023121 -0.0000000), wk = 0.0025510 k( 62) = ( 0.5000000 0.2142128 -0.0000000), wk = 0.0025510 k( 63) = ( 0.5000000 0.2261135 -0.0000000), wk = 0.0025510 k( 64) = ( 0.5000000 0.2380142 -0.0000000), wk = 0.0025510 k( 65) = ( 0.5000000 0.2499149 -0.0000000), wk = 0.0025510 k( 66) = ( 0.5000000 0.2618157 -0.0000000), wk = 0.0025510 k( 67) = ( 0.5000000 0.2737164 -0.0000000), wk = 0.0025510 k( 68) = ( 0.5000000 0.2856171 -0.0000000), wk = 0.0025510 k( 69) = ( 0.5000000 0.2975178 -0.0000000), wk = 0.0025510 k( 70) = ( 0.5000000 0.3094185 -0.0000000), wk = 0.0025510 k( 71) = ( 0.5000000 0.3213192 -0.0000000), wk = 0.0025510 k( 72) = ( 0.5000000 0.3332199 -0.0000000), wk = 0.0025510 k( 73) = ( 0.5000000 0.3451206 -0.0000000), wk = 0.0025510 k( 74) = ( 0.5000000 0.3570214 -0.0000000), wk = 0.0025510 k( 75) = ( 0.5000000 0.3570214 -0.0000000), wk = 0.0025510 k( 76) = ( 0.4880952 0.3570214 -0.0000000), wk = 0.0025510 k( 77) = ( 0.4761905 0.3570214 -0.0000000), wk = 0.0025510 k( 78) = ( 0.4642857 0.3570214 -0.0000000), wk = 0.0025510 k( 79) = ( 0.4523810 0.3570214 -0.0000000), wk = 0.0025510 k( 80) = ( 0.4404762 0.3570214 -0.0000000), wk = 0.0025510 k( 81) = ( 0.4285714 0.3570214 -0.0000000), wk = 0.0025510 k( 82) = ( 0.4166667 0.3570214 -0.0000000), wk = 0.0025510 k( 83) = ( 0.4047619 0.3570214 -0.0000000), wk = 0.0025510 k( 84) = ( 0.3928571 0.3570214 -0.0000000), wk = 0.0025510 k( 85) = ( 0.3809524 0.3570214 -0.0000000), wk = 0.0025510 k( 86) = ( 0.3690476 0.3570214 -0.0000000), wk = 0.0025510 k( 87) = ( 0.3571429 0.3570214 -0.0000000), wk = 0.0025510 k( 88) = ( 0.3452381 0.3570214 -0.0000000), wk = 0.0025510 k( 89) = ( 0.3333333 0.3570214 -0.0000000), wk = 0.0025510 k( 90) = ( 0.3214286 0.3570214 -0.0000000), wk = 0.0025510 k( 91) = ( 0.3095238 0.3570214 -0.0000000), wk = 0.0025510 k( 92) = ( 0.2976190 0.3570214 -0.0000000), wk = 0.0025510 k( 93) = ( 0.2857143 0.3570214 -0.0000000), wk = 0.0025510 k( 94) = ( 0.2738095 0.3570214 -0.0000000), wk = 0.0025510 k( 95) = ( 0.2619048 0.3570214 -0.0000000), wk = 0.0025510 k( 96) = ( 0.2500000 0.3570214 -0.0000000), wk = 0.0025510 k( 97) = ( 0.2380952 0.3570214 -0.0000000), wk = 0.0025510 k( 98) = ( 0.2261905 0.3570214 -0.0000000), wk = 0.0025510 k( 99) = ( 0.2142857 0.3570214 -0.0000000), wk = 0.0025510 k( 100) = ( 0.2023810 0.3570214 -0.0000000), wk = 0.0025510 k( 101) = ( 0.1904762 0.3570214 -0.0000000), wk = 0.0025510 k( 102) = ( 0.1785714 0.3570214 -0.0000000), wk = 0.0025510 k( 103) = ( 0.1666667 0.3570214 -0.0000000), wk = 0.0025510 k( 104) = ( 0.1547619 0.3570214 -0.0000000), wk = 0.0025510 k( 105) = ( 0.1428571 0.3570214 -0.0000000), wk = 0.0025510 k( 106) = ( 0.1309524 0.3570214 -0.0000000), wk = 0.0025510 k( 107) = ( 0.1190476 0.3570214 -0.0000000), wk = 0.0025510 k( 108) = ( 0.1071429 0.3570214 -0.0000000), wk = 0.0025510 k( 109) = ( 0.0952381 0.3570214 -0.0000000), wk = 0.0025510 k( 110) = ( 0.0833333 0.3570214 -0.0000000), wk = 0.0025510 k( 111) = ( 0.0714286 0.3570214 -0.0000000), wk = 0.0025510 k( 112) = ( 0.0595238 0.3570214 -0.0000000), wk = 0.0025510 k( 113) = ( 0.0476191 0.3570214 -0.0000000), wk = 0.0025510 k( 114) = ( 0.0357143 0.3570214 -0.0000000), wk = 0.0025510 k( 115) = ( 0.0238095 0.3570214 -0.0000000), wk = 0.0025510 k( 116) = ( 0.0119048 0.3570214 -0.0000000), wk = 0.0025510 k( 117) = ( 0.0000000 0.3570214 -0.0000000), wk = 0.0025510 k( 118) = ( 0.0000000 0.3570214 -0.0000000), wk = 0.0025510 k( 119) = ( 0.0000000 0.3451206 -0.0000000), wk = 0.0025510 k( 120) = ( 0.0000000 0.3332199 -0.0000000), wk = 0.0025510 k( 121) = ( 0.0000000 0.3213192 -0.0000000), wk = 0.0025510 k( 122) = ( 0.0000000 0.3094185 -0.0000000), wk = 0.0025510 k( 123) = ( 0.0000000 0.2975178 -0.0000000), wk = 0.0025510 k( 124) = ( 0.0000000 0.2856171 -0.0000000), wk = 0.0025510 k( 125) = ( 0.0000000 0.2737164 -0.0000000), wk = 0.0025510 k( 126) = ( 0.0000000 0.2618157 -0.0000000), wk = 0.0025510 k( 127) = ( 0.0000000 0.2499149 -0.0000000), wk = 0.0025510 k( 128) = ( 0.0000000 0.2380142 -0.0000000), wk = 0.0025510 k( 129) = ( 0.0000000 0.2261135 -0.0000000), wk = 0.0025510 k( 130) = ( 0.0000000 0.2142128 -0.0000000), wk = 0.0025510 k( 131) = ( 0.0000000 0.2023121 -0.0000000), wk = 0.0025510 k( 132) = ( 0.0000000 0.1904114 -0.0000000), wk = 0.0025510 k( 133) = ( 0.0000000 0.1785107 -0.0000000), wk = 0.0025510 k( 134) = ( 0.0000000 0.1666100 -0.0000000), wk = 0.0025510 k( 135) = ( 0.0000000 0.1547093 -0.0000000), wk = 0.0025510 k( 136) = ( 0.0000000 0.1428085 -0.0000000), wk = 0.0025510 k( 137) = ( 0.0000000 0.1309078 -0.0000000), wk = 0.0025510 k( 138) = ( 0.0000000 0.1190071 -0.0000000), wk = 0.0025510 k( 139) = ( 0.0000000 0.1071064 -0.0000000), wk = 0.0025510 k( 140) = ( 0.0000000 0.0952057 -0.0000000), wk = 0.0025510 k( 141) = ( 0.0000000 0.0833050 -0.0000000), wk = 0.0025510 k( 142) = ( 0.0000000 0.0714043 -0.0000000), wk = 0.0025510 k( 143) = ( 0.0000000 0.0595036 -0.0000000), wk = 0.0025510 k( 144) = ( 0.0000000 0.0476028 -0.0000000), wk = 0.0025510 k( 145) = ( 0.0000000 0.0357021 -0.0000000), wk = 0.0025510 k( 146) = ( 0.0000000 0.0238014 -0.0000000), wk = 0.0025510 k( 147) = ( 0.0000000 0.0119007 -0.0000000), wk = 0.0025510 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 150) = ( 0.0000000 0.0000000 0.0117868), wk = 0.0025510 k( 151) = ( 0.0000000 0.0000000 0.0235736), wk = 0.0025510 k( 152) = ( 0.0000000 0.0000000 0.0353604), wk = 0.0025510 k( 153) = ( 0.0000000 0.0000000 0.0471472), wk = 0.0025510 k( 154) = ( 0.0000000 0.0000000 0.0589340), wk = 0.0025510 k( 155) = ( 0.0000000 0.0000000 0.0707208), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.0825076), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.0942944), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.1060812), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.1178680), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.1296548), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.1414416), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.1532284), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.1650152), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.1768020), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.1885888), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.2003756), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.2121624), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.2239492), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.2357360), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.2475228), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.2593096), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.2710964), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.2710964), wk = 0.0025510 k( 174) = ( 0.0119048 -0.0000000 0.2710964), wk = 0.0025510 k( 175) = ( 0.0238095 -0.0000000 0.2710964), wk = 0.0025510 k( 176) = ( 0.0357143 -0.0000000 0.2710964), wk = 0.0025510 k( 177) = ( 0.0476191 -0.0000000 0.2710964), wk = 0.0025510 k( 178) = ( 0.0595238 -0.0000000 0.2710964), wk = 0.0025510 k( 179) = ( 0.0714286 -0.0000000 0.2710964), wk = 0.0025510 k( 180) = ( 0.0833333 -0.0000000 0.2710964), wk = 0.0025510 k( 181) = ( 0.0952381 -0.0000000 0.2710964), wk = 0.0025510 k( 182) = ( 0.1071429 -0.0000000 0.2710964), wk = 0.0025510 k( 183) = ( 0.1190476 -0.0000000 0.2710964), wk = 0.0025510 k( 184) = ( 0.1309524 -0.0000000 0.2710964), wk = 0.0025510 k( 185) = ( 0.1428571 -0.0000000 0.2710964), wk = 0.0025510 k( 186) = ( 0.1547619 -0.0000000 0.2710964), wk = 0.0025510 k( 187) = ( 0.1666667 -0.0000000 0.2710964), wk = 0.0025510 k( 188) = ( 0.1785714 -0.0000000 0.2710964), wk = 0.0025510 k( 189) = ( 0.1904762 -0.0000000 0.2710964), wk = 0.0025510 k( 190) = ( 0.2023810 -0.0000000 0.2710964), wk = 0.0025510 k( 191) = ( 0.2142857 -0.0000000 0.2710964), wk = 0.0025510 k( 192) = ( 0.2261905 -0.0000000 0.2710964), wk = 0.0025510 k( 193) = ( 0.2380952 -0.0000000 0.2710964), wk = 0.0025510 k( 194) = ( 0.2500000 -0.0000000 0.2710964), wk = 0.0025510 k( 195) = ( 0.2619048 -0.0000000 0.2710964), wk = 0.0025510 k( 196) = ( 0.2738095 -0.0000000 0.2710964), wk = 0.0025510 k( 197) = ( 0.2857143 -0.0000000 0.2710964), wk = 0.0025510 k( 198) = ( 0.2976190 -0.0000000 0.2710964), wk = 0.0025510 k( 199) = ( 0.3095238 -0.0000000 0.2710964), wk = 0.0025510 k( 200) = ( 0.3214286 -0.0000000 0.2710964), wk = 0.0025510 k( 201) = ( 0.3333333 -0.0000000 0.2710964), wk = 0.0025510 k( 202) = ( 0.3452381 -0.0000000 0.2710964), wk = 0.0025510 k( 203) = ( 0.3571429 -0.0000000 0.2710964), wk = 0.0025510 k( 204) = ( 0.3690476 -0.0000000 0.2710964), wk = 0.0025510 k( 205) = ( 0.3809524 -0.0000000 0.2710964), wk = 0.0025510 k( 206) = ( 0.3928571 -0.0000000 0.2710964), wk = 0.0025510 k( 207) = ( 0.4047619 -0.0000000 0.2710964), wk = 0.0025510 k( 208) = ( 0.4166667 -0.0000000 0.2710964), wk = 0.0025510 k( 209) = ( 0.4285714 -0.0000000 0.2710964), wk = 0.0025510 k( 210) = ( 0.4404762 -0.0000000 0.2710964), wk = 0.0025510 k( 211) = ( 0.4523810 -0.0000000 0.2710964), wk = 0.0025510 k( 212) = ( 0.4642857 -0.0000000 0.2710964), wk = 0.0025510 k( 213) = ( 0.4761905 -0.0000000 0.2710964), wk = 0.0025510 k( 214) = ( 0.4880952 -0.0000000 0.2710964), wk = 0.0025510 k( 215) = ( 0.5000000 -0.0000000 0.2710964), wk = 0.0025510 k( 216) = ( 0.5000000 -0.0000000 0.2710964), wk = 0.0025510 k( 217) = ( 0.5000000 0.0119007 0.2710964), wk = 0.0025510 k( 218) = ( 0.5000000 0.0238014 0.2710964), wk = 0.0025510 k( 219) = ( 0.5000000 0.0357021 0.2710964), wk = 0.0025510 k( 220) = ( 0.5000000 0.0476028 0.2710964), wk = 0.0025510 k( 221) = ( 0.5000000 0.0595036 0.2710964), wk = 0.0025510 k( 222) = ( 0.5000000 0.0714043 0.2710964), wk = 0.0025510 k( 223) = ( 0.5000000 0.0833050 0.2710964), wk = 0.0025510 k( 224) = ( 0.5000000 0.0952057 0.2710964), wk = 0.0025510 k( 225) = ( 0.5000000 0.1071064 0.2710964), wk = 0.0025510 k( 226) = ( 0.5000000 0.1190071 0.2710964), wk = 0.0025510 k( 227) = ( 0.5000000 0.1309078 0.2710964), wk = 0.0025510 k( 228) = ( 0.5000000 0.1428085 0.2710964), wk = 0.0025510 k( 229) = ( 0.5000000 0.1547093 0.2710964), wk = 0.0025510 k( 230) = ( 0.5000000 0.1666100 0.2710964), wk = 0.0025510 k( 231) = ( 0.5000000 0.1785107 0.2710964), wk = 0.0025510 k( 232) = ( 0.5000000 0.1904114 0.2710964), wk = 0.0025510 k( 233) = ( 0.5000000 0.2023121 0.2710964), wk = 0.0025510 k( 234) = ( 0.5000000 0.2142128 0.2710964), wk = 0.0025510 k( 235) = ( 0.5000000 0.2261135 0.2710964), wk = 0.0025510 k( 236) = ( 0.5000000 0.2380142 0.2710964), wk = 0.0025510 k( 237) = ( 0.5000000 0.2499149 0.2710964), wk = 0.0025510 k( 238) = ( 0.5000000 0.2618157 0.2710964), wk = 0.0025510 k( 239) = ( 0.5000000 0.2737164 0.2710964), wk = 0.0025510 k( 240) = ( 0.5000000 0.2856171 0.2710964), wk = 0.0025510 k( 241) = ( 0.5000000 0.2975178 0.2710964), wk = 0.0025510 k( 242) = ( 0.5000000 0.3094185 0.2710964), wk = 0.0025510 k( 243) = ( 0.5000000 0.3213192 0.2710964), wk = 0.0025510 k( 244) = ( 0.5000000 0.3332199 0.2710964), wk = 0.0025510 k( 245) = ( 0.5000000 0.3451206 0.2710964), wk = 0.0025510 k( 246) = ( 0.5000000 0.3570214 0.2710964), wk = 0.0025510 k( 247) = ( 0.5000000 0.3570214 0.2710964), wk = 0.0025510 k( 248) = ( 0.4880952 0.3570214 0.2710964), wk = 0.0025510 k( 249) = ( 0.4761905 0.3570214 0.2710964), wk = 0.0025510 k( 250) = ( 0.4642857 0.3570214 0.2710964), wk = 0.0025510 k( 251) = ( 0.4523810 0.3570214 0.2710964), wk = 0.0025510 k( 252) = ( 0.4404762 0.3570214 0.2710964), wk = 0.0025510 k( 253) = ( 0.4285714 0.3570214 0.2710964), wk = 0.0025510 k( 254) = ( 0.4166667 0.3570214 0.2710964), wk = 0.0025510 k( 255) = ( 0.4047619 0.3570214 0.2710964), wk = 0.0025510 k( 256) = ( 0.3928571 0.3570214 0.2710964), wk = 0.0025510 k( 257) = ( 0.3809524 0.3570214 0.2710964), wk = 0.0025510 k( 258) = ( 0.3690476 0.3570214 0.2710964), wk = 0.0025510 k( 259) = ( 0.3571429 0.3570214 0.2710964), wk = 0.0025510 k( 260) = ( 0.3452381 0.3570214 0.2710964), wk = 0.0025510 k( 261) = ( 0.3333333 0.3570214 0.2710964), wk = 0.0025510 k( 262) = ( 0.3214286 0.3570214 0.2710964), wk = 0.0025510 k( 263) = ( 0.3095238 0.3570214 0.2710964), wk = 0.0025510 k( 264) = ( 0.2976190 0.3570214 0.2710964), wk = 0.0025510 k( 265) = ( 0.2857143 0.3570214 0.2710964), wk = 0.0025510 k( 266) = ( 0.2738095 0.3570214 0.2710964), wk = 0.0025510 k( 267) = ( 0.2619048 0.3570214 0.2710964), wk = 0.0025510 k( 268) = ( 0.2500000 0.3570214 0.2710964), wk = 0.0025510 k( 269) = ( 0.2380952 0.3570214 0.2710964), wk = 0.0025510 k( 270) = ( 0.2261905 0.3570214 0.2710964), wk = 0.0025510 k( 271) = ( 0.2142857 0.3570214 0.2710964), wk = 0.0025510 k( 272) = ( 0.2023810 0.3570214 0.2710964), wk = 0.0025510 k( 273) = ( 0.1904762 0.3570214 0.2710964), wk = 0.0025510 k( 274) = ( 0.1785714 0.3570214 0.2710964), wk = 0.0025510 k( 275) = ( 0.1666667 0.3570214 0.2710964), wk = 0.0025510 k( 276) = ( 0.1547619 0.3570214 0.2710964), wk = 0.0025510 k( 277) = ( 0.1428571 0.3570214 0.2710964), wk = 0.0025510 k( 278) = ( 0.1309524 0.3570214 0.2710964), wk = 0.0025510 k( 279) = ( 0.1190476 0.3570214 0.2710964), wk = 0.0025510 k( 280) = ( 0.1071429 0.3570214 0.2710964), wk = 0.0025510 k( 281) = ( 0.0952381 0.3570214 0.2710964), wk = 0.0025510 k( 282) = ( 0.0833333 0.3570214 0.2710964), wk = 0.0025510 k( 283) = ( 0.0714286 0.3570214 0.2710964), wk = 0.0025510 k( 284) = ( 0.0595238 0.3570214 0.2710964), wk = 0.0025510 k( 285) = ( 0.0476191 0.3570214 0.2710964), wk = 0.0025510 k( 286) = ( 0.0357143 0.3570214 0.2710964), wk = 0.0025510 k( 287) = ( 0.0238095 0.3570214 0.2710964), wk = 0.0025510 k( 288) = ( 0.0119048 0.3570214 0.2710964), wk = 0.0025510 k( 289) = ( 0.0000000 0.3570214 0.2710964), wk = 0.0025510 k( 290) = ( 0.0000000 0.3570214 0.2710964), wk = 0.0025510 k( 291) = ( 0.0000000 0.3451206 0.2710964), wk = 0.0025510 k( 292) = ( 0.0000000 0.3332199 0.2710964), wk = 0.0025510 k( 293) = ( 0.0000000 0.3213192 0.2710964), wk = 0.0025510 k( 294) = ( 0.0000000 0.3094185 0.2710964), wk = 0.0025510 k( 295) = ( 0.0000000 0.2975178 0.2710964), wk = 0.0025510 k( 296) = ( 0.0000000 0.2856171 0.2710964), wk = 0.0025510 k( 297) = ( 0.0000000 0.2737164 0.2710964), wk = 0.0025510 k( 298) = ( 0.0000000 0.2618157 0.2710964), wk = 0.0025510 k( 299) = ( 0.0000000 0.2499149 0.2710964), wk = 0.0025510 k( 300) = ( 0.0000000 0.2380142 0.2710964), wk = 0.0025510 k( 301) = ( 0.0000000 0.2261135 0.2710964), wk = 0.0025510 k( 302) = ( 0.0000000 0.2142128 0.2710964), wk = 0.0025510 k( 303) = ( 0.0000000 0.2023121 0.2710964), wk = 0.0025510 k( 304) = ( 0.0000000 0.1904114 0.2710964), wk = 0.0025510 k( 305) = ( 0.0000000 0.1785107 0.2710964), wk = 0.0025510 k( 306) = ( 0.0000000 0.1666100 0.2710964), wk = 0.0025510 k( 307) = ( 0.0000000 0.1547093 0.2710964), wk = 0.0025510 k( 308) = ( 0.0000000 0.1428085 0.2710964), wk = 0.0025510 k( 309) = ( 0.0000000 0.1309078 0.2710964), wk = 0.0025510 k( 310) = ( 0.0000000 0.1190071 0.2710964), wk = 0.0025510 k( 311) = ( 0.0000000 0.1071064 0.2710964), wk = 0.0025510 k( 312) = ( 0.0000000 0.0952057 0.2710964), wk = 0.0025510 k( 313) = ( 0.0000000 0.0833050 0.2710964), wk = 0.0025510 k( 314) = ( 0.0000000 0.0714043 0.2710964), wk = 0.0025510 k( 315) = ( 0.0000000 0.0595036 0.2710964), wk = 0.0025510 k( 316) = ( 0.0000000 0.0476028 0.2710964), wk = 0.0025510 k( 317) = ( 0.0000000 0.0357021 0.2710964), wk = 0.0025510 k( 318) = ( 0.0000000 0.0238014 0.2710964), wk = 0.0025510 k( 319) = ( 0.0000000 0.0119007 0.2710964), wk = 0.0025510 k( 320) = ( 0.0000000 0.0000000 0.2710964), wk = 0.0025510 k( 321) = ( 0.0000000 0.3570214 -0.0000000), wk = 0.0025510 k( 322) = ( 0.0000000 0.3570214 0.0117868), wk = 0.0025510 k( 323) = ( 0.0000000 0.3570214 0.0235736), wk = 0.0025510 k( 324) = ( 0.0000000 0.3570214 0.0353604), wk = 0.0025510 k( 325) = ( 0.0000000 0.3570214 0.0471472), wk = 0.0025510 k( 326) = ( 0.0000000 0.3570214 0.0589340), wk = 0.0025510 k( 327) = ( 0.0000000 0.3570214 0.0707208), wk = 0.0025510 k( 328) = ( 0.0000000 0.3570214 0.0825076), wk = 0.0025510 k( 329) = ( 0.0000000 0.3570214 0.0942944), wk = 0.0025510 k( 330) = ( 0.0000000 0.3570214 0.1060812), wk = 0.0025510 k( 331) = ( 0.0000000 0.3570214 0.1178680), wk = 0.0025510 k( 332) = ( 0.0000000 0.3570214 0.1296548), wk = 0.0025510 k( 333) = ( 0.0000000 0.3570214 0.1414416), wk = 0.0025510 k( 334) = ( 0.0000000 0.3570214 0.1532284), wk = 0.0025510 k( 335) = ( 0.0000000 0.3570214 0.1650152), wk = 0.0025510 k( 336) = ( 0.0000000 0.3570214 0.1768020), wk = 0.0025510 k( 337) = ( 0.0000000 0.3570214 0.1885888), wk = 0.0025510 k( 338) = ( 0.0000000 0.3570214 0.2003756), wk = 0.0025510 k( 339) = ( 0.0000000 0.3570214 0.2121624), wk = 0.0025510 k( 340) = ( 0.0000000 0.3570214 0.2239492), wk = 0.0025510 k( 341) = ( 0.0000000 0.3570214 0.2357360), wk = 0.0025510 k( 342) = ( 0.0000000 0.3570214 0.2475228), wk = 0.0025510 k( 343) = ( 0.0000000 0.3570214 0.2593096), wk = 0.0025510 k( 344) = ( 0.0000000 0.3570214 0.2710964), wk = 0.0025510 k( 345) = ( 0.5000000 -0.0000000 0.2710964), wk = 0.0025510 k( 346) = ( 0.5000000 -0.0000000 0.2593096), wk = 0.0025510 k( 347) = ( 0.5000000 -0.0000000 0.2475228), wk = 0.0025510 k( 348) = ( 0.5000000 -0.0000000 0.2357360), wk = 0.0025510 k( 349) = ( 0.5000000 -0.0000000 0.2239492), wk = 0.0025510 k( 350) = ( 0.5000000 -0.0000000 0.2121624), wk = 0.0025510 k( 351) = ( 0.5000000 -0.0000000 0.2003756), wk = 0.0025510 k( 352) = ( 0.5000000 -0.0000000 0.1885888), wk = 0.0025510 k( 353) = ( 0.5000000 -0.0000000 0.1768020), wk = 0.0025510 k( 354) = ( 0.5000000 -0.0000000 0.1650152), wk = 0.0025510 k( 355) = ( 0.5000000 -0.0000000 0.1532284), wk = 0.0025510 k( 356) = ( 0.5000000 -0.0000000 0.1414416), wk = 0.0025510 k( 357) = ( 0.5000000 -0.0000000 0.1296548), wk = 0.0025510 k( 358) = ( 0.5000000 -0.0000000 0.1178680), wk = 0.0025510 k( 359) = ( 0.5000000 -0.0000000 0.1060812), wk = 0.0025510 k( 360) = ( 0.5000000 -0.0000000 0.0942944), wk = 0.0025510 k( 361) = ( 0.5000000 -0.0000000 0.0825076), wk = 0.0025510 k( 362) = ( 0.5000000 -0.0000000 0.0707208), wk = 0.0025510 k( 363) = ( 0.5000000 -0.0000000 0.0589340), wk = 0.0025510 k( 364) = ( 0.5000000 -0.0000000 0.0471472), wk = 0.0025510 k( 365) = ( 0.5000000 -0.0000000 0.0353604), wk = 0.0025510 k( 366) = ( 0.5000000 -0.0000000 0.0235736), wk = 0.0025510 k( 367) = ( 0.5000000 -0.0000000 0.0117868), wk = 0.0025510 k( 368) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025510 k( 369) = ( 0.5000000 0.3570214 -0.0000000), wk = 0.0025510 k( 370) = ( 0.5000000 0.3570214 0.0117868), wk = 0.0025510 k( 371) = ( 0.5000000 0.3570214 0.0235736), wk = 0.0025510 k( 372) = ( 0.5000000 0.3570214 0.0353604), wk = 0.0025510 k( 373) = ( 0.5000000 0.3570214 0.0471472), wk = 0.0025510 k( 374) = ( 0.5000000 0.3570214 0.0589340), wk = 0.0025510 k( 375) = ( 0.5000000 0.3570214 0.0707208), wk = 0.0025510 k( 376) = ( 0.5000000 0.3570214 0.0825076), wk = 0.0025510 k( 377) = ( 0.5000000 0.3570214 0.0942944), wk = 0.0025510 k( 378) = ( 0.5000000 0.3570214 0.1060812), wk = 0.0025510 k( 379) = ( 0.5000000 0.3570214 0.1178680), wk = 0.0025510 k( 380) = ( 0.5000000 0.3570214 0.1296548), wk = 0.0025510 k( 381) = ( 0.5000000 0.3570214 0.1414416), wk = 0.0025510 k( 382) = ( 0.5000000 0.3570214 0.1532284), wk = 0.0025510 k( 383) = ( 0.5000000 0.3570214 0.1650152), wk = 0.0025510 k( 384) = ( 0.5000000 0.3570214 0.1768020), wk = 0.0025510 k( 385) = ( 0.5000000 0.3570214 0.1885888), wk = 0.0025510 k( 386) = ( 0.5000000 0.3570214 0.2003756), wk = 0.0025510 k( 387) = ( 0.5000000 0.3570214 0.2121624), wk = 0.0025510 k( 388) = ( 0.5000000 0.3570214 0.2239492), wk = 0.0025510 k( 389) = ( 0.5000000 0.3570214 0.2357360), wk = 0.0025510 k( 390) = ( 0.5000000 0.3570214 0.2475228), wk = 0.0025510 k( 391) = ( 0.5000000 0.3570214 0.2593096), wk = 0.0025510 k( 392) = ( 0.5000000 0.3570214 0.2710964), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0119048 -0.0000000 0.0000000), wk = 0.0025510 k( 3) = ( 0.0238095 -0.0000000 0.0000000), wk = 0.0025510 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0025510 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0025510 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0025510 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0025510 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0025510 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0025510 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0025510 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0025510 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0025510 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0025510 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0025510 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0025510 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0025510 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0025510 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0025510 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0025510 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0025510 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0025510 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025510 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0025510 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0025510 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0025510 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0025510 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0025510 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0025510 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0025510 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0025510 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0025510 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0025510 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0025510 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0025510 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0025510 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0025510 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0025510 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0025510 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0025510 k( 40) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0025510 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0025510 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0025510 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025510 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025510 k( 45) = ( 0.5000000 0.0166667 0.0000000), wk = 0.0025510 k( 46) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0025510 k( 47) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0025510 k( 48) = ( 0.5000000 0.0666667 0.0000000), wk = 0.0025510 k( 49) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0025510 k( 50) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0025510 k( 51) = ( 0.5000000 0.1166667 0.0000000), wk = 0.0025510 k( 52) = ( 0.5000000 0.1333333 0.0000000), wk = 0.0025510 k( 53) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0025510 k( 54) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0025510 k( 55) = ( 0.5000000 0.1833333 0.0000000), wk = 0.0025510 k( 56) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0025510 k( 57) = ( 0.5000000 0.2166667 0.0000000), wk = 0.0025510 k( 58) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0025510 k( 59) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0025510 k( 60) = ( 0.5000000 0.2666667 0.0000000), wk = 0.0025510 k( 61) = ( 0.5000000 0.2833333 0.0000000), wk = 0.0025510 k( 62) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0025510 k( 63) = ( 0.5000000 0.3166667 0.0000000), wk = 0.0025510 k( 64) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0025510 k( 65) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0025510 k( 66) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0025510 k( 67) = ( 0.5000000 0.3833333 -0.0000000), wk = 0.0025510 k( 68) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0025510 k( 69) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0025510 k( 70) = ( 0.5000000 0.4333333 0.0000000), wk = 0.0025510 k( 71) = ( 0.5000000 0.4500000 0.0000000), wk = 0.0025510 k( 72) = ( 0.5000000 0.4666667 0.0000000), wk = 0.0025510 k( 73) = ( 0.5000000 0.4833333 0.0000000), wk = 0.0025510 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 76) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0025510 k( 77) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0025510 k( 78) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0025510 k( 79) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0025510 k( 80) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0025510 k( 81) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0025510 k( 82) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0025510 k( 83) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0025510 k( 84) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0025510 k( 85) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0025510 k( 86) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0025510 k( 87) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0025510 k( 88) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0025510 k( 89) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0025510 k( 90) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0025510 k( 91) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0025510 k( 92) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0025510 k( 93) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0025510 k( 94) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0025510 k( 95) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0025510 k( 96) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025510 k( 97) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0025510 k( 98) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0025510 k( 99) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0025510 k( 100) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0025510 k( 101) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0025510 k( 102) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0025510 k( 103) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0025510 k( 104) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0025510 k( 105) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0025510 k( 106) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0025510 k( 107) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0025510 k( 108) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0025510 k( 109) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0025510 k( 110) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0025510 k( 111) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0025510 k( 112) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0025510 k( 113) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0025510 k( 114) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0025510 k( 115) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0025510 k( 116) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0025510 k( 117) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025510 k( 118) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025510 k( 119) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0025510 k( 120) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0025510 k( 121) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0025510 k( 122) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0025510 k( 123) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0025510 k( 124) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025510 k( 125) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0025510 k( 126) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0025510 k( 127) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0025510 k( 128) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025510 k( 129) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0025510 k( 130) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025510 k( 131) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0025510 k( 132) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0025510 k( 133) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025510 k( 134) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0025510 k( 135) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0025510 k( 136) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025510 k( 137) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0025510 k( 138) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025510 k( 139) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0025510 k( 140) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0025510 k( 141) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0025510 k( 142) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025510 k( 143) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0025510 k( 144) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0025510 k( 145) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025510 k( 146) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0025510 k( 147) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0025510 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 150) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0025510 k( 151) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0025510 k( 152) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0025510 k( 153) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0025510 k( 154) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0025510 k( 155) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 174) = ( 0.0119048 -0.0000000 0.5000000), wk = 0.0025510 k( 175) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0025510 k( 176) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0025510 k( 177) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0025510 k( 178) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0025510 k( 179) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0025510 k( 180) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0025510 k( 181) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0025510 k( 182) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0025510 k( 183) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0025510 k( 184) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0025510 k( 185) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0025510 k( 186) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0025510 k( 187) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0025510 k( 188) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0025510 k( 189) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0025510 k( 190) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0025510 k( 191) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0025510 k( 192) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0025510 k( 193) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0025510 k( 194) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025510 k( 195) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0025510 k( 196) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0025510 k( 197) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0025510 k( 198) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0025510 k( 199) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0025510 k( 200) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0025510 k( 201) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0025510 k( 202) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0025510 k( 203) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0025510 k( 204) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0025510 k( 205) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0025510 k( 206) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0025510 k( 207) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0025510 k( 208) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0025510 k( 209) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0025510 k( 210) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0025510 k( 211) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0025510 k( 212) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0025510 k( 213) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0025510 k( 214) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0025510 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025510 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025510 k( 217) = ( 0.5000000 0.0166667 0.5000000), wk = 0.0025510 k( 218) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0025510 k( 219) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0025510 k( 220) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0025510 k( 221) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0025510 k( 222) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0025510 k( 223) = ( 0.5000000 0.1166667 0.5000000), wk = 0.0025510 k( 224) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0025510 k( 225) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0025510 k( 226) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0025510 k( 227) = ( 0.5000000 0.1833333 0.5000000), wk = 0.0025510 k( 228) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0025510 k( 229) = ( 0.5000000 0.2166667 0.5000000), wk = 0.0025510 k( 230) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0025510 k( 231) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0025510 k( 232) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0025510 k( 233) = ( 0.5000000 0.2833333 0.5000000), wk = 0.0025510 k( 234) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0025510 k( 235) = ( 0.5000000 0.3166667 0.5000000), wk = 0.0025510 k( 236) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0025510 k( 237) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0025510 k( 238) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0025510 k( 239) = ( 0.5000000 0.3833333 0.5000000), wk = 0.0025510 k( 240) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0025510 k( 241) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0025510 k( 242) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0025510 k( 243) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0025510 k( 244) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0025510 k( 245) = ( 0.5000000 0.4833333 0.5000000), wk = 0.0025510 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 248) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0025510 k( 249) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0025510 k( 250) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0025510 k( 251) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0025510 k( 252) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0025510 k( 253) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0025510 k( 254) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0025510 k( 255) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0025510 k( 256) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0025510 k( 257) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0025510 k( 258) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0025510 k( 259) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0025510 k( 260) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0025510 k( 261) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0025510 k( 262) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0025510 k( 263) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0025510 k( 264) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0025510 k( 265) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0025510 k( 266) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0025510 k( 267) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0025510 k( 268) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025510 k( 269) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0025510 k( 270) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0025510 k( 271) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0025510 k( 272) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0025510 k( 273) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0025510 k( 274) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0025510 k( 275) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0025510 k( 276) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0025510 k( 277) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0025510 k( 278) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0025510 k( 279) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0025510 k( 280) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0025510 k( 281) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0025510 k( 282) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0025510 k( 283) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0025510 k( 284) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0025510 k( 285) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0025510 k( 286) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0025510 k( 287) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0025510 k( 288) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0025510 k( 289) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 290) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 291) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0025510 k( 292) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0025510 k( 293) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0025510 k( 294) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0025510 k( 295) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0025510 k( 296) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025510 k( 297) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0025510 k( 298) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0025510 k( 299) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0025510 k( 300) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025510 k( 301) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0025510 k( 302) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025510 k( 303) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0025510 k( 304) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0025510 k( 305) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025510 k( 306) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0025510 k( 307) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0025510 k( 308) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025510 k( 309) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0025510 k( 310) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025510 k( 311) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0025510 k( 312) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0025510 k( 313) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0025510 k( 314) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025510 k( 315) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0025510 k( 316) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0025510 k( 317) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0025510 k( 318) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0025510 k( 319) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0025510 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 321) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025510 k( 322) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0025510 k( 323) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0025510 k( 324) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0025510 k( 325) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0025510 k( 326) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0025510 k( 327) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0025510 k( 328) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0025510 k( 329) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0025510 k( 330) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0025510 k( 331) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0025510 k( 332) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0025510 k( 333) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0025510 k( 334) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0025510 k( 335) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0025510 k( 336) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0025510 k( 337) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0025510 k( 338) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0025510 k( 339) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0025510 k( 340) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0025510 k( 341) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0025510 k( 342) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0025510 k( 343) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0025510 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 345) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025510 k( 346) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0025510 k( 347) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0025510 k( 348) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0025510 k( 349) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0025510 k( 350) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0025510 k( 351) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0025510 k( 352) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0025510 k( 353) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0025510 k( 354) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0025510 k( 355) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0025510 k( 356) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0025510 k( 357) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0025510 k( 358) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0025510 k( 359) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0025510 k( 360) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0025510 k( 361) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0025510 k( 362) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0025510 k( 363) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0025510 k( 364) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0025510 k( 365) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0025510 k( 366) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0025510 k( 367) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0025510 k( 368) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025510 k( 369) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 370) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0025510 k( 371) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0025510 k( 372) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0025510 k( 373) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0025510 k( 374) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0025510 k( 375) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0025510 k( 376) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0025510 k( 377) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0025510 k( 378) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0025510 k( 379) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0025510 k( 380) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0025510 k( 381) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0025510 k( 382) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0025510 k( 383) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0025510 k( 384) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0025510 k( 385) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0025510 k( 386) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0025510 k( 387) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0025510 k( 388) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0025510 k( 389) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0025510 k( 390) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0025510 k( 391) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0025510 k( 392) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 Dense grid: 44911 G-vectors FFT dimensions: ( 36, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 332, 40) NL pseudopotentials 0.51 Mb ( 166, 200) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1250) G-vector shells 0.00 Mb ( 641) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 332, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.24 Mb ( 200, 2, 40) The potential is recalculated from file : ./ZrSi.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 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 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.5 secs Computing kpt #: 13 total cpu time spent up to now is 12.3 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.3 secs Computing kpt #: 20 total cpu time spent up to now is 16.9 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.2 secs Computing kpt #: 23 total cpu time spent up to now is 18.8 secs Computing kpt #: 24 total cpu time spent up to now is 19.5 secs Computing kpt #: 25 total cpu time spent up to now is 20.1 secs Computing kpt #: 26 total cpu time spent up to now is 20.8 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 23.0 secs Computing kpt #: 30 total cpu time spent up to now is 23.9 secs Computing kpt #: 31 total cpu time spent up to now is 24.9 secs Computing kpt #: 32 total cpu time spent up to now is 25.9 secs Computing kpt #: 33 total cpu time spent up to now is 26.9 secs Computing kpt #: 34 total cpu time spent up to now is 27.8 secs Computing kpt #: 35 total cpu time spent up to now is 28.9 secs Computing kpt #: 36 total cpu time spent up to now is 30.1 secs Computing kpt #: 37 total cpu time spent up to now is 31.1 secs Computing kpt #: 38 total cpu time spent up to now is 31.9 secs Computing kpt #: 39 total cpu time spent up to now is 32.8 secs Computing kpt #: 40 total cpu time spent up to now is 33.6 secs Computing kpt #: 41 total cpu time spent up to now is 34.4 secs Computing kpt #: 42 total cpu time spent up to now is 35.1 secs Computing kpt #: 43 total cpu time spent up to now is 35.8 secs Computing kpt #: 44 total cpu time spent up to now is 36.5 secs Computing kpt #: 45 total cpu time spent up to now is 37.2 secs Computing kpt #: 46 total cpu time spent up to now is 37.9 secs Computing kpt #: 47 total cpu time spent up to now is 38.6 secs Computing kpt #: 48 total cpu time spent up to now is 39.3 secs Computing kpt #: 49 total cpu time spent up to now is 40.1 secs Computing kpt #: 50 total cpu time spent up to now is 40.9 secs Computing kpt #: 51 total cpu time spent up to now is 41.8 secs Computing kpt #: 52 total cpu time spent up to now is 42.9 secs Computing kpt #: 53 total cpu time spent up to now is 43.8 secs Computing kpt #: 54 total cpu time spent up to now is 44.6 secs Computing kpt #: 55 total cpu time spent up to now is 45.3 secs Computing kpt #: 56 total cpu time spent up to now is 46.1 secs Computing kpt #: 57 total cpu time spent up to now is 46.7 secs Computing kpt #: 58 total cpu time spent up to now is 47.4 secs Computing kpt #: 59 total cpu time spent up to now is 48.0 secs Computing kpt #: 60 total cpu time spent up to now is 48.7 secs Computing kpt #: 61 total cpu time spent up to now is 49.3 secs Computing kpt #: 62 total cpu time spent up to now is 49.9 secs Computing kpt #: 63 total cpu time spent up to now is 50.4 secs Computing kpt #: 64 total cpu time spent up to now is 51.0 secs Computing kpt #: 65 total cpu time spent up to now is 51.5 secs Computing kpt #: 66 total cpu time spent up to now is 52.1 secs Computing kpt #: 67 total cpu time spent up to now is 52.5 secs Computing kpt #: 68 total cpu time spent up to now is 53.0 secs Computing kpt #: 69 total cpu time spent up to now is 53.5 secs Computing kpt #: 70 total cpu time spent up to now is 54.0 secs Computing kpt #: 71 total cpu time spent up to now is 54.4 secs Computing kpt #: 72 total cpu time spent up to now is 54.9 secs Computing kpt #: 73 total cpu time spent up to now is 55.4 secs Computing kpt #: 74 total cpu time spent up to now is 55.9 secs Computing kpt #: 75 total cpu time spent up to now is 56.3 secs Computing kpt #: 76 total cpu time spent up to now is 56.8 secs Computing kpt #: 77 total cpu time spent up to now is 57.3 secs Computing kpt #: 78 total cpu time spent up to now is 57.7 secs Computing kpt #: 79 total cpu time spent up to now is 58.2 secs Computing kpt #: 80 total cpu time spent up to now is 58.7 secs Computing kpt #: 81 total cpu time spent up to now is 59.3 secs Computing kpt #: 82 total cpu time spent up to now is 59.9 secs Computing kpt #: 83 total cpu time spent up to now is 60.4 secs Computing kpt #: 84 total cpu time spent up to now is 61.0 secs Computing kpt #: 85 total cpu time spent up to now is 61.6 secs Computing kpt #: 86 total cpu time spent up to now is 62.3 secs Computing kpt #: 87 total cpu time spent up to now is 62.9 secs Computing kpt #: 88 total cpu time spent up to now is 63.6 secs Computing kpt #: 89 total cpu time spent up to now is 64.3 secs Computing kpt #: 90 total cpu time spent up to now is 65.1 secs Computing kpt #: 91 total cpu time spent up to now is 65.9 secs Computing kpt #: 92 total cpu time spent up to now is 66.8 secs Computing kpt #: 93 total cpu time spent up to now is 67.9 secs Computing kpt #: 94 total cpu time spent up to now is 68.8 secs Computing kpt #: 95 total cpu time spent up to now is 69.6 secs Computing kpt #: 96 total cpu time spent up to now is 70.4 secs Computing kpt #: 97 total cpu time spent up to now is 71.1 secs Computing kpt #: 98 total cpu time spent up to now is 71.8 secs Computing kpt #: 99 total cpu time spent up to now is 72.5 secs Computing kpt #: 100 total cpu time spent up to now is 73.3 secs Computing kpt #: 101 total cpu time spent up to now is 74.0 secs Computing kpt #: 102 total cpu time spent up to now is 74.7 secs Computing kpt #: 103 total cpu time spent up to now is 75.5 secs Computing kpt #: 104 total cpu time spent up to now is 76.4 secs Computing kpt #: 105 total cpu time spent up to now is 77.4 secs Computing kpt #: 106 total cpu time spent up to now is 78.5 secs Computing kpt #: 107 total cpu time spent up to now is 79.6 secs Computing kpt #: 108 total cpu time spent up to now is 80.4 secs Computing kpt #: 109 total cpu time spent up to now is 81.3 secs Computing kpt #: 110 total cpu time spent up to now is 82.1 secs Computing kpt #: 111 total cpu time spent up to now is 82.8 secs Computing kpt #: 112 total cpu time spent up to now is 83.5 secs Computing kpt #: 113 total cpu time spent up to now is 84.3 secs Computing kpt #: 114 total cpu time spent up to now is 84.9 secs Computing kpt #: 115 total cpu time spent up to now is 85.6 secs Computing kpt #: 116 total cpu time spent up to now is 86.3 secs Computing kpt #: 117 total cpu time spent up to now is 86.9 secs Computing kpt #: 118 total cpu time spent up to now is 87.6 secs Computing kpt #: 119 total cpu time spent up to now is 88.2 secs Computing kpt #: 120 total cpu time spent up to now is 88.9 secs Computing kpt #: 121 total cpu time spent up to now is 89.6 secs Computing kpt #: 122 total cpu time spent up to now is 90.4 secs Computing kpt #: 123 total cpu time spent up to now is 91.2 secs Computing kpt #: 124 total cpu time spent up to now is 92.0 secs Computing kpt #: 125 total cpu time spent up to now is 92.8 secs Computing kpt #: 126 total cpu time spent up to now is 93.5 secs Computing kpt #: 127 total cpu time spent up to now is 94.1 secs Computing kpt #: 128 total cpu time spent up to now is 94.8 secs Computing kpt #: 129 total cpu time spent up to now is 95.5 secs Computing kpt #: 130 total cpu time spent up to now is 96.2 secs Computing kpt #: 131 total cpu time spent up to now is 97.0 secs Computing kpt #: 132 total cpu time spent up to now is 97.8 secs Computing kpt #: 133 total cpu time spent up to now is 98.7 secs Computing kpt #: 134 total cpu time spent up to now is 99.7 secs Computing kpt #: 135 total cpu time spent up to now is 100.7 secs Computing kpt #: 136 total cpu time spent up to now is 101.6 secs Computing kpt #: 137 total cpu time spent up to now is 102.4 secs Computing kpt #: 138 total cpu time spent up to now is 103.2 secs Computing kpt #: 139 total cpu time spent up to now is 103.9 secs Computing kpt #: 140 total cpu time spent up to now is 104.6 secs Computing kpt #: 141 total cpu time spent up to now is 105.3 secs Computing kpt #: 142 total cpu time spent up to now is 106.0 secs Computing kpt #: 143 total cpu time spent up to now is 106.7 secs Computing kpt #: 144 total cpu time spent up to now is 107.4 secs Computing kpt #: 145 total cpu time spent up to now is 108.1 secs Computing kpt #: 146 total cpu time spent up to now is 108.8 secs Computing kpt #: 147 total cpu time spent up to now is 109.4 secs Computing kpt #: 148 total cpu time spent up to now is 110.1 secs Computing kpt #: 149 total cpu time spent up to now is 110.7 secs Computing kpt #: 150 total cpu time spent up to now is 111.4 secs Computing kpt #: 151 total cpu time spent up to now is 112.1 secs Computing kpt #: 152 total cpu time spent up to now is 112.9 secs Computing kpt #: 153 total cpu time spent up to now is 113.8 secs Computing kpt #: 154 total cpu time spent up to now is 115.1 secs Computing kpt #: 155 total cpu time spent up to now is 115.9 secs Computing kpt #: 156 total cpu time spent up to now is 116.6 secs Computing kpt #: 157 total cpu time spent up to now is 117.3 secs Computing kpt #: 158 total cpu time spent up to now is 118.0 secs Computing kpt #: 159 total cpu time spent up to now is 118.8 secs Computing kpt #: 160 total cpu time spent up to now is 119.7 secs Computing kpt #: 161 total cpu time spent up to now is 120.5 secs Computing kpt #: 162 total cpu time spent up to now is 121.4 secs Computing kpt #: 163 total cpu time spent up to now is 122.2 secs Computing kpt #: 164 total cpu time spent up to now is 123.0 secs Computing kpt #: 165 total cpu time spent up to now is 123.7 secs Computing kpt #: 166 total cpu time spent up to now is 124.5 secs Computing kpt #: 167 total cpu time spent up to now is 125.2 secs Computing kpt #: 168 total cpu time spent up to now is 126.0 secs Computing kpt #: 169 total cpu time spent up to now is 126.7 secs Computing kpt #: 170 total cpu time spent up to now is 127.5 secs Computing kpt #: 171 total cpu time spent up to now is 128.2 secs Computing kpt #: 172 total cpu time spent up to now is 128.9 secs Computing kpt #: 173 total cpu time spent up to now is 129.7 secs Computing kpt #: 174 total cpu time spent up to now is 130.4 secs Computing kpt #: 175 total cpu time spent up to now is 131.1 secs Computing kpt #: 176 total cpu time spent up to now is 131.8 secs Computing kpt #: 177 total cpu time spent up to now is 132.6 secs Computing kpt #: 178 total cpu time spent up to now is 133.3 secs Computing kpt #: 179 total cpu time spent up to now is 134.0 secs Computing kpt #: 180 total cpu time spent up to now is 134.8 secs Computing kpt #: 181 total cpu time spent up to now is 135.5 secs Computing kpt #: 182 total cpu time spent up to now is 136.3 secs Computing kpt #: 183 total cpu time spent up to now is 137.0 secs Computing kpt #: 184 total cpu time spent up to now is 137.8 secs Computing kpt #: 185 total cpu time spent up to now is 138.6 secs Computing kpt #: 186 total cpu time spent up to now is 139.4 secs Computing kpt #: 187 total cpu time spent up to now is 140.3 secs Computing kpt #: 188 total cpu time spent up to now is 141.1 secs Computing kpt #: 189 total cpu time spent up to now is 141.9 secs Computing kpt #: 190 total cpu time spent up to now is 142.7 secs Computing kpt #: 191 total cpu time spent up to now is 143.5 secs Computing kpt #: 192 total cpu time spent up to now is 144.3 secs Computing kpt #: 193 total cpu time spent up to now is 145.1 secs Computing kpt #: 194 total cpu time spent up to now is 146.0 secs Computing kpt #: 195 total cpu time spent up to now is 146.9 secs Computing kpt #: 196 total cpu time spent up to now is 147.8 secs Computing kpt #: 197 total cpu time spent up to now is 148.7 secs Computing kpt #: 198 total cpu time spent up to now is 149.5 secs Computing kpt #: 199 total cpu time spent up to now is 150.4 secs Computing kpt #: 200 total cpu time spent up to now is 151.3 secs Computing kpt #: 201 total cpu time spent up to now is 152.2 secs Computing kpt #: 202 total cpu time spent up to now is 153.1 secs Computing kpt #: 203 total cpu time spent up to now is 154.0 secs Computing kpt #: 204 total cpu time spent up to now is 155.0 secs Computing kpt #: 205 total cpu time spent up to now is 155.9 secs Computing kpt #: 206 total cpu time spent up to now is 156.9 secs Computing kpt #: 207 total cpu time spent up to now is 157.8 secs Computing kpt #: 208 total cpu time spent up to now is 158.8 secs Computing kpt #: 209 total cpu time spent up to now is 159.9 secs Computing kpt #: 210 total cpu time spent up to now is 161.0 secs Computing kpt #: 211 total cpu time spent up to now is 162.3 secs Computing kpt #: 212 total cpu time spent up to now is 163.5 secs Computing kpt #: 213 total cpu time spent up to now is 164.6 secs Computing kpt #: 214 total cpu time spent up to now is 165.7 secs Computing kpt #: 215 total cpu time spent up to now is 166.7 secs Computing kpt #: 216 total cpu time spent up to now is 167.7 secs Computing kpt #: 217 total cpu time spent up to now is 168.7 secs Computing kpt #: 218 total cpu time spent up to now is 169.7 secs Computing kpt #: 219 total cpu time spent up to now is 170.7 secs Computing kpt #: 220 total cpu time spent up to now is 171.7 secs Computing kpt #: 221 total cpu time spent up to now is 172.6 secs Computing kpt #: 222 total cpu time spent up to now is 173.6 secs Computing kpt #: 223 total cpu time spent up to now is 174.5 secs Computing kpt #: 224 total cpu time spent up to now is 175.5 secs Computing kpt #: 225 total cpu time spent up to now is 176.4 secs Computing kpt #: 226 total cpu time spent up to now is 177.3 secs Computing kpt #: 227 total cpu time spent up to now is 178.3 secs Computing kpt #: 228 total cpu time spent up to now is 179.2 secs Computing kpt #: 229 total cpu time spent up to now is 180.0 secs Computing kpt #: 230 total cpu time spent up to now is 180.8 secs Computing kpt #: 231 total cpu time spent up to now is 181.6 secs Computing kpt #: 232 total cpu time spent up to now is 182.4 secs Computing kpt #: 233 total cpu time spent up to now is 183.1 secs Computing kpt #: 234 total cpu time spent up to now is 183.8 secs Computing kpt #: 235 total cpu time spent up to now is 184.5 secs Computing kpt #: 236 total cpu time spent up to now is 185.2 secs Computing kpt #: 237 total cpu time spent up to now is 185.9 secs Computing kpt #: 238 total cpu time spent up to now is 186.6 secs Computing kpt #: 239 total cpu time spent up to now is 187.3 secs Computing kpt #: 240 total cpu time spent up to now is 188.0 secs Computing kpt #: 241 total cpu time spent up to now is 188.6 secs Computing kpt #: 242 total cpu time spent up to now is 189.3 secs Computing kpt #: 243 total cpu time spent up to now is 190.0 secs Computing kpt #: 244 total cpu time spent up to now is 190.7 secs Computing kpt #: 245 total cpu time spent up to now is 191.3 secs Computing kpt #: 246 total cpu time spent up to now is 192.0 secs Computing kpt #: 247 total cpu time spent up to now is 192.6 secs Computing kpt #: 248 total cpu time spent up to now is 193.3 secs Computing kpt #: 249 total cpu time spent up to now is 194.0 secs Computing kpt #: 250 total cpu time spent up to now is 194.6 secs Computing kpt #: 251 total cpu time spent up to now is 195.3 secs Computing kpt #: 252 total cpu time spent up to now is 196.0 secs Computing kpt #: 253 total cpu time spent up to now is 196.7 secs Computing kpt #: 254 total cpu time spent up to now is 197.4 secs Computing kpt #: 255 total cpu time spent up to now is 198.1 secs Computing kpt #: 256 total cpu time spent up to now is 198.8 secs Computing kpt #: 257 total cpu time spent up to now is 199.5 secs Computing kpt #: 258 total cpu time spent up to now is 200.2 secs Computing kpt #: 259 total cpu time spent up to now is 200.9 secs Computing kpt #: 260 total cpu time spent up to now is 201.6 secs Computing kpt #: 261 total cpu time spent up to now is 202.3 secs Computing kpt #: 262 total cpu time spent up to now is 203.0 secs Computing kpt #: 263 total cpu time spent up to now is 203.7 secs Computing kpt #: 264 total cpu time spent up to now is 204.3 secs Computing kpt #: 265 total cpu time spent up to now is 205.0 secs Computing kpt #: 266 total cpu time spent up to now is 205.7 secs Computing kpt #: 267 total cpu time spent up to now is 206.3 secs Computing kpt #: 268 total cpu time spent up to now is 206.9 secs Computing kpt #: 269 total cpu time spent up to now is 207.6 secs Computing kpt #: 270 total cpu time spent up to now is 208.2 secs Computing kpt #: 271 total cpu time spent up to now is 208.8 secs Computing kpt #: 272 total cpu time spent up to now is 209.4 secs Computing kpt #: 273 total cpu time spent up to now is 210.0 secs Computing kpt #: 274 total cpu time spent up to now is 210.6 secs Computing kpt #: 275 total cpu time spent up to now is 211.2 secs Computing kpt #: 276 total cpu time spent up to now is 211.9 secs Computing kpt #: 277 total cpu time spent up to now is 212.5 secs Computing kpt #: 278 total cpu time spent up to now is 213.1 secs Computing kpt #: 279 total cpu time spent up to now is 213.7 secs Computing kpt #: 280 total cpu time spent up to now is 214.3 secs Computing kpt #: 281 total cpu time spent up to now is 214.9 secs Computing kpt #: 282 total cpu time spent up to now is 215.5 secs Computing kpt #: 283 total cpu time spent up to now is 216.1 secs Computing kpt #: 284 total cpu time spent up to now is 216.8 secs Computing kpt #: 285 total cpu time spent up to now is 217.4 secs Computing kpt #: 286 total cpu time spent up to now is 218.0 secs Computing kpt #: 287 total cpu time spent up to now is 218.6 secs Computing kpt #: 288 total cpu time spent up to now is 219.2 secs Computing kpt #: 289 total cpu time spent up to now is 219.8 secs Computing kpt #: 290 total cpu time spent up to now is 220.5 secs Computing kpt #: 291 total cpu time spent up to now is 221.1 secs Computing kpt #: 292 total cpu time spent up to now is 221.7 secs Computing kpt #: 293 total cpu time spent up to now is 222.3 secs Computing kpt #: 294 total cpu time spent up to now is 222.9 secs Computing kpt #: 295 total cpu time spent up to now is 223.6 secs Computing kpt #: 296 total cpu time spent up to now is 224.2 secs Computing kpt #: 297 total cpu time spent up to now is 224.9 secs Computing kpt #: 298 total cpu time spent up to now is 225.7 secs Computing kpt #: 299 total cpu time spent up to now is 226.4 secs Computing kpt #: 300 total cpu time spent up to now is 227.2 secs Computing kpt #: 301 total cpu time spent up to now is 227.9 secs Computing kpt #: 302 total cpu time spent up to now is 228.7 secs Computing kpt #: 303 total cpu time spent up to now is 229.4 secs Computing kpt #: 304 total cpu time spent up to now is 230.1 secs Computing kpt #: 305 total cpu time spent up to now is 230.8 secs Computing kpt #: 306 total cpu time spent up to now is 231.5 secs Computing kpt #: 307 total cpu time spent up to now is 232.2 secs Computing kpt #: 308 total cpu time spent up to now is 232.9 secs Computing kpt #: 309 total cpu time spent up to now is 233.6 secs Computing kpt #: 310 total cpu time spent up to now is 234.3 secs Computing kpt #: 311 total cpu time spent up to now is 235.0 secs Computing kpt #: 312 total cpu time spent up to now is 235.7 secs Computing kpt #: 313 total cpu time spent up to now is 236.3 secs Computing kpt #: 314 total cpu time spent up to now is 237.0 secs Computing kpt #: 315 total cpu time spent up to now is 237.8 secs Computing kpt #: 316 total cpu time spent up to now is 238.5 secs Computing kpt #: 317 total cpu time spent up to now is 239.2 secs Computing kpt #: 318 total cpu time spent up to now is 239.9 secs Computing kpt #: 319 total cpu time spent up to now is 240.6 secs Computing kpt #: 320 total cpu time spent up to now is 241.3 secs Computing kpt #: 321 total cpu time spent up to now is 242.0 secs Computing kpt #: 322 total cpu time spent up to now is 242.6 secs Computing kpt #: 323 total cpu time spent up to now is 243.3 secs Computing kpt #: 324 total cpu time spent up to now is 244.0 secs Computing kpt #: 325 total cpu time spent up to now is 244.6 secs Computing kpt #: 326 total cpu time spent up to now is 245.3 secs Computing kpt #: 327 total cpu time spent up to now is 245.9 secs Computing kpt #: 328 total cpu time spent up to now is 246.6 secs Computing kpt #: 329 total cpu time spent up to now is 247.2 secs Computing kpt #: 330 total cpu time spent up to now is 247.9 secs Computing kpt #: 331 total cpu time spent up to now is 248.5 secs Computing kpt #: 332 total cpu time spent up to now is 249.2 secs Computing kpt #: 333 total cpu time spent up to now is 249.8 secs Computing kpt #: 334 total cpu time spent up to now is 250.4 secs Computing kpt #: 335 total cpu time spent up to now is 251.0 secs Computing kpt #: 336 total cpu time spent up to now is 251.7 secs Computing kpt #: 337 total cpu time spent up to now is 252.3 secs Computing kpt #: 338 total cpu time spent up to now is 252.9 secs Computing kpt #: 339 total cpu time spent up to now is 253.5 secs Computing kpt #: 340 total cpu time spent up to now is 254.1 secs Computing kpt #: 341 total cpu time spent up to now is 254.7 secs Computing kpt #: 342 total cpu time spent up to now is 255.3 secs Computing kpt #: 343 total cpu time spent up to now is 255.9 secs Computing kpt #: 344 total cpu time spent up to now is 256.5 secs Computing kpt #: 345 total cpu time spent up to now is 257.6 secs Computing kpt #: 346 total cpu time spent up to now is 258.6 secs Computing kpt #: 347 total cpu time spent up to now is 259.6 secs Computing kpt #: 348 total cpu time spent up to now is 260.6 secs Computing kpt #: 349 total cpu time spent up to now is 261.6 secs Computing kpt #: 350 total cpu time spent up to now is 262.5 secs Computing kpt #: 351 total cpu time spent up to now is 263.5 secs Computing kpt #: 352 total cpu time spent up to now is 264.4 secs Computing kpt #: 353 total cpu time spent up to now is 265.2 secs Computing kpt #: 354 total cpu time spent up to now is 266.1 secs Computing kpt #: 355 total cpu time spent up to now is 266.9 secs Computing kpt #: 356 total cpu time spent up to now is 267.7 secs Computing kpt #: 357 total cpu time spent up to now is 268.4 secs Computing kpt #: 358 total cpu time spent up to now is 269.1 secs Computing kpt #: 359 total cpu time spent up to now is 269.9 secs Computing kpt #: 360 total cpu time spent up to now is 270.6 secs Computing kpt #: 361 total cpu time spent up to now is 271.3 secs Computing kpt #: 362 total cpu time spent up to now is 272.0 secs Computing kpt #: 363 total cpu time spent up to now is 272.8 secs Computing kpt #: 364 total cpu time spent up to now is 273.5 secs Computing kpt #: 365 total cpu time spent up to now is 274.3 secs Computing kpt #: 366 total cpu time spent up to now is 275.0 secs Computing kpt #: 367 total cpu time spent up to now is 275.7 secs Computing kpt #: 368 total cpu time spent up to now is 276.4 secs Computing kpt #: 369 total cpu time spent up to now is 276.9 secs Computing kpt #: 370 total cpu time spent up to now is 277.3 secs Computing kpt #: 371 total cpu time spent up to now is 277.8 secs Computing kpt #: 372 total cpu time spent up to now is 278.3 secs Computing kpt #: 373 total cpu time spent up to now is 278.8 secs Computing kpt #: 374 total cpu time spent up to now is 279.3 secs Computing kpt #: 375 total cpu time spent up to now is 279.8 secs Computing kpt #: 376 total cpu time spent up to now is 280.3 secs Computing kpt #: 377 total cpu time spent up to now is 280.9 secs Computing kpt #: 378 total cpu time spent up to now is 281.4 secs Computing kpt #: 379 total cpu time spent up to now is 282.0 secs Computing kpt #: 380 total cpu time spent up to now is 282.6 secs Computing kpt #: 381 total cpu time spent up to now is 283.2 secs Computing kpt #: 382 total cpu time spent up to now is 283.8 secs Computing kpt #: 383 total cpu time spent up to now is 284.4 secs Computing kpt #: 384 total cpu time spent up to now is 285.0 secs Computing kpt #: 385 total cpu time spent up to now is 285.7 secs Computing kpt #: 386 total cpu time spent up to now is 286.3 secs Computing kpt #: 387 total cpu time spent up to now is 287.0 secs Computing kpt #: 388 total cpu time spent up to now is 287.6 secs Computing kpt #: 389 total cpu time spent up to now is 288.3 secs Computing kpt #: 390 total cpu time spent up to now is 289.0 secs Computing kpt #: 391 total cpu time spent up to now is 289.6 secs Computing kpt #: 392 total cpu time spent up to now is 290.3 secs ethr = 3.13E-08, avg # of iterations = 38.1 total cpu time spent up to now is 290.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5603 PWs) bands (ev): -2.1772 -2.1772 -1.0264 -1.0264 3.7321 3.7321 3.9739 3.9739 4.9646 4.9646 5.4974 5.4974 6.2914 6.2914 6.3475 6.3475 6.4775 6.4775 6.6425 6.6425 7.7755 7.7755 8.1207 8.1207 8.8782 8.8782 9.6339 9.6339 9.8978 9.8978 9.8987 9.8987 10.0216 10.0216 10.2102 10.2102 10.5492 10.5492 10.8658 10.8658 k = 0.0119-0.0000-0.0000 ( 5593 PWs) bands (ev): -2.1756 -2.1756 -1.0253 -1.0253 3.7322 3.7322 3.9756 3.9756 4.9540 4.9540 5.5030 5.5030 6.2923 6.2923 6.3185 6.3185 6.4792 6.4792 6.6632 6.6632 7.7830 7.7830 8.1187 8.1187 8.8735 8.8735 9.6347 9.6347 9.8889 9.8889 9.9062 9.9062 10.0108 10.0108 10.2169 10.2169 10.5471 10.5471 10.8784 10.8784 k = 0.0238-0.0000-0.0000 ( 5591 PWs) bands (ev): -2.1711 -2.1711 -1.0220 -1.0220 3.7325 3.7325 3.9806 3.9806 4.9237 4.9237 5.5185 5.5185 6.2461 6.2461 6.2975 6.2975 6.4841 6.4841 6.7087 6.7087 7.8051 7.8051 8.1128 8.1128 8.8599 8.8599 9.6366 9.6366 9.8699 9.8699 9.9220 9.9220 9.9804 9.9804 10.2360 10.2360 10.5409 10.5409 10.9142 10.9142 k = 0.0357-0.0000-0.0000 ( 5598 PWs) bands (ev): -2.1635 -2.1635 -1.0166 -1.0166 3.7327 3.7327 3.9890 3.9890 4.8767 4.8767 5.5410 5.5410 6.1546 6.1546 6.3038 6.3038 6.4923 6.4923 6.7585 6.7585 7.8413 7.8413 8.1031 8.1031 8.8377 8.8377 9.6391 9.6391 9.8427 9.8427 9.9245 9.9245 9.9568 9.9568 10.2649 10.2649 10.5310 10.5310 10.9684 10.9684 k = 0.0476-0.0000-0.0000 ( 5600 PWs) bands (ev): -2.1529 -2.1529 -1.0090 -1.0090 3.7328 3.7328 4.0008 4.0008 4.8164 4.8164 5.5676 5.5676 6.0524 6.0524 6.3129 6.3129 6.5038 6.5038 6.8040 6.8040 7.8904 7.8904 8.0896 8.0896 8.8079 8.8079 9.6413 9.6413 9.8102 9.8102 9.8681 9.8681 9.9902 9.9902 10.3008 10.3008 10.5178 10.5178 11.0359 11.0359 k = 0.0595-0.0000-0.0000 ( 5600 PWs) bands (ev): -2.1392 -2.1392 -0.9993 -0.9993 3.7322 3.7322 4.0158 4.0158 4.7455 4.7455 5.5961 5.5961 5.9446 5.9446 6.3246 6.3246 6.5183 6.5183 6.8422 6.8422 7.9505 7.9505 8.0725 8.0725 8.7712 8.7712 9.6420 9.6420 9.7740 9.7740 9.8012 9.8012 10.0363 10.0363 10.3414 10.3414 10.5018 10.5018 11.1125 11.1125 k = 0.0714-0.0000-0.0000 ( 5614 PWs) bands (ev): -2.1225 -2.1225 -0.9873 -0.9873 3.7306 3.7306 4.0341 4.0341 4.6662 4.6662 5.6248 5.6248 5.8342 5.8342 6.3387 6.3387 6.5359 6.5359 6.8729 6.8729 8.0179 8.0179 8.0537 8.0537 8.7288 8.7288 9.6398 9.6398 9.7246 9.7246 9.7413 9.7413 10.0909 10.0909 10.3854 10.3854 10.4838 10.4838 11.1952 11.1952 k = 0.0833-0.0000-0.0000 ( 5604 PWs) bands (ev): -2.1028 -2.1028 -0.9733 -0.9733 3.7271 3.7271 4.0557 4.0557 4.5799 4.5799 5.6528 5.6528 5.7234 5.7234 6.3552 6.3552 6.5564 6.5564 6.8965 6.8965 8.0246 8.0246 8.0993 8.0993 8.6815 8.6815 9.6298 9.6298 9.6558 9.6558 9.7015 9.7015 10.1525 10.1525 10.4294 10.4294 10.4672 10.4672 11.2817 11.2817 k = 0.0952-0.0000-0.0000 ( 5610 PWs) bands (ev): -2.0801 -2.0801 -0.9570 -0.9570 3.7211 3.7211 4.0805 4.0805 4.4879 4.4879 5.6131 5.6131 5.6809 5.6809 6.3741 6.3741 6.5796 6.5796 6.9142 6.9142 7.9974 7.9974 8.1806 8.1806 8.6303 8.6303 9.5704 9.5704 9.6287 9.6287 9.6632 9.6632 10.2190 10.2190 10.4363 10.4363 10.4904 10.4904 11.3704 11.3704 k = 0.1071-0.0000-0.0000 ( 5606 PWs) bands (ev): -2.0544 -2.0544 -0.9386 -0.9386 3.7115 3.7115 4.1083 4.1083 4.3912 4.3912 5.5069 5.5069 5.7068 5.7068 6.3951 6.3951 6.6053 6.6053 6.9270 6.9270 7.9664 7.9664 8.2659 8.2659 8.5758 8.5758 9.4948 9.4948 9.6114 9.6114 9.6262 9.6262 10.2869 10.2869 10.4187 10.4187 10.5431 10.5431 11.4598 11.4598 k = 0.1190-0.0000-0.0000 ( 5602 PWs) bands (ev): -2.0257 -2.0257 -0.9180 -0.9180 3.6971 3.6971 4.1389 4.1389 4.2906 4.2906 5.4055 5.4055 5.7317 5.7317 6.4181 6.4181 6.6333 6.6333 6.9358 6.9358 7.9322 7.9322 8.3528 8.3528 8.5189 8.5189 9.4189 9.4189 9.5829 9.5829 9.5956 9.5956 10.3425 10.3425 10.4133 10.4133 10.6022 10.6022 11.5406 11.5407 k = 0.1310-0.0000-0.0000 ( 5598 PWs) bands (ev): -1.9941 -1.9941 -0.8953 -0.8953 3.6764 3.6764 4.1654 4.1654 4.1938 4.1938 5.3110 5.3110 5.7555 5.7555 6.4430 6.4430 6.6633 6.6633 6.9414 6.9414 7.8951 7.8951 8.4370 8.4370 8.4635 8.4635 9.3443 9.3443 9.5467 9.5467 9.5672 9.5672 10.3485 10.3485 10.4569 10.4569 10.6674 10.6674 11.5290 11.5290 k = 0.1429-0.0000-0.0000 ( 5604 PWs) bands (ev): -1.9594 -1.9594 -0.8704 -0.8704 3.6479 3.6479 4.0763 4.0763 4.2127 4.2127 5.2253 5.2253 5.7782 5.7782 6.4696 6.4696 6.6950 6.6950 6.9446 6.9446 7.8554 7.8554 8.3984 8.3984 8.5286 8.5286 9.2715 9.2715 9.5100 9.5100 9.5335 9.5335 10.3314 10.3314 10.5218 10.5218 10.7396 10.7396 11.5160 11.5160 k = 0.1548-0.0000-0.0000 ( 5610 PWs) bands (ev): -1.9219 -1.9219 -0.8434 -0.8434 3.6102 3.6102 3.9671 3.9671 4.2521 4.2521 5.1503 5.1503 5.8001 5.8001 6.4976 6.4976 6.7279 6.7279 6.9459 6.9459 7.8132 7.8132 8.3378 8.3378 8.6130 8.6130 9.2010 9.2010 9.4736 9.4736 9.4937 9.4937 10.3123 10.3123 10.5866 10.5866 10.8194 10.8194 11.5104 11.5104 k = 0.1667-0.0000-0.0000 ( 5614 PWs) bands (ev): -1.8814 -1.8814 -0.8142 -0.8142 3.5621 3.5621 3.8556 3.8556 4.2948 4.2948 5.0873 5.0873 5.8212 5.8212 6.5267 6.5267 6.7617 6.7617 6.9459 6.9459 7.7687 7.7687 8.2767 8.2767 8.6945 8.6945 9.1333 9.1333 9.4370 9.4370 9.4488 9.4488 10.2950 10.2950 10.6482 10.6482 10.9058 10.9058 11.5126 11.5126 k = 0.1786-0.0000-0.0000 ( 5616 PWs) bands (ev): -1.8380 -1.8380 -0.7829 -0.7829 3.5028 3.5028 3.7423 3.7423 4.3404 4.3404 5.0373 5.0373 5.8418 5.8418 6.5568 6.5568 6.7959 6.7959 6.9450 6.9450 7.7223 7.7223 8.2158 8.2158 8.7715 8.7715 9.0689 9.0689 9.3927 9.3927 9.4068 9.4068 10.2814 10.2814 10.7066 10.7066 10.9976 10.9976 11.5223 11.5223 k = 0.1905-0.0000-0.0000 ( 5604 PWs) bands (ev): -1.7917 -1.7917 -0.7494 -0.7494 3.4321 3.4321 3.6279 3.6279 4.3887 4.3887 5.0008 5.0008 5.8619 5.8619 6.5873 6.5873 6.8296 6.8296 6.9436 6.9436 7.6742 7.6742 8.1558 8.1558 8.8428 8.8428 9.0080 9.0080 9.3364 9.3364 9.3723 9.3723 10.2730 10.2730 10.7624 10.7624 11.0932 11.0932 11.5392 11.5392 k = 0.2024-0.0000-0.0000 ( 5586 PWs) bands (ev): -1.7425 -1.7425 -0.7138 -0.7138 3.3505 3.3505 3.5125 3.5125 4.4396 4.4396 4.9773 4.9773 5.8816 5.8816 6.6179 6.6179 6.8620 6.8620 6.9424 6.9424 7.6245 7.6245 8.0972 8.0972 8.9063 8.9063 8.9517 8.9517 9.2746 9.2746 9.3398 9.3398 10.2716 10.2716 10.8163 10.8163 11.1912 11.1912 11.5630 11.5630 k = 0.2143-0.0000-0.0000 ( 5584 PWs) bands (ev): -1.6905 -1.6905 -0.6761 -0.6761 3.2589 3.2589 3.3966 3.3966 4.4930 4.4930 4.9661 4.9661 5.9012 5.9012 6.6480 6.6480 6.8913 6.8913 6.9429 6.9429 7.5735 7.5735 8.0406 8.0406 8.8978 8.8978 8.9634 8.9634 9.2084 9.2084 9.3087 9.3087 10.2786 10.2786 10.8688 10.8688 11.2905 11.2905 11.5932 11.5932 k = 0.2262-0.0000-0.0000 ( 5580 PWs) bands (ev): -1.6357 -1.6357 -0.6362 -0.6362 3.1588 3.1588 3.2803 3.2803 4.5487 4.5487 4.9659 4.9659 5.9206 5.9206 6.6770 6.6770 6.9127 6.9127 6.9491 6.9491 7.5216 7.5216 7.9867 7.9867 8.8506 8.8506 9.0088 9.0088 9.1386 9.1386 9.2790 9.2790 10.2956 10.2956 10.9203 10.9203 11.3902 11.3902 11.6294 11.6294 k = 0.2381-0.0000-0.0000 ( 5578 PWs) bands (ev): -1.5780 -1.5780 -0.5942 -0.5942 3.0514 3.0514 3.1639 3.1639 4.6067 4.6067 4.9755 4.9755 5.9401 5.9401 6.7043 6.7043 6.9213 6.9213 6.9656 6.9656 7.4688 7.4688 7.9360 7.9360 8.8084 8.8084 9.0429 9.0429 9.0667 9.0667 9.2506 9.2506 10.3236 10.3236 10.9709 10.9709 11.4899 11.4899 11.6712 11.6712 k = 0.2500-0.0000-0.0000 ( 5586 PWs) bands (ev): -1.5176 -1.5176 -0.5501 -0.5501 2.9380 2.9380 3.0477 3.0477 4.6668 4.6668 4.9935 4.9935 5.9596 5.9596 6.7289 6.7289 6.9232 6.9232 6.9855 6.9855 7.4155 7.4155 7.8895 7.8895 8.7720 8.7720 8.9901 8.9901 9.0684 9.0684 9.2237 9.2237 10.3632 10.3632 11.0209 11.0209 11.5890 11.5890 11.7181 11.7181 k = 0.2619-0.0000-0.0000 ( 5588 PWs) bands (ev): -1.4544 -1.4544 -0.5038 -0.5038 2.8200 2.8200 2.9317 2.9317 4.7289 4.7289 5.0188 5.0188 5.9794 5.9794 6.7500 6.7500 6.9237 6.9237 7.0030 7.0030 7.3620 7.3620 7.8479 7.8479 8.7417 8.7417 8.9134 8.9134 9.0814 9.0814 9.1983 9.1983 10.4142 10.4142 11.0704 11.0704 11.6872 11.6872 11.7699 11.7699 k = 0.2738-0.0000-0.0000 ( 5602 PWs) bands (ev): -1.3884 -1.3884 -0.4555 -0.4555 2.6983 2.6983 2.8163 2.8163 4.7928 4.7928 5.0503 5.0503 5.9995 5.9995 6.7666 6.7666 6.9242 6.9242 7.0158 7.0158 7.3086 7.3086 7.8121 7.8121 8.7178 8.7178 8.8354 8.8354 9.0844 9.0844 9.1743 9.1743 10.4762 10.4762 11.1193 11.1193 11.7840 11.7840 11.8264 11.8264 k = 0.2857-0.0000-0.0000 ( 5610 PWs) bands (ev): -1.3198 -1.3198 -0.4050 -0.4050 2.5739 2.5739 2.7015 2.7015 4.8585 4.8585 5.0872 5.0872 6.0199 6.0199 6.7777 6.7777 6.9254 6.9254 7.0225 7.0225 7.2558 7.2558 7.7827 7.7827 8.7004 8.7004 8.7570 8.7570 9.0784 9.0784 9.1519 9.1519 10.5479 10.5479 11.1678 11.1678 11.8765 11.8765 11.8902 11.8902 k = 0.2976-0.0000-0.0000 ( 5618 PWs) bands (ev): -1.2485 -1.2485 -0.3525 -0.3525 2.4475 2.4475 2.5874 2.5874 4.9258 4.9258 5.1286 5.1286 6.0407 6.0407 6.7825 6.7825 6.9274 6.9274 7.0223 7.0223 7.2042 7.2042 7.7603 7.7603 8.6766 8.6766 8.6918 8.6918 9.0649 9.0649 9.1310 9.1310 10.6282 10.6282 11.2159 11.2159 11.9477 11.9477 11.9777 11.9777 k = 0.3095-0.0000-0.0000 ( 5612 PWs) bands (ev): -1.1746 -1.1746 -0.2978 -0.2978 2.3197 2.3197 2.4743 2.4743 4.9945 4.9945 5.1740 5.1740 6.0621 6.0621 6.7805 6.7805 6.9304 6.9304 7.0139 7.0139 7.1550 7.1550 7.7451 7.7451 8.6000 8.6000 8.6864 8.6864 9.0449 9.0449 9.1115 9.1115 10.7159 10.7159 11.2635 11.2635 12.0157 12.0157 12.0706 12.0706 k = 0.3214-0.0000-0.0000 ( 5610 PWs) bands (ev): -1.0980 -1.0980 -0.2411 -0.2411 2.1910 2.1910 2.3622 2.3622 5.0644 5.0644 5.2228 5.2228 6.0840 6.0840 6.7713 6.7713 6.9336 6.9336 6.9966 6.9966 7.1097 7.1097 7.7367 7.7367 8.5239 8.5239 8.6881 8.6881 9.0198 9.0198 9.0936 9.0936 10.8096 10.8096 11.3106 11.3106 12.0863 12.0863 12.1624 12.1624 k = 0.3333-0.0000-0.0000 ( 5618 PWs) bands (ev): -1.0188 -1.0188 -0.1823 -0.1823 2.0619 2.0619 2.2512 2.2512 5.1355 5.1355 5.2744 5.2744 6.1066 6.1066 6.7551 6.7551 6.9334 6.9334 6.9735 6.9735 7.0695 7.0695 7.7342 7.7342 8.4503 8.4503 8.6953 8.6953 8.9906 8.9906 9.0770 9.0770 10.9084 10.9084 11.3572 11.3572 12.1596 12.1596 12.2523 12.2523 k = 0.3452-0.0000-0.0000 ( 5614 PWs) bands (ev): -0.9371 -0.9371 -0.1214 -0.1214 1.9327 1.9327 2.1414 2.1414 5.2075 5.2075 5.3286 5.3286 6.1299 6.1299 6.7323 6.7323 6.9121 6.9121 6.9633 6.9633 7.0339 7.0339 7.7358 7.7358 8.3807 8.3807 8.7071 8.7071 8.9580 8.9580 9.0619 9.0619 11.0113 11.0113 11.4033 11.4033 12.2342 12.2342 12.3039 12.3039 k = 0.3571-0.0000-0.0000 ( 5618 PWs) bands (ev): -0.8529 -0.8529 -0.0585 -0.0585 1.8038 1.8038 2.0330 2.0330 5.2803 5.2803 5.3848 5.3848 6.1539 6.1539 6.7036 6.7036 6.8698 6.8698 6.9682 6.9682 7.0011 7.0011 7.7391 7.7391 8.3169 8.3169 8.7225 8.7225 8.9226 8.9226 9.0481 9.0481 11.1174 11.1174 11.4488 11.4488 12.2704 12.2704 12.3199 12.3199 k = 0.3690-0.0000-0.0000 ( 5624 PWs) bands (ev): -0.7661 -0.7661 0.0065 0.0065 1.6753 1.6753 1.9259 1.9259 5.3538 5.3538 5.4428 5.4428 6.1788 6.1788 6.6698 6.6698 6.8204 6.8204 6.9599 6.9599 6.9865 6.9865 7.7408 7.7408 8.2615 8.2615 8.7407 8.7407 8.8853 8.8853 9.0356 9.0356 11.2260 11.2260 11.4937 11.4937 12.2441 12.2441 12.3976 12.3976 k = 0.3810-0.0000-0.0000 ( 5636 PWs) bands (ev): -0.6770 -0.6770 0.0736 0.0736 1.5476 1.5476 1.8202 1.8202 5.4276 5.4276 5.5022 5.5022 6.2045 6.2045 6.6316 6.6316 6.7678 6.7678 6.9259 6.9259 6.9991 6.9991 7.7369 7.7369 8.2179 8.2179 8.7605 8.7605 8.8464 8.8464 9.0244 9.0244 11.3362 11.3362 11.5379 11.5379 12.2146 12.2146 12.4792 12.4792 k = 0.3929-0.0000-0.0000 ( 5632 PWs) bands (ev): -0.5854 -0.5854 0.1427 0.1427 1.4207 1.4207 1.7161 1.7161 5.5017 5.5017 5.5629 5.5629 6.2312 6.2312 6.5899 6.5899 6.7133 6.7133 6.8883 6.8883 7.0167 7.0167 7.7235 7.7235 8.1893 8.1893 8.7792 8.7792 8.8083 8.8083 9.0141 9.0141 11.4472 11.4472 11.5815 11.5815 12.1848 12.1848 12.5619 12.5620 k = 0.4048-0.0000-0.0000 ( 5644 PWs) bands (ev): -0.4914 -0.4914 0.2138 0.2138 1.2949 1.2949 1.6134 1.6134 5.5758 5.5758 5.6244 5.6244 6.2588 6.2588 6.5450 6.5450 6.6573 6.6573 6.8488 6.8488 7.0374 7.0374 7.6985 7.6985 8.1772 8.1772 8.7606 8.7606 8.8066 8.8066 9.0048 9.0048 11.5576 11.5576 11.6253 11.6253 12.1553 12.1553 12.6443 12.6443 k = 0.4167-0.0000-0.0000 ( 5644 PWs) bands (ev): -0.3951 -0.3951 0.2869 0.2869 1.1703 1.1703 1.5125 1.5125 5.6496 5.6496 5.6866 5.6866 6.2874 6.2874 6.4977 6.4977 6.6001 6.6001 6.8080 6.8080 7.0611 7.0611 7.6626 7.6626 8.1808 8.1808 8.7192 8.7192 8.8266 8.8266 8.9962 8.9962 11.6533 11.6533 11.6826 11.6826 12.1262 12.1262 12.7222 12.7222 k = 0.4286-0.0000-0.0000 ( 5640 PWs) bands (ev): -0.2965 -0.2965 0.3620 0.3620 1.0470 1.0470 1.4131 1.4131 5.7229 5.7229 5.7494 5.7494 6.3169 6.3169 6.4483 6.4483 6.5417 6.5417 6.7665 6.7665 7.0879 7.0879 7.6183 7.6183 8.1969 8.1969 8.6762 8.6762 8.8466 8.8466 8.9882 8.9882 11.7013 11.7013 11.7853 11.7853 12.0975 12.0975 12.7686 12.7686 k = 0.4405-0.0000-0.0000 ( 5646 PWs) bands (ev): -0.1957 -0.1957 0.4390 0.4390 0.9252 0.9252 1.3155 1.3155 5.7950 5.7950 5.8130 5.8130 6.3468 6.3468 6.3973 6.3973 6.4823 6.4823 6.7247 6.7247 7.1178 7.1178 7.5689 7.5689 8.2222 8.2222 8.6325 8.6325 8.8655 8.8655 8.9804 8.9804 11.7414 11.7414 11.8928 11.8928 12.0696 12.0696 12.7394 12.7394 k = 0.4524-0.0000-0.0000 ( 5646 PWs) bands (ev): -0.0926 -0.0926 0.5180 0.5180 0.8049 0.8049 1.2196 1.2196 5.8643 5.8643 5.8784 5.8784 6.3425 6.3425 6.3772 6.3772 6.4246 6.4246 6.6831 6.6831 7.1509 7.1509 7.5170 7.5170 8.2539 8.2539 8.5885 8.5885 8.8830 8.8830 8.9727 8.9727 11.7795 11.7795 11.9939 11.9939 12.0464 12.0464 12.6860 12.6860 k = 0.4643-0.0000-0.0000 ( 5650 PWs) bands (ev): 0.0126 0.0126 0.5986 0.5986 0.6867 0.6867 1.1254 1.1254 5.9294 5.9294 5.9467 5.9467 6.2888 6.2888 6.3527 6.3527 6.4190 6.4190 6.6419 6.6419 7.1872 7.1872 7.4645 7.4645 8.2899 8.2899 8.5442 8.5442 8.8990 8.8990 8.9648 8.9648 11.8161 11.8161 12.0065 12.0065 12.1086 12.1086 12.6233 12.6233 k = 0.4762-0.0000-0.0000 ( 5662 PWs) bands (ev): 0.1199 0.1199 0.5687 0.5687 0.6826 0.6826 1.0331 1.0331 5.9915 5.9915 6.0156 6.0156 6.2336 6.2336 6.2909 6.2909 6.4514 6.4514 6.6015 6.6015 7.2266 7.2266 7.4127 7.4127 8.3290 8.3290 8.5000 8.5000 8.9133 8.9133 8.9565 8.9565 11.8514 11.8514 11.9788 11.9788 12.2067 12.2067 12.5530 12.5530 k = 0.4881-0.0000-0.0000 ( 5662 PWs) bands (ev): 0.2292 0.2292 0.4538 0.4538 0.7672 0.7672 0.9426 0.9426 6.0513 6.0513 6.0816 6.0816 6.1795 6.1795 6.2267 6.2267 6.4868 6.4868 6.5621 6.5621 7.2691 7.2691 7.3625 7.3625 8.3701 8.3701 8.4561 8.4561 8.9260 8.9260 8.9474 8.9474 11.8852 11.8852 11.9489 11.9489 12.3016 12.3016 12.4755 12.4755 k = 0.5000-0.0000-0.0000 ( 5652 PWs) bands (ev): 0.3406 0.3406 0.3406 0.3406 0.8540 0.8540 0.8540 0.8540 6.1038 6.1038 6.1038 6.1038 6.1670 6.1670 6.1670 6.1670 6.5238 6.5238 6.5238 6.5238 7.3145 7.3145 7.3145 7.3145 8.4127 8.4127 8.4127 8.4127 8.9373 8.9373 8.9373 8.9373 11.9177 11.9177 11.9177 11.9177 12.3915 12.3915 12.3915 12.3915 k = 0.5000-0.0000-0.0000 ( 5652 PWs) bands (ev): 0.3406 0.3406 0.3406 0.3406 0.8540 0.8540 0.8540 0.8540 6.1038 6.1038 6.1038 6.1038 6.1670 6.1670 6.1670 6.1670 6.5238 6.5238 6.5238 6.5238 7.3145 7.3145 7.3145 7.3145 8.4127 8.4127 8.4127 8.4127 8.9373 8.9373 8.9373 8.9373 11.9177 11.9177 11.9177 11.9177 12.3915 12.3915 12.3915 12.3915 k = 0.5000 0.0119-0.0000 ( 5656 PWs) bands (ev): 0.3408 0.3408 0.3410 0.3410 0.8536 0.8536 0.8550 0.8550 6.0676 6.0676 6.0784 6.0784 6.1918 6.1918 6.2046 6.2046 6.5200 6.5200 6.5232 6.5232 7.3145 7.3145 7.3159 7.3159 8.4152 8.4152 8.4154 8.4154 8.9371 8.9371 8.9381 8.9381 11.9073 11.9073 11.9128 11.9128 12.3904 12.3904 12.3926 12.3926 k = 0.5000 0.0238-0.0000 ( 5656 PWs) bands (ev): 0.3416 0.3416 0.3420 0.3420 0.8539 0.8539 0.8566 0.8566 6.0180 6.0180 6.0288 6.0288 6.2416 6.2416 6.2562 6.2562 6.5121 6.5121 6.5186 6.5186 7.3157 7.3157 7.3186 7.3186 8.4230 8.4230 8.4235 8.4235 8.9374 8.9374 8.9394 8.9394 11.8825 11.8825 11.8928 11.8928 12.3892 12.3892 12.3933 12.3933 k = 0.5000 0.0357-0.0000 ( 5646 PWs) bands (ev): 0.3431 0.3431 0.3436 0.3436 0.8549 0.8549 0.8589 0.8589 5.9672 5.9672 5.9771 5.9771 6.2940 6.2940 6.3088 6.3088 6.5003 6.5003 6.5106 6.5106 7.3183 7.3183 7.3227 7.3227 8.4359 8.4359 8.4365 8.4365 8.9383 8.9383 8.9413 8.9413 11.8448 11.8448 11.8590 11.8590 12.3872 12.3872 12.3926 12.3926 k = 0.5000 0.0476-0.0000 ( 5648 PWs) bands (ev): 0.3451 0.3451 0.3458 0.3458 0.8565 0.8565 0.8618 0.8618 5.9171 5.9171 5.9258 5.9258 6.3456 6.3456 6.3587 6.3587 6.4859 6.4859 6.5017 6.5017 7.3222 7.3222 7.3281 7.3281 8.4536 8.4536 8.4544 8.4544 8.9398 8.9398 8.9439 8.9439 11.7960 11.7960 11.8131 11.8131 12.3832 12.3832 12.3896 12.3896 k = 0.5000 0.0595-0.0000 ( 5640 PWs) bands (ev): 0.3478 0.3478 0.3486 0.3486 0.8587 0.8587 0.8652 0.8652 5.8679 5.8679 5.8754 5.8754 6.3908 6.3908 6.3980 6.3980 6.4741 6.4741 6.4992 6.4992 7.3275 7.3275 7.3348 7.3348 8.4759 8.4759 8.4766 8.4766 8.9422 8.9422 8.9472 8.9472 11.7381 11.7381 11.7570 11.7570 12.3759 12.3759 12.3829 12.3829 k = 0.5000 0.0714-0.0000 ( 5644 PWs) bands (ev): 0.3510 0.3510 0.3520 0.3520 0.8615 0.8615 0.8692 0.8692 5.8201 5.8201 5.8265 5.8265 6.4079 6.4079 6.4101 6.4101 6.4867 6.4867 6.5200 6.5200 7.3342 7.3342 7.3429 7.3429 8.5023 8.5023 8.5028 8.5028 8.9455 8.9455 8.9515 8.9515 11.6725 11.6725 11.6924 11.6924 12.3635 12.3635 12.3711 12.3711 k = 0.5000 0.0833-0.0000 ( 5632 PWs) bands (ev): 0.3547 0.3547 0.3559 0.3559 0.8648 0.8648 0.8736 0.8736 5.7739 5.7739 5.7791 5.7791 6.3912 6.3912 6.3965 6.3965 6.5292 6.5292 6.5624 6.5624 7.3422 7.3422 7.3524 7.3524 8.5323 8.5323 8.5326 8.5326 8.9499 8.9499 8.9569 8.9569 11.6007 11.6007 11.6210 11.6210 12.3439 12.3439 12.3521 12.3521 k = 0.5000 0.0952-0.0000 ( 5634 PWs) bands (ev): 0.3590 0.3590 0.3603 0.3603 0.8685 0.8685 0.8784 0.8784 5.7295 5.7295 5.7335 5.7335 6.3633 6.3633 6.3716 6.3716 6.5792 6.5792 6.6121 6.6121 7.3517 7.3517 7.3633 7.3633 8.5653 8.5653 8.5655 8.5655 8.9557 8.9557 8.9637 8.9637 11.5238 11.5238 11.5439 11.5439 12.3148 12.3148 12.3240 12.3240 k = 0.5000 0.1071-0.0000 ( 5630 PWs) bands (ev): 0.3638 0.3638 0.3652 0.3652 0.8727 0.8727 0.8835 0.8835 5.6870 5.6870 5.6900 5.6900 6.3308 6.3308 6.3412 6.3412 6.6303 6.6303 6.6633 6.6633 7.3628 7.3628 7.3757 7.3757 8.6004 8.6004 8.6012 8.6012 8.9632 8.9632 8.9722 8.9722 11.4424 11.4424 11.4621 11.4621 12.2743 12.2743 12.2847 12.2847 k = 0.5000 0.1190-0.0000 ( 5626 PWs) bands (ev): 0.3690 0.3690 0.3706 0.3706 0.8772 0.8772 0.8889 0.8889 5.6467 5.6467 5.6487 5.6487 6.2952 6.2952 6.3072 6.3072 6.6808 6.6808 6.7143 6.7143 7.3754 7.3754 7.3897 7.3897 8.6373 8.6373 8.6389 8.6389 8.9729 8.9729 8.9830 8.9830 11.3575 11.3575 11.3765 11.3765 12.2216 12.2216 12.2333 12.2333 k = 0.5000 0.1309-0.0000 ( 5630 PWs) bands (ev): 0.3746 0.3746 0.3764 0.3764 0.8821 0.8821 0.8945 0.8945 5.6087 5.6087 5.6098 5.6098 6.2575 6.2575 6.2706 6.2706 6.7301 6.7301 6.7640 6.7640 7.3897 7.3897 7.4052 7.4052 8.6754 8.6754 8.6779 8.6779 8.9852 8.9852 8.9964 8.9964 11.2694 11.2694 11.2877 11.2877 12.1571 12.1571 12.1701 12.1701 k = 0.5000 0.1428-0.0000 ( 5638 PWs) bands (ev): 0.3807 0.3807 0.3825 0.3825 0.8871 0.8871 0.9001 0.9001 5.5732 5.5732 5.5734 5.5734 6.2179 6.2179 6.2319 6.2319 6.7775 6.7775 6.8118 6.8118 7.4058 7.4058 7.4223 7.4223 8.7139 8.7139 8.7175 8.7175 9.0009 9.0009 9.0133 9.0133 11.1788 11.1788 11.1962 11.1962 12.0825 12.0825 12.0966 12.0966 k = 0.5000 0.1547-0.0000 ( 5632 PWs) bands (ev): 0.3870 0.3870 0.3890 0.3890 0.8923 0.8923 0.9058 0.9058 5.5397 5.5397 5.5403 5.5403 6.1770 6.1770 6.1916 6.1916 6.8229 6.8229 6.8573 6.8573 7.4237 7.4237 7.4410 7.4410 8.7522 8.7522 8.7570 8.7570 9.0206 9.0206 9.0342 9.0342 11.0861 11.0861 11.1025 11.1025 11.9997 11.9997 12.0146 12.0146 k = 0.5000 0.1666-0.0000 ( 5626 PWs) bands (ev): 0.3936 0.3936 0.3957 0.3957 0.8976 0.8976 0.9114 0.9114 5.5089 5.5089 5.5101 5.5101 6.1351 6.1351 6.1499 6.1499 6.8657 6.8657 6.9000 6.9000 7.4435 7.4435 7.4613 7.4613 8.7894 8.7894 8.7955 8.7955 9.0453 9.0453 9.0600 9.0600 10.9916 10.9916 11.0071 11.0071 11.9106 11.9106 11.9261 11.9261 k = 0.5000 0.1785-0.0000 ( 5614 PWs) bands (ev): 0.4005 0.4005 0.4026 0.4026 0.9028 0.9028 0.9169 0.9169 5.4811 5.4811 5.4829 5.4829 6.0924 6.0924 6.1074 6.1074 6.9057 6.9057 6.9395 6.9395 7.4652 7.4652 7.4832 7.4832 8.8253 8.8253 8.8326 8.8326 9.0755 9.0755 9.0913 9.0913 10.8959 10.8959 10.9105 10.9105 11.8168 11.8168 11.8327 11.8327 k = 0.5000 0.1904-0.0000 ( 5606 PWs) bands (ev): 0.4074 0.4074 0.4096 0.4096 0.9081 0.9081 0.9222 0.9222 5.4565 5.4565 5.4586 5.4586 6.0493 6.0493 6.0643 6.0643 6.9427 6.9427 6.9757 6.9757 7.4887 7.4887 7.5065 7.5065 8.8598 8.8598 8.8680 8.8680 9.1116 9.1116 9.1282 9.1282 10.7993 10.7993 10.8129 10.8129 11.7198 11.7198 11.7358 11.7358 k = 0.5000 0.2023-0.0000 ( 5594 PWs) bands (ev): 0.4145 0.4145 0.4167 0.4167 0.9132 0.9132 0.9273 0.9273 5.4350 5.4350 5.4374 5.4374 6.0060 6.0060 6.0208 6.0208 6.9766 6.9766 7.0082 7.0082 7.5136 7.5136 7.5309 7.5309 8.8931 8.8931 8.9022 8.9022 9.1534 9.1534 9.1705 9.1705 10.7021 10.7021 10.7148 10.7148 11.6206 11.6206 11.6366 11.6366 k = 0.5000 0.2142-0.0000 ( 5594 PWs) bands (ev): 0.4215 0.4215 0.4237 0.4237 0.9182 0.9182 0.9320 0.9320 5.4167 5.4167 5.4194 5.4194 5.9629 5.9629 5.9773 5.9773 7.0072 7.0072 7.0371 7.0371 7.5397 7.5397 7.5562 7.5562 8.9260 8.9260 8.9357 8.9357 9.2003 9.2003 9.2179 9.2179 10.6049 10.6049 10.6166 10.6166 11.5203 11.5203 11.5360 11.5360 k = 0.5000 0.2261-0.0000 ( 5604 PWs) bands (ev): 0.4284 0.4284 0.4306 0.4306 0.9229 0.9229 0.9363 0.9363 5.4019 5.4019 5.4046 5.4046 5.9202 5.9202 5.9341 5.9341 7.0346 7.0346 7.0625 7.0625 7.5665 7.5665 7.5819 7.5819 8.9594 8.9594 8.9696 8.9696 9.2515 9.2515 9.2696 9.2696 10.5078 10.5078 10.5186 10.5186 11.4195 11.4195 11.4349 11.4349 k = 0.5000 0.2380-0.0000 ( 5610 PWs) bands (ev): 0.4351 0.4351 0.4373 0.4373 0.9274 0.9274 0.9402 0.9402 5.3903 5.3903 5.3930 5.3930 5.8782 5.8782 5.8915 5.8915 7.0589 7.0589 7.0845 7.0845 7.5935 7.5935 7.6075 7.6075 8.9940 8.9940 9.0048 9.0048 9.3062 9.3062 9.3248 9.3248 10.4115 10.4115 10.4212 10.4212 11.3193 11.3193 11.3342 11.3342 k = 0.5000 0.2499-0.0000 ( 5618 PWs) bands (ev): 0.4416 0.4416 0.4437 0.4437 0.9316 0.9316 0.9437 0.9437 5.3820 5.3820 5.3846 5.3846 5.8373 5.8373 5.8498 5.8498 7.0803 7.0803 7.1034 7.1034 7.6200 7.6200 7.6325 7.6325 9.0306 9.0306 9.0421 9.0421 9.3635 9.3635 9.3828 9.3828 10.3162 10.3162 10.3247 10.3247 11.2202 11.2202 11.2345 11.2345 k = 0.5000 0.2618-0.0000 ( 5614 PWs) bands (ev): 0.4477 0.4477 0.4497 0.4497 0.9355 0.9355 0.9467 0.9467 5.3770 5.3770 5.3793 5.3793 5.7977 5.7977 5.8093 5.8093 7.0988 7.0988 7.1194 7.1194 7.6454 7.6454 7.6564 7.6564 9.0700 9.0700 9.0821 9.0821 9.4225 9.4225 9.4427 9.4427 10.2224 10.2224 10.2295 10.2295 11.1233 11.1233 11.1368 11.1368 k = 0.5000 0.2737-0.0000 ( 5626 PWs) bands (ev): 0.4534 0.4534 0.4552 0.4552 0.9391 0.9391 0.9493 0.9493 5.3751 5.3751 5.3770 5.3770 5.7598 5.7598 5.7705 5.7705 7.1148 7.1148 7.1327 7.1327 7.6691 7.6691 7.6787 7.6787 9.1125 9.1125 9.1254 9.1254 9.4822 9.4822 9.5039 9.5039 10.1307 10.1307 10.1358 10.1358 11.0293 11.0293 11.0419 11.0419 k = 0.5000 0.2856-0.0000 ( 5624 PWs) bands (ev): 0.4585 0.4585 0.4602 0.4602 0.9423 0.9423 0.9514 0.9514 5.3760 5.3760 5.3775 5.3775 5.7242 5.7242 5.7338 5.7338 7.1284 7.1284 7.1437 7.1437 7.6907 7.6907 7.6988 7.6988 9.1586 9.1586 9.1724 9.1724 9.5409 9.5409 9.5650 9.5650 10.0419 10.0419 10.0441 10.0441 10.9395 10.9395 10.9511 10.9511 k = 0.5000 0.2975-0.0000 ( 5624 PWs) bands (ev): 0.4631 0.4631 0.4645 0.4645 0.9452 0.9452 0.9530 0.9530 5.3793 5.3793 5.3804 5.3804 5.6912 5.6912 5.6997 5.6997 7.1398 7.1398 7.1524 7.1524 7.7098 7.7098 7.7164 7.7164 9.2084 9.2084 9.2231 9.2231 9.5965 9.5965 9.6248 9.6248 9.9548 9.9548 9.9572 9.9572 10.8553 10.8553 10.8658 10.8658 k = 0.5000 0.3094-0.0000 ( 5628 PWs) bands (ev): 0.4669 0.4669 0.4681 0.4681 0.9478 0.9478 0.9541 0.9541 5.3846 5.3846 5.3853 5.3853 5.6617 5.6617 5.6689 5.6689 7.1491 7.1491 7.1592 7.1592 7.7259 7.7259 7.7311 7.7311 9.2619 9.2619 9.2778 9.2778 9.6437 9.6437 9.6810 9.6810 9.8684 9.8684 9.8803 9.8803 10.7789 10.7789 10.7880 10.7880 k = 0.5000 0.3213-0.0000 ( 5620 PWs) bands (ev): 0.4701 0.4701 0.4710 0.4710 0.9499 0.9499 0.9547 0.9547 5.3910 5.3910 5.3913 5.3913 5.6366 5.6366 5.6423 5.6423 7.1565 7.1565 7.1640 7.1640 7.7389 7.7389 7.7427 7.7427 9.3191 9.3191 9.3362 9.3362 9.6690 9.6690 9.7283 9.7283 9.7882 9.7882 9.8227 9.8227 10.7130 10.7130 10.7203 10.7203 k = 0.5000 0.3332-0.0000 ( 5624 PWs) bands (ev): 0.4724 0.4724 0.4730 0.4730 0.9517 0.9517 0.9549 0.9549 5.3973 5.3973 5.3973 5.3973 5.6172 5.6172 5.6212 5.6212 7.1620 7.1620 7.1670 7.1670 7.7484 7.7484 7.7509 7.7509 9.3792 9.3792 9.3977 9.3977 9.6476 9.6476 9.6985 9.6985 9.7796 9.7796 9.8066 9.8066 10.6614 10.6614 10.6666 10.6666 k = 0.5000 0.3451-0.0000 ( 5624 PWs) bands (ev): 0.4738 0.4738 0.4742 0.4742 0.9531 0.9531 0.9547 0.9547 5.4020 5.4020 5.4020 5.4020 5.6050 5.6050 5.6071 5.6071 7.1658 7.1658 7.1683 7.1683 7.7544 7.7544 7.7557 7.7557 9.4402 9.4402 9.4589 9.4589 9.5955 9.5955 9.6259 9.6259 9.8061 9.8061 9.8150 9.8150 10.6284 10.6284 10.6311 10.6311 k = 0.5000 0.3570-0.0000 ( 5636 PWs) bands (ev): 0.4744 0.4744 0.4744 0.4744 0.9541 0.9541 0.9541 0.9541 5.4038 5.4038 5.4038 5.4038 5.6014 5.6014 5.6014 5.6014 7.1679 7.1679 7.1679 7.1679 7.7569 7.7569 7.7569 7.7569 9.4878 9.4878 9.4878 9.4878 9.5708 9.5708 9.5708 9.5708 9.8181 9.8181 9.8181 9.8181 10.6178 10.6178 10.6178 10.6178 k = 0.5000 0.3570-0.0000 ( 5636 PWs) bands (ev): 0.4744 0.4744 0.4744 0.4744 0.9541 0.9541 0.9541 0.9541 5.4038 5.4038 5.4038 5.4038 5.6014 5.6014 5.6014 5.6014 7.1679 7.1679 7.1679 7.1679 7.7569 7.7569 7.7569 7.7569 9.4878 9.4878 9.4878 9.4878 9.5708 9.5708 9.5708 9.5708 9.8180 9.8181 9.8181 9.8181 10.6178 10.6178 10.6178 10.6178 k = 0.4881 0.3570-0.0000 ( 5632 PWs) bands (ev): 0.4537 0.4537 0.4577 0.4577 0.9724 0.9724 0.9769 0.9769 5.3935 5.3935 5.3961 5.3961 5.6089 5.6089 5.6103 5.6103 7.1636 7.1636 7.1688 7.1688 7.7562 7.7562 7.7611 7.7611 9.4566 9.4566 9.4682 9.4682 9.5900 9.5900 9.5990 9.5990 9.8177 9.8177 9.8215 9.8215 10.6204 10.6204 10.6226 10.6226 k = 0.4762 0.3570-0.0000 ( 5624 PWs) bands (ev): 0.4034 0.4034 0.4100 0.4100 1.0251 1.0251 1.0327 1.0327 5.3692 5.3692 5.3737 5.3737 5.6295 5.6295 5.6317 5.6317 7.1563 7.1563 7.1664 7.1664 7.7591 7.7591 7.7688 7.7688 9.4080 9.4080 9.4223 9.4223 9.6323 9.6323 9.6410 9.6410 9.8204 9.8204 9.8283 9.8283 10.6306 10.6306 10.6348 10.6348 k = 0.4643 0.3570-0.0000 ( 5628 PWs) bands (ev): 0.3364 0.3364 0.3444 0.3444 1.0993 1.0993 1.1086 1.1086 5.3365 5.3365 5.3424 5.3424 5.6572 5.6572 5.6598 5.6598 7.1462 7.1462 7.1608 7.1608 7.7656 7.7656 7.7796 7.7796 9.3554 9.3554 9.3706 9.3706 9.6771 9.6771 9.6830 9.6830 9.8261 9.8261 9.8388 9.8388 10.6483 10.6483 10.6544 10.6544 k = 0.4524 0.3570-0.0000 ( 5628 PWs) bands (ev): 0.2613 0.2613 0.2698 0.2698 1.1859 1.1859 1.1963 1.1963 5.2993 5.2993 5.3063 5.3063 5.6881 5.6881 5.6908 5.6908 7.1339 7.1339 7.1522 7.1522 7.7755 7.7755 7.7932 7.7932 9.3014 9.3014 9.3169 9.3169 9.7206 9.7206 9.7221 9.7221 9.8350 9.8350 9.8532 9.8532 10.6734 10.6734 10.6812 10.6812 k = 0.4405 0.3570-0.0000 ( 5622 PWs) bands (ev): 0.1823 0.1823 0.1911 0.1911 1.2800 1.2800 1.2912 1.2912 5.2595 5.2595 5.2676 5.2676 5.7197 5.7197 5.7226 5.7226 7.1198 7.1198 7.1413 7.1413 7.7884 7.7884 7.8094 7.8094 9.2468 9.2468 9.2624 9.2624 9.7574 9.7574 9.7614 9.7614 9.8476 9.8476 9.8718 9.8718 10.7058 10.7058 10.7149 10.7149 k = 0.4286 0.3570-0.0000 ( 5622 PWs) bands (ev): 0.1021 0.1021 0.1109 0.1109 1.3791 1.3791 1.3907 1.3907 5.2184 5.2184 5.2275 5.2275 5.7507 5.7507 5.7539 5.7539 7.1047 7.1047 7.1286 7.1286 7.8042 7.8042 7.8277 7.8277 9.1921 9.1921 9.2078 9.2078 9.7888 9.7888 9.7982 9.7982 9.8646 9.8646 9.8945 9.8945 10.7452 10.7452 10.7553 10.7553 k = 0.4167 0.3570-0.0000 ( 5622 PWs) bands (ev): 0.0217 0.0217 0.0305 0.0305 1.4816 1.4816 1.4937 1.4937 5.1765 5.1765 5.1866 5.1866 5.7804 5.7804 5.7840 5.7840 7.0892 7.0892 7.1147 7.1147 7.8224 7.8224 7.8479 7.8479 9.1376 9.1376 9.1533 9.1533 9.8170 9.8170 9.8296 9.8296 9.8876 9.8876 9.9206 9.9206 10.7912 10.7912 10.8019 10.8019 k = 0.4048 0.3570-0.0000 ( 5622 PWs) bands (ev): -0.0580 -0.0580 -0.0493 -0.0493 1.5868 1.5868 1.5993 1.5993 5.1344 5.1344 5.1454 5.1454 5.8079 5.8079 5.8122 5.8122 7.0739 7.0739 7.1003 7.1003 7.8426 7.8426 7.8697 7.8697 9.0837 9.0837 9.0993 9.0993 9.8430 9.8430 9.8557 9.8557 9.9164 9.9164 9.9492 9.9492 10.8433 10.8433 10.8543 10.8543 k = 0.3929 0.3570-0.0000 ( 5618 PWs) bands (ev): -0.1366 -0.1366 -0.1281 -0.1281 1.6940 1.6940 1.7068 1.7068 5.0924 5.0924 5.1044 5.1044 5.8328 5.8328 5.8380 5.8380 7.0595 7.0595 7.0863 7.0863 7.8647 7.8647 7.8928 7.8928 9.0306 9.0306 9.0460 9.0460 9.8680 9.8680 9.8786 9.8786 9.9492 9.9492 9.9793 9.9793 10.9007 10.9007 10.9119 10.9119 k = 0.3810 0.3570-0.0000 ( 5614 PWs) bands (ev): -0.2138 -0.2138 -0.2054 -0.2054 1.8028 1.8028 1.8159 1.8159 5.0509 5.0509 5.0638 5.0638 5.8545 5.8545 5.8608 5.8608 7.0469 7.0469 7.0732 7.0732 7.8881 7.8881 7.9169 7.9169 8.9784 8.9784 8.9938 8.9938 9.8928 9.8928 9.9002 9.9002 9.9843 9.9843 10.0106 10.0106 10.9629 10.9629 10.9739 10.9739 k = 0.3690 0.3570-0.0000 ( 5622 PWs) bands (ev): -0.2893 -0.2893 -0.2812 -0.2812 1.9128 1.9128 1.9262 1.9262 5.0101 5.0101 5.0239 5.0239 5.8726 5.8726 5.8802 5.8802 7.0365 7.0365 7.0620 7.0620 7.9127 7.9127 7.9416 7.9416 8.9276 8.9276 8.9428 8.9428 9.9176 9.9176 9.9217 9.9217 10.0208 10.0208 10.0429 10.0429 11.0290 11.0290 11.0398 11.0398 k = 0.3571 0.3570-0.0000 ( 5622 PWs) bands (ev): -0.3630 -0.3630 -0.3551 -0.3551 2.0236 2.0236 2.0373 2.0373 4.9704 4.9704 4.9850 4.9850 5.8866 5.8866 5.8957 5.8957 7.0292 7.0292 7.0532 7.0532 7.9379 7.9379 7.9668 7.9668 8.8783 8.8783 8.8933 8.8933 9.9427 9.9427 9.9434 9.9434 10.0586 10.0586 10.0766 10.0766 11.0985 11.0985 11.1089 11.1089 k = 0.3452 0.3570-0.0000 ( 5630 PWs) bands (ev): -0.4349 -0.4349 -0.4271 -0.4271 2.1349 2.1349 2.1489 2.1489 4.9322 4.9322 4.9475 4.9475 5.8961 5.8961 5.9069 5.9069 7.0253 7.0253 7.0475 7.0475 7.9633 7.9633 7.9919 7.9919 8.8310 8.8310 8.8457 8.8457 9.9652 9.9652 9.9678 9.9678 10.0979 10.0979 10.1118 10.1118 11.1704 11.1704 11.1804 11.1804 k = 0.3333 0.3570-0.0000 ( 5630 PWs) bands (ev): -0.5047 -0.5047 -0.4972 -0.4972 2.2464 2.2464 2.2606 2.2606 4.8957 4.8957 4.9118 4.9118 5.9010 5.9010 5.9136 5.9136 7.0254 7.0254 7.0454 7.0454 7.9885 7.9885 8.0165 8.0165 8.7860 8.7860 8.8005 8.8005 9.9871 9.9871 9.9930 9.9930 10.1389 10.1389 10.1487 10.1487 11.2440 11.2440 11.2536 11.2536 k = 0.3214 0.3570-0.0000 ( 5626 PWs) bands (ev): -0.5724 -0.5724 -0.5651 -0.5651 2.3575 2.3575 2.3720 2.3720 4.8613 4.8613 4.8782 4.8782 5.9012 5.9012 5.9156 5.9156 7.0297 7.0297 7.0473 7.0473 8.0129 8.0129 8.0400 8.0400 8.7439 8.7439 8.7581 8.7581 10.0088 10.0088 10.0178 10.0178 10.1818 10.1818 10.1878 10.1878 11.3186 11.3186 11.3277 11.3277 k = 0.3095 0.3570-0.0000 ( 5626 PWs) bands (ev): -0.6380 -0.6380 -0.6310 -0.6310 2.4679 2.4679 2.4826 2.4826 4.8297 4.8297 4.8472 4.8472 5.8966 5.8966 5.9129 5.9129 7.0384 7.0384 7.0535 7.0535 8.0357 8.0357 8.0617 8.0617 8.7053 8.7053 8.7191 8.7191 10.0301 10.0301 10.0422 10.0422 10.2267 10.2267 10.2290 10.2290 11.3929 11.3929 11.4018 11.4018 k = 0.2976 0.3570-0.0000 ( 5620 PWs) bands (ev): -0.7014 -0.7014 -0.6946 -0.6946 2.5770 2.5770 2.5919 2.5919 4.8013 4.8013 4.8193 4.8193 5.8876 5.8876 5.9055 5.9055 7.0513 7.0513 7.0639 7.0639 8.0562 8.0562 8.0807 8.0807 8.6711 8.6711 8.6843 8.6843 10.0509 10.0509 10.0659 10.0659 10.2723 10.2723 10.2738 10.2738 11.4645 11.4645 11.4737 11.4737 k = 0.2857 0.3570-0.0000 ( 5620 PWs) bands (ev): -0.7626 -0.7626 -0.7561 -0.7561 2.6842 2.6842 2.6992 2.6992 4.7767 4.7767 4.7952 4.7952 5.8745 5.8745 5.8939 5.8939 7.0682 7.0682 7.0784 7.0784 8.0732 8.0732 8.0960 8.0960 8.6421 8.6421 8.6546 8.6546 10.0707 10.0707 10.0886 10.0886 10.3178 10.3178 10.3228 10.3228 11.5149 11.5149 11.5233 11.5233 k = 0.2738 0.3570-0.0000 ( 5628 PWs) bands (ev): -0.8215 -0.8215 -0.8152 -0.8152 2.7887 2.7887 2.8038 2.8038 4.7566 4.7566 4.7755 4.7755 5.8578 5.8578 5.8784 5.8784 7.0888 7.0888 7.0968 7.0968 8.0858 8.0858 8.1064 8.1064 8.6194 8.6194 8.6308 8.6308 10.0894 10.0894 10.1101 10.1101 10.3651 10.3651 10.3739 10.3739 11.4724 11.4724 11.4769 11.4769 k = 0.2619 0.3570-0.0000 ( 5630 PWs) bands (ev): -0.8781 -0.8781 -0.8721 -0.8721 2.8897 2.8897 2.9048 2.9048 4.7420 4.7420 4.7612 4.7612 5.8379 5.8379 5.8596 5.8596 7.1127 7.1127 7.1186 7.1186 8.0930 8.0930 8.1112 8.1112 8.6036 8.6036 8.6139 8.6139 10.1067 10.1067 10.1301 10.1301 10.4139 10.4139 10.4266 10.4266 11.4084 11.4084 11.4174 11.4174 k = 0.2500 0.3570-0.0000 ( 5630 PWs) bands (ev): -0.9324 -0.9324 -0.9266 -0.9266 2.9862 2.9862 3.0011 3.0011 4.7338 4.7338 4.7530 4.7530 5.8155 5.8155 5.8378 5.8378 7.1392 7.1392 7.1433 7.1433 8.0941 8.0941 8.1097 8.1097 8.5952 8.5952 8.6042 8.6042 10.1221 10.1221 10.1484 10.1484 10.4635 10.4635 10.4806 10.4806 11.3474 11.3474 11.3605 11.3605 k = 0.2381 0.3570-0.0000 ( 5622 PWs) bands (ev): -0.9843 -0.9843 -0.9788 -0.9788 3.0771 3.0771 3.0918 3.0918 4.7329 4.7329 4.7521 4.7521 5.7910 5.7910 5.8138 5.8138 7.1681 7.1681 7.1705 7.1705 8.0892 8.0892 8.1022 8.1022 8.5937 8.5937 8.6017 8.6017 10.1355 10.1355 10.1646 10.1646 10.5132 10.5132 10.5352 10.5352 11.2914 11.2914 11.3090 11.3090 k = 0.2262 0.3570-0.0000 ( 5618 PWs) bands (ev): -1.0338 -1.0338 -1.0286 -1.0286 3.1613 3.1613 3.1755 3.1755 4.7405 4.7405 4.7594 4.7594 5.7650 5.7650 5.7881 5.7881 7.1985 7.1985 7.1995 7.1995 8.0786 8.0786 8.0891 8.0891 8.5984 8.5984 8.6054 8.6054 10.1466 10.1466 10.1785 10.1785 10.5616 10.5616 10.5893 10.5893 11.2414 11.2414 11.2647 11.2647 k = 0.2143 0.3570-0.0000 ( 5618 PWs) bands (ev): -1.0809 -1.0809 -1.0759 -1.0759 3.2377 3.2377 3.2513 3.2513 4.7576 4.7576 4.7758 4.7758 5.7380 5.7380 5.7611 5.7611 7.2297 7.2297 7.2302 7.2302 8.0633 8.0633 8.0718 8.0718 8.6077 8.6077 8.6143 8.6143 10.1553 10.1553 10.1898 10.1898 10.6068 10.6068 10.6411 10.6411 11.1994 11.1994 11.2293 11.2293 k = 0.2024 0.3570-0.0000 ( 5614 PWs) bands (ev): -1.1256 -1.1256 -1.1209 -1.1209 3.3054 3.3054 3.3181 3.3181 4.7848 4.7848 4.8022 4.8022 5.7105 5.7105 5.7333 5.7333 7.2607 7.2607 7.2622 7.2622 8.0446 8.0446 8.0513 8.0513 8.6203 8.6203 8.6268 8.6268 10.1614 10.1614 10.1986 10.1986 10.6463 10.6463 10.6877 10.6877 11.1680 11.1680 11.2053 11.2053 k = 0.1905 0.3570-0.0000 ( 5614 PWs) bands (ev): -1.1678 -1.1678 -1.1633 -1.1633 3.3638 3.3638 3.3755 3.3755 4.8226 4.8226 4.8390 4.8390 5.6829 5.6829 5.7053 5.7053 7.2918 7.2918 7.2942 7.2942 8.0235 8.0235 8.0287 8.0287 8.6347 8.6347 8.6415 8.6415 10.1652 10.1652 10.2047 10.2047 10.6770 10.6770 10.7248 10.7248 11.1511 11.1511 11.1953 11.1953 k = 0.1786 0.3570-0.0000 ( 5610 PWs) bands (ev): -1.2075 -1.2075 -1.2033 -1.2033 3.4127 3.4127 3.4231 3.4231 4.8708 4.8708 4.8860 4.8860 5.6555 5.6555 5.6774 5.6774 7.3225 7.3225 7.3256 7.3256 8.0011 8.0011 8.0052 8.0052 8.6497 8.6497 8.6569 8.6569 10.1668 10.1668 10.2084 10.2084 10.6961 10.6961 10.7473 10.7473 11.1531 11.1531 11.2015 11.2015 k = 0.1667 0.3570-0.0000 ( 5602 PWs) bands (ev): -1.2447 -1.2447 -1.2408 -1.2408 3.4524 3.4524 3.4614 3.4614 4.9288 4.9288 4.9426 4.9426 5.6288 5.6288 5.6500 5.6500 7.3520 7.3520 7.3557 7.3557 7.9780 7.9780 7.9812 7.9812 8.6642 8.6642 8.6721 8.6721 10.1668 10.1668 10.2100 10.2100 10.7023 10.7023 10.7527 10.7527 11.1761 11.1761 11.2241 11.2241 k = 0.1548 0.3570-0.0000 ( 5592 PWs) bands (ev): -1.2795 -1.2795 -1.2759 -1.2759 3.4835 3.4835 3.4912 3.4912 4.9953 4.9953 5.0078 5.0078 5.6030 5.6030 5.6234 5.6234 7.3799 7.3799 7.3841 7.3841 7.9550 7.9550 7.9576 7.9576 8.6774 8.6774 8.6861 8.6861 10.1657 10.1657 10.2102 10.2102 10.6967 10.6967 10.7425 10.7425 11.2175 11.2175 11.2605 11.2605 k = 0.1429 0.3570-0.0000 ( 5588 PWs) bands (ev): -1.3117 -1.3117 -1.3083 -1.3083 3.5070 3.5070 3.5134 3.5134 5.0688 5.0688 5.0800 5.0800 5.5785 5.5785 5.5981 5.5981 7.4056 7.4056 7.4101 7.4101 7.9326 7.9326 7.9346 7.9346 8.6887 8.6887 8.6982 8.6982 10.1643 10.1643 10.2094 10.2094 10.6817 10.6817 10.7213 10.7213 11.2716 11.2716 11.3034 11.3034 k = 0.1310 0.3570-0.0000 ( 5596 PWs) bands (ev): -1.3414 -1.3414 -1.3383 -1.3383 3.5241 3.5241 3.5294 3.5294 5.1472 5.1472 5.1574 5.1574 5.5557 5.5557 5.5744 5.5744 7.4284 7.4284 7.4331 7.4331 7.9111 7.9111 7.9128 7.9128 8.6978 8.6978 8.7078 8.7078 10.1633 10.1633 10.2085 10.2085 10.6602 10.6602 10.6932 10.6932 11.3275 11.3275 11.3299 11.3299 k = 0.1190 0.3570-0.0000 ( 5604 PWs) bands (ev): -1.3685 -1.3685 -1.3657 -1.3657 3.5360 3.5360 3.5402 3.5402 5.2283 5.2283 5.2377 5.2377 5.5350 5.5350 5.5530 5.5530 7.4478 7.4478 7.4526 7.4526 7.8909 7.8909 7.8922 7.8922 8.7044 8.7044 8.7148 8.7148 10.1633 10.1633 10.2079 10.2079 10.6343 10.6343 10.6614 10.6614 11.3071 11.3071 11.3490 11.3491 k = 0.1071 0.3570-0.0000 ( 5594 PWs) bands (ev): -1.3930 -1.3930 -1.3905 -1.3905 3.5438 3.5438 3.5471 3.5471 5.3091 5.3091 5.3180 5.3180 5.5176 5.5176 5.5350 5.5350 7.4635 7.4635 7.4682 7.4682 7.8723 7.8723 7.8733 7.8733 8.7086 8.7086 8.7192 8.7192 10.1650 10.1650 10.2082 10.2082 10.6062 10.6062 10.6279 10.6279 11.2728 11.2728 11.3172 11.3172 k = 0.0952 0.3570-0.0000 ( 5590 PWs) bands (ev): -1.4150 -1.4150 -1.4128 -1.4128 3.5485 3.5485 3.5511 3.5511 5.3838 5.3838 5.3925 5.3925 5.5077 5.5077 5.5244 5.5244 7.4750 7.4750 7.4796 7.4796 7.8554 7.8554 7.8562 7.8562 8.7106 8.7106 8.7210 8.7210 10.1685 10.1685 10.2095 10.2095 10.5773 10.5773 10.5943 10.5943 11.2363 11.2363 11.2789 11.2789 k = 0.0833 0.3570-0.0000 ( 5582 PWs) bands (ev): -1.4344 -1.4344 -1.4325 -1.4325 3.5510 3.5510 3.5529 3.5529 5.4356 5.4356 5.4396 5.4396 5.5248 5.5248 5.5363 5.5363 7.4823 7.4823 7.4866 7.4866 7.8403 7.8403 7.8411 7.8411 8.7109 8.7109 8.7208 8.7208 10.1739 10.1739 10.2120 10.2120 10.5490 10.5490 10.5620 10.5620 11.1998 11.1998 11.2395 11.2395 k = 0.0714 0.3570-0.0000 ( 5578 PWs) bands (ev): -1.4513 -1.4513 -1.4496 -1.4496 3.5518 3.5518 3.5533 3.5533 5.4445 5.4445 5.4474 5.4474 5.5817 5.5817 5.5857 5.5857 7.4856 7.4856 7.4896 7.4896 7.8273 7.8273 7.8279 7.8279 8.7099 8.7099 8.7189 8.7189 10.1810 10.1810 10.2153 10.2153 10.5227 10.5227 10.5322 10.5322 11.1645 11.1645 11.2005 11.2005 k = 0.0595 0.3570-0.0000 ( 5570 PWs) bands (ev): -1.4655 -1.4655 -1.4641 -1.4641 3.5517 3.5517 3.5528 3.5528 5.4376 5.4376 5.4422 5.4422 5.6463 5.6463 5.6476 5.6476 7.4856 7.4856 7.4890 7.4890 7.8164 7.8164 7.8168 7.8168 8.7082 8.7082 8.7161 8.7161 10.1893 10.1893 10.2191 10.2191 10.4992 10.4992 10.5057 10.5057 11.1316 11.1316 11.1631 11.1631 k = 0.0476 0.3570-0.0000 ( 5562 PWs) bands (ev): -1.4771 -1.4771 -1.4760 -1.4760 3.5510 3.5510 3.5518 3.5518 5.4297 5.4297 5.4341 5.4341 5.7054 5.7054 5.7059 5.7059 7.4830 7.4830 7.4859 7.4859 7.8075 7.8075 7.8078 7.8078 8.7063 8.7063 8.7129 8.7129 10.1981 10.1981 10.2226 10.2226 10.4795 10.4795 10.4835 10.4835 11.1025 11.1025 11.1289 11.1289 k = 0.0357 0.3570-0.0000 ( 5560 PWs) bands (ev): -1.4861 -1.4861 -1.4852 -1.4852 3.5502 3.5502 3.5507 3.5507 5.4231 5.4231 5.4267 5.4267 5.7548 5.7548 5.7550 5.7550 7.4791 7.4791 7.4814 7.4814 7.8006 7.8006 7.8009 7.8009 8.7045 8.7045 8.7096 8.7096 10.2066 10.2066 10.2252 10.2252 10.4639 10.4639 10.4661 10.4661 11.0788 11.0788 11.0994 11.0994 k = 0.0238 0.3570-0.0000 ( 5566 PWs) bands (ev): -1.4925 -1.4925 -1.4919 -1.4919 3.5494 3.5494 3.5498 3.5498 5.4183 5.4183 5.4208 5.4208 5.7919 5.7919 5.7920 5.7920 7.4752 7.4752 7.4767 7.4767 7.7957 7.7957 7.7959 7.7959 8.7033 8.7033 8.7068 8.7068 10.2140 10.2140 10.2266 10.2266 10.4528 10.4528 10.4537 10.4537 11.0618 11.0618 11.0759 11.0759 k = 0.0119 0.3570-0.0000 ( 5550 PWs) bands (ev): -1.4963 -1.4963 -1.4960 -1.4960 3.5489 3.5489 3.5492 3.5492 5.4156 5.4156 5.4169 5.4169 5.8150 5.8150 5.8151 5.8151 7.4724 7.4724 7.4732 7.4732 7.7928 7.7928 7.7930 7.7930 8.7029 8.7029 8.7046 8.7046 10.2199 10.2199 10.2262 10.2262 10.4461 10.4461 10.4465 10.4465 11.0525 11.0525 11.0597 11.0597 k = 0.0000 0.3570-0.0000 ( 5550 PWs) bands (ev): -1.4976 -1.4976 -1.4973 -1.4973 3.5487 3.5487 3.5490 3.5490 5.4152 5.4152 5.4152 5.4152 5.8228 5.8228 5.8229 5.8229 7.4715 7.4715 7.4718 7.4718 7.7919 7.7919 7.7920 7.7920 8.7032 8.7032 8.7034 8.7034 10.2240 10.2240 10.2241 10.2241 10.4438 10.4438 10.4441 10.4441 11.0517 11.0517 11.0520 11.0520 k = 0.0000 0.3570-0.0000 ( 5550 PWs) bands (ev): -1.4976 -1.4976 -1.4973 -1.4973 3.5487 3.5487 3.5490 3.5490 5.4152 5.4152 5.4152 5.4152 5.8228 5.8228 5.8229 5.8229 7.4715 7.4715 7.4718 7.4718 7.7919 7.7919 7.7920 7.7920 8.7032 8.7032 8.7034 8.7034 10.2240 10.2240 10.2241 10.2241 10.4438 10.4438 10.4441 10.4441 11.0517 11.0517 11.0520 11.0520 k = 0.0000 0.3451-0.0000 ( 5560 PWs) bands (ev): -1.5291 -1.5291 -1.4664 -1.4664 3.5432 3.5432 3.5569 3.5569 5.3638 5.3638 5.4653 5.4653 5.7959 5.7959 5.8510 5.8510 7.4150 7.4150 7.5266 7.5266 7.7858 7.7858 7.7999 7.7999 8.6589 8.6589 8.7500 8.7500 10.1662 10.1662 10.2752 10.2752 10.4235 10.4235 10.4684 10.4684 11.0094 11.0094 11.0926 11.0926 k = 0.0000 0.3332-0.0000 ( 5564 PWs) bands (ev): -1.5611 -1.5611 -1.4361 -1.4361 3.5399 3.5399 3.5676 3.5676 5.3116 5.3116 5.5138 5.5138 5.7702 5.7702 5.8804 5.8804 7.3581 7.3581 7.5772 7.5772 7.7807 7.7807 7.8115 7.8115 8.6171 8.6171 8.7986 8.7986 10.1047 10.1047 10.3153 10.3153 10.4043 10.4043 10.5008 10.5008 10.9663 10.9663 11.1295 11.1295 k = 0.0000 0.3213-0.0000 ( 5570 PWs) bands (ev): -1.5936 -1.5936 -1.4066 -1.4066 3.5390 3.5390 3.5807 3.5807 5.2588 5.2588 5.5607 5.5607 5.7458 5.7458 5.9107 5.9107 7.3019 7.3019 7.6190 7.6190 7.7761 7.7761 7.8306 7.8306 8.5781 8.5781 8.8490 8.8490 10.0413 10.0413 10.3410 10.3410 10.3851 10.3851 10.5441 10.5441 10.9235 10.9235 11.1583 11.1583 k = 0.0000 0.3094-0.0000 ( 5576 PWs) bands (ev): -1.6262 -1.6262 -1.3779 -1.3779 3.5403 3.5403 3.5964 3.5964 5.2057 5.2057 5.6057 5.6057 5.7226 5.7226 5.9422 5.9422 7.2467 7.2467 7.6468 7.6468 7.7720 7.7720 7.8614 7.8614 8.5422 8.5422 8.9008 8.9008 9.9772 9.9772 10.3503 10.3503 10.3686 10.3686 10.5970 10.5970 10.8812 10.8812 11.1700 11.1700 k = 0.0000 0.2975-0.0000 ( 5576 PWs) bands (ev): -1.6590 -1.6590 -1.3502 -1.3502 3.5435 3.5435 3.6146 3.6146 5.1528 5.1528 5.6486 5.6486 5.7009 5.7009 5.9745 5.9745 7.1930 7.1930 7.6580 7.6580 7.7681 7.7681 7.9057 7.9057 8.5096 8.5096 8.9538 8.9538 9.9127 9.9127 10.3362 10.3362 10.3649 10.3649 10.6562 10.6562 10.8400 10.8400 11.1540 11.1540 k = 0.0000 0.2856-0.0000 ( 5588 PWs) bands (ev): -1.6918 -1.6918 -1.3235 -1.3235 3.5486 3.5486 3.6352 3.6352 5.1006 5.1006 5.6788 5.6788 5.6912 5.6912 6.0077 6.0077 7.1410 7.1410 7.6546 7.6546 7.7642 7.7642 7.9606 7.9606 8.4807 8.4807 9.0078 9.0078 9.8484 9.8484 10.3135 10.3135 10.3620 10.3620 10.7188 10.7188 10.8000 10.8000 11.1146 11.1146 k = 0.0000 0.2737-0.0000 ( 5594 PWs) bands (ev): -1.7244 -1.7244 -1.2979 -1.2979 3.5553 3.5553 3.6580 3.6580 5.0493 5.0493 5.6606 5.6606 5.7293 5.7293 6.0417 6.0417 7.0908 7.0908 7.6396 7.6396 7.7601 7.7601 8.0224 8.0224 8.4555 8.4555 9.0624 9.0624 9.7844 9.7844 10.2888 10.2888 10.3553 10.3553 10.7606 10.7606 10.7840 10.7840 11.0673 11.0673 k = 0.0000 0.2618-0.0000 ( 5598 PWs) bands (ev): -1.7568 -1.7568 -1.2735 -1.2735 3.5635 3.5635 3.6828 3.6828 4.9995 4.9995 5.6428 5.6428 5.7665 5.7665 6.0763 6.0763 7.0426 7.0426 7.6150 7.6150 7.7558 7.7558 8.0887 8.0887 8.4340 8.4340 9.1174 9.1174 9.7212 9.7212 10.2631 10.2631 10.3454 10.3454 10.7243 10.7243 10.8480 10.8480 11.0219 11.0219 k = 0.0000 0.2499-0.0000 ( 5590 PWs) bands (ev): -1.7887 -1.7887 -1.2501 -1.2501 3.5728 3.5728 3.7095 3.7095 4.9516 4.9516 5.6262 5.6262 5.8022 5.8022 6.1115 6.1115 6.9964 6.9964 7.5816 7.5816 7.7508 7.7508 8.1579 8.1579 8.4163 8.4163 9.1724 9.1724 9.6588 9.6588 10.2367 10.2367 10.3327 10.3327 10.6894 10.6894 10.9117 10.9117 10.9826 10.9826 k = 0.0000 0.2380-0.0000 ( 5586 PWs) bands (ev): -1.8201 -1.8201 -1.2280 -1.2280 3.5831 3.5831 3.7376 3.7376 4.9062 4.9062 5.6108 5.6108 5.8364 5.8364 6.1470 6.1470 6.9524 6.9524 7.5403 7.5403 7.7453 7.7453 8.2292 8.2292 8.4020 8.4020 9.2272 9.2272 9.5976 9.5976 10.2101 10.2101 10.3180 10.3180 10.6566 10.6566 10.9466 10.9466 10.9772 10.9772 k = 0.0000 0.2261-0.0000 ( 5590 PWs) bands (ev): -1.8509 -1.8509 -1.2071 -1.2071 3.5941 3.5941 3.7669 3.7669 4.8637 4.8637 5.5967 5.5967 5.8695 5.8695 6.1828 6.1828 6.9104 6.9104 7.4915 7.4915 7.7391 7.7391 8.3019 8.3019 8.3910 8.3910 9.2812 9.2812 9.5381 9.5381 10.1834 10.1834 10.3015 10.3015 10.6261 10.6261 10.9212 10.9212 11.0361 11.0361 k = 0.0000 0.2142-0.0000 ( 5594 PWs) bands (ev): -1.8808 -1.8808 -1.1875 -1.1875 3.6056 3.6056 3.7969 3.7969 4.8249 4.8249 5.5837 5.5837 5.9016 5.9016 6.2187 6.2187 6.8706 6.8706 7.4358 7.4358 7.7323 7.7323 8.3709 8.3709 8.3874 8.3874 9.3333 9.3333 9.4812 9.4812 10.1571 10.1571 10.2837 10.2837 10.5981 10.5981 10.8997 10.8997 11.0929 11.0929 k = 0.0000 0.2023-0.0000 ( 5592 PWs) bands (ev): -1.9099 -1.9099 -1.1690 -1.1690 3.6174 3.6174 3.8269 3.8269 4.7903 4.7903 5.5719 5.5719 5.9330 5.9330 6.2544 6.2544 6.8330 6.8330 7.3738 7.3738 7.7253 7.7253 8.3730 8.3730 8.4535 8.4535 9.3753 9.3753 9.4351 9.4351 10.1314 10.1314 10.2649 10.2649 10.5729 10.5729 10.8814 10.8814 11.1454 11.1454 k = 0.0000 0.1904-0.0000 ( 5596 PWs) bands (ev): -1.9380 -1.9380 -1.1518 -1.1518 3.6292 3.6292 3.8563 3.8563 4.7606 4.7606 5.5613 5.5613 5.9640 5.9640 6.2899 6.2899 6.7974 6.7974 7.3062 7.3062 7.7182 7.7182 8.3669 8.3669 8.5298 8.5298 9.3553 9.3553 9.4515 9.4515 10.1065 10.1065 10.2453 10.2453 10.5505 10.5505 10.8643 10.8643 11.1923 11.1923 k = 0.0000 0.1785-0.0000 ( 5597 PWs) bands (ev): -1.9649 -1.9649 -1.1358 -1.1358 3.6409 3.6409 3.8842 3.8842 4.7368 4.7368 5.5517 5.5517 5.9946 5.9946 6.3250 6.3250 6.7639 6.7639 7.2339 7.2339 7.7116 7.7116 8.3605 8.3605 8.6072 8.6072 9.3060 9.3060 9.4978 9.4978 10.0825 10.0825 10.2253 10.2253 10.5312 10.5312 10.8461 10.8461 11.2324 11.2324 k = 0.0000 0.1666-0.0000 ( 5595 PWs) bands (ev): -1.9906 -1.9906 -1.1210 -1.1210 3.6522 3.6522 3.9100 3.9100 4.7194 4.7194 5.5431 5.5431 6.0251 6.0251 6.3593 6.3593 6.7325 6.7325 7.1576 7.1576 7.7056 7.7056 8.3533 8.3533 8.6856 8.6856 9.2561 9.2561 9.5453 9.5453 10.0597 10.0597 10.2051 10.2051 10.5151 10.5151 10.8248 10.8248 11.2643 11.2643 k = 0.0000 0.1547-0.0000 ( 5593 PWs) bands (ev): -2.0149 -2.0149 -1.1074 -1.1074 3.6631 3.6631 3.9327 3.9327 4.7093 4.7093 5.5355 5.5355 6.0554 6.0554 6.3928 6.3928 6.7030 6.7030 7.0784 7.0784 7.7008 7.7008 8.3446 8.3446 8.7646 8.7646 9.2079 9.2079 9.5913 9.5913 10.0381 10.0381 10.1850 10.1850 10.5023 10.5023 10.7989 10.7989 11.2839 11.2840 k = 0.0000 0.1428-0.0000 ( 5593 PWs) bands (ev): -2.0379 -2.0379 -1.0949 -1.0949 3.6733 3.6733 3.9517 3.9517 4.7069 4.7069 5.5288 5.5288 6.0855 6.0855 6.4252 6.4252 6.6754 6.6754 6.9972 6.9972 7.6975 7.6975 8.3340 8.3340 8.8442 8.8442 9.1622 9.1622 9.6353 9.6353 10.0179 10.0179 10.1651 10.1651 10.4928 10.4928 10.7672 10.7672 11.2627 11.2627 k = 0.0000 0.1309-0.0000 ( 5607 PWs) bands (ev): -2.0593 -2.0593 -1.0836 -1.0836 3.6828 3.6828 3.9665 3.9665 4.7124 4.7124 5.5229 5.5229 6.1154 6.1154 6.4561 6.4561 6.6495 6.6495 6.9149 6.9149 7.6960 7.6960 8.3209 8.3209 8.9241 8.9241 9.1192 9.1192 9.6769 9.6769 9.9991 9.9991 10.1458 10.1458 10.4866 10.4866 10.7296 10.7296 11.2149 11.2149 k = 0.0000 0.1190-0.0000 ( 5595 PWs) bands (ev): -2.0791 -2.0791 -1.0733 -1.0733 3.6916 3.6916 3.9770 3.9770 4.7256 4.7256 5.5178 5.5178 6.1450 6.1450 6.4855 6.4855 6.6254 6.6254 6.8326 6.8326 7.6966 7.6966 8.3053 8.3053 9.0039 9.0039 9.0795 9.0795 9.7157 9.7157 9.9819 9.9819 10.1271 10.1271 10.4835 10.4835 10.6862 10.6862 11.1663 11.1663 k = 0.0000 0.1071-0.0000 ( 5595 PWs) bands (ev): -2.0973 -2.0973 -1.0642 -1.0642 3.6995 3.6995 3.9836 3.9836 4.7457 4.7457 5.5134 5.5134 6.1739 6.1739 6.5130 6.5130 6.6030 6.6030 6.7513 6.7513 7.6995 7.6995 8.2872 8.2872 9.0410 9.0410 9.0858 9.0858 9.7514 9.7514 9.9662 9.9662 10.1094 10.1094 10.4833 10.4833 10.6379 10.6379 11.1194 11.1194 k = 0.0000 0.0952-0.0000 ( 5601 PWs) bands (ev): -2.1137 -2.1137 -1.0561 -1.0561 3.7065 3.7065 3.9867 3.9867 4.7714 4.7714 5.5097 5.5097 6.2020 6.2020 6.5382 6.5382 6.5820 6.5820 6.6724 6.6724 7.7047 7.7047 8.2666 8.2666 9.0083 9.0083 9.1648 9.1648 9.7839 9.7839 9.9521 9.9521 10.0928 10.0928 10.4850 10.4850 10.5860 10.5860 11.0748 11.0748 k = 0.0000 0.0833-0.0000 ( 5609 PWs) bands (ev): -2.1284 -2.1284 -1.0490 -1.0490 3.7126 3.7126 3.9872 3.9872 4.8014 4.8014 5.5066 5.5066 6.2291 6.2291 6.5595 6.5595 6.5629 6.5629 6.5980 6.5980 7.7121 7.7121 8.2442 8.2442 8.9785 8.9785 9.2435 9.2435 9.8128 9.8128 9.9396 9.9396 10.0775 10.0775 10.4846 10.4846 10.5354 10.5354 11.0330 11.0330 k = 0.0000 0.0714-0.0000 ( 5603 PWs) bands (ev): -2.1412 -2.1412 -1.0429 -1.0429 3.7179 3.7179 3.9859 3.9859 4.8337 4.8337 5.5040 5.5040 6.2547 6.2547 6.5237 6.5237 6.5444 6.5444 6.5838 6.5838 7.7216 7.7216 8.2205 8.2205 8.9523 8.9523 9.3207 9.3207 9.8379 9.8379 9.9288 9.9288 10.0638 10.0638 10.4567 10.4567 10.5122 10.5122 10.9942 10.9942 k = 0.0000 0.0595-0.0000 ( 5603 PWs) bands (ev): -2.1521 -2.1521 -1.0378 -1.0378 3.7223 3.7223 3.9835 3.9835 4.8665 4.8665 5.5019 5.5019 6.2785 6.2785 6.4596 6.4596 6.5276 6.5276 6.6009 6.6009 7.7326 7.7326 8.1965 8.1965 8.9299 8.9299 9.3955 9.3955 9.8589 9.8589 9.9196 9.9196 10.0517 10.0517 10.4027 10.4027 10.5162 10.5162 10.9591 10.9591 k = 0.0000 0.0476-0.0000 ( 5597 PWs) bands (ev): -2.1611 -2.1611 -1.0337 -1.0337 3.7259 3.7259 3.9807 3.9807 4.8976 4.8976 5.5002 5.5002 6.3001 6.3001 6.4031 6.4031 6.5123 6.5123 6.6156 6.6156 7.7445 7.7445 8.1734 8.1734 8.9114 8.9114 9.4661 9.4661 9.8754 9.8754 9.9121 9.9121 10.0414 10.0414 10.3465 10.3465 10.5247 10.5247 10.9282 10.9282 k = 0.0000 0.0357-0.0000 ( 5595 PWs) bands (ev): -2.1681 -2.1681 -1.0305 -1.0305 3.7286 3.7286 3.9780 3.9780 4.9248 4.9248 5.4990 5.4990 6.3187 6.3187 6.3562 6.3562 6.4988 6.4988 6.6272 6.6272 7.7562 7.7562 8.1525 8.1525 8.8969 8.8969 9.5301 9.5301 9.8872 9.8872 9.9063 9.9063 10.0331 10.0331 10.2942 10.2942 10.5338 10.5338 10.9023 10.9023 k = 0.0000 0.0238-0.0000 ( 5601 PWs) bands (ev): -2.1731 -2.1731 -1.0282 -1.0282 3.7306 3.7306 3.9758 3.9758 4.9462 4.9462 5.4981 5.4981 6.3205 6.3205 6.3342 6.3342 6.4878 6.4878 6.6357 6.6357 7.7662 7.7662 8.1356 8.1356 8.8865 8.8865 9.5836 9.5836 9.8942 9.8942 9.9022 9.9022 10.0269 10.0269 10.2505 10.2505 10.5417 10.5417 10.8826 10.8826 k = 0.0000 0.0119-0.0000 ( 5607 PWs) bands (ev): -2.1762 -2.1762 -1.0268 -1.0268 3.7317 3.7317 3.9744 3.9744 4.9599 4.9599 5.4976 5.4976 6.2988 6.2988 6.3439 6.3439 6.4802 6.4802 6.6408 6.6408 7.7731 7.7731 8.1246 8.1246 8.8802 8.8802 9.6205 9.6205 9.8971 9.8971 9.8997 9.8997 10.0230 10.0230 10.2208 10.2208 10.5472 10.5472 10.8701 10.8701 k = 0.0000 0.0000 0.0000 ( 5603 PWs) bands (ev): -2.1772 -2.1772 -1.0264 -1.0264 3.7321 3.7321 3.9739 3.9739 4.9646 4.9646 5.4974 5.4974 6.2914 6.2914 6.3475 6.3475 6.4775 6.4775 6.6425 6.6425 7.7755 7.7755 8.1207 8.1207 8.8782 8.8782 9.6339 9.6339 9.8978 9.8978 9.8987 9.8987 10.0216 10.0216 10.2102 10.2102 10.5492 10.5492 10.8658 10.8658 k = 0.0000 0.0000 0.0000 ( 5603 PWs) bands (ev): -2.1772 -2.1772 -1.0264 -1.0264 3.7321 3.7321 3.9739 3.9739 4.9646 4.9646 5.4974 5.4974 6.2914 6.2914 6.3475 6.3475 6.4775 6.4775 6.6425 6.6425 7.7755 7.7755 8.1207 8.1207 8.8782 8.8782 9.6339 9.6339 9.8978 9.8978 9.8987 9.8987 10.0216 10.0216 10.2102 10.2102 10.5492 10.5492 10.8658 10.8658 k = 0.0000 0.0000 0.0118 ( 5599 PWs) bands (ev): -2.1761 -2.1761 -1.0281 -1.0281 3.7326 3.7326 3.9763 3.9763 4.9599 4.9599 5.4984 5.4984 6.2516 6.2516 6.3885 6.3885 6.4837 6.4837 6.6403 6.6403 7.7740 7.7740 8.1187 8.1187 8.8812 8.8812 9.6287 9.6287 9.8797 9.8797 9.9004 9.9004 10.0411 10.0411 10.1979 10.1979 10.5567 10.5567 10.8805 10.8805 k = 0.0000 0.0000 0.0236 ( 5595 PWs) bands (ev): -2.1727 -2.1727 -1.0331 -1.0331 3.7341 3.7341 3.9837 3.9837 4.9461 4.9461 5.5013 5.5013 6.1939 6.1939 6.4498 6.4498 6.5022 6.5022 6.6337 6.6337 7.7696 7.7696 8.1127 8.1127 8.8904 8.8904 9.6136 9.6136 9.8432 9.8432 9.9043 9.9043 10.0798 10.0798 10.1673 10.1673 10.5788 10.5788 10.9214 10.9214 k = 0.0000 0.0000 0.0354 ( 5603 PWs) bands (ev): -2.1672 -2.1672 -1.0415 -1.0415 3.7366 3.7366 3.9958 3.9958 4.9240 4.9240 5.5061 5.5061 6.1354 6.1354 6.5140 6.5140 6.5320 6.5320 6.6230 6.6230 7.7623 7.7623 8.1030 8.1030 8.9055 8.9055 9.5901 9.5901 9.8026 9.8026 9.9098 9.9098 10.0878 10.0878 10.1614 10.1614 10.6140 10.6140 10.9812 10.9812 k = 0.0000 0.0000 0.0471 ( 5599 PWs) bands (ev): -2.1595 -2.1595 -1.0532 -1.0532 3.7402 3.7402 4.0126 4.0126 4.8946 4.8946 5.5128 5.5128 6.0775 6.0775 6.5719 6.5719 6.5783 6.5783 6.6100 6.6100 7.7523 7.7523 8.0898 8.0898 8.9261 8.9261 9.5602 9.5602 9.7625 9.7625 9.9138 9.9138 10.0397 10.0397 10.2100 10.2100 10.6602 10.6602 11.0527 11.0527 k = 0.0000 0.0000 0.0589 ( 5589 PWs) bands (ev): -2.1496 -2.1496 -1.0680 -1.0680 3.7448 3.7448 4.0341 4.0341 4.8591 4.8591 5.5214 5.5214 6.0203 6.0203 6.5870 6.5870 6.6209 6.6209 6.6498 6.6498 7.7399 7.7399 8.0734 8.0734 8.9519 8.9519 9.5258 9.5258 9.7241 9.7241 9.9041 9.9041 9.9940 9.9940 10.2699 10.2699 10.7153 10.7153 11.1032 11.1032 k = 0.0000 0.0000 0.0707 ( 5591 PWs) bands (ev): -2.1375 -2.1375 -1.0858 -1.0858 3.7504 3.7504 4.0599 4.0599 4.8190 4.8190 5.5319 5.5319 5.9638 5.9638 6.5654 6.5654 6.6770 6.6770 6.7175 6.7175 7.7254 7.7254 8.0543 8.0543 8.9823 8.9823 9.4887 9.4887 9.6880 9.6880 9.8591 9.8591 9.9814 9.9814 10.3338 10.3338 10.7773 10.7773 11.0532 11.0532 k = 0.0000 0.0000 0.0825 ( 5593 PWs) bands (ev): -2.1234 -2.1234 -1.1064 -1.1064 3.7572 3.7572 4.0899 4.0899 4.7753 4.7753 5.5442 5.5442 5.9079 5.9079 6.5401 6.5401 6.7390 6.7390 6.7867 6.7867 7.7092 7.7092 8.0328 8.0328 9.0168 9.0168 9.4500 9.4500 9.6545 9.6545 9.7930 9.7930 9.9900 9.9900 10.4003 10.4003 10.8439 10.8439 10.9978 10.9978 k = 0.0000 0.0000 0.0943 ( 5585 PWs) bands (ev): -2.1071 -2.1071 -1.1298 -1.1298 3.7651 3.7651 4.1239 4.1239 4.7292 4.7292 5.5583 5.5583 5.8524 5.8524 6.5119 6.5119 6.8054 6.8054 6.8566 6.8566 7.6916 7.6916 8.0097 8.0097 9.0545 9.0545 9.4107 9.4107 9.6236 9.6236 9.7215 9.7215 10.0053 10.0053 10.4688 10.4688 10.9034 10.9034 10.9544 10.9544 k = 0.0000 0.0000 0.1061 ( 5586 PWs) bands (ev): -2.0889 -2.0889 -1.1557 -1.1557 3.7742 3.7742 4.1614 4.1614 4.6817 4.6817 5.5743 5.5743 5.7972 5.7972 6.4812 6.4812 6.8748 6.8748 6.9269 6.9269 7.6733 7.6733 7.9854 7.9854 9.0947 9.0947 9.3717 9.3717 9.5952 9.5952 9.6496 9.6496 10.0234 10.0234 10.5388 10.5388 10.8787 10.8787 11.0011 11.0011 k = 0.0000 0.0000 0.1179 ( 5592 PWs) bands (ev): -2.0686 -2.0686 -1.1838 -1.1838 3.7846 3.7846 4.2020 4.2020 4.6337 4.6337 5.5919 5.5919 5.7421 5.7421 6.4485 6.4485 6.9461 6.9461 6.9972 6.9972 7.6547 7.6547 7.9605 7.9605 9.1366 9.1366 9.3334 9.3334 9.5650 9.5650 9.5829 9.5829 10.0430 10.0430 10.6098 10.6098 10.8314 10.8314 11.0767 11.0767 k = 0.0000 0.0000 0.1297 ( 5596 PWs) bands (ev): -2.0465 -2.0465 -1.2141 -1.2141 3.7962 3.7962 4.2450 4.2450 4.5864 4.5864 5.6113 5.6113 5.6869 5.6869 6.4140 6.4140 7.0177 7.0177 7.0671 7.0671 7.6364 7.6364 7.9356 7.9356 9.1792 9.1792 9.2960 9.2960 9.5043 9.5043 9.5512 9.5512 10.0635 10.0636 10.6806 10.6806 10.7882 10.7882 11.1551 11.1551 k = 0.0000 0.0000 0.1414 ( 5600 PWs) bands (ev): -2.0225 -2.0225 -1.2462 -1.2462 3.8092 3.8092 4.2890 4.2890 4.5414 4.5414 5.6277 5.6277 5.6360 5.6360 6.3782 6.3782 7.0884 7.0884 7.1361 7.1361 7.6191 7.6191 7.9115 7.9115 9.2214 9.2214 9.2599 9.2599 9.4372 9.4372 9.5311 9.5311 10.0849 10.0849 10.7373 10.7373 10.7646 10.7646 11.2299 11.2299 k = 0.0000 0.0000 0.1532 ( 5602 PWs) bands (ev): -1.9967 -1.9967 -1.2799 -1.2799 3.8236 3.8236 4.3301 4.3301 4.5027 4.5027 5.5749 5.5749 5.6556 5.6556 6.3412 6.3412 7.1567 7.1567 7.2034 7.2034 7.6037 7.6037 7.8889 7.8889 9.2246 9.2246 9.2624 9.2624 9.3726 9.3726 9.5144 9.5144 10.1070 10.1070 10.7155 10.7155 10.8251 10.8251 11.2127 11.2127 k = 0.0000 0.0000 0.1650 ( 5608 PWs) bands (ev): -1.9692 -1.9692 -1.3151 -1.3151 3.8394 3.8394 4.3557 4.3557 4.4830 4.4830 5.5183 5.5183 5.6798 5.6798 6.3034 6.3034 7.2211 7.2211 7.2677 7.2677 7.5912 7.5912 7.8685 7.8685 9.1913 9.1913 9.2937 9.2937 9.3178 9.3178 9.5005 9.5005 10.1300 10.1300 10.6936 10.6936 10.8907 10.8907 11.1296 11.1296 k = 0.0000 0.0000 0.1768 ( 5612 PWs) bands (ev): -1.9400 -1.9400 -1.3515 -1.3515 3.8567 3.8567 4.3467 4.3467 4.5013 4.5013 5.4608 5.4608 5.7056 5.7056 6.2650 6.2650 7.2799 7.2799 7.3273 7.3273 7.5835 7.5835 7.8511 7.8511 9.1593 9.1593 9.2493 9.2493 9.3394 9.3394 9.4892 9.4892 10.1541 10.1541 10.6804 10.6804 10.9479 10.9479 11.0477 11.0477 k = 0.0000 0.0000 0.1886 ( 5600 PWs) bands (ev): -1.9094 -1.9094 -1.3889 -1.3889 3.8757 3.8757 4.3148 4.3148 4.5458 4.5458 5.4025 5.4025 5.7330 5.7330 6.2263 6.2263 7.3313 7.3313 7.3790 7.3790 7.5833 7.5833 7.8375 7.8375 9.1289 9.1289 9.1960 9.1960 9.3700 9.3700 9.4804 9.4804 10.1797 10.1797 10.6772 10.6772 10.9418 10.9418 11.0215 11.0215 k = 0.0000 0.0000 0.2004 ( 5594 PWs) bands (ev): -1.8773 -1.8773 -1.4271 -1.4271 3.8962 3.8962 4.2764 4.2764 4.6000 4.6000 5.3433 5.3433 5.7617 5.7617 6.1874 6.1874 7.3741 7.3741 7.4182 7.4182 7.5945 7.5945 7.8280 7.8280 9.1003 9.1003 9.1473 9.1473 9.3963 9.3963 9.4738 9.4738 10.2073 10.2073 10.6842 10.6842 10.8647 10.8647 11.0551 11.0551 k = 0.0000 0.0000 0.2122 ( 5592 PWs) bands (ev): -1.8439 -1.8439 -1.4658 -1.4658 3.9184 3.9184 4.2368 4.2368 4.6583 4.6583 5.2832 5.2832 5.7918 5.7918 6.1485 6.1485 7.4073 7.4073 7.4424 7.4424 7.6194 7.6194 7.8222 7.8222 9.0740 9.0740 9.1046 9.1046 9.4176 9.4176 9.4692 9.4692 10.2375 10.2375 10.7015 10.7015 10.7851 10.7851 11.0758 11.0758 k = 0.0000 0.0000 0.2239 ( 5588 PWs) bands (ev): -1.8093 -1.8093 -1.5049 -1.5049 3.9423 3.9423 4.1978 4.1978 4.7190 4.7190 5.2221 5.2221 5.8232 5.8232 6.1098 6.1098 7.4309 7.4309 7.4543 7.4543 7.6539 7.6539 7.8188 7.8188 9.0502 9.0502 9.0687 9.0687 9.4340 9.4340 9.4662 9.4662 10.2709 10.2709 10.7066 10.7066 10.7304 10.7304 11.0748 11.0748 k = 0.0000 0.0000 0.2357 ( 5592 PWs) bands (ev): -1.7736 -1.7736 -1.5442 -1.5442 3.9680 3.9680 4.1599 4.1599 4.7811 4.7811 5.1603 5.1603 5.8558 5.8558 6.0715 6.0715 7.4463 7.4463 7.4596 7.4596 7.6914 7.6914 7.8156 7.8156 9.0300 9.0300 9.0403 9.0403 9.4458 9.4458 9.4645 9.4645 10.3081 10.3081 10.6350 10.6350 10.7657 10.7657 11.0524 11.0524 k = 0.0000 0.0000 0.2475 ( 5592 PWs) bands (ev): -1.7369 -1.7369 -1.5834 -1.5834 3.9955 3.9955 4.1236 4.1236 4.8440 4.8440 5.0977 5.0977 5.8895 5.8895 6.0336 6.0336 7.4553 7.4553 7.4619 7.4619 7.7271 7.7271 7.8099 7.8099 9.0143 9.0143 9.0200 9.0200 9.4537 9.4537 9.4635 9.4635 10.3497 10.3497 10.5674 10.5674 10.8095 10.8095 11.0135 11.0135 k = 0.0000 0.0000 0.2593 ( 5598 PWs) bands (ev): -1.6994 -1.6994 -1.6225 -1.6225 4.0248 4.0248 4.0889 4.0889 4.9075 4.9075 5.0346 5.0346 5.9242 5.9242 5.9964 5.9964 7.4600 7.4600 7.4627 7.4627 7.7578 7.7578 7.7992 7.7992 9.0047 9.0047 9.0074 9.0074 9.4586 9.4586 9.4627 9.4627 10.3961 10.3961 10.5049 10.5049 10.8591 10.8591 10.9648 10.9648 k = 0.0000 0.0000 0.2711 ( 5586 PWs) bands (ev): -1.6613 -1.6613 -1.6611 -1.6611 4.0559 4.0559 4.0561 4.0561 4.9711 4.9711 4.9712 4.9712 5.9598 5.9598 5.9599 5.9599 7.4620 7.4620 7.4622 7.4622 7.7819 7.7819 7.7822 7.7822 9.0023 9.0023 9.0023 9.0023 9.4613 9.4613 9.4613 9.4613 10.4477 10.4477 10.4479 10.4479 10.9118 10.9118 10.9120 10.9120 k = 0.0000 0.0000 0.2711 ( 5586 PWs) bands (ev): -1.6613 -1.6613 -1.6611 -1.6611 4.0559 4.0559 4.0561 4.0561 4.9711 4.9711 4.9712 4.9712 5.9598 5.9598 5.9599 5.9599 7.4620 7.4620 7.4622 7.4622 7.7819 7.7819 7.7822 7.7822 9.0023 9.0023 9.0023 9.0023 9.4613 9.4613 9.4613 9.4613 10.4477 10.4477 10.4479 10.4479 10.9118 10.9118 10.9120 10.9120 k = 0.0119-0.0000 0.2711 ( 5608 PWs) bands (ev): -1.6600 -1.6600 -1.6597 -1.6597 4.0547 4.0547 4.0564 4.0564 4.9707 4.9707 4.9722 4.9722 5.9516 5.9516 5.9534 5.9534 7.4649 7.4649 7.4664 7.4664 7.7821 7.7821 7.7827 7.7827 9.0008 9.0008 9.0013 9.0013 9.4603 9.4603 9.4624 9.4624 10.4424 10.4424 10.4521 10.4521 10.9127 10.9127 10.9195 10.9195 k = 0.0238-0.0000 0.2711 ( 5600 PWs) bands (ev): -1.6560 -1.6560 -1.6556 -1.6556 4.0525 4.0525 4.0560 4.0560 4.9710 4.9710 4.9741 4.9741 5.9292 5.9292 5.9327 5.9327 7.4744 7.4744 7.4772 7.4772 7.7830 7.7830 7.7841 7.7841 8.9968 8.9968 8.9978 8.9978 9.4594 9.4594 9.4636 9.4636 10.4364 10.4364 10.4551 10.4551 10.9221 10.9221 10.9350 10.9350 k = 0.0357-0.0000 0.2711 ( 5594 PWs) bands (ev): -1.6494 -1.6494 -1.6488 -1.6488 4.0491 4.0491 4.0544 4.0544 4.9719 4.9719 4.9765 4.9765 5.8943 5.8943 5.8997 5.8997 7.4890 7.4890 7.4932 7.4932 7.7848 7.7848 7.7862 7.7862 8.9903 8.9903 8.9916 8.9916 9.4584 9.4584 9.4648 9.4648 10.4310 10.4310 10.4576 10.4576 10.9396 10.9396 10.9576 10.9576 k = 0.0476-0.0000 0.2711 ( 5598 PWs) bands (ev): -1.6400 -1.6400 -1.6393 -1.6393 4.0442 4.0442 4.0513 4.0513 4.9732 4.9732 4.9794 4.9794 5.8495 5.8495 5.8569 5.8569 7.5068 7.5068 7.5123 7.5123 7.7873 7.7873 7.7890 7.7890 8.9811 8.9811 8.9827 8.9827 9.4571 9.4571 9.4657 9.4657 10.4276 10.4276 10.4604 10.4604 10.9647 10.9647 10.9865 10.9865 k = 0.0595-0.0000 0.2711 ( 5602 PWs) bands (ev): -1.6280 -1.6280 -1.6272 -1.6272 4.0370 4.0370 4.0460 4.0460 4.9748 4.9748 4.9824 4.9824 5.7978 5.7978 5.8071 5.8071 7.5257 7.5257 7.5325 7.5325 7.7908 7.7908 7.7924 7.7924 8.9692 8.9692 8.9709 8.9709 9.4553 9.4553 9.4660 9.4660 10.4275 10.4275 10.4650 10.4650 10.9965 10.9965 11.0210 11.0210 k = 0.0714-0.0000 0.2711 ( 5606 PWs) bands (ev): -1.6133 -1.6133 -1.6123 -1.6123 4.0269 4.0269 4.0378 4.0378 4.9762 4.9762 4.9852 4.9852 5.7425 5.7425 5.7538 5.7538 7.5436 7.5436 7.5516 7.5516 7.7949 7.7949 7.7964 7.7964 8.9545 8.9545 8.9563 8.9563 9.4525 9.4525 9.4652 9.4652 10.4320 10.4320 10.4727 10.4727 11.0342 11.0342 11.0604 11.0604 k = 0.0833-0.0000 0.2711 ( 5600 PWs) bands (ev): -1.5959 -1.5959 -1.5948 -1.5948 4.0128 4.0128 4.0255 4.0255 4.9773 4.9773 4.9875 4.9875 5.6868 5.6868 5.7001 5.7001 7.5589 7.5589 7.5680 7.5680 7.7996 7.7996 7.8006 7.8006 8.9371 8.9371 8.9389 8.9389 9.4481 9.4481 9.4626 9.4626 10.4421 10.4421 10.4847 10.4847 11.0770 11.0770 11.1041 11.1041 k = 0.0952-0.0000 0.2711 ( 5600 PWs) bands (ev): -1.5759 -1.5759 -1.5746 -1.5746 3.9935 3.9935 4.0081 4.0081 4.9779 4.9779 4.9889 4.9889 5.6341 5.6341 5.6491 5.6491 7.5705 7.5705 7.5806 7.5806 7.8043 7.8043 7.8048 7.8048 8.9173 8.9173 8.9190 8.9190 9.4417 9.4417 9.4575 9.4575 10.4587 10.4587 10.5019 10.5019 11.1243 11.1243 11.1517 11.1517 k = 0.1071-0.0000 0.2711 ( 5604 PWs) bands (ev): -1.5532 -1.5532 -1.5518 -1.5518 3.9677 3.9677 3.9841 3.9841 4.9778 4.9778 4.9894 4.9894 5.5872 5.5872 5.6035 5.6035 7.5778 7.5778 7.5886 7.5886 7.8084 7.8084 7.8086 7.8086 8.8952 8.8952 8.8969 8.8969 9.4328 9.4328 9.4496 9.4496 10.4822 10.4822 10.5249 10.5249 11.1755 11.1755 11.2027 11.2027 k = 0.1190-0.0000 0.2711 ( 5612 PWs) bands (ev): -1.5278 -1.5278 -1.5263 -1.5263 3.9342 3.9342 3.9521 3.9521 4.9773 4.9773 4.9891 4.9891 5.5485 5.5485 5.5656 5.5656 7.5806 7.5806 7.5919 7.5919 7.8108 7.8108 7.8117 7.8117 8.8713 8.8713 8.8731 8.8731 9.4209 9.4209 9.4383 9.4383 10.5125 10.5125 10.5538 10.5538 11.2300 11.2300 11.2567 11.2567 k = 0.1310-0.0000 0.2711 ( 5608 PWs) bands (ev): -1.4998 -1.4998 -1.4982 -1.4982 3.8917 3.8917 3.9110 3.9110 4.9772 4.9772 4.9887 4.9887 5.5195 5.5195 5.5367 5.5367 7.5788 7.5788 7.5904 7.5904 7.8115 7.8115 7.8131 7.8131 8.8460 8.8460 8.8481 8.8481 9.4061 9.4061 9.4238 9.4238 10.5492 10.5492 10.5886 10.5886 11.2872 11.2872 11.3131 11.3131 k = 0.1429-0.0000 0.2711 ( 5616 PWs) bands (ev): -1.4692 -1.4692 -1.4675 -1.4675 3.8395 3.8395 3.8597 3.8597 4.9783 4.9783 4.9893 4.9893 5.5008 5.5008 5.5174 5.5174 7.5727 7.5727 7.5843 7.5843 7.8099 7.8099 7.8122 7.8122 8.8198 8.8198 8.8223 8.8223 9.3883 9.3883 9.4061 9.4061 10.5918 10.5918 10.6289 10.6289 11.3464 11.3464 11.3713 11.3713 k = 0.1548-0.0000 0.2711 ( 5604 PWs) bands (ev): -1.4360 -1.4360 -1.4341 -1.4341 3.7772 3.7772 3.7979 3.7979 4.9820 4.9820 4.9923 4.9923 5.4919 5.4919 5.5074 5.5074 7.5625 7.5625 7.5738 7.5738 7.8056 7.8056 7.8087 7.8087 8.7933 8.7933 8.7964 8.7964 9.3677 9.3677 9.3855 9.3855 10.6396 10.6396 10.6742 10.6742 11.4068 11.4068 11.4306 11.4306 k = 0.1667-0.0000 0.2711 ( 5594 PWs) bands (ev): -1.4001 -1.4001 -1.3982 -1.3982 3.7050 3.7050 3.7259 3.7259 4.9893 4.9893 4.9989 4.9989 5.4918 5.4918 5.5061 5.5061 7.5481 7.5481 7.5589 7.5589 7.7985 7.7985 7.8023 7.8023 8.7668 8.7668 8.7706 8.7706 9.3446 9.3446 9.3624 9.3624 10.6917 10.6917 10.7238 10.7238 11.4678 11.4678 11.4901 11.4901 k = 0.1786-0.0000 0.2711 ( 5598 PWs) bands (ev): -1.3617 -1.3617 -1.3597 -1.3597 3.6236 3.6236 3.6442 3.6442 5.0010 5.0010 5.0101 5.0101 5.4994 5.4994 5.5121 5.5121 7.5300 7.5300 7.5400 7.5400 7.7884 7.7884 7.7930 7.7930 8.7407 8.7407 8.7456 8.7456 9.3194 9.3194 9.3372 9.3372 10.7474 10.7474 10.7772 10.7772 11.5285 11.5285 11.5491 11.5491 k = 0.1905-0.0000 0.2711 ( 5598 PWs) bands (ev): -1.3206 -1.3206 -1.3186 -1.3186 3.5339 3.5339 3.5539 3.5539 5.0175 5.0175 5.0264 5.0264 5.5133 5.5133 5.5246 5.5246 7.5080 7.5080 7.5171 7.5171 7.7752 7.7752 7.7806 7.7806 8.7156 8.7156 8.7215 8.7215 9.2926 9.2926 9.3105 9.3105 10.8063 10.8063 10.8339 10.8339 11.5882 11.5882 11.6068 11.6068 k = 0.2024-0.0000 0.2711 ( 5608 PWs) bands (ev): -1.2771 -1.2771 -1.2749 -1.2749 3.4371 3.4371 3.4563 3.4563 5.0388 5.0388 5.0478 5.0478 5.5325 5.5325 5.5424 5.5424 7.4825 7.4825 7.4905 7.4905 7.7590 7.7590 7.7653 7.7653 8.6915 8.6915 8.6987 8.6987 9.2645 9.2645 9.2826 9.2826 10.8678 10.8678 10.8935 10.8935 11.6465 11.6465 11.6628 11.6628 k = 0.2143-0.0000 0.2711 ( 5616 PWs) bands (ev): -1.2309 -1.2309 -1.2287 -1.2287 3.3342 3.3342 3.3526 3.3526 5.0649 5.0649 5.0742 5.0742 5.5562 5.5562 5.5648 5.5648 7.4536 7.4536 7.4604 7.4604 7.7399 7.7399 7.7471 7.7471 8.6689 8.6689 8.6774 8.6774 9.2354 9.2354 9.2538 9.2538 10.9317 10.9317 10.9558 10.9558 11.7032 11.7032 11.7170 11.7170 k = 0.2262-0.0000 0.2711 ( 5622 PWs) bands (ev): -1.1822 -1.1822 -1.1800 -1.1800 3.2265 3.2265 3.2439 3.2439 5.0953 5.0953 5.1051 5.1051 5.5835 5.5835 5.5910 5.5910 7.4215 7.4215 7.4270 7.4270 7.7179 7.7179 7.7261 7.7261 8.6477 8.6477 8.6577 8.6577 9.2057 9.2057 9.2246 9.2246 10.9978 10.9978 11.0205 11.0205 11.7583 11.7583 11.7696 11.7696 k = 0.2381-0.0000 0.2711 ( 5614 PWs) bands (ev): -1.1310 -1.1310 -1.1288 -1.1288 3.1149 3.1149 3.1312 3.1312 5.1297 5.1297 5.1401 5.1401 5.6140 5.6140 5.6205 5.6205 7.3863 7.3863 7.3905 7.3905 7.6933 7.6933 7.7024 7.7024 8.6281 8.6281 8.6396 8.6396 9.1756 9.1756 9.1952 9.1952 11.0659 11.0659 11.0875 11.0875 11.8122 11.8122 11.8212 11.8212 k = 0.2500-0.0000 0.2711 ( 5618 PWs) bands (ev): -1.0773 -1.0773 -1.0751 -1.0751 3.0002 3.0002 3.0155 3.0155 5.1676 5.1676 5.1788 5.1788 5.6472 5.6472 5.6529 5.6529 7.3485 7.3485 7.3512 7.3512 7.6661 7.6661 7.6762 7.6762 8.6101 8.6101 8.6231 8.6231 9.1453 9.1453 9.1656 9.1656 11.1360 11.1360 11.1567 11.1567 11.8653 11.8653 11.8721 11.8721 k = 0.2619-0.0000 0.2711 ( 5626 PWs) bands (ev): -1.0212 -1.0212 -1.0189 -1.0189 2.8832 2.8832 2.8976 2.8976 5.2088 5.2088 5.2207 5.2207 5.6829 5.6829 5.6879 5.6879 7.3081 7.3081 7.3095 7.3095 7.6365 7.6365 7.6476 7.6476 8.5938 8.5938 8.6081 8.6081 9.1151 9.1151 9.1362 9.1362 11.2081 11.2081 11.2281 11.2281 11.9178 11.9178 11.9228 11.9228 k = 0.2738-0.0000 0.2711 ( 5618 PWs) bands (ev): -0.9625 -0.9625 -0.9603 -0.9603 2.7645 2.7645 2.7779 2.7779 5.2526 5.2526 5.2654 5.2654 5.7208 5.7208 5.7251 5.7251 7.2654 7.2654 7.2657 7.2657 7.6047 7.6047 7.6168 7.6168 8.5789 8.5789 8.5946 8.5946 9.0850 9.0850 9.1069 9.1069 11.2823 11.2823 11.3017 11.3017 11.9702 11.9702 11.9737 11.9737 k = 0.2857-0.0000 0.2711 ( 5606 PWs) bands (ev): -0.9014 -0.9014 -0.8992 -0.8992 2.6447 2.6447 2.6572 2.6572 5.2989 5.2989 5.3125 5.3125 5.7606 5.7606 5.7644 5.7644 7.2196 7.2196 7.2211 7.2211 7.5708 7.5708 7.5838 7.5838 8.5656 8.5656 8.5826 8.5826 9.0550 9.0550 9.0779 9.0779 11.3584 11.3584 11.3774 11.3774 12.0224 12.0224 12.0249 12.0249 k = 0.2976-0.0000 0.2711 ( 5610 PWs) bands (ev): -0.8379 -0.8379 -0.8358 -0.8358 2.5242 2.5242 2.5357 2.5357 5.3472 5.3472 5.3616 5.3616 5.8023 5.8023 5.8056 5.8056 7.1721 7.1721 7.1749 7.1749 7.5350 7.5350 7.5488 7.5488 8.5538 8.5538 8.5719 8.5719 9.0253 9.0253 9.0492 9.0492 11.4365 11.4365 11.4552 11.4552 12.0747 12.0747 12.0763 12.0763 k = 0.3095-0.0000 0.2711 ( 5614 PWs) bands (ev): -0.7720 -0.7720 -0.7699 -0.7699 2.4034 2.4034 2.4140 2.4140 5.3973 5.3973 5.4124 5.4124 5.8456 5.8456 5.8486 5.8486 7.1232 7.1232 7.1273 7.1273 7.4973 7.4973 7.5120 7.5120 8.5433 8.5433 8.5625 8.5625 8.9958 8.9958 9.0206 9.0206 11.5164 11.5164 11.5349 11.5349 12.1268 12.1268 12.1280 12.1280 k = 0.3214-0.0000 0.2711 ( 5610 PWs) bands (ev): -0.7037 -0.7037 -0.7017 -0.7017 2.2825 2.2825 2.2923 2.2923 5.4487 5.4487 5.4646 5.4646 5.8906 5.8906 5.8932 5.8932 7.0731 7.0731 7.0786 7.0786 7.4579 7.4579 7.4733 7.4733 8.5343 8.5343 8.5545 8.5545 8.9666 8.9666 8.9924 8.9924 11.5982 11.5982 11.6164 11.6164 12.1785 12.1785 12.1796 12.1796 k = 0.3333-0.0000 0.2711 ( 5616 PWs) bands (ev): -0.6331 -0.6331 -0.6312 -0.6312 2.1619 2.1619 2.1709 2.1709 5.5013 5.5013 5.5179 5.5179 5.9370 5.9370 5.9393 5.9393 7.0221 7.0221 7.0289 7.0289 7.4170 7.4170 7.4330 7.4330 8.5267 8.5267 8.5478 8.5478 8.9377 8.9377 8.9643 8.9643 11.6815 11.6815 11.6996 11.6996 12.2297 12.2297 12.2309 12.2309 k = 0.3452-0.0000 0.2711 ( 5620 PWs) bands (ev): -0.5601 -0.5601 -0.5583 -0.5583 2.0417 2.0417 2.0500 2.0500 5.5548 5.5548 5.5720 5.5720 5.9849 5.9849 5.9869 5.9869 6.9705 6.9705 6.9786 6.9786 7.3745 7.3745 7.3911 7.3911 8.5205 8.5205 8.5425 8.5425 8.9090 8.9090 8.9365 8.9365 11.7662 11.7662 11.7840 11.7840 12.2799 12.2799 12.2815 12.2815 k = 0.3571-0.0000 0.2711 ( 5620 PWs) bands (ev): -0.4848 -0.4848 -0.4831 -0.4831 1.9223 1.9223 1.9299 1.9299 5.6090 5.6090 5.6266 5.6266 6.0341 6.0341 6.0358 6.0358 6.9183 6.9183 6.9277 6.9277 7.3305 7.3305 7.3475 7.3475 8.5158 8.5158 8.5386 8.5386 8.8806 8.8806 8.9089 8.9089 11.8520 11.8520 11.8694 11.8694 12.3288 12.3288 12.3310 12.3310 k = 0.3690-0.0000 0.2711 ( 5624 PWs) bands (ev): -0.4072 -0.4072 -0.4057 -0.4057 1.8037 1.8037 1.8106 1.8106 5.6636 5.6636 5.6816 5.6816 6.0844 6.0844 6.0859 6.0859 6.8658 6.8658 6.8766 6.8766 7.2852 7.2852 7.3025 7.3025 8.5127 8.5127 8.5362 8.5362 8.8526 8.8526 8.8815 8.8815 11.9383 11.9383 11.9553 11.9553 12.3761 12.3761 12.3792 12.3792 k = 0.3810-0.0000 0.2711 ( 5640 PWs) bands (ev): -0.3274 -0.3274 -0.3260 -0.3260 1.6861 1.6861 1.6923 1.6923 5.7185 5.7185 5.7367 5.7367 6.1358 6.1358 6.1371 6.1371 6.8132 6.8132 6.8255 6.8255 7.2385 7.2385 7.2561 7.2561 8.5111 8.5111 8.5353 8.5353 8.8249 8.8249 8.8544 8.8544 12.0247 12.0247 12.0411 12.0411 12.4216 12.4216 12.4258 12.4258 k = 0.3929-0.0000 0.2711 ( 5640 PWs) bands (ev): -0.2453 -0.2453 -0.2441 -0.2441 1.5696 1.5696 1.5752 1.5752 5.7734 5.7734 5.7918 5.7918 6.1879 6.1879 6.1891 6.1891 6.7607 6.7607 6.7746 6.7746 7.1905 7.1905 7.2082 7.2082 8.5112 8.5112 8.5360 8.5360 8.7977 8.7977 8.8277 8.8277 12.1104 12.1104 12.1260 12.1260 12.4653 12.4653 12.4707 12.4707 k = 0.4048-0.0000 0.2711 ( 5640 PWs) bands (ev): -0.1611 -0.1611 -0.1601 -0.1601 1.4544 1.4544 1.4594 1.4594 5.8284 5.8284 5.8467 5.8467 6.2402 6.2402 6.2416 6.2416 6.7086 6.7086 6.7243 6.7243 7.1413 7.1413 7.1591 7.1591 8.5129 8.5129 8.5385 8.5385 8.7711 8.7711 8.8014 8.8014 12.1947 12.1947 12.2092 12.2092 12.5072 12.5072 12.5140 12.5140 k = 0.4167-0.0000 0.2711 ( 5656 PWs) bands (ev): -0.0746 -0.0746 -0.0738 -0.0738 1.3405 1.3405 1.3450 1.3450 5.8832 5.8832 5.9013 5.9013 6.2921 6.2921 6.2940 6.2940 6.6576 6.6576 6.6755 6.6755 7.0909 7.0909 7.1087 7.1087 8.5165 8.5165 8.5426 8.5426 8.7450 8.7450 8.7756 8.7756 12.2763 12.2763 12.2892 12.2892 12.5475 12.5475 12.5558 12.5558 k = 0.4286-0.0000 0.2711 ( 5638 PWs) bands (ev): 0.0140 0.0140 0.0146 0.0146 1.2281 1.2281 1.2320 1.2320 5.9379 5.9379 5.9556 5.9556 6.3417 6.3417 6.3448 6.3448 6.6088 6.6088 6.6297 6.6297 7.0395 7.0395 7.0571 7.0571 8.5218 8.5218 8.5485 8.5485 8.7198 8.7198 8.7505 8.7505 12.3541 12.3541 12.3648 12.3648 12.5860 12.5860 12.5961 12.5961 k = 0.4405-0.0000 0.2711 ( 5630 PWs) bands (ev): 0.1047 0.1047 0.1051 0.1051 1.1171 1.1171 1.1206 1.1206 5.9923 5.9923 6.0095 6.0095 6.3844 6.3844 6.3899 6.3899 6.5665 6.5665 6.5916 6.5916 6.9870 6.9870 7.0044 7.0044 8.5289 8.5289 8.5563 8.5563 8.6955 8.6955 8.7262 8.7262 12.4263 12.4263 12.4342 12.4342 12.6219 12.6219 12.6343 12.6343 k = 0.4524-0.0000 0.2711 ( 5630 PWs) bands (ev): 0.1975 0.1975 0.1977 0.1977 1.0078 1.0078 1.0108 1.0108 6.0464 6.0464 6.0629 6.0629 6.4078 6.4078 6.4143 6.4143 6.5452 6.5452 6.5731 6.5731 6.9337 6.9337 6.9509 6.9509 8.5380 8.5380 8.5658 8.5658 8.6722 8.6722 8.7029 8.7029 12.4915 12.4915 12.4958 12.4958 12.6527 12.6527 12.6679 12.6679 k = 0.4643-0.0000 0.2711 ( 5636 PWs) bands (ev): 0.2921 0.2921 0.2925 0.2925 0.9002 0.9002 0.9027 0.9027 6.1001 6.1001 6.1158 6.1158 6.3975 6.3975 6.3982 6.3982 6.5648 6.5648 6.5887 6.5887 6.8795 6.8795 6.8965 6.8965 8.5488 8.5488 8.5772 8.5772 8.6501 8.6501 8.6806 8.6806 12.5484 12.5484 12.5488 12.5488 12.6739 12.6739 12.6915 12.6915 k = 0.4762-0.0000 0.2711 ( 5640 PWs) bands (ev): 0.3887 0.3887 0.3894 0.3894 0.7942 0.7942 0.7964 0.7964 6.1535 6.1535 6.1681 6.1681 6.3576 6.3576 6.3629 6.3629 6.6090 6.6090 6.6287 6.6287 6.8249 6.8249 6.8416 6.8416 8.5615 8.5615 8.5903 8.5903 8.6293 8.6293 8.6596 8.6596 12.5930 12.5930 12.5967 12.5967 12.6814 12.6814 12.6991 12.6991 k = 0.4881-0.0000 0.2711 ( 5636 PWs) bands (ev): 0.4873 0.4873 0.4883 0.4883 0.6901 0.6901 0.6918 0.6918 6.2063 6.2063 6.2196 6.2196 6.3094 6.3094 6.3184 6.3184 6.6607 6.6607 6.6784 6.6784 6.7698 6.7698 6.7865 6.7865 8.5759 8.5759 8.6052 8.6052 8.6099 8.6099 8.6400 8.6400 12.6289 12.6289 12.6365 12.6365 12.6747 12.6747 12.6899 12.6899 k = 0.5000-0.0000 0.2711 ( 5640 PWs) bands (ev): 0.5877 0.5877 0.5877 0.5877 0.5891 0.5891 0.5891 0.5891 6.2585 6.2585 6.2585 6.2585 6.2700 6.2700 6.2700 6.2700 6.7149 6.7149 6.7149 6.7149 6.7318 6.7318 6.7318 6.7318 8.5921 8.5921 8.5921 8.5921 8.6218 8.6218 8.6218 8.6218 12.6565 12.6565 12.6565 12.6565 12.6680 12.6680 12.6680 12.6680 k = 0.5000-0.0000 0.2711 ( 5640 PWs) bands (ev): 0.5877 0.5877 0.5877 0.5877 0.5891 0.5891 0.5891 0.5891 6.2585 6.2585 6.2585 6.2585 6.2700 6.2700 6.2700 6.2700 6.7149 6.7149 6.7149 6.7149 6.7318 6.7318 6.7318 6.7318 8.5921 8.5921 8.5921 8.5921 8.6218 8.6218 8.6218 8.6218 12.6565 12.6565 12.6565 12.6565 12.6680 12.6680 12.6680 12.6680 k = 0.5000 0.0119 0.2711 ( 5644 PWs) bands (ev): 0.5873 0.5873 0.5887 0.5887 0.5892 0.5892 0.5896 0.5896 6.2547 6.2547 6.2554 6.2554 6.2658 6.2658 6.2675 6.2675 6.7172 6.7172 6.7193 6.7193 6.7337 6.7337 6.7364 6.7364 8.5923 8.5923 8.5923 8.5923 8.6213 8.6213 8.6226 8.6226 12.6528 12.6528 12.6547 12.6547 12.6646 12.6646 12.6662 12.6662 k = 0.5000 0.0238 0.2711 ( 5648 PWs) bands (ev): 0.5875 0.5875 0.5898 0.5898 0.5904 0.5904 0.5907 0.5907 6.2444 6.2444 6.2459 6.2459 6.2555 6.2555 6.2586 6.2586 6.7261 6.7261 6.7302 6.7302 6.7418 6.7418 6.7470 6.7470 8.5929 8.5929 8.5930 8.5930 8.6210 8.6210 8.6236 8.6236 12.6440 12.6440 12.6476 12.6476 12.6561 12.6562 12.6592 12.6592 k = 0.5000 0.0357 0.2711 ( 5636 PWs) bands (ev): 0.5882 0.5882 0.5910 0.5910 0.5923 0.5923 0.5925 0.5925 6.2283 6.2283 6.2308 6.2308 6.2396 6.2396 6.2440 6.2440 6.7407 6.7407 6.7465 6.7465 6.7553 6.7553 6.7629 6.7629 8.5939 8.5939 8.5941 8.5941 8.6211 8.6211 8.6249 8.6249 12.6299 12.6299 12.6348 12.6348 12.6425 12.6425 12.6468 12.6468 k = 0.5000 0.0476 0.2711 ( 5620 PWs) bands (ev): 0.5896 0.5896 0.5928 0.5928 0.5945 0.5945 0.5952 0.5952 6.2075 6.2075 6.2111 6.2111 6.2193 6.2193 6.2248 6.2248 6.7600 6.7600 6.7673 6.7673 6.7734 6.7734 6.7831 6.7831 8.5954 8.5954 8.5957 8.5957 8.6214 8.6214 8.6265 8.6265 12.6107 12.6107 12.6163 12.6163 12.6234 12.6234 12.6287 12.6287 k = 0.5000 0.0595 0.2711 ( 5624 PWs) bands (ev): 0.5915 0.5915 0.5952 0.5952 0.5973 0.5973 0.5985 0.5985 6.1831 6.1831 6.1881 6.1881 6.1955 6.1955 6.2019 6.2019 6.7830 6.7830 6.7914 6.7914 6.7949 6.7949 6.8065 6.8065 8.5973 8.5973 8.5977 8.5977 8.6221 8.6221 8.6283 8.6283 12.5862 12.5862 12.5921 12.5921 12.5990 12.5990 12.6049 12.6049 k = 0.5000 0.0714 0.2711 ( 5644 PWs) bands (ev): 0.5939 0.5939 0.5980 0.5980 0.6006 0.6006 0.6022 0.6022 6.1561 6.1561 6.1625 6.1625 6.1692 6.1692 6.1763 6.1763 6.8085 6.8085 6.8179 6.8179 6.8190 6.8190 6.8323 6.8323 8.5996 8.5996 8.6003 8.6003 8.6232 8.6232 8.6304 8.6304 12.5566 12.5566 12.5623 12.5623 12.5691 12.5691 12.5753 12.5753 k = 0.5000 0.0833 0.2711 ( 5652 PWs) bands (ev): 0.5968 0.5968 0.6013 0.6013 0.6044 0.6044 0.6064 0.6064 6.1273 6.1273 6.1352 6.1352 6.1410 6.1410 6.1489 6.1489 6.8360 6.8360 6.8447 6.8447 6.8459 6.8459 6.8598 6.8598 8.6024 8.6024 8.6033 8.6033 8.6247 8.6247 8.6328 8.6328 12.5222 12.5222 12.5271 12.5271 12.5340 12.5340 12.5402 12.5402 k = 0.5000 0.0952 0.2711 ( 5628 PWs) bands (ev): 0.6002 0.6002 0.6050 0.6050 0.6086 0.6086 0.6111 0.6111 6.0972 6.0972 6.1067 6.1067 6.1116 6.1116 6.1202 6.1202 6.8646 6.8646 6.8717 6.8717 6.8750 6.8750 6.8883 6.8883 8.6057 8.6057 8.6068 8.6068 8.6266 8.6266 8.6355 8.6355 12.4831 12.4831 12.4872 12.4872 12.4940 12.4940 12.5000 12.5000 k = 0.5000 0.1071 0.2711 ( 5620 PWs) bands (ev): 0.6041 0.6041 0.6091 0.6091 0.6133 0.6133 0.6161 0.6161 6.0665 6.0665 6.0776 6.0776 6.0814 6.0814 6.0907 6.0907 6.8941 6.8941 6.8992 6.8992 6.9045 6.9045 6.9174 6.9174 8.6094 8.6094 8.6108 8.6108 8.6289 8.6289 8.6385 8.6385 12.4400 12.4400 12.4429 12.4429 12.4497 12.4497 12.4554 12.4554 k = 0.5000 0.1190 0.2711 ( 5628 PWs) bands (ev): 0.6083 0.6083 0.6136 0.6136 0.6183 0.6183 0.6215 0.6215 6.0354 6.0354 6.0483 6.0483 6.0509 6.0509 6.0608 6.0608 6.9238 6.9238 6.9270 6.9270 6.9341 6.9341 6.9467 6.9467 8.6136 8.6136 8.6153 8.6153 8.6317 8.6317 8.6419 8.6419 12.3933 12.3933 12.3951 12.3951 12.4018 12.4018 12.4070 12.4070 k = 0.5000 0.1309 0.2711 ( 5624 PWs) bands (ev): 0.6129 0.6129 0.6184 0.6184 0.6237 0.6237 0.6271 0.6271 6.0045 6.0045 6.0189 6.0189 6.0202 6.0202 6.0309 6.0309 6.9536 6.9536 6.9548 6.9548 6.9635 6.9635 6.9759 6.9759 8.6182 8.6182 8.6203 8.6203 8.6350 8.6350 8.6455 8.6455 12.3439 12.3439 12.3445 12.3445 12.3510 12.3510 12.3558 12.3558 k = 0.5000 0.1428 0.2711 ( 5620 PWs) bands (ev): 0.6177 0.6177 0.6234 0.6234 0.6294 0.6294 0.6330 0.6330 5.9738 5.9738 5.9897 5.9897 5.9900 5.9900 6.0012 6.0012 6.9822 6.9822 6.9831 6.9831 6.9923 6.9923 7.0048 7.0048 8.6233 8.6233 8.6258 8.6258 8.6388 8.6388 8.6494 8.6494 12.2917 12.2917 12.2922 12.2922 12.2981 12.2981 12.3024 12.3024 k = 0.5000 0.1547 0.2711 ( 5616 PWs) bands (ev): 0.6229 0.6229 0.6287 0.6287 0.6352 0.6352 0.6391 0.6391 5.9437 5.9437 5.9598 5.9598 5.9614 5.9614 5.9720 5.9720 7.0091 7.0091 7.0122 7.0122 7.0205 7.0205 7.0330 7.0330 8.6287 8.6287 8.6317 8.6317 8.6430 8.6430 8.6537 8.6537 12.2377 12.2377 12.2392 12.2392 12.2438 12.2438 12.2477 12.2477 k = 0.5000 0.1666 0.2711 ( 5616 PWs) bands (ev): 0.6282 0.6282 0.6340 0.6340 0.6412 0.6412 0.6453 0.6453 5.9144 5.9144 5.9305 5.9305 5.9336 5.9336 5.9435 5.9435 7.0353 7.0353 7.0406 7.0406 7.0478 7.0478 7.0605 7.0605 8.6346 8.6346 8.6379 8.6379 8.6477 8.6477 8.6582 8.6582 12.1830 12.1830 12.1855 12.1855 12.1889 12.1889 12.1924 12.1924 k = 0.5000 0.1785 0.2711 ( 5612 PWs) bands (ev): 0.6336 0.6336 0.6394 0.6394 0.6474 0.6474 0.6515 0.6515 5.8861 5.8861 5.9019 5.9019 5.9066 5.9066 5.9159 5.9159 7.0607 7.0607 7.0681 7.0681 7.0740 7.0740 7.0871 7.0871 8.6407 8.6407 8.6446 8.6446 8.6528 8.6528 8.6629 8.6629 12.1284 12.1284 12.1318 12.1318 12.1341 12.1341 12.1373 12.1373 k = 0.5000 0.1904 0.2711 ( 5604 PWs) bands (ev): 0.6391 0.6391 0.6449 0.6449 0.6535 0.6535 0.6577 0.6577 5.8588 5.8588 5.8744 5.8744 5.8807 5.8807 5.8892 5.8892 7.0850 7.0850 7.0946 7.0946 7.0989 7.0989 7.1126 7.1126 8.6471 8.6471 8.6514 8.6514 8.6582 8.6582 8.6679 8.6679 12.0745 12.0745 12.0787 12.0787 12.0799 12.0799 12.0829 12.0829 k = 0.5000 0.2023 0.2711 ( 5612 PWs) bands (ev): 0.6446 0.6446 0.6502 0.6502 0.6596 0.6596 0.6638 0.6638 5.8329 5.8329 5.8480 5.8480 5.8559 5.8559 5.8638 5.8638 7.1083 7.1083 7.1200 7.1200 7.1226 7.1226 7.1369 7.1369 8.6537 8.6537 8.6585 8.6585 8.6639 8.6639 8.6730 8.6730 12.0219 12.0219 12.0267 12.0267 12.0271 12.0271 12.0300 12.0300 k = 0.5000 0.2142 0.2711 ( 5612 PWs) bands (ev): 0.6500 0.6500 0.6555 0.6555 0.6657 0.6657 0.6698 0.6698 5.8083 5.8083 5.8229 5.8229 5.8325 5.8325 5.8396 5.8396 7.1303 7.1303 7.1441 7.1441 7.1448 7.1448 7.1599 7.1599 8.6604 8.6604 8.6657 8.6657 8.6699 8.6699 8.6782 8.6782 11.9712 11.9712 11.9760 11.9760 11.9766 11.9766 11.9789 11.9789 k = 0.5000 0.2261 0.2711 ( 5616 PWs) bands (ev): 0.6554 0.6554 0.6606 0.6606 0.6716 0.6716 0.6756 0.6756 5.7853 5.7853 5.7992 5.7992 5.8105 5.8105 5.8169 5.8169 7.1511 7.1511 7.1654 7.1654 7.1668 7.1668 7.1814 7.1814 8.6672 8.6672 8.6728 8.6728 8.6759 8.6759 8.6833 8.6833 11.9228 11.9228 11.9273 11.9273 11.9286 11.9286 11.9302 11.9302 k = 0.5000 0.2380 0.2711 ( 5624 PWs) bands (ev): 0.6605 0.6605 0.6654 0.6654 0.6772 0.6772 0.6810 0.6810 5.7640 5.7640 5.7770 5.7770 5.7900 5.7900 5.7957 5.7957 7.1704 7.1704 7.1844 7.1844 7.1880 7.1880 7.2013 7.2013 8.6738 8.6738 8.6798 8.6798 8.6820 8.6820 8.6885 8.6885 11.8771 11.8771 11.8814 11.8814 11.8834 11.8834 11.8843 11.8843 k = 0.5000 0.2499 0.2711 ( 5628 PWs) bands (ev): 0.6654 0.6654 0.6700 0.6700 0.6826 0.6826 0.6862 0.6862 5.7444 5.7444 5.7565 5.7565 5.7711 5.7711 5.7762 5.7762 7.1883 7.1883 7.2017 7.2017 7.2075 7.2075 7.2196 7.2196 8.6804 8.6804 8.6866 8.6866 8.6881 8.6881 8.6934 8.6934 11.8346 11.8346 11.8386 11.8386 11.8412 11.8412 11.8417 11.8417 k = 0.5000 0.2618 0.2711 ( 5620 PWs) bands (ev): 0.6700 0.6700 0.6742 0.6742 0.6876 0.6876 0.6909 0.6909 5.7267 5.7267 5.7377 5.7377 5.7540 5.7540 5.7584 5.7584 7.2046 7.2046 7.2172 7.2172 7.2254 7.2254 7.2361 7.2361 8.6866 8.6866 8.6931 8.6931 8.6939 8.6939 8.6981 8.6981 11.7957 11.7957 11.7993 11.7993 11.8025 11.8025 11.8026 11.8026 k = 0.5000 0.2737 0.2711 ( 5612 PWs) bands (ev): 0.6742 0.6742 0.6780 0.6780 0.6922 0.6922 0.6952 0.6952 5.7109 5.7109 5.7208 5.7208 5.7387 5.7387 5.7425 5.7425 7.2193 7.2193 7.2309 7.2309 7.2414 7.2414 7.2508 7.2508 8.6925 8.6925 8.6991 8.6991 8.6994 8.6994 8.7024 8.7024 11.7606 11.7606 11.7638 11.7638 11.7674 11.7674 11.7675 11.7675 k = 0.5000 0.2856 0.2711 ( 5620 PWs) bands (ev): 0.6780 0.6780 0.6814 0.6814 0.6963 0.6963 0.6990 0.6990 5.6972 5.6972 5.7059 5.7059 5.7253 5.7253 5.7285 5.7285 7.2323 7.2323 7.2427 7.2427 7.2555 7.2555 7.2637 7.2637 8.6979 8.6979 8.7045 8.7045 8.7045 8.7045 8.7064 8.7064 11.7296 11.7296 11.7325 11.7325 11.7364 11.7364 11.7367 11.7367 k = 0.5000 0.2975 0.2711 ( 5620 PWs) bands (ev): 0.6814 0.6814 0.6842 0.6842 0.6999 0.6999 0.7022 0.7022 5.6857 5.6857 5.6930 5.6930 5.7139 5.7139 5.7165 5.7165 7.2436 7.2436 7.2525 7.2525 7.2677 7.2677 7.2745 7.2745 8.7027 8.7027 8.7091 8.7091 8.7093 8.7093 8.7097 8.7097 11.7031 11.7031 11.7055 11.7055 11.7097 11.7097 11.7101 11.7101 k = 0.5000 0.3094 0.2711 ( 5616 PWs) bands (ev): 0.6842 0.6842 0.6866 0.6866 0.7030 0.7030 0.7049 0.7049 5.6762 5.6762 5.6822 5.6822 5.7045 5.7045 5.7066 5.7066 7.2531 7.2531 7.2604 7.2604 7.2779 7.2779 7.2834 7.2834 8.7069 8.7069 8.7125 8.7125 8.7130 8.7130 8.7133 8.7133 11.6811 11.6811 11.6831 11.6831 11.6877 11.6877 11.6880 11.6880 k = 0.5000 0.3213 0.2711 ( 5620 PWs) bands (ev): 0.6866 0.6866 0.6883 0.6883 0.7055 0.7055 0.7070 0.7070 5.6690 5.6690 5.6735 5.6735 5.6972 5.6972 5.6988 5.6988 7.2608 7.2608 7.2664 7.2664 7.2861 7.2861 7.2901 7.2901 8.7104 8.7104 8.7146 8.7146 8.7161 8.7161 8.7165 8.7165 11.6639 11.6639 11.6655 11.6655 11.6704 11.6704 11.6707 11.6707 k = 0.5000 0.3332 0.2711 ( 5624 PWs) bands (ev): 0.6884 0.6884 0.6895 0.6895 0.7074 0.7074 0.7084 0.7084 5.6641 5.6641 5.6671 5.6671 5.6920 5.6920 5.6931 5.6931 7.2666 7.2666 7.2704 7.2704 7.2921 7.2921 7.2948 7.2948 8.7132 8.7132 8.7159 8.7159 8.7185 8.7185 8.7187 8.7187 11.6517 11.6517 11.6527 11.6527 11.6579 11.6579 11.6582 11.6582 k = 0.5000 0.3451 0.2711 ( 5628 PWs) bands (ev): 0.6896 0.6896 0.6901 0.6901 0.7086 0.7086 0.7091 0.7091 5.6614 5.6614 5.6629 5.6629 5.6890 5.6890 5.6895 5.6895 7.2705 7.2705 7.2724 7.2724 7.2960 7.2960 7.2973 7.2973 8.7151 8.7151 8.7165 8.7165 8.7199 8.7199 8.7201 8.7201 11.6443 11.6443 11.6449 11.6449 11.6505 11.6505 11.6506 11.6506 k = 0.5000 0.3570 0.2711 ( 5632 PWs) bands (ev): 0.6902 0.6902 0.6902 0.6902 0.7092 0.7092 0.7092 0.7092 5.6610 5.6610 5.6610 5.6610 5.6882 5.6882 5.6882 5.6882 7.2724 7.2724 7.2724 7.2724 7.2977 7.2977 7.2977 7.2977 8.7162 8.7162 8.7162 8.7162 8.7205 8.7205 8.7205 8.7205 11.6421 11.6421 11.6421 11.6421 11.6480 11.6480 11.6480 11.6480 k = 0.5000 0.3570 0.2711 ( 5632 PWs) bands (ev): 0.6902 0.6902 0.6902 0.6902 0.7092 0.7092 0.7092 0.7092 5.6610 5.6610 5.6610 5.6610 5.6882 5.6882 5.6882 5.6882 7.2724 7.2724 7.2724 7.2724 7.2977 7.2977 7.2977 7.2977 8.7162 8.7162 8.7162 8.7162 8.7205 8.7205 8.7205 8.7205 11.6421 11.6421 11.6421 11.6421 11.6480 11.6480 11.6480 11.6480 k = 0.4881 0.3570 0.2711 ( 5632 PWs) bands (ev): 0.6020 0.6020 0.6022 0.6022 0.7989 0.7989 0.7992 0.7992 5.5959 5.5959 5.5962 5.5962 5.7526 5.7526 5.7529 5.7529 7.2490 7.2490 7.2491 7.2491 7.3224 7.3224 7.3225 7.3225 8.6928 8.6928 8.6929 8.6929 8.7447 8.7447 8.7447 8.7447 11.6193 11.6193 11.6193 11.6193 11.6660 11.6660 11.6661 11.6661 k = 0.4762 0.3570 0.2711 ( 5624 PWs) bands (ev): 0.5070 0.5070 0.5072 0.5072 0.8994 0.8994 0.8997 0.8997 5.5189 5.5189 5.5191 5.5191 5.8284 5.8284 5.8287 5.8287 7.2177 7.2177 7.2178 7.2178 7.3578 7.3578 7.3579 7.3579 8.6683 8.6683 8.6683 8.6683 8.7717 8.7717 8.7718 8.7718 11.5900 11.5900 11.5900 11.5900 11.6809 11.6809 11.6810 11.6810 k = 0.4643 0.3570 0.2711 ( 5632 PWs) bands (ev): 0.4137 0.4137 0.4140 0.4140 1.0018 1.0018 1.0020 1.0020 5.4414 5.4414 5.4417 5.4417 5.9038 5.9038 5.9040 5.9040 7.1871 7.1871 7.1872 7.1872 7.3951 7.3951 7.3952 7.3952 8.6445 8.6445 8.6446 8.6446 8.7998 8.7998 8.7998 8.7998 11.5575 11.5575 11.5575 11.5575 11.6889 11.6889 11.6890 11.6890 k = 0.4524 0.3570 0.2711 ( 5628 PWs) bands (ev): 0.3224 0.3224 0.3227 0.3227 1.1057 1.1057 1.1060 1.1060 5.3640 5.3640 5.3643 5.3643 5.9783 5.9783 5.9786 5.9786 7.1577 7.1577 7.1578 7.1578 7.4338 7.4338 7.4339 7.4339 8.6215 8.6215 8.6216 8.6216 8.8287 8.8287 8.8288 8.8288 11.5224 11.5224 11.5224 11.5224 11.6888 11.6888 11.6889 11.6889 k = 0.4405 0.3570 0.2711 ( 5624 PWs) bands (ev): 0.2331 0.2331 0.2334 0.2334 1.2113 1.2113 1.2116 1.2116 5.2869 5.2869 5.2872 5.2872 6.0518 6.0518 6.0520 6.0520 7.1296 7.1296 7.1297 7.1297 7.4736 7.4736 7.4737 7.4737 8.5995 8.5995 8.5996 8.5996 8.8587 8.8587 8.8588 8.8588 11.4850 11.4850 11.4851 11.4851 11.6796 11.6796 11.6797 11.6797 k = 0.4286 0.3570 0.2711 ( 5616 PWs) bands (ev): 0.1458 0.1458 0.1461 0.1461 1.3183 1.3183 1.3186 1.3186 5.2104 5.2104 5.2107 5.2107 6.1240 6.1240 6.1242 6.1242 7.1028 7.1028 7.1029 7.1029 7.5142 7.5142 7.5143 7.5143 8.5785 8.5785 8.5785 8.5785 8.8896 8.8896 8.8897 8.8897 11.4458 11.4458 11.4458 11.4458 11.6609 11.6609 11.6610 11.6610 k = 0.4167 0.3570 0.2711 ( 5612 PWs) bands (ev): 0.0606 0.0606 0.0609 0.0609 1.4267 1.4267 1.4269 1.4269 5.1347 5.1347 5.1350 5.1350 6.1947 6.1947 6.1950 6.1950 7.0772 7.0772 7.0773 7.0773 7.5554 7.5554 7.5555 7.5555 8.5586 8.5586 8.5587 8.5587 8.9215 8.9215 8.9216 8.9216 11.4047 11.4047 11.4047 11.4047 11.6328 11.6328 11.6329 11.6329 k = 0.4048 0.3570 0.2711 ( 5616 PWs) bands (ev): -0.0225 -0.0225 -0.0222 -0.0222 1.5363 1.5363 1.5365 1.5365 5.0601 5.0601 5.0604 5.0604 6.2639 6.2639 6.2642 6.2642 7.0529 7.0529 7.0530 7.0530 7.5967 7.5967 7.5968 7.5968 8.5402 8.5402 8.5403 8.5403 8.9544 8.9544 8.9545 8.9545 11.3618 11.3618 11.3619 11.3619 11.5961 11.5961 11.5963 11.5963 k = 0.3929 0.3570 0.2711 ( 5620 PWs) bands (ev): -0.1035 -0.1035 -0.1032 -0.1032 1.6469 1.6469 1.6472 1.6472 4.9868 4.9868 4.9871 4.9871 6.3313 6.3313 6.3316 6.3316 7.0298 7.0298 7.0299 7.0299 7.6378 7.6378 7.6380 7.6380 8.5237 8.5237 8.5238 8.5238 8.9882 8.9882 8.9884 8.9884 11.3172 11.3172 11.3173 11.3173 11.5523 11.5523 11.5525 11.5525 k = 0.3810 0.3570 0.2711 ( 5624 PWs) bands (ev): -0.1823 -0.1823 -0.1821 -0.1821 1.7584 1.7584 1.7587 1.7587 4.9151 4.9151 4.9154 4.9154 6.3969 6.3969 6.3971 6.3971 7.0079 7.0079 7.0080 7.0080 7.6781 7.6781 7.6783 7.6783 8.5095 8.5095 8.5096 8.5096 9.0230 9.0230 9.0231 9.0231 11.2708 11.2708 11.2709 11.2709 11.5029 11.5029 11.5031 11.5031 k = 0.3690 0.3570 0.2711 ( 5624 PWs) bands (ev): -0.2590 -0.2590 -0.2587 -0.2587 1.8706 1.8706 1.8709 1.8709 4.8454 4.8454 4.8456 4.8456 6.4603 6.4603 6.4605 6.4605 6.9870 6.9870 6.9871 6.9871 7.7169 7.7169 7.7171 7.7171 8.4984 8.4984 8.4986 8.4986 9.0585 9.0585 9.0586 9.0586 11.2225 11.2225 11.2225 11.2225 11.4495 11.4495 11.4497 11.4497 k = 0.3571 0.3570 0.2711 ( 5620 PWs) bands (ev): -0.3334 -0.3334 -0.3331 -0.3331 1.9832 1.9832 1.9834 1.9834 4.7780 4.7780 4.7782 4.7782 6.5214 6.5214 6.5216 6.5216 6.9672 6.9672 6.9673 6.9673 7.7534 7.7534 7.7535 7.7535 8.4913 8.4913 8.4914 8.4914 9.0947 9.0947 9.0949 9.0949 11.1721 11.1721 11.1721 11.1721 11.3937 11.3937 11.3939 11.3939 k = 0.3452 0.3570 0.2711 ( 5616 PWs) bands (ev): -0.4056 -0.4056 -0.4054 -0.4054 2.0958 2.0958 2.0961 2.0961 4.7133 4.7133 4.7135 4.7135 6.5800 6.5800 6.5802 6.5802 6.9485 6.9485 6.9486 6.9486 7.7866 7.7866 7.7868 7.7868 8.4889 8.4889 8.4891 8.4891 9.1315 9.1315 9.1316 9.1316 11.1195 11.1195 11.1196 11.1196 11.3368 11.3368 11.3370 11.3370 k = 0.3333 0.3570 0.2711 ( 5620 PWs) bands (ev): -0.4756 -0.4756 -0.4753 -0.4753 2.2081 2.2081 2.2084 2.2084 4.6518 4.6518 4.6520 4.6520 6.6358 6.6358 6.6361 6.6361 6.9307 6.9307 6.9308 6.9308 7.8157 7.8157 7.8158 7.8158 8.4925 8.4925 8.4927 8.4927 9.1685 9.1685 9.1687 9.1687 11.0648 11.0648 11.0648 11.0648 11.2798 11.2798 11.2800 11.2800 k = 0.3214 0.3570 0.2711 ( 5616 PWs) bands (ev): -0.5433 -0.5433 -0.5430 -0.5430 2.3196 2.3196 2.3198 2.3198 4.5940 4.5940 4.5942 4.5942 6.6885 6.6885 6.6888 6.6888 6.9140 6.9140 6.9141 6.9141 7.8398 7.8398 7.8399 7.8399 8.5030 8.5030 8.5031 8.5031 9.2055 9.2055 9.2057 9.2057 11.0079 11.0079 11.0080 11.0080 11.2237 11.2237 11.2239 11.2239 k = 0.3095 0.3570 0.2711 ( 5616 PWs) bands (ev): -0.6087 -0.6087 -0.6084 -0.6084 2.4296 2.4296 2.4298 2.4298 4.5407 4.5407 4.5410 4.5410 6.7377 6.7377 6.7380 6.7380 6.8984 6.8984 6.8985 6.8985 7.8585 7.8585 7.8586 7.8586 8.5209 8.5209 8.5211 8.5211 9.2422 9.2422 9.2424 9.2424 10.9491 10.9491 10.9491 10.9491 11.1692 11.1692 11.1694 11.1694 k = 0.2976 0.3570 0.2711 ( 5616 PWs) bands (ev): -0.6718 -0.6718 -0.6715 -0.6715 2.5373 2.5373 2.5376 2.5376 4.4928 4.4928 4.4930 4.4930 6.7825 6.7825 6.7827 6.7827 6.8845 6.8845 6.8846 6.8846 7.8718 7.8718 7.8720 7.8720 8.5465 8.5465 8.5467 8.5467 9.2780 9.2780 9.2782 9.2782 10.8885 10.8885 10.8885 10.8885 11.1169 11.1169 11.1170 11.1170 k = 0.2857 0.3570 0.2711 ( 5620 PWs) bands (ev): -0.7325 -0.7325 -0.7323 -0.7323 2.6418 2.6418 2.6420 2.6420 4.4511 4.4511 4.4513 4.4513 6.8197 6.8197 6.8200 6.8200 6.8750 6.8750 6.8751 6.8751 7.8804 7.8804 7.8805 7.8805 8.5796 8.5796 8.5797 8.5797 9.3123 9.3123 9.3124 9.3124 10.8267 10.8267 10.8267 10.8267 11.0672 11.0672 11.0674 11.0674 k = 0.2738 0.3570 0.2711 ( 5624 PWs) bands (ev): -0.7909 -0.7909 -0.7907 -0.7907 2.7418 2.7418 2.7420 2.7420 4.4171 4.4171 4.4173 4.4173 6.8361 6.8361 6.8362 6.8362 6.8829 6.8829 6.8831 6.8831 7.8851 7.8851 7.8852 7.8852 8.6193 8.6193 8.6194 8.6194 9.3442 9.3442 9.3444 9.3444 10.7644 10.7644 10.7644 10.7644 11.0205 11.0205 11.0207 11.0207 k = 0.2619 0.3570 0.2711 ( 5624 PWs) bands (ev): -0.8470 -0.8470 -0.8467 -0.8467 2.8357 2.8357 2.8360 2.8360 4.3922 4.3922 4.3924 4.3924 6.8301 6.8301 6.8302 6.8302 6.9092 6.9092 6.9095 6.9095 7.8872 7.8872 7.8873 7.8873 8.6650 8.6650 8.6650 8.6650 9.3728 9.3728 9.3730 9.3730 10.7026 10.7026 10.7026 10.7026 10.9772 10.9772 10.9773 10.9773 k = 0.2500 0.3570 0.2711 ( 5620 PWs) bands (ev): -0.9007 -0.9007 -0.9004 -0.9004 2.9219 2.9219 2.9222 2.9222 4.3781 4.3781 4.3783 4.3783 6.8191 6.8191 6.8192 6.8192 6.9363 6.9363 6.9366 6.9366 7.8880 7.8880 7.8881 7.8881 8.7154 8.7154 8.7155 8.7155 9.3967 9.3967 9.3969 9.3969 10.6426 10.6426 10.6426 10.6426 10.9372 10.9372 10.9374 10.9374 k = 0.2381 0.3570 0.2711 ( 5624 PWs) bands (ev): -0.9520 -0.9520 -0.9517 -0.9517 2.9985 2.9985 2.9987 2.9987 4.3767 4.3767 4.3769 4.3769 6.8072 6.8072 6.8073 6.8073 6.9597 6.9597 6.9600 6.9600 7.8885 7.8885 7.8886 7.8886 8.7699 8.7699 8.7699 8.7699 9.4143 9.4143 9.4145 9.4145 10.5860 10.5860 10.5860 10.5860 10.9010 10.9010 10.9011 10.9011 k = 0.2262 0.3570 0.2711 ( 5628 PWs) bands (ev): -1.0009 -1.0009 -1.0006 -1.0006 3.0637 3.0637 3.0640 3.0640 4.3896 4.3896 4.3898 4.3898 6.7953 6.7953 6.7953 6.7953 6.9784 6.9784 6.9787 6.9787 7.8897 7.8897 7.8899 7.8899 8.8274 8.8274 8.8275 8.8275 9.4236 9.4236 9.4238 9.4238 10.5348 10.5348 10.5348 10.5348 10.8684 10.8684 10.8685 10.8685 k = 0.2143 0.3570 0.2711 ( 5624 PWs) bands (ev): -1.0473 -1.0473 -1.0471 -1.0471 3.1164 3.1164 3.1166 3.1166 4.4181 4.4181 4.4183 4.4183 6.7834 6.7834 6.7835 6.7835 6.9922 6.9922 6.9924 6.9924 7.8923 7.8923 7.8925 7.8925 8.8873 8.8873 8.8873 8.8873 9.4226 9.4226 9.4228 9.4228 10.4910 10.4910 10.4910 10.4910 10.8396 10.8396 10.8397 10.8397 k = 0.2024 0.3570 0.2711 ( 5616 PWs) bands (ev): -1.0913 -1.0913 -1.0911 -1.0911 3.1560 3.1560 3.1563 3.1563 4.4623 4.4623 4.4625 4.4625 6.7718 6.7718 6.7718 6.7718 7.0011 7.0011 7.0013 7.0013 7.8968 7.8968 7.8970 7.8970 8.9488 8.9488 8.9489 8.9489 9.4095 9.4095 9.4097 9.4097 10.4565 10.4565 10.4566 10.4566 10.8147 10.8147 10.8147 10.8147 k = 0.1905 0.3570 0.2711 ( 5620 PWs) bands (ev): -1.1329 -1.1329 -1.1327 -1.1327 3.1832 3.1832 3.1835 3.1835 4.5217 4.5217 4.5219 4.5219 6.7602 6.7602 6.7602 6.7602 7.0053 7.0053 7.0056 7.0056 7.9032 7.9032 7.9034 7.9034 9.0114 9.0114 9.0114 9.0114 9.3831 9.3831 9.3833 9.3833 10.4327 10.4327 10.4328 10.4328 10.7935 10.7935 10.7936 10.7936 k = 0.1786 0.3570 0.2711 ( 5624 PWs) bands (ev): -1.1721 -1.1721 -1.1718 -1.1718 3.1994 3.1994 3.1996 3.1996 4.5945 4.5945 4.5947 4.5947 6.7487 6.7487 6.7487 6.7487 7.0055 7.0055 7.0057 7.0057 7.9116 7.9116 7.9118 7.9118 9.0742 9.0742 9.0743 9.0743 9.3432 9.3432 9.3434 9.3434 10.4199 10.4199 10.4200 10.4200 10.7762 10.7762 10.7762 10.7762 k = 0.1667 0.3570 0.2711 ( 5624 PWs) bands (ev): -1.2087 -1.2087 -1.2084 -1.2084 3.2064 3.2064 3.2066 3.2066 4.6787 4.6787 4.6789 4.6789 6.7371 6.7371 6.7372 6.7372 7.0020 7.0020 7.0022 7.0022 7.9217 7.9217 7.9218 7.9218 9.1363 9.1363 9.1364 9.1364 9.2911 9.2911 9.2913 9.2913 10.4174 10.4174 10.4174 10.4174 10.7625 10.7625 10.7626 10.7626 k = 0.1548 0.3570 0.2711 ( 5616 PWs) bands (ev): -1.2429 -1.2429 -1.2426 -1.2426 3.2063 3.2063 3.2066 3.2066 4.7719 4.7719 4.7720 4.7720 6.7255 6.7255 6.7255 6.7255 6.9956 6.9956 6.9958 6.9958 7.9331 7.9331 7.9333 7.9333 9.1903 9.1903 9.1904 9.1904 9.2355 9.2355 9.2357 9.2357 10.4237 10.4237 10.4238 10.4238 10.7526 10.7526 10.7527 10.7527 k = 0.1429 0.3570 0.2711 ( 5612 PWs) bands (ev): -1.2746 -1.2746 -1.2743 -1.2743 3.2011 3.2011 3.2014 3.2014 4.8717 4.8717 4.8719 4.8719 6.7135 6.7135 6.7136 6.7136 6.9869 6.9869 6.9871 6.9871 7.9454 7.9454 7.9456 7.9456 9.1476 9.1476 9.1479 9.1479 9.2662 9.2662 9.2663 9.2663 10.4368 10.4368 10.4370 10.4370 10.7462 10.7462 10.7463 10.7463 k = 0.1310 0.3570 0.2711 ( 5616 PWs) bands (ev): -1.3038 -1.3038 -1.3035 -1.3035 3.1924 3.1924 3.1926 3.1926 4.9762 4.9762 4.9763 4.9763 6.7012 6.7012 6.7013 6.7013 6.9765 6.9765 6.9767 6.9767 7.9583 7.9583 7.9585 7.9585 9.0694 9.0694 9.0697 9.0697 9.3241 9.3241 9.3242 9.3242 10.4549 10.4549 10.4550 10.4550 10.7432 10.7432 10.7433 10.7433 k = 0.1190 0.3570 0.2711 ( 5604 PWs) bands (ev): -1.3304 -1.3304 -1.3302 -1.3302 3.1814 3.1814 3.1816 3.1816 5.0833 5.0833 5.0834 5.0834 6.6883 6.6883 6.6884 6.6884 6.9652 6.9652 6.9654 6.9654 7.9713 7.9713 7.9715 7.9715 8.9857 8.9857 8.9859 8.9859 9.3808 9.3808 9.3810 9.3810 10.4761 10.4761 10.4762 10.4762 10.7435 10.7435 10.7436 10.7436 k = 0.1071 0.3570 0.2711 ( 5608 PWs) bands (ev): -1.3546 -1.3546 -1.3543 -1.3543 3.1692 3.1692 3.1695 3.1695 5.1912 5.1912 5.1914 5.1914 6.6748 6.6748 6.6748 6.6748 6.9534 6.9534 6.9536 6.9536 7.9840 7.9840 7.9842 7.9842 8.8995 8.8995 8.8998 8.8998 9.4349 9.4349 9.4351 9.4351 10.4986 10.4986 10.4988 10.4988 10.7466 10.7466 10.7467 10.7467 k = 0.0952 0.3570 0.2711 ( 5608 PWs) bands (ev): -1.3762 -1.3762 -1.3760 -1.3760 3.1568 3.1568 3.1570 3.1570 5.2984 5.2984 5.2985 5.2985 6.6603 6.6603 6.6603 6.6603 6.9416 6.9416 6.9418 6.9418 7.9961 7.9961 7.9963 7.9963 8.8134 8.8134 8.8137 8.8137 9.4855 9.4855 9.4857 9.4857 10.5214 10.5214 10.5215 10.5215 10.7524 10.7524 10.7525 10.7525 k = 0.0833 0.3570 0.2711 ( 5624 PWs) bands (ev): -1.3953 -1.3953 -1.3951 -1.3951 3.1446 3.1446 3.1449 3.1449 5.4028 5.4028 5.4030 5.4030 6.6447 6.6447 6.6448 6.6448 6.9303 6.9303 6.9305 6.9305 8.0074 8.0074 8.0076 8.0076 8.7296 8.7296 8.7298 8.7298 9.5319 9.5319 9.5321 9.5321 10.5431 10.5431 10.5432 10.5432 10.7602 10.7602 10.7603 10.7603 k = 0.0714 0.3570 0.2711 ( 5616 PWs) bands (ev): -1.4119 -1.4119 -1.4116 -1.4116 3.1333 3.1333 3.1336 3.1336 5.5027 5.5027 5.5028 5.5028 6.6281 6.6281 6.6281 6.6281 6.9198 6.9198 6.9200 6.9200 8.0175 8.0175 8.0178 8.0178 8.6502 8.6502 8.6505 8.6505 9.5735 9.5735 9.5737 9.5737 10.5632 10.5632 10.5633 10.5633 10.7695 10.7695 10.7697 10.7697 k = 0.0595 0.3570 0.2711 ( 5612 PWs) bands (ev): -1.4259 -1.4259 -1.4257 -1.4257 3.1232 3.1232 3.1235 3.1235 5.5958 5.5958 5.5959 5.5959 6.6106 6.6106 6.6106 6.6106 6.9105 6.9105 6.9107 6.9107 8.0264 8.0264 8.0267 8.0267 8.5776 8.5776 8.5779 8.5779 9.6097 9.6097 9.6099 9.6099 10.5808 10.5808 10.5809 10.5809 10.7795 10.7795 10.7797 10.7797 k = 0.0476 0.3570 0.2711 ( 5620 PWs) bands (ev): -1.4374 -1.4374 -1.4372 -1.4372 3.1146 3.1146 3.1148 3.1148 5.6795 5.6795 5.6796 5.6796 6.5926 6.5926 6.5927 6.5927 6.9025 6.9025 6.9027 6.9027 8.0339 8.0339 8.0341 8.0341 8.5141 8.5141 8.5143 8.5143 9.6400 9.6400 9.6402 9.6402 10.5957 10.5957 10.5958 10.5958 10.7895 10.7895 10.7897 10.7897 k = 0.0357 0.3570 0.2711 ( 5608 PWs) bands (ev): -1.4464 -1.4464 -1.4461 -1.4461 3.1077 3.1077 3.1079 3.1079 5.7507 5.7507 5.7508 5.7508 6.5753 6.5753 6.5753 6.5753 6.8961 6.8961 6.8963 6.8963 8.0398 8.0398 8.0401 8.0401 8.4618 8.4618 8.4620 8.4620 9.6640 9.6640 9.6642 9.6642 10.6076 10.6076 10.6077 10.6077 10.7985 10.7985 10.7987 10.7987 k = 0.0238 0.3570 0.2711 ( 5616 PWs) bands (ev): -1.4528 -1.4528 -1.4525 -1.4525 3.1026 3.1026 3.1029 3.1029 5.8057 5.8057 5.8059 5.8059 6.5603 6.5603 6.5603 6.5603 6.8915 6.8915 6.8917 6.8917 8.0441 8.0441 8.0443 8.0443 8.4227 8.4227 8.4230 8.4230 9.6813 9.6813 9.6816 9.6816 10.6161 10.6161 10.6162 10.6162 10.8057 10.8057 10.8059 10.8059 k = 0.0119 0.3570 0.2711 ( 5612 PWs) bands (ev): -1.4566 -1.4566 -1.4563 -1.4563 3.0995 3.0995 3.0998 3.0998 5.8409 5.8409 5.8410 5.8410 6.5499 6.5499 6.5499 6.5499 6.8886 6.8886 6.8888 6.8888 8.0467 8.0467 8.0469 8.0469 8.3986 8.3986 8.3988 8.3988 9.6919 9.6919 9.6921 9.6921 10.6213 10.6213 10.6214 10.6214 10.8104 10.8104 10.8106 10.8106 k = 0.0000 0.3570 0.2711 ( 5612 PWs) bands (ev): -1.4579 -1.4579 -1.4576 -1.4576 3.0985 3.0985 3.0988 3.0988 5.8530 5.8530 5.8532 5.8532 6.5461 6.5461 6.5461 6.5461 6.8877 6.8877 6.8879 6.8879 8.0475 8.0475 8.0478 8.0478 8.3904 8.3904 8.3907 8.3907 9.6954 9.6954 9.6957 9.6957 10.6230 10.6230 10.6231 10.6231 10.8120 10.8120 10.8122 10.8122 k = 0.0000 0.3570 0.2711 ( 5612 PWs) bands (ev): -1.4579 -1.4579 -1.4576 -1.4576 3.0985 3.0985 3.0988 3.0988 5.8530 5.8530 5.8532 5.8532 6.5461 6.5461 6.5461 6.5461 6.8877 6.8877 6.8879 6.8879 8.0475 8.0475 8.0478 8.0478 8.3904 8.3904 8.3907 8.3907 9.6954 9.6954 9.6957 9.6957 10.6230 10.6230 10.6231 10.6231 10.8120 10.8120 10.8122 10.8122 k = 0.0000 0.3451 0.2711 ( 5608 PWs) bands (ev): -1.4585 -1.4585 -1.4582 -1.4582 3.1004 3.1004 3.1007 3.1007 5.8533 5.8533 5.8534 5.8534 6.5341 6.5341 6.5341 6.5341 6.8976 6.8976 6.8978 6.8978 8.0471 8.0471 8.0474 8.0474 8.3920 8.3920 8.3923 8.3923 9.6966 9.6966 9.6968 9.6968 10.6247 10.6247 10.6248 10.6248 10.8076 10.8076 10.8078 10.8078 k = 0.0000 0.3332 0.2711 ( 5608 PWs) bands (ev): -1.4603 -1.4603 -1.4600 -1.4600 3.1061 3.1061 3.1063 3.1063 5.8541 5.8541 5.8542 5.8542 6.5017 6.5017 6.5018 6.5018 6.9239 6.9239 6.9241 6.9241 8.0460 8.0460 8.0463 8.0463 8.3966 8.3966 8.3969 8.3969 9.7001 9.7001 9.7003 9.7003 10.6298 10.6298 10.6299 10.6299 10.7946 10.7946 10.7949 10.7949 k = 0.0000 0.3213 0.2711 ( 5604 PWs) bands (ev): -1.4632 -1.4632 -1.4630 -1.4630 3.1154 3.1154 3.1157 3.1157 5.8553 5.8553 5.8555 5.8555 6.4557 6.4557 6.4558 6.4558 6.9598 6.9598 6.9600 6.9600 8.0448 8.0448 8.0450 8.0450 8.4037 8.4037 8.4040 8.4040 9.7058 9.7058 9.7061 9.7061 10.6377 10.6377 10.6378 10.6378 10.7745 10.7745 10.7747 10.7747 k = 0.0000 0.3094 0.2711 ( 5602 PWs) bands (ev): -1.4673 -1.4673 -1.4670 -1.4670 3.1285 3.1285 3.1288 3.1288 5.8571 5.8571 5.8572 5.8572 6.4013 6.4013 6.4014 6.4014 6.9998 6.9998 7.0000 7.0000 8.0440 8.0440 8.0443 8.0443 8.4125 8.4125 8.4127 8.4127 9.7136 9.7136 9.7139 9.7139 10.6471 10.6471 10.6471 10.6471 10.7497 10.7497 10.7499 10.7499 k = 0.0000 0.2975 0.2711 ( 5606 PWs) bands (ev): -1.4725 -1.4725 -1.4722 -1.4722 3.1452 3.1452 3.1454 3.1454 5.8594 5.8594 5.8595 5.8595 6.3418 6.3418 6.3419 6.3419 7.0407 7.0407 7.0409 7.0409 8.0445 8.0445 8.0448 8.0448 8.4220 8.4220 8.4222 8.4222 9.7232 9.7232 9.7235 9.7235 10.6521 10.6521 10.6522 10.6522 10.7275 10.7275 10.7276 10.7276 k = 0.0000 0.2856 0.2711 ( 5610 PWs) bands (ev): -1.4787 -1.4787 -1.4784 -1.4784 3.1653 3.1653 3.1656 3.1656 5.8621 5.8621 5.8622 5.8622 6.2790 6.2790 6.2790 6.2790 7.0806 7.0806 7.0807 7.0807 8.0469 8.0469 8.0471 8.0471 8.4316 8.4316 8.4318 8.4318 9.7344 9.7344 9.7347 9.7347 10.6388 10.6388 10.6389 10.6389 10.7230 10.7230 10.7230 10.7230 k = 0.0000 0.2737 0.2711 ( 5610 PWs) bands (ev): -1.4857 -1.4857 -1.4855 -1.4855 3.1889 3.1889 3.1891 3.1891 5.8653 5.8653 5.8654 5.8654 6.2139 6.2139 6.2140 6.2140 7.1182 7.1182 7.1183 7.1183 8.0516 8.0516 8.0518 8.0518 8.4406 8.4406 8.4408 8.4408 9.7465 9.7465 9.7468 9.7468 10.6068 10.6068 10.6070 10.6070 10.7379 10.7379 10.7379 10.7379 k = 0.0000 0.2618 0.2711 ( 5602 PWs) bands (ev): -1.4937 -1.4937 -1.4934 -1.4934 3.2157 3.2157 3.2159 3.2159 5.8689 5.8689 5.8690 5.8690 6.1475 6.1475 6.1476 6.1476 7.1529 7.1529 7.1531 7.1531 8.0586 8.0586 8.0588 8.0588 8.4488 8.4488 8.4490 8.4490 9.7591 9.7591 9.7594 9.7594 10.5680 10.5680 10.5682 10.5682 10.7611 10.7611 10.7611 10.7611 k = 0.0000 0.2499 0.2711 ( 5610 PWs) bands (ev): -1.5023 -1.5023 -1.5021 -1.5021 3.2456 3.2456 3.2458 3.2458 5.8728 5.8728 5.8730 5.8730 6.0802 6.0802 6.0802 6.0802 7.1843 7.1843 7.1845 7.1845 8.0675 8.0675 8.0677 8.0677 8.4563 8.4563 8.4565 8.4565 9.7712 9.7712 9.7715 9.7715 10.5283 10.5283 10.5285 10.5285 10.7868 10.7868 10.7869 10.7869 k = 0.0000 0.2380 0.2711 ( 5618 PWs) bands (ev): -1.5116 -1.5116 -1.5114 -1.5114 3.2784 3.2784 3.2787 3.2787 5.8772 5.8772 5.8773 5.8773 6.0123 6.0123 6.0124 6.0124 7.2124 7.2124 7.2125 7.2125 8.0778 8.0778 8.0780 8.0780 8.4636 8.4636 8.4638 8.4638 9.7818 9.7818 9.7821 9.7821 10.4907 10.4907 10.4910 10.4910 10.8113 10.8113 10.8114 10.8114 k = 0.0000 0.2261 0.2711 ( 5624 PWs) bands (ev): -1.5214 -1.5214 -1.5211 -1.5211 3.3140 3.3140 3.3143 3.3143 5.8816 5.8816 5.8817 5.8817 5.9444 5.9444 5.9445 5.9445 7.2371 7.2371 7.2373 7.2373 8.0879 8.0879 8.0882 8.0882 8.4717 8.4717 8.4719 8.4719 9.7897 9.7897 9.7900 9.7900 10.4578 10.4578 10.4581 10.4581 10.8306 10.8306 10.8307 10.8307 k = 0.0000 0.2142 0.2711 ( 5616 PWs) bands (ev): -1.5316 -1.5316 -1.5313 -1.5313 3.3521 3.3521 3.3524 3.3524 5.8741 5.8741 5.8742 5.8742 5.8887 5.8887 5.8888 5.8888 7.2588 7.2588 7.2589 7.2589 8.0965 8.0965 8.0967 8.0967 8.4820 8.4820 8.4822 8.4822 9.7933 9.7933 9.7936 9.7936 10.4317 10.4317 10.4320 10.4320 10.8408 10.8408 10.8409 10.8409 k = 0.0000 0.2023 0.2711 ( 5618 PWs) bands (ev): -1.5421 -1.5421 -1.5418 -1.5418 3.3926 3.3926 3.3928 3.3928 5.8077 5.8077 5.8078 5.8078 5.8924 5.8924 5.8925 5.8925 7.2778 7.2778 7.2779 7.2779 8.1015 8.1015 8.1018 8.1018 8.4960 8.4960 8.4961 8.4961 9.7914 9.7914 9.7917 9.7917 10.4144 10.4144 10.4146 10.4146 10.8394 10.8394 10.8394 10.8394 k = 0.0000 0.1904 0.2711 ( 5608 PWs) bands (ev): -1.5527 -1.5527 -1.5524 -1.5524 3.4352 3.4352 3.4354 3.4354 5.7404 5.7404 5.7405 5.7405 5.8977 5.8977 5.8978 5.8978 7.2945 7.2945 7.2947 7.2947 8.1016 8.1016 8.1018 8.1018 8.5148 8.5148 8.5150 8.5150 9.7832 9.7832 9.7835 9.7835 10.4071 10.4071 10.4072 10.4072 10.8267 10.8267 10.8268 10.8268 k = 0.0000 0.1785 0.2711 ( 5596 PWs) bands (ev): -1.5633 -1.5633 -1.5631 -1.5631 3.4796 3.4796 3.4798 3.4798 5.6736 5.6736 5.6737 5.6737 5.9032 5.9032 5.9033 5.9033 7.3095 7.3095 7.3097 7.3097 8.0958 8.0958 8.0960 8.0960 8.5393 8.5393 8.5395 8.5395 9.7685 9.7685 9.7688 9.7688 10.4102 10.4102 10.4103 10.4103 10.8054 10.8054 10.8055 10.8055 k = 0.0000 0.1666 0.2711 ( 5594 PWs) bands (ev): -1.5739 -1.5739 -1.5736 -1.5736 3.5256 3.5256 3.5259 3.5259 5.6075 5.6075 5.6076 5.6076 5.9087 5.9087 5.9088 5.9088 7.3231 7.3231 7.3233 7.3233 8.0840 8.0840 8.0842 8.0842 8.5693 8.5693 8.5694 8.5694 9.7481 9.7481 9.7483 9.7483 10.4233 10.4233 10.4234 10.4234 10.7782 10.7782 10.7783 10.7783 k = 0.0000 0.1547 0.2711 ( 5592 PWs) bands (ev): -1.5843 -1.5843 -1.5840 -1.5840 3.5729 3.5729 3.5731 3.5731 5.5424 5.5424 5.5425 5.5425 5.9143 5.9143 5.9144 5.9144 7.3357 7.3357 7.3359 7.3359 8.0667 8.0667 8.0670 8.0670 8.6041 8.6041 8.6042 8.6042 9.7231 9.7231 9.7233 9.7233 10.4452 10.4452 10.4453 10.4453 10.7477 10.7477 10.7478 10.7478 k = 0.0000 0.1428 0.2711 ( 5592 PWs) bands (ev): -1.5943 -1.5943 -1.5941 -1.5941 3.6212 3.6212 3.6214 3.6214 5.4785 5.4785 5.4786 5.4786 5.9199 5.9199 5.9200 5.9200 7.3478 7.3478 7.3479 7.3479 8.0450 8.0450 8.0453 8.0453 8.6426 8.6426 8.6426 8.6426 9.6951 9.6951 9.6952 9.6952 10.4744 10.4744 10.4745 10.4745 10.7157 10.7157 10.7158 10.7158 k = 0.0000 0.1309 0.2711 ( 5598 PWs) bands (ev): -1.6040 -1.6040 -1.6038 -1.6038 3.6700 3.6700 3.6703 3.6703 5.4159 5.4159 5.4160 5.4160 5.9253 5.9253 5.9254 5.9254 7.3594 7.3594 7.3596 7.3596 8.0199 8.0199 8.0202 8.0202 8.6835 8.6835 8.6836 8.6836 9.6654 9.6654 9.6656 9.6656 10.5092 10.5092 10.5092 10.5092 10.6837 10.6837 10.6838 10.6838 k = 0.0000 0.1190 0.2711 ( 5598 PWs) bands (ev): -1.6132 -1.6132 -1.6129 -1.6129 3.7191 3.7191 3.7193 3.7193 5.3549 5.3549 5.3550 5.3550 5.9305 5.9305 5.9306 5.9306 7.3709 7.3709 7.3711 7.3711 7.9925 7.9925 7.9928 7.9928 8.7258 8.7258 8.7258 8.7258 9.6354 9.6354 9.6355 9.6355 10.5471 10.5471 10.5471 10.5471 10.6535 10.6535 10.6536 10.6536 k = 0.0000 0.1071 0.2711 ( 5594 PWs) bands (ev): -1.6218 -1.6218 -1.6215 -1.6215 3.7679 3.7679 3.7681 3.7681 5.2960 5.2960 5.2961 5.2961 5.9355 5.9355 5.9356 5.9356 7.3825 7.3825 7.3826 7.3826 7.9637 7.9637 7.9640 7.9640 8.7682 8.7682 8.7683 8.7683 9.6061 9.6061 9.6062 9.6062 10.5795 10.5795 10.5796 10.5796 10.6331 10.6331 10.6332 10.6332 k = 0.0000 0.0952 0.2711 ( 5586 PWs) bands (ev): -1.6297 -1.6297 -1.6294 -1.6294 3.8158 3.8158 3.8160 3.8160 5.2394 5.2394 5.2395 5.2395 5.9402 5.9402 5.9403 5.9403 7.3941 7.3941 7.3942 7.3942 7.9344 7.9344 7.9346 7.9346 8.8098 8.8098 8.8098 8.8098 9.5782 9.5782 9.5783 9.5783 10.5754 10.5754 10.5755 10.5755 10.6529 10.6529 10.6529 10.6529 k = 0.0000 0.0833 0.2711 ( 5586 PWs) bands (ev): -1.6368 -1.6368 -1.6365 -1.6365 3.8622 3.8622 3.8624 3.8624 5.1858 5.1858 5.1859 5.1859 5.9445 5.9445 5.9446 5.9446 7.4057 7.4057 7.4059 7.4059 7.9054 7.9054 7.9057 7.9057 8.8495 8.8495 8.8495 8.8495 9.5524 9.5524 9.5525 9.5525 10.5517 10.5517 10.5518 10.5518 10.6952 10.6952 10.6953 10.6953 k = 0.0000 0.0714 0.2711 ( 5592 PWs) bands (ev): -1.6431 -1.6431 -1.6429 -1.6429 3.9062 3.9062 3.9064 3.9064 5.1358 5.1358 5.1359 5.1359 5.9484 5.9484 5.9485 5.9485 7.4172 7.4172 7.4174 7.4174 7.8776 7.8776 7.8779 7.8779 8.8864 8.8864 8.8864 8.8864 9.5292 9.5292 9.5293 9.5293 10.5271 10.5271 10.5272 10.5272 10.7404 10.7404 10.7405 10.7405 k = 0.0000 0.0595 0.2711 ( 5600 PWs) bands (ev): -1.6486 -1.6486 -1.6483 -1.6483 3.9469 3.9469 3.9471 3.9471 5.0902 5.0902 5.0904 5.0904 5.9518 5.9518 5.9519 5.9519 7.4285 7.4285 7.4286 7.4286 7.8517 7.8517 7.8520 7.8520 8.9195 8.9195 8.9195 8.9195 9.5090 9.5090 9.5091 9.5091 10.5045 10.5045 10.5046 10.5047 10.7846 10.7846 10.7846 10.7846 k = 0.0000 0.0476 0.2711 ( 5596 PWs) bands (ev): -1.6531 -1.6531 -1.6529 -1.6529 3.9830 3.9830 3.9832 3.9832 5.0503 5.0503 5.0504 5.0504 5.9546 5.9546 5.9547 5.9547 7.4390 7.4390 7.4391 7.4391 7.8286 7.8286 7.8289 7.8289 8.9480 8.9480 8.9480 8.9480 9.4921 9.4921 9.4922 9.4922 10.4850 10.4850 10.4851 10.4851 10.8254 10.8254 10.8255 10.8255 k = 0.0000 0.0357 0.2711 ( 5600 PWs) bands (ev): -1.6567 -1.6567 -1.6564 -1.6564 4.0134 4.0134 4.0136 4.0136 5.0171 5.0171 5.0172 5.0172 5.9569 5.9569 5.9569 5.9569 7.4482 7.4482 7.4484 7.4484 7.8092 7.8092 7.8095 7.8095 8.9712 8.9712 8.9712 8.9712 9.4787 9.4787 9.4788 9.4788 10.4691 10.4691 10.4692 10.4692 10.8607 10.8607 10.8608 10.8608 k = 0.0000 0.0238 0.2711 ( 5598 PWs) bands (ev): -1.6593 -1.6593 -1.6590 -1.6590 4.0364 4.0364 4.0366 4.0366 4.9920 4.9920 4.9921 4.9921 5.9585 5.9585 5.9586 5.9586 7.4556 7.4556 7.4557 7.4557 7.7944 7.7944 7.7947 7.7947 8.9883 8.9883 8.9883 8.9883 9.4691 9.4691 9.4691 9.4691 10.4574 10.4574 10.4575 10.4575 10.8882 10.8882 10.8883 10.8883 k = 0.0000 0.0119 0.2711 ( 5590 PWs) bands (ev): -1.6608 -1.6608 -1.6606 -1.6606 4.0509 4.0509 4.0511 4.0511 4.9764 4.9764 4.9765 4.9765 5.9595 5.9595 5.9596 5.9596 7.4604 7.4604 7.4605 7.4605 7.7851 7.7851 7.7854 7.7854 8.9987 8.9987 8.9987 8.9987 9.4632 9.4632 9.4633 9.4633 10.4502 10.4502 10.4503 10.4503 10.9058 10.9058 10.9059 10.9059 k = 0.0000 0.0000 0.2711 ( 5586 PWs) bands (ev): -1.6613 -1.6613 -1.6611 -1.6611 4.0559 4.0559 4.0561 4.0561 4.9711 4.9711 4.9712 4.9712 5.9598 5.9598 5.9599 5.9599 7.4620 7.4620 7.4622 7.4622 7.7819 7.7819 7.7822 7.7822 9.0023 9.0023 9.0023 9.0023 9.4613 9.4613 9.4613 9.4613 10.4477 10.4477 10.4479 10.4479 10.9118 10.9118 10.9120 10.9120 k = 0.0000 0.3570-0.0000 ( 5550 PWs) bands (ev): -1.4976 -1.4976 -1.4973 -1.4973 3.5487 3.5487 3.5490 3.5490 5.4152 5.4152 5.4152 5.4152 5.8228 5.8228 5.8229 5.8229 7.4715 7.4715 7.4718 7.4718 7.7919 7.7919 7.7920 7.7920 8.7032 8.7032 8.7034 8.7034 10.2240 10.2240 10.2241 10.2241 10.4438 10.4438 10.4441 10.4441 11.0517 11.0517 11.0520 11.0520 k = 0.0000 0.3570 0.0118 ( 5562 PWs) bands (ev): -1.4974 -1.4974 -1.4971 -1.4971 3.5459 3.5459 3.5462 3.5462 5.4196 5.4196 5.4196 5.4196 5.8230 5.8230 5.8231 5.8231 7.4712 7.4712 7.4714 7.4714 7.7917 7.7917 7.7918 7.7918 8.7023 8.7023 8.7025 8.7025 10.2174 10.2174 10.2175 10.2175 10.4494 10.4494 10.4496 10.4496 11.0474 11.0474 11.0477 11.0477 k = 0.0000 0.3570 0.0236 ( 5566 PWs) bands (ev): -1.4969 -1.4969 -1.4966 -1.4966 3.5377 3.5377 3.5380 3.5380 5.4326 5.4326 5.4327 5.4327 5.8234 5.8234 5.8235 5.8235 7.4702 7.4702 7.4704 7.4704 7.7914 7.7914 7.7915 7.7915 8.6996 8.6996 8.6997 8.6997 10.1996 10.1996 10.1996 10.1996 10.4643 10.4643 10.4645 10.4645 11.0350 11.0350 11.0353 11.0353 k = 0.0000 0.3570 0.0354 ( 5574 PWs) bands (ev): -1.4960 -1.4960 -1.4957 -1.4957 3.5245 3.5245 3.5248 3.5248 5.4541 5.4541 5.4541 5.4541 5.8241 5.8241 5.8242 5.8242 7.4683 7.4683 7.4685 7.4685 7.7912 7.7912 7.7913 7.7913 8.6950 8.6950 8.6951 8.6951 10.1739 10.1739 10.1739 10.1739 10.4852 10.4852 10.4853 10.4853 11.0155 11.0155 11.0158 11.0158 k = 0.0000 0.3570 0.0471 ( 5566 PWs) bands (ev): -1.4948 -1.4948 -1.4945 -1.4945 3.5067 3.5067 3.5070 3.5070 5.4833 5.4833 5.4834 5.4834 5.8250 5.8250 5.8251 5.8251 7.4650 7.4650 7.4652 7.4652 7.7913 7.7913 7.7914 7.7914 8.6885 8.6885 8.6887 8.6887 10.1435 10.1435 10.1435 10.1435 10.5090 10.5090 10.5091 10.5091 10.9903 10.9903 10.9905 10.9905 k = 0.0000 0.3570 0.0589 ( 5568 PWs) bands (ev): -1.4932 -1.4932 -1.4930 -1.4930 3.4849 3.4849 3.4852 3.4852 5.5198 5.5198 5.5198 5.5198 5.8262 5.8262 5.8263 5.8263 7.4598 7.4598 7.4600 7.4600 7.7923 7.7923 7.7924 7.7924 8.6803 8.6803 8.6805 8.6805 10.1103 10.1103 10.1103 10.1103 10.5339 10.5339 10.5340 10.5340 10.9610 10.9610 10.9613 10.9613 k = 0.0000 0.3570 0.0707 ( 5572 PWs) bands (ev): -1.4914 -1.4914 -1.4911 -1.4911 3.4599 3.4599 3.4602 3.4602 5.5627 5.5627 5.5627 5.5627 5.8276 5.8276 5.8277 5.8277 7.4521 7.4521 7.4523 7.4523 7.7947 7.7947 7.7948 7.7948 8.6702 8.6702 8.6704 8.6704 10.0756 10.0756 10.0757 10.0757 10.5590 10.5590 10.5590 10.5590 10.9294 10.9294 10.9297 10.9297 k = 0.0000 0.3570 0.0825 ( 5572 PWs) bands (ev): -1.4893 -1.4893 -1.4891 -1.4891 3.4324 3.4324 3.4327 3.4327 5.6112 5.6112 5.6113 5.6113 5.8292 5.8292 5.8293 5.8293 7.4413 7.4413 7.4415 7.4415 7.7991 7.7991 7.7992 7.7992 8.6583 8.6583 8.6585 8.6585 10.0404 10.0404 10.0405 10.0405 10.5834 10.5834 10.5834 10.5834 10.8969 10.8969 10.8971 10.8971 k = 0.0000 0.3570 0.0943 ( 5588 PWs) bands (ev): -1.4870 -1.4870 -1.4868 -1.4868 3.4032 3.4032 3.4034 3.4034 5.6647 5.6647 5.6647 5.6647 5.8310 5.8310 5.8311 5.8311 7.4268 7.4268 7.4270 7.4270 7.8058 7.8058 7.8058 7.8058 8.6448 8.6448 8.6449 8.6449 10.0052 10.0052 10.0053 10.0053 10.6067 10.6067 10.6067 10.6067 10.8648 10.8648 10.8650 10.8650 k = 0.0000 0.3570 0.1061 ( 5588 PWs) bands (ev): -1.4846 -1.4846 -1.4843 -1.4843 3.3728 3.3728 3.3731 3.3731 5.7223 5.7223 5.7223 5.7223 5.8329 5.8329 5.8330 5.8330 7.4083 7.4083 7.4085 7.4085 7.8151 7.8151 7.8151 7.8151 8.6295 8.6295 8.6297 8.6297 9.9705 9.9705 9.9707 9.9707 10.6285 10.6285 10.6286 10.6286 10.8342 10.8342 10.8343 10.8343 k = 0.0000 0.3570 0.1179 ( 5586 PWs) bands (ev): -1.4820 -1.4820 -1.4817 -1.4817 3.3421 3.3421 3.3424 3.3424 5.7831 5.7831 5.7832 5.7832 5.8351 5.8351 5.8352 5.8352 7.3856 7.3856 7.3858 7.3858 7.8270 7.8270 7.8271 7.8271 8.6128 8.6128 8.6129 8.6129 9.9368 9.9368 9.9370 9.9370 10.6485 10.6485 10.6486 10.6486 10.8061 10.8061 10.8062 10.8062 k = 0.0000 0.3570 0.1297 ( 5578 PWs) bands (ev): -1.4793 -1.4793 -1.4790 -1.4790 3.3115 3.3115 3.3118 3.3118 5.8349 5.8349 5.8350 5.8350 5.8493 5.8493 5.8494 5.8494 7.3586 7.3586 7.3587 7.3587 7.8416 7.8416 7.8417 7.8417 8.5946 8.5946 8.5948 8.5948 9.9043 9.9043 9.9045 9.9045 10.6657 10.6657 10.6658 10.6658 10.7817 10.7817 10.7818 10.7818 k = 0.0000 0.3570 0.1414 ( 5578 PWs) bands (ev): -1.4766 -1.4766 -1.4763 -1.4763 3.2816 3.2816 3.2819 3.2819 5.8385 5.8385 5.8386 5.8386 5.9138 5.9138 5.9139 5.9139 7.3274 7.3274 7.3275 7.3275 7.8585 7.8585 7.8586 7.8586 8.5753 8.5753 8.5755 8.5755 9.8734 9.8734 9.8736 9.8736 10.6785 10.6785 10.6786 10.6786 10.7631 10.7631 10.7632 10.7632 k = 0.0000 0.3570 0.1532 ( 5586 PWs) bands (ev): -1.4739 -1.4739 -1.4736 -1.4736 3.2529 3.2529 3.2532 3.2532 5.8407 5.8407 5.8408 5.8408 5.9813 5.9813 5.9814 5.9814 7.2922 7.2922 7.2924 7.2924 7.8774 7.8774 7.8775 7.8775 8.5550 8.5550 8.5551 8.5551 9.8444 9.8444 9.8446 9.8446 10.6836 10.6836 10.6836 10.6836 10.7536 10.7536 10.7536 10.7536 k = 0.0000 0.3570 0.1650 ( 5596 PWs) bands (ev): -1.4713 -1.4713 -1.4710 -1.4710 3.2258 3.2258 3.2261 3.2261 5.8427 5.8427 5.8428 5.8428 6.0499 6.0499 6.0500 6.0500 7.2534 7.2534 7.2536 7.2536 7.8979 7.8979 7.8981 7.8981 8.5339 8.5339 8.5341 8.5341 9.8175 9.8175 9.8177 9.8177 10.6794 10.6794 10.6794 10.6794 10.7546 10.7546 10.7547 10.7547 k = 0.0000 0.3570 0.1768 ( 5606 PWs) bands (ev): -1.4688 -1.4688 -1.4685 -1.4685 3.2006 3.2006 3.2009 3.2009 5.8447 5.8447 5.8448 5.8448 6.1190 6.1190 6.1191 6.1191 7.2113 7.2113 7.2114 7.2114 7.9195 7.9195 7.9197 7.9197 8.5124 8.5124 8.5126 8.5126 9.7928 9.7928 9.7930 9.7930 10.6699 10.6699 10.6699 10.6699 10.7622 10.7622 10.7623 10.7623 k = 0.0000 0.3570 0.1886 ( 5600 PWs) bands (ev): -1.4664 -1.4664 -1.4662 -1.4662 3.1777 3.1777 3.1780 3.1780 5.8465 5.8465 5.8466 5.8466 6.1880 6.1880 6.1881 6.1881 7.1663 7.1663 7.1665 7.1665 7.9417 7.9417 7.9419 7.9419 8.4908 8.4908 8.4910 8.4910 9.7706 9.7706 9.7709 9.7709 10.6593 10.6593 10.6594 10.6594 10.7718 10.7718 10.7720 10.7720 k = 0.0000 0.3570 0.2004 ( 5604 PWs) bands (ev): -1.4643 -1.4643 -1.4640 -1.4640 3.1574 3.1574 3.1576 3.1576 5.8481 5.8481 5.8482 5.8482 6.2562 6.2562 6.2563 6.2563 7.1191 7.1191 7.1192 7.1192 7.9638 7.9638 7.9640 7.9640 8.4696 8.4696 8.4698 8.4698 9.7511 9.7511 9.7513 9.7513 10.6495 10.6495 10.6496 10.6496 10.7815 10.7815 10.7817 10.7817 k = 0.0000 0.3570 0.2122 ( 5608 PWs) bands (ev): -1.4624 -1.4624 -1.4621 -1.4621 3.1398 3.1398 3.1400 3.1400 5.8496 5.8496 5.8497 5.8497 6.3228 6.3228 6.3229 6.3229 7.0703 7.0703 7.0704 7.0704 7.9852 7.9852 7.9854 7.9854 8.4492 8.4492 8.4494 8.4494 9.7343 9.7343 9.7345 9.7345 10.6412 10.6412 10.6413 10.6413 10.7904 10.7904 10.7906 10.7906 k = 0.0000 0.3570 0.2239 ( 5604 PWs) bands (ev): -1.4608 -1.4608 -1.4606 -1.4606 3.1251 3.1251 3.1254 3.1254 5.8508 5.8508 5.8509 5.8509 6.3866 6.3866 6.3866 6.3866 7.0212 7.0212 7.0213 7.0213 8.0050 8.0050 8.0052 8.0052 8.4305 8.4305 8.4307 8.4307 9.7204 9.7204 9.7207 9.7207 10.6345 10.6345 10.6346 10.6346 10.7980 10.7980 10.7982 10.7982 k = 0.0000 0.3570 0.2357 ( 5610 PWs) bands (ev): -1.4595 -1.4595 -1.4593 -1.4593 3.1136 3.1136 3.1138 3.1138 5.8518 5.8518 5.8519 5.8519 6.4455 6.4455 6.4455 6.4455 6.9736 6.9736 6.9738 6.9738 8.0223 8.0223 8.0225 8.0225 8.4143 8.4143 8.4145 8.4145 9.7095 9.7095 9.7098 9.7098 10.6294 10.6294 10.6295 10.6295 10.8040 10.8040 10.8042 10.8042 k = 0.0000 0.3570 0.2475 ( 5608 PWs) bands (ev): -1.4586 -1.4586 -1.4584 -1.4584 3.1052 3.1052 3.1055 3.1055 5.8525 5.8525 5.8526 5.8526 6.4961 6.4961 6.4962 6.4962 6.9311 6.9311 6.9313 6.9313 8.0358 8.0358 8.0360 8.0360 8.4015 8.4015 8.4017 8.4017 9.7017 9.7017 9.7020 9.7020 10.6258 10.6258 10.6259 10.6259 10.8084 10.8084 10.8086 10.8086 k = 0.0000 0.3570 0.2593 ( 5612 PWs) bands (ev): -1.4581 -1.4581 -1.4578 -1.4578 3.1002 3.1002 3.1005 3.1005 5.8529 5.8529 5.8530 5.8530 6.5324 6.5324 6.5325 6.5325 6.8997 6.8997 6.8999 6.8999 8.0445 8.0445 8.0448 8.0448 8.3932 8.3932 8.3935 8.3935 9.6970 9.6970 9.6972 9.6972 10.6237 10.6237 10.6238 10.6238 10.8111 10.8111 10.8113 10.8113 k = 0.0000 0.3570 0.2711 ( 5612 PWs) bands (ev): -1.4579 -1.4579 -1.4576 -1.4576 3.0985 3.0985 3.0988 3.0988 5.8530 5.8530 5.8532 5.8532 6.5461 6.5461 6.5461 6.5461 6.8877 6.8877 6.8879 6.8879 8.0475 8.0475 8.0478 8.0478 8.3904 8.3904 8.3907 8.3907 9.6954 9.6954 9.6957 9.6957 10.6230 10.6230 10.6231 10.6231 10.8120 10.8120 10.8122 10.8122 k = 0.5000-0.0000 0.2711 ( 5640 PWs) bands (ev): 0.5877 0.5877 0.5877 0.5877 0.5891 0.5891 0.5891 0.5891 6.2585 6.2585 6.2585 6.2585 6.2700 6.2700 6.2700 6.2700 6.7149 6.7149 6.7149 6.7149 6.7318 6.7318 6.7318 6.7318 8.5921 8.5921 8.5921 8.5921 8.6218 8.6218 8.6218 8.6218 12.6565 12.6565 12.6565 12.6565 12.6680 12.6680 12.6680 12.6680 k = 0.5000-0.0000 0.2593 ( 5636 PWs) bands (ev): 0.5710 0.5710 0.5710 0.5710 0.6059 0.6059 0.6059 0.6059 6.2529 6.2529 6.2529 6.2529 6.2752 6.2752 6.2752 6.2752 6.6886 6.6886 6.6886 6.6886 6.7591 6.7591 6.7591 6.7591 8.5855 8.5855 8.5855 8.5855 8.6290 8.6290 8.6290 8.6290 12.6317 12.6317 12.6317 12.6317 12.6860 12.6860 12.6860 12.6860 k = 0.5000-0.0000 0.2475 ( 5640 PWs) bands (ev): 0.5537 0.5537 0.5537 0.5537 0.6234 0.6234 0.6234 0.6234 6.2436 6.2436 6.2436 6.2436 6.2832 6.2832 6.2832 6.2832 6.6566 6.6566 6.6566 6.6566 6.7939 6.7939 6.7939 6.7939 8.5732 8.5732 8.5732 8.5732 8.6433 8.6433 8.6433 8.6433 12.5967 12.5967 12.5967 12.5967 12.7006 12.7006 12.7006 12.7006 k = 0.5000-0.0000 0.2357 ( 5638 PWs) bands (ev): 0.5367 0.5367 0.5367 0.5367 0.6409 0.6409 0.6409 0.6409 6.2338 6.2338 6.2338 6.2338 6.2908 6.2908 6.2909 6.2909 6.6259 6.6259 6.6259 6.6259 6.8296 6.8296 6.8296 6.8296 8.5601 8.5601 8.5601 8.5601 8.6597 8.6597 8.6597 8.6597 12.5575 12.5575 12.5575 12.5575 12.7066 12.7066 12.7066 12.7066 k = 0.5000-0.0000 0.2239 ( 5634 PWs) bands (ev): 0.5199 0.5199 0.5199 0.5199 0.6582 0.6582 0.6582 0.6582 6.2239 6.2239 6.2239 6.2239 6.2974 6.2974 6.2974 6.2974 6.5971 6.5971 6.5971 6.5971 6.8655 6.8655 6.8655 6.8655 8.5471 8.5471 8.5471 8.5471 8.6771 8.6771 8.6771 8.6771 12.5153 12.5153 12.5153 12.5153 12.7038 12.7038 12.7038 12.7038 k = 0.5000-0.0000 0.2122 ( 5630 PWs) bands (ev): 0.5036 0.5036 0.5036 0.5036 0.6752 0.6752 0.6752 0.6752 6.2140 6.2140 6.2141 6.2141 6.3023 6.3023 6.3023 6.3023 6.5710 6.5710 6.5710 6.5710 6.9014 6.9014 6.9014 6.9014 8.5347 8.5347 8.5347 8.5347 8.6951 8.6951 8.6951 8.6951 12.4710 12.4710 12.4710 12.4710 12.6937 12.6937 12.6937 12.6937 k = 0.5000-0.0000 0.2004 ( 5626 PWs) bands (ev): 0.4877 0.4877 0.4877 0.4877 0.6919 0.6919 0.6919 0.6919 6.2043 6.2043 6.2043 6.2043 6.3050 6.3050 6.3050 6.3050 6.5480 6.5480 6.5480 6.5480 6.9371 6.9371 6.9372 6.9372 8.5227 8.5227 8.5227 8.5227 8.7136 8.7136 8.7136 8.7136 12.4254 12.4254 12.4254 12.4254 12.6779 12.6779 12.6780 12.6780 k = 0.5000-0.0000 0.1886 ( 5622 PWs) bands (ev): 0.4724 0.4724 0.4724 0.4724 0.7081 0.7081 0.7081 0.7081 6.1948 6.1948 6.1948 6.1948 6.3049 6.3049 6.3049 6.3049 6.5288 6.5288 6.5288 6.5288 6.9725 6.9725 6.9725 6.9725 8.5114 8.5114 8.5114 8.5114 8.7323 8.7323 8.7323 8.7323 12.3792 12.3792 12.3792 12.3792 12.6582 12.6582 12.6582 12.6582 k = 0.5000-0.0000 0.1768 ( 5620 PWs) bands (ev): 0.4576 0.4576 0.4576 0.4576 0.7239 0.7239 0.7239 0.7239 6.1856 6.1856 6.1856 6.1856 6.3015 6.3015 6.3016 6.3016 6.5140 6.5140 6.5140 6.5140 7.0071 7.0071 7.0071 7.0071 8.5006 8.5006 8.5006 8.5006 8.7513 8.7513 8.7513 8.7513 12.3331 12.3331 12.3331 12.3331 12.6357 12.6357 12.6357 12.6357 k = 0.5000-0.0000 0.1650 ( 5626 PWs) bands (ev): 0.4435 0.4435 0.4435 0.4435 0.7391 0.7391 0.7391 0.7391 6.1767 6.1767 6.1767 6.1767 6.2949 6.2949 6.2949 6.2949 6.5037 6.5037 6.5037 6.5037 7.0410 7.0410 7.0410 7.0410 8.4904 8.4904 8.4904 8.4904 8.7702 8.7702 8.7702 8.7702 12.2875 12.2875 12.2875 12.2875 12.6117 12.6117 12.6118 12.6118 k = 0.5000-0.0000 0.1532 ( 5624 PWs) bands (ev): 0.4302 0.4302 0.4302 0.4302 0.7537 0.7537 0.7537 0.7537 6.1682 6.1682 6.1682 6.1682 6.2852 6.2852 6.2852 6.2852 6.4976 6.4976 6.4976 6.4976 7.0738 7.0738 7.0738 7.0738 8.4808 8.4808 8.4808 8.4808 8.7889 8.7889 8.7889 8.7889 12.2429 12.2429 12.2429 12.2429 12.5871 12.5871 12.5871 12.5871 k = 0.5000-0.0000 0.1414 ( 5622 PWs) bands (ev): 0.4175 0.4175 0.4175 0.4175 0.7675 0.7675 0.7675 0.7675 6.1600 6.1600 6.1600 6.1600 6.2732 6.2732 6.2732 6.2732 6.4950 6.4950 6.4950 6.4950 7.1054 7.1054 7.1054 7.1054 8.4717 8.4717 8.4717 8.4717 8.8073 8.8073 8.8073 8.8073 12.1999 12.1999 12.1999 12.1999 12.5623 12.5623 12.5623 12.5623 k = 0.5000-0.0000 0.1297 ( 5626 PWs) bands (ev): 0.4057 0.4057 0.4057 0.4057 0.7805 0.7805 0.7805 0.7805 6.1522 6.1522 6.1522 6.1522 6.2599 6.2599 6.2599 6.2599 6.4951 6.4951 6.4951 6.4951 7.1355 7.1355 7.1355 7.1355 8.4631 8.4631 8.4631 8.4631 8.8252 8.8252 8.8252 8.8252 12.1587 12.1587 12.1587 12.1587 12.5381 12.5381 12.5381 12.5381 k = 0.5000-0.0000 0.1179 ( 5626 PWs) bands (ev): 0.3948 0.3948 0.3948 0.3948 0.7927 0.7927 0.7927 0.7927 6.1449 6.1449 6.1449 6.1449 6.2460 6.2460 6.2460 6.2460 6.4969 6.4969 6.4969 6.4969 7.1640 7.1640 7.1640 7.1640 8.4551 8.4551 8.4551 8.4551 8.8424 8.8424 8.8424 8.8424 12.1199 12.1199 12.1199 12.1199 12.5149 12.5149 12.5149 12.5149 k = 0.5000-0.0000 0.1061 ( 5634 PWs) bands (ev): 0.3848 0.3848 0.3848 0.3848 0.8038 0.8038 0.8038 0.8038 6.1380 6.1380 6.1380 6.1380 6.2322 6.2322 6.2322 6.2322 6.5000 6.5000 6.5000 6.5000 7.1906 7.1906 7.1906 7.1906 8.4477 8.4477 8.4477 8.4477 8.8587 8.8587 8.8587 8.8587 12.0837 12.0837 12.0837 12.0837 12.4930 12.4930 12.4930 12.4930 k = 0.5000-0.0000 0.0943 ( 5634 PWs) bands (ev): 0.3757 0.3757 0.3757 0.3757 0.8140 0.8140 0.8140 0.8140 6.1316 6.1316 6.1316 6.1316 6.2192 6.2192 6.2192 6.2192 6.5036 6.5036 6.5036 6.5036 7.2152 7.2152 7.2152 7.2152 8.4408 8.4408 8.4408 8.4408 8.8739 8.8739 8.8739 8.8739 12.0504 12.0504 12.0504 12.0504 12.4727 12.4727 12.4727 12.4727 k = 0.5000-0.0000 0.0825 ( 5626 PWs) bands (ev): 0.3676 0.3676 0.3676 0.3676 0.8232 0.8232 0.8232 0.8232 6.1257 6.1257 6.1257 6.1257 6.2072 6.2072 6.2073 6.2073 6.5075 6.5075 6.5075 6.5075 7.2374 7.2374 7.2374 7.2374 8.4346 8.4346 8.4346 8.4346 8.8879 8.8879 8.8879 8.8879 12.0204 12.0204 12.0204 12.0204 12.4544 12.4544 12.4544 12.4544 k = 0.5000-0.0000 0.0707 ( 5630 PWs) bands (ev): 0.3605 0.3605 0.3605 0.3605 0.8312 0.8312 0.8312 0.8312 6.1203 6.1203 6.1204 6.1204 6.1967 6.1967 6.1967 6.1967 6.5113 6.5113 6.5113 6.5113 7.2572 7.2572 7.2572 7.2572 8.4290 8.4290 8.4290 8.4290 8.9004 8.9004 8.9004 8.9004 11.9938 11.9938 11.9938 11.9938 12.4381 12.4381 12.4381 12.4381 k = 0.5000-0.0000 0.0589 ( 5638 PWs) bands (ev): 0.3545 0.3545 0.3545 0.3545 0.8381 0.8381 0.8381 0.8381 6.1156 6.1156 6.1156 6.1156 6.1876 6.1876 6.1876 6.1876 6.5148 6.5148 6.5148 6.5148 7.2743 7.2743 7.2743 7.2743 8.4242 8.4242 8.4242 8.4242 8.9113 8.9113 8.9114 8.9114 11.9710 11.9710 11.9710 11.9710 12.4241 12.4241 12.4241 12.4241 k = 0.5000-0.0000 0.0471 ( 5646 PWs) bands (ev): 0.3495 0.3495 0.3495 0.3495 0.8437 0.8437 0.8437 0.8437 6.1115 6.1115 6.1115 6.1115 6.1801 6.1801 6.1802 6.1802 6.5179 6.5179 6.5179 6.5179 7.2886 7.2886 7.2886 7.2886 8.4201 8.4201 8.4201 8.4201 8.9205 8.9205 8.9205 8.9205 11.9520 11.9520 11.9520 11.9520 12.4125 12.4125 12.4125 12.4125 k = 0.5000-0.0000 0.0354 ( 5652 PWs) bands (ev): 0.3456 0.3456 0.3456 0.3456 0.8482 0.8482 0.8482 0.8482 6.1082 6.1082 6.1083 6.1083 6.1744 6.1744 6.1744 6.1744 6.5204 6.5204 6.5204 6.5204 7.2998 7.2998 7.2998 7.2998 8.4169 8.4169 8.4169 8.4169 8.9278 8.9278 8.9278 8.9278 11.9371 11.9371 11.9371 11.9371 12.4034 12.4034 12.4034 12.4034 k = 0.5000-0.0000 0.0236 ( 5660 PWs) bands (ev): 0.3428 0.3428 0.3428 0.3428 0.8514 0.8514 0.8514 0.8514 6.1058 6.1058 6.1058 6.1058 6.1703 6.1703 6.1703 6.1703 6.5223 6.5223 6.5223 6.5223 7.3080 7.3080 7.3080 7.3080 8.4146 8.4146 8.4146 8.4146 8.9330 8.9330 8.9330 8.9330 11.9263 11.9263 11.9263 11.9263 12.3968 12.3968 12.3968 12.3968 k = 0.5000-0.0000 0.0118 ( 5660 PWs) bands (ev): 0.3411 0.3411 0.3411 0.3411 0.8533 0.8533 0.8533 0.8533 6.1043 6.1043 6.1043 6.1043 6.1678 6.1678 6.1678 6.1678 6.5234 6.5234 6.5234 6.5234 7.3129 7.3129 7.3129 7.3129 8.4131 8.4131 8.4131 8.4131 8.9362 8.9362 8.9362 8.9362 11.9198 11.9198 11.9198 11.9198 12.3928 12.3928 12.3928 12.3928 k = 0.5000-0.0000-0.0000 ( 5652 PWs) bands (ev): 0.3406 0.3406 0.3406 0.3406 0.8540 0.8540 0.8540 0.8540 6.1038 6.1038 6.1038 6.1038 6.1670 6.1670 6.1670 6.1670 6.5238 6.5238 6.5238 6.5238 7.3145 7.3145 7.3145 7.3145 8.4127 8.4127 8.4127 8.4127 8.9373 8.9373 8.9373 8.9373 11.9177 11.9177 11.9177 11.9177 12.3915 12.3915 12.3915 12.3915 k = 0.5000 0.3570-0.0000 ( 5636 PWs) bands (ev): 0.4744 0.4744 0.4744 0.4744 0.9541 0.9541 0.9541 0.9541 5.4038 5.4038 5.4038 5.4038 5.6014 5.6014 5.6014 5.6014 7.1679 7.1679 7.1679 7.1679 7.7569 7.7569 7.7569 7.7569 9.4878 9.4878 9.4878 9.4878 9.5708 9.5708 9.5708 9.5708 9.8180 9.8180 9.8181 9.8181 10.6178 10.6178 10.6178 10.6178 k = 0.5000 0.3570 0.0118 ( 5628 PWs) bands (ev): 0.4749 0.4749 0.4749 0.4749 0.9535 0.9535 0.9535 0.9535 5.4046 5.4046 5.4046 5.4046 5.6020 5.6020 5.6020 5.6020 7.1681 7.1681 7.1681 7.1681 7.7547 7.7547 7.7547 7.7547 9.4771 9.4771 9.4771 9.4771 9.5627 9.5627 9.5628 9.5628 9.8312 9.8312 9.8312 9.8312 10.6279 10.6279 10.6279 10.6279 k = 0.5000 0.3570 0.0236 ( 5620 PWs) bands (ev): 0.4764 0.4764 0.4764 0.4764 0.9516 0.9516 0.9516 0.9516 5.4073 5.4073 5.4073 5.4073 5.6037 5.6037 5.6037 5.6037 7.1686 7.1686 7.1686 7.1686 7.7483 7.7483 7.7483 7.7483 9.4489 9.4489 9.4489 9.4489 9.5395 9.5395 9.5395 9.5395 9.8666 9.8666 9.8666 9.8666 10.6573 10.6573 10.6573 10.6573 k = 0.5000 0.3570 0.0354 ( 5616 PWs) bands (ev): 0.4789 0.4789 0.4789 0.4789 0.9485 0.9485 0.9485 0.9485 5.4117 5.4117 5.4117 5.4117 5.6065 5.6065 5.6065 5.6065 7.1695 7.1695 7.1695 7.1695 7.7378 7.7378 7.7378 7.7378 9.4104 9.4104 9.4104 9.4104 9.5033 9.5033 9.5033 9.5033 9.9174 9.9174 9.9174 9.9174 10.7034 10.7034 10.7034 10.7034 k = 0.5000 0.3570 0.0471 ( 5616 PWs) bands (ev): 0.4823 0.4823 0.4823 0.4823 0.9441 0.9441 0.9441 0.9441 5.4178 5.4178 5.4178 5.4178 5.6104 5.6104 5.6104 5.6104 7.1708 7.1708 7.1708 7.1708 7.7235 7.7235 7.7235 7.7235 9.3666 9.3666 9.3667 9.3667 9.4574 9.4574 9.4574 9.4574 9.9782 9.9782 9.9782 9.9782 10.7630 10.7630 10.7630 10.7630 k = 0.5000 0.3570 0.0589 ( 5624 PWs) bands (ev): 0.4867 0.4867 0.4867 0.4867 0.9385 0.9385 0.9385 0.9385 5.4256 5.4256 5.4256 5.4256 5.6152 5.6152 5.6152 5.6152 7.1725 7.1725 7.1725 7.1725 7.7058 7.7058 7.7058 7.7058 9.3204 9.3204 9.3204 9.3204 9.4048 9.4048 9.4048 9.4048 10.0462 10.0462 10.0462 10.0462 10.8331 10.8331 10.8331 10.8331 k = 0.5000 0.3570 0.0707 ( 5624 PWs) bands (ev): 0.4921 0.4921 0.4921 0.4921 0.9318 0.9318 0.9318 0.9318 5.4349 5.4349 5.4349 5.4349 5.6208 5.6208 5.6208 5.6208 7.1745 7.1745 7.1745 7.1745 7.6851 7.6851 7.6851 7.6851 9.2731 9.2731 9.2731 9.2731 9.3480 9.3480 9.3480 9.3480 10.1196 10.1196 10.1196 10.1196 10.9109 10.9109 10.9109 10.9109 k = 0.5000 0.3570 0.0825 ( 5624 PWs) bands (ev): 0.4984 0.4984 0.4984 0.4984 0.9239 0.9239 0.9239 0.9239 5.4457 5.4457 5.4457 5.4457 5.6272 5.6272 5.6272 5.6272 7.1769 7.1769 7.1769 7.1769 7.6620 7.6620 7.6620 7.6620 9.2255 9.2255 9.2255 9.2255 9.2891 9.2891 9.2891 9.2891 10.1975 10.1975 10.1975 10.1975 10.9943 10.9943 10.9943 10.9943 k = 0.5000 0.3570 0.0943 ( 5628 PWs) bands (ev): 0.5056 0.5056 0.5056 0.5056 0.9150 0.9150 0.9150 0.9150 5.4578 5.4578 5.4578 5.4578 5.6342 5.6342 5.6342 5.6342 7.1796 7.1796 7.1796 7.1796 7.6368 7.6368 7.6368 7.6368 9.1781 9.1781 9.1781 9.1781 9.2296 9.2296 9.2297 9.2297 10.2793 10.2793 10.2793 10.2793 11.0815 11.0815 11.0815 11.0815 k = 0.5000 0.3570 0.1061 ( 5620 PWs) bands (ev): 0.5137 0.5137 0.5137 0.5137 0.9051 0.9051 0.9051 0.9051 5.4710 5.4710 5.4710 5.4710 5.6416 5.6416 5.6416 5.6416 7.1828 7.1828 7.1828 7.1828 7.6102 7.6102 7.6102 7.6102 9.1310 9.1310 9.1310 9.1310 9.1710 9.1710 9.1710 9.1710 10.3644 10.3644 10.3644 10.3644 11.1709 11.1709 11.1709 11.1709 k = 0.5000 0.3570 0.1179 ( 5620 PWs) bands (ev): 0.5226 0.5226 0.5226 0.5226 0.8942 0.8942 0.8942 0.8942 5.4854 5.4854 5.4854 5.4854 5.6493 5.6493 5.6493 5.6493 7.1863 7.1863 7.1863 7.1863 7.5827 7.5827 7.5827 7.5827 9.0844 9.0844 9.0844 9.0844 9.1142 9.1142 9.1142 9.1142 10.4525 10.4525 10.4525 10.4525 11.2612 11.2612 11.2612 11.2612 k = 0.5000 0.3570 0.1297 ( 5636 PWs) bands (ev): 0.5324 0.5324 0.5324 0.5324 0.8825 0.8825 0.8825 0.8825 5.5006 5.5006 5.5006 5.5006 5.6570 5.6570 5.6570 5.6570 7.1903 7.1903 7.1903 7.1903 7.5546 7.5546 7.5546 7.5546 9.0383 9.0383 9.0383 9.0383 9.0604 9.0604 9.0604 9.0604 10.5432 10.5432 10.5432 10.5432 11.3511 11.3511 11.3511 11.3511 k = 0.5000 0.3570 0.1414 ( 5628 PWs) bands (ev): 0.5430 0.5430 0.5430 0.5430 0.8699 0.8699 0.8699 0.8699 5.5164 5.5164 5.5164 5.5164 5.6645 5.6645 5.6645 5.6645 7.1946 7.1946 7.1946 7.1946 7.5264 7.5264 7.5264 7.5264 8.9924 8.9924 8.9924 8.9924 9.0106 9.0106 9.0106 9.0106 10.6359 10.6359 10.6359 10.6359 11.4389 11.4389 11.4389 11.4389 k = 0.5000 0.3570 0.1532 ( 5624 PWs) bands (ev): 0.5543 0.5543 0.5543 0.5543 0.8566 0.8566 0.8566 0.8566 5.5327 5.5327 5.5328 5.5328 5.6716 5.6716 5.6716 5.6716 7.1994 7.1994 7.1994 7.1994 7.4985 7.4985 7.4985 7.4985 8.9471 8.9471 8.9471 8.9471 8.9654 8.9654 8.9654 8.9654 10.7305 10.7305 10.7305 10.7305 11.5232 11.5232 11.5232 11.5232 k = 0.5000 0.3570 0.1650 ( 5612 PWs) bands (ev): 0.5664 0.5664 0.5664 0.5664 0.8426 0.8426 0.8426 0.8426 5.5493 5.5493 5.5493 5.5493 5.6782 5.6782 5.6782 5.6782 7.2047 7.2047 7.2047 7.2047 7.4712 7.4712 7.4712 7.4712 8.9038 8.9038 8.9039 8.9039 8.9241 8.9241 8.9242 8.9242 10.8264 10.8264 10.8264 10.8264 11.6018 11.6018 11.6018 11.6018 k = 0.5000 0.3570 0.1768 ( 5612 PWs) bands (ev): 0.5791 0.5791 0.5791 0.5791 0.8280 0.8280 0.8280 0.8280 5.5659 5.5659 5.5659 5.5659 5.6839 5.6839 5.6839 5.6839 7.2104 7.2104 7.2104 7.2104 7.4449 7.4449 7.4449 7.4449 8.8639 8.8639 8.8639 8.8639 8.8863 8.8863 8.8863 8.8863 10.9232 10.9232 10.9232 10.9232 11.6723 11.6723 11.6723 11.6723 k = 0.5000 0.3570 0.1886 ( 5624 PWs) bands (ev): 0.5925 0.5925 0.5925 0.5925 0.8130 0.8130 0.8130 0.8130 5.5822 5.5822 5.5822 5.5822 5.6885 5.6885 5.6886 5.6886 7.2166 7.2166 7.2166 7.2166 7.4198 7.4198 7.4198 7.4198 8.8280 8.8280 8.8280 8.8280 8.8516 8.8516 8.8516 8.8516 11.0204 11.0204 11.0204 11.0204 11.7318 11.7318 11.7318 11.7318 k = 0.5000 0.3570 0.2004 ( 5628 PWs) bands (ev): 0.6064 0.6064 0.6064 0.6064 0.7975 0.7975 0.7976 0.7976 5.5981 5.5981 5.5981 5.5981 5.6920 5.6920 5.6920 5.6920 7.2235 7.2235 7.2235 7.2235 7.3960 7.3960 7.3961 7.3961 8.7968 8.7968 8.7968 8.7968 8.8203 8.8203 8.8203 8.8203 11.1174 11.1174 11.1174 11.1174 11.7767 11.7767 11.7767 11.7767 k = 0.5000 0.3570 0.2122 ( 5628 PWs) bands (ev): 0.6208 0.6208 0.6208 0.6208 0.7818 0.7818 0.7818 0.7818 5.6131 5.6131 5.6131 5.6131 5.6941 5.6941 5.6941 5.6941 7.2310 7.2310 7.2310 7.2310 7.3739 7.3739 7.3739 7.3739 8.7705 8.7705 8.7705 8.7705 8.7926 8.7926 8.7926 8.7926 11.2135 11.2135 11.2135 11.2135 11.8036 11.8036 11.8036 11.8036 k = 0.5000 0.3570 0.2239 ( 5632 PWs) bands (ev): 0.6357 0.6357 0.6357 0.6357 0.7658 0.7658 0.7658 0.7658 5.6271 5.6271 5.6271 5.6271 5.6947 5.6947 5.6948 5.6948 7.2392 7.2392 7.2392 7.2392 7.3534 7.3534 7.3534 7.3534 8.7494 8.7494 8.7494 8.7494 8.7689 8.7689 8.7689 8.7689 11.3080 11.3080 11.3080 11.3080 11.8100 11.8100 11.8100 11.8100 k = 0.5000 0.3570 0.2357 ( 5624 PWs) bands (ev): 0.6508 0.6508 0.6508 0.6508 0.7497 0.7497 0.7497 0.7497 5.6396 5.6396 5.6397 5.6397 5.6939 5.6939 5.6940 5.6940 7.2481 7.2481 7.2481 7.2481 7.3347 7.3347 7.3347 7.3347 8.7335 8.7335 8.7335 8.7335 8.7493 8.7493 8.7494 8.7494 11.3999 11.3999 11.3999 11.3999 11.7953 11.7953 11.7953 11.7953 k = 0.5000 0.3570 0.2475 ( 5632 PWs) bands (ev): 0.6661 0.6661 0.6661 0.6661 0.7338 0.7338 0.7338 0.7338 5.6503 5.6503 5.6503 5.6503 5.6919 5.6919 5.6919 5.6919 7.2577 7.2577 7.2577 7.2577 7.3181 7.3181 7.3181 7.3181 8.7229 8.7229 8.7229 8.7229 8.7344 8.7344 8.7344 8.7344 11.4878 11.4878 11.4878 11.4878 11.7609 11.7609 11.7609 11.7609 k = 0.5000 0.3570 0.2593 ( 5632 PWs) bands (ev): 0.6809 0.6809 0.6809 0.6809 0.7186 0.7186 0.7186 0.7186 5.6580 5.6580 5.6580 5.6580 5.6895 5.6895 5.6895 5.6895 7.2672 7.2672 7.2672 7.2672 7.3044 7.3044 7.3044 7.3044 8.7174 8.7174 8.7175 8.7175 8.7244 8.7244 8.7244 8.7244 11.5702 11.5702 11.5702 11.5702 11.7097 11.7097 11.7097 11.7097 k = 0.5000 0.3570 0.2711 ( 5632 PWs) bands (ev): 0.6902 0.6902 0.6902 0.6902 0.7092 0.7092 0.7092 0.7092 5.6610 5.6610 5.6610 5.6610 5.6882 5.6882 5.6882 5.6882 7.2724 7.2724 7.2724 7.2724 7.2977 7.2977 7.2977 7.2977 8.7162 8.7162 8.7162 8.7162 8.7205 8.7205 8.7205 8.7205 11.6421 11.6421 11.6421 11.6421 11.6480 11.6480 11.6480 11.6480 Writing output data file ZrSi.save init_run : 0.31s CPU 0.49s WALL ( 1 calls) electrons : 282.83s CPU 288.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 282.82s CPU 288.73s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 392 calls) cegterg : 256.36s CPU 259.62s WALL ( 913 calls) Called by sum_band: Called by *egterg: h_psi : 152.68s CPU 155.05s WALL ( 16227 calls) s_psi : 12.51s CPU 12.51s WALL ( 16227 calls) g_psi : 0.54s CPU 0.56s WALL ( 14922 calls) cdiaghg : 78.83s CPU 80.22s WALL ( 15314 calls) cegterg:over : 10.97s CPU 10.99s WALL ( 14922 calls) cegterg:upda : 11.04s CPU 11.08s WALL ( 14922 calls) cegterg:last : 5.49s CPU 5.48s WALL ( 2732 calls) cdiaghg:chol : 4.58s CPU 4.59s WALL ( 15314 calls) cdiaghg:inve : 2.32s CPU 2.51s WALL ( 15314 calls) cdiaghg:para : 4.54s CPU 4.59s WALL ( 30628 calls) Called by h_psi: h_psi:vloc : 121.70s CPU 123.59s WALL ( 16227 calls) h_psi:vnl : 30.46s CPU 30.96s WALL ( 16227 calls) add_vuspsi : 15.93s CPU 16.05s WALL ( 16227 calls) General routines calbec : 14.45s CPU 14.86s WALL ( 16227 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 115.43s CPU 117.04s WALL ( 1403492 calls) davcio : 0.24s CPU 0.28s WALL ( 784 calls) Parallel routines fft_scatter : 43.60s CPU 44.27s WALL ( 1403507 calls) PWSCF : 5m 0.15s CPU 5m31.70s WALL This run was terminated on: 21:21:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=