Program PWSCF v.5.1.1 starts on 22May2015 at 1: 0:15 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AlAu.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 20 6 2785 679 112 Max 53 21 7 2792 704 115 Sum 2543 993 305 133901 33287 5483 bravais-lattice index = 14 lattice parameter (alat) = 6.2901 a.u. unit-cell volume = 907.9460 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.290142 celldm(2)= 1.900318 celldm(3)= 1.922670 celldm(4)= 0.054776 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 1.900318 0.000000 ) a(3) = ( 0.000000 0.105316 1.919784 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.526228 -0.028868 ) b(3) = ( 0.000000 0.000000 0.520892 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Al 3.00 26.98150 Al( 1.00) Au 11.00 196.96660 Au( 1.00) 2 Sym. Ops., with inversion, found (note: 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0000000 0.0000000 0.0104178), wk = 0.0032787 k( 3) = ( 0.0000000 0.0000000 0.0208357), wk = 0.0032787 k( 4) = ( 0.0000000 0.0000000 0.0312535), wk = 0.0032787 k( 5) = ( 0.0000000 0.0000000 0.0416714), wk = 0.0032787 k( 6) = ( 0.0000000 0.0000000 0.0520892), wk = 0.0032787 k( 7) = ( 0.0000000 0.0000000 0.0625070), wk = 0.0032787 k( 8) = ( 0.0000000 0.0000000 0.0729249), wk = 0.0032787 k( 9) = ( 0.0000000 0.0000000 0.0833427), wk = 0.0032787 k( 10) = ( 0.0000000 0.0000000 0.0937606), wk = 0.0032787 k( 11) = ( 0.0000000 0.0000000 0.1041784), wk = 0.0032787 k( 12) = ( 0.0000000 0.0000000 0.1145962), wk = 0.0032787 k( 13) = ( 0.0000000 0.0000000 0.1250141), wk = 0.0032787 k( 14) = ( 0.0000000 0.0000000 0.1354319), wk = 0.0032787 k( 15) = ( 0.0000000 0.0000000 0.1458498), wk = 0.0032787 k( 16) = ( 0.0000000 0.0000000 0.1562676), wk = 0.0032787 k( 17) = ( 0.0000000 0.0000000 0.1666855), wk = 0.0032787 k( 18) = ( 0.0000000 0.0000000 0.1771033), wk = 0.0032787 k( 19) = ( 0.0000000 0.0000000 0.1875211), wk = 0.0032787 k( 20) = ( 0.0000000 0.0000000 0.1979390), wk = 0.0032787 k( 21) = ( 0.0000000 0.0000000 0.2083568), wk = 0.0032787 k( 22) = ( 0.0000000 0.0000000 0.2187747), wk = 0.0032787 k( 23) = ( 0.0000000 0.0000000 0.2291925), wk = 0.0032787 k( 24) = ( 0.0000000 0.0000000 0.2396103), wk = 0.0032787 k( 25) = ( 0.0000000 0.0000000 0.2500282), wk = 0.0032787 k( 26) = ( 0.0000000 0.0000000 0.2604460), wk = 0.0032787 k( 27) = ( 0.0000000 0.0000000 0.2604460), wk = 0.0032787 k( 28) = ( 0.0000000 0.0104008 0.2604460), wk = 0.0032787 k( 29) = ( 0.0000000 0.0208015 0.2604460), wk = 0.0032787 k( 30) = ( 0.0000000 0.0312022 0.2604460), wk = 0.0032787 k( 31) = ( 0.0000000 0.0416030 0.2604460), wk = 0.0032787 k( 32) = ( 0.0000000 0.0520038 0.2604460), wk = 0.0032787 k( 33) = ( 0.0000000 0.0624045 0.2604460), wk = 0.0032787 k( 34) = ( 0.0000000 0.0728053 0.2604460), wk = 0.0032787 k( 35) = ( 0.0000000 0.0832060 0.2604460), wk = 0.0032787 k( 36) = ( 0.0000000 0.0936067 0.2604460), wk = 0.0032787 k( 37) = ( 0.0000000 0.1040075 0.2604460), wk = 0.0032787 k( 38) = ( 0.0000000 0.1144083 0.2604460), wk = 0.0032787 k( 39) = ( 0.0000000 0.1248090 0.2604460), wk = 0.0032787 k( 40) = ( 0.0000000 0.1352097 0.2604460), wk = 0.0032787 k( 41) = ( 0.0000000 0.1456105 0.2604460), wk = 0.0032787 k( 42) = ( 0.0000000 0.1560113 0.2604460), wk = 0.0032787 k( 43) = ( 0.0000000 0.1664120 0.2604460), wk = 0.0032787 k( 44) = ( 0.0000000 0.1768127 0.2604460), wk = 0.0032787 k( 45) = ( 0.0000000 0.1872135 0.2604460), wk = 0.0032787 k( 46) = ( 0.0000000 0.1976143 0.2604460), wk = 0.0032787 k( 47) = ( 0.0000000 0.2080150 0.2604460), wk = 0.0032787 k( 48) = ( 0.0000000 0.2184158 0.2604460), wk = 0.0032787 k( 49) = ( 0.0000000 0.2288165 0.2604460), wk = 0.0032787 k( 50) = ( 0.0000000 0.2392172 0.2604460), wk = 0.0032787 k( 51) = ( 0.0000000 0.2496180 0.2604460), wk = 0.0032787 k( 52) = ( 0.0000000 0.2496180 0.2604460), wk = 0.0032787 k( 53) = ( 0.0000000 0.2563659 0.2532290), wk = 0.0032787 k( 54) = ( 0.0000000 0.2631138 0.2460120), wk = 0.0032787 k( 55) = ( 0.0000000 0.2631138 0.2460120), wk = 0.0032787 k( 56) = ( 0.0104167 0.2631138 0.2460120), wk = 0.0032787 k( 57) = ( 0.0208333 0.2631138 0.2460120), wk = 0.0032787 k( 58) = ( 0.0312500 0.2631138 0.2460120), wk = 0.0032787 k( 59) = ( 0.0416667 0.2631138 0.2460120), wk = 0.0032787 k( 60) = ( 0.0520833 0.2631138 0.2460120), wk = 0.0032787 k( 61) = ( 0.0625000 0.2631138 0.2460120), wk = 0.0032787 k( 62) = ( 0.0729167 0.2631138 0.2460120), wk = 0.0032787 k( 63) = ( 0.0833333 0.2631138 0.2460120), wk = 0.0032787 k( 64) = ( 0.0937500 0.2631138 0.2460120), wk = 0.0032787 k( 65) = ( 0.1041667 0.2631138 0.2460120), wk = 0.0032787 k( 66) = ( 0.1145833 0.2631138 0.2460120), wk = 0.0032787 k( 67) = ( 0.1250000 0.2631138 0.2460120), wk = 0.0032787 k( 68) = ( 0.1354167 0.2631138 0.2460120), wk = 0.0032787 k( 69) = ( 0.1458333 0.2631138 0.2460120), wk = 0.0032787 k( 70) = ( 0.1562500 0.2631138 0.2460120), wk = 0.0032787 k( 71) = ( 0.1666667 0.2631138 0.2460120), wk = 0.0032787 k( 72) = ( 0.1770833 0.2631138 0.2460120), wk = 0.0032787 k( 73) = ( 0.1875000 0.2631138 0.2460120), wk = 0.0032787 k( 74) = ( 0.1979167 0.2631138 0.2460120), wk = 0.0032787 k( 75) = ( 0.2083333 0.2631138 0.2460120), wk = 0.0032787 k( 76) = ( 0.2187500 0.2631138 0.2460120), wk = 0.0032787 k( 77) = ( 0.2291667 0.2631138 0.2460120), wk = 0.0032787 k( 78) = ( 0.2395833 0.2631138 0.2460120), wk = 0.0032787 k( 79) = ( 0.2500000 0.2631138 0.2460120), wk = 0.0032787 k( 80) = ( 0.2604167 0.2631138 0.2460120), wk = 0.0032787 k( 81) = ( 0.2708333 0.2631138 0.2460120), wk = 0.0032787 k( 82) = ( 0.2812500 0.2631138 0.2460120), wk = 0.0032787 k( 83) = ( 0.2916667 0.2631138 0.2460120), wk = 0.0032787 k( 84) = ( 0.3020833 0.2631138 0.2460120), wk = 0.0032787 k( 85) = ( 0.3125000 0.2631138 0.2460120), wk = 0.0032787 k( 86) = ( 0.3229167 0.2631138 0.2460120), wk = 0.0032787 k( 87) = ( 0.3333333 0.2631138 0.2460120), wk = 0.0032787 k( 88) = ( 0.3437500 0.2631138 0.2460120), wk = 0.0032787 k( 89) = ( 0.3541667 0.2631138 0.2460120), wk = 0.0032787 k( 90) = ( 0.3645833 0.2631138 0.2460120), wk = 0.0032787 k( 91) = ( 0.3750000 0.2631138 0.2460120), wk = 0.0032787 k( 92) = ( 0.3854167 0.2631138 0.2460120), wk = 0.0032787 k( 93) = ( 0.3958333 0.2631138 0.2460120), wk = 0.0032787 k( 94) = ( 0.4062500 0.2631138 0.2460120), wk = 0.0032787 k( 95) = ( 0.4166667 0.2631138 0.2460120), wk = 0.0032787 k( 96) = ( 0.4270833 0.2631138 0.2460120), wk = 0.0032787 k( 97) = ( 0.4375000 0.2631138 0.2460120), wk = 0.0032787 k( 98) = ( 0.4479167 0.2631138 0.2460120), wk = 0.0032787 k( 99) = ( 0.4583333 0.2631138 0.2460120), wk = 0.0032787 k( 100) = ( 0.4687500 0.2631138 0.2460120), wk = 0.0032787 k( 101) = ( 0.4791667 0.2631138 0.2460120), wk = 0.0032787 k( 102) = ( 0.4895833 0.2631138 0.2460120), wk = 0.0032787 k( 103) = ( 0.5000000 0.2631138 0.2460120), wk = 0.0032787 k( 104) = ( 0.5000000 0.2631138 0.2460120), wk = 0.0032787 k( 105) = ( 0.5000000 0.2698617 0.2387951), wk = 0.0032787 k( 106) = ( 0.5000000 0.2766096 0.2315781), wk = 0.0032787 k( 107) = ( 0.5000000 0.2766096 0.2315781), wk = 0.0032787 k( 108) = ( 0.5000000 0.2760473 0.2213276), wk = 0.0032787 k( 109) = ( 0.5000000 0.2754849 0.2110771), wk = 0.0032787 k( 110) = ( 0.5000000 0.2749226 0.2008266), wk = 0.0032787 k( 111) = ( 0.5000000 0.2743603 0.1905761), wk = 0.0032787 k( 112) = ( 0.5000000 0.2737980 0.1803256), wk = 0.0032787 k( 113) = ( 0.5000000 0.2732356 0.1700751), wk = 0.0032787 k( 114) = ( 0.5000000 0.2726733 0.1598246), wk = 0.0032787 k( 115) = ( 0.5000000 0.2721110 0.1495741), wk = 0.0032787 k( 116) = ( 0.5000000 0.2715487 0.1393236), wk = 0.0032787 k( 117) = ( 0.5000000 0.2709863 0.1290731), wk = 0.0032787 k( 118) = ( 0.5000000 0.2704240 0.1188226), wk = 0.0032787 k( 119) = ( 0.5000000 0.2698617 0.1085721), wk = 0.0032787 k( 120) = ( 0.5000000 0.2692994 0.0983216), wk = 0.0032787 k( 121) = ( 0.5000000 0.2687370 0.0880711), wk = 0.0032787 k( 122) = ( 0.5000000 0.2681747 0.0778206), wk = 0.0032787 k( 123) = ( 0.5000000 0.2676124 0.0675700), wk = 0.0032787 k( 124) = ( 0.5000000 0.2670501 0.0573195), wk = 0.0032787 k( 125) = ( 0.5000000 0.2664877 0.0470690), wk = 0.0032787 k( 126) = ( 0.5000000 0.2659254 0.0368185), wk = 0.0032787 k( 127) = ( 0.5000000 0.2653631 0.0265680), wk = 0.0032787 k( 128) = ( 0.5000000 0.2648008 0.0163175), wk = 0.0032787 k( 129) = ( 0.5000000 0.2642384 0.0060670), wk = 0.0032787 k( 130) = ( 0.5000000 0.2636761 -0.0041835), wk = 0.0032787 k( 131) = ( 0.5000000 0.2631138 -0.0144340), wk = 0.0032787 k( 132) = ( 0.5000000 0.2631138 -0.0144340), wk = 0.0032787 k( 133) = ( 0.4895833 0.2631138 -0.0144340), wk = 0.0032787 k( 134) = ( 0.4791667 0.2631138 -0.0144340), wk = 0.0032787 k( 135) = ( 0.4687500 0.2631138 -0.0144340), wk = 0.0032787 k( 136) = ( 0.4583333 0.2631138 -0.0144340), wk = 0.0032787 k( 137) = ( 0.4479167 0.2631138 -0.0144340), wk = 0.0032787 k( 138) = ( 0.4375000 0.2631138 -0.0144340), wk = 0.0032787 k( 139) = ( 0.4270833 0.2631138 -0.0144340), wk = 0.0032787 k( 140) = ( 0.4166667 0.2631138 -0.0144340), wk = 0.0032787 k( 141) = ( 0.4062500 0.2631138 -0.0144340), wk = 0.0032787 k( 142) = ( 0.3958333 0.2631138 -0.0144340), wk = 0.0032787 k( 143) = ( 0.3854167 0.2631138 -0.0144340), wk = 0.0032787 k( 144) = ( 0.3750000 0.2631138 -0.0144340), wk = 0.0032787 k( 145) = ( 0.3645833 0.2631138 -0.0144340), wk = 0.0032787 k( 146) = ( 0.3541667 0.2631138 -0.0144340), wk = 0.0032787 k( 147) = ( 0.3437500 0.2631138 -0.0144340), wk = 0.0032787 k( 148) = ( 0.3333333 0.2631138 -0.0144340), wk = 0.0032787 k( 149) = ( 0.3229167 0.2631138 -0.0144340), wk = 0.0032787 k( 150) = ( 0.3125000 0.2631138 -0.0144340), wk = 0.0032787 k( 151) = ( 0.3020833 0.2631138 -0.0144340), wk = 0.0032787 k( 152) = ( 0.2916667 0.2631138 -0.0144340), wk = 0.0032787 k( 153) = ( 0.2812500 0.2631138 -0.0144340), wk = 0.0032787 k( 154) = ( 0.2708333 0.2631138 -0.0144340), wk = 0.0032787 k( 155) = ( 0.2604167 0.2631138 -0.0144340), wk = 0.0032787 k( 156) = ( 0.2500000 0.2631138 -0.0144340), wk = 0.0032787 k( 157) = ( 0.2395833 0.2631138 -0.0144340), wk = 0.0032787 k( 158) = ( 0.2291667 0.2631138 -0.0144340), wk = 0.0032787 k( 159) = ( 0.2187500 0.2631138 -0.0144340), wk = 0.0032787 k( 160) = ( 0.2083333 0.2631138 -0.0144340), wk = 0.0032787 k( 161) = ( 0.1979167 0.2631138 -0.0144340), wk = 0.0032787 k( 162) = ( 0.1875000 0.2631138 -0.0144340), wk = 0.0032787 k( 163) = ( 0.1770833 0.2631138 -0.0144340), wk = 0.0032787 k( 164) = ( 0.1666667 0.2631138 -0.0144340), wk = 0.0032787 k( 165) = ( 0.1562500 0.2631138 -0.0144340), wk = 0.0032787 k( 166) = ( 0.1458333 0.2631138 -0.0144340), wk = 0.0032787 k( 167) = ( 0.1354167 0.2631138 -0.0144340), wk = 0.0032787 k( 168) = ( 0.1250000 0.2631138 -0.0144340), wk = 0.0032787 k( 169) = ( 0.1145833 0.2631138 -0.0144340), wk = 0.0032787 k( 170) = ( 0.1041667 0.2631138 -0.0144340), wk = 0.0032787 k( 171) = ( 0.0937500 0.2631138 -0.0144340), wk = 0.0032787 k( 172) = ( 0.0833333 0.2631138 -0.0144340), wk = 0.0032787 k( 173) = ( 0.0729167 0.2631138 -0.0144340), wk = 0.0032787 k( 174) = ( 0.0625000 0.2631138 -0.0144340), wk = 0.0032787 k( 175) = ( 0.0520833 0.2631138 -0.0144340), wk = 0.0032787 k( 176) = ( 0.0416667 0.2631138 -0.0144340), wk = 0.0032787 k( 177) = ( 0.0312500 0.2631138 -0.0144340), wk = 0.0032787 k( 178) = ( 0.0208333 0.2631138 -0.0144340), wk = 0.0032787 k( 179) = ( 0.0104167 0.2631138 -0.0144340), wk = 0.0032787 k( 180) = ( 0.0000000 0.2631138 -0.0144340), wk = 0.0032787 k( 181) = ( 0.0000000 0.2631138 -0.0144340), wk = 0.0032787 k( 182) = ( 0.0000000 0.2636761 -0.0041835), wk = 0.0032787 k( 183) = ( 0.0000000 0.2642384 0.0060670), wk = 0.0032787 k( 184) = ( 0.0000000 0.2648008 0.0163175), wk = 0.0032787 k( 185) = ( 0.0000000 0.2653631 0.0265680), wk = 0.0032787 k( 186) = ( 0.0000000 0.2659254 0.0368185), wk = 0.0032787 k( 187) = ( 0.0000000 0.2664877 0.0470690), wk = 0.0032787 k( 188) = ( 0.0000000 0.2670501 0.0573195), wk = 0.0032787 k( 189) = ( 0.0000000 0.2676124 0.0675700), wk = 0.0032787 k( 190) = ( 0.0000000 0.2681747 0.0778206), wk = 0.0032787 k( 191) = ( 0.0000000 0.2687370 0.0880711), wk = 0.0032787 k( 192) = ( 0.0000000 0.2692994 0.0983216), wk = 0.0032787 k( 193) = ( 0.0000000 0.2698617 0.1085721), wk = 0.0032787 k( 194) = ( 0.0000000 0.2704240 0.1188226), wk = 0.0032787 k( 195) = ( 0.0000000 0.2709863 0.1290731), wk = 0.0032787 k( 196) = ( 0.0000000 0.2715487 0.1393236), wk = 0.0032787 k( 197) = ( 0.0000000 0.2721110 0.1495741), wk = 0.0032787 k( 198) = ( 0.0000000 0.2726733 0.1598246), wk = 0.0032787 k( 199) = ( 0.0000000 0.2732356 0.1700751), wk = 0.0032787 k( 200) = ( 0.0000000 0.2737980 0.1803256), wk = 0.0032787 k( 201) = ( 0.0000000 0.2743603 0.1905761), wk = 0.0032787 k( 202) = ( 0.0000000 0.2749226 0.2008266), wk = 0.0032787 k( 203) = ( 0.0000000 0.2754849 0.2110771), wk = 0.0032787 k( 204) = ( 0.0000000 0.2760473 0.2213276), wk = 0.0032787 k( 205) = ( 0.0000000 0.2766096 0.2315781), wk = 0.0032787 k( 206) = ( 0.5000000 0.2496180 0.2604460), wk = 0.0032787 k( 207) = ( 0.5000000 0.2392172 0.2604460), wk = 0.0032787 k( 208) = ( 0.5000000 0.2288165 0.2604460), wk = 0.0032787 k( 209) = ( 0.5000000 0.2184158 0.2604460), wk = 0.0032787 k( 210) = ( 0.5000000 0.2080150 0.2604460), wk = 0.0032787 k( 211) = ( 0.5000000 0.1976143 0.2604460), wk = 0.0032787 k( 212) = ( 0.5000000 0.1872135 0.2604460), wk = 0.0032787 k( 213) = ( 0.5000000 0.1768127 0.2604460), wk = 0.0032787 k( 214) = ( 0.5000000 0.1664120 0.2604460), wk = 0.0032787 k( 215) = ( 0.5000000 0.1560113 0.2604460), wk = 0.0032787 k( 216) = ( 0.5000000 0.1456105 0.2604460), wk = 0.0032787 k( 217) = ( 0.5000000 0.1352097 0.2604460), wk = 0.0032787 k( 218) = ( 0.5000000 0.1248090 0.2604460), wk = 0.0032787 k( 219) = ( 0.5000000 0.1144083 0.2604460), wk = 0.0032787 k( 220) = ( 0.5000000 0.1040075 0.2604460), wk = 0.0032787 k( 221) = ( 0.5000000 0.0936067 0.2604460), wk = 0.0032787 k( 222) = ( 0.5000000 0.0832060 0.2604460), wk = 0.0032787 k( 223) = ( 0.5000000 0.0728053 0.2604460), wk = 0.0032787 k( 224) = ( 0.5000000 0.0624045 0.2604460), wk = 0.0032787 k( 225) = ( 0.5000000 0.0520038 0.2604460), wk = 0.0032787 k( 226) = ( 0.5000000 0.0416030 0.2604460), wk = 0.0032787 k( 227) = ( 0.5000000 0.0312022 0.2604460), wk = 0.0032787 k( 228) = ( 0.5000000 0.0208015 0.2604460), wk = 0.0032787 k( 229) = ( 0.5000000 0.0104008 0.2604460), wk = 0.0032787 k( 230) = ( 0.5000000 -0.0000000 0.2604460), wk = 0.0032787 k( 231) = ( 0.5000000 -0.0000000 0.2604460), wk = 0.0032787 k( 232) = ( 0.5000000 -0.0000000 0.2500282), wk = 0.0032787 k( 233) = ( 0.5000000 -0.0000000 0.2396103), wk = 0.0032787 k( 234) = ( 0.5000000 -0.0000000 0.2291925), wk = 0.0032787 k( 235) = ( 0.5000000 -0.0000000 0.2187747), wk = 0.0032787 k( 236) = ( 0.5000000 -0.0000000 0.2083568), wk = 0.0032787 k( 237) = ( 0.5000000 -0.0000000 0.1979390), wk = 0.0032787 k( 238) = ( 0.5000000 -0.0000000 0.1875211), wk = 0.0032787 k( 239) = ( 0.5000000 -0.0000000 0.1771033), wk = 0.0032787 k( 240) = ( 0.5000000 -0.0000000 0.1666855), wk = 0.0032787 k( 241) = ( 0.5000000 -0.0000000 0.1562676), wk = 0.0032787 k( 242) = ( 0.5000000 -0.0000000 0.1458498), wk = 0.0032787 k( 243) = ( 0.5000000 -0.0000000 0.1354319), wk = 0.0032787 k( 244) = ( 0.5000000 -0.0000000 0.1250141), wk = 0.0032787 k( 245) = ( 0.5000000 -0.0000000 0.1145962), wk = 0.0032787 k( 246) = ( 0.5000000 -0.0000000 0.1041784), wk = 0.0032787 k( 247) = ( 0.5000000 -0.0000000 0.0937606), wk = 0.0032787 k( 248) = ( 0.5000000 -0.0000000 0.0833427), wk = 0.0032787 k( 249) = ( 0.5000000 -0.0000000 0.0729249), wk = 0.0032787 k( 250) = ( 0.5000000 -0.0000000 0.0625070), wk = 0.0032787 k( 251) = ( 0.5000000 -0.0000000 0.0520892), wk = 0.0032787 k( 252) = ( 0.5000000 -0.0000000 0.0416714), wk = 0.0032787 k( 253) = ( 0.5000000 -0.0000000 0.0312535), wk = 0.0032787 k( 254) = ( 0.5000000 -0.0000000 0.0208357), wk = 0.0032787 k( 255) = ( 0.5000000 -0.0000000 0.0104178), wk = 0.0032787 k( 256) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032787 k( 257) = ( 0.0000000 0.0000000 0.2604460), wk = 0.0032787 k( 258) = ( 0.0104167 -0.0000000 0.2604460), wk = 0.0032787 k( 259) = ( 0.0208333 -0.0000000 0.2604460), wk = 0.0032787 k( 260) = ( 0.0312500 -0.0000000 0.2604460), wk = 0.0032787 k( 261) = ( 0.0416667 -0.0000000 0.2604460), wk = 0.0032787 k( 262) = ( 0.0520833 -0.0000000 0.2604460), wk = 0.0032787 k( 263) = ( 0.0625000 -0.0000000 0.2604460), wk = 0.0032787 k( 264) = ( 0.0729167 -0.0000000 0.2604460), wk = 0.0032787 k( 265) = ( 0.0833333 -0.0000000 0.2604460), wk = 0.0032787 k( 266) = ( 0.0937500 -0.0000000 0.2604460), wk = 0.0032787 k( 267) = ( 0.1041667 -0.0000000 0.2604460), wk = 0.0032787 k( 268) = ( 0.1145833 -0.0000000 0.2604460), wk = 0.0032787 k( 269) = ( 0.1250000 -0.0000000 0.2604460), wk = 0.0032787 k( 270) = ( 0.1354167 -0.0000000 0.2604460), wk = 0.0032787 k( 271) = ( 0.1458333 -0.0000000 0.2604460), wk = 0.0032787 k( 272) = ( 0.1562500 -0.0000000 0.2604460), wk = 0.0032787 k( 273) = ( 0.1666667 -0.0000000 0.2604460), wk = 0.0032787 k( 274) = ( 0.1770833 -0.0000000 0.2604460), wk = 0.0032787 k( 275) = ( 0.1875000 -0.0000000 0.2604460), wk = 0.0032787 k( 276) = ( 0.1979167 -0.0000000 0.2604460), wk = 0.0032787 k( 277) = ( 0.2083333 -0.0000000 0.2604460), wk = 0.0032787 k( 278) = ( 0.2187500 -0.0000000 0.2604460), wk = 0.0032787 k( 279) = ( 0.2291667 -0.0000000 0.2604460), wk = 0.0032787 k( 280) = ( 0.2395833 -0.0000000 0.2604460), wk = 0.0032787 k( 281) = ( 0.2500000 -0.0000000 0.2604460), wk = 0.0032787 k( 282) = ( 0.2604167 -0.0000000 0.2604460), wk = 0.0032787 k( 283) = ( 0.2708333 -0.0000000 0.2604460), wk = 0.0032787 k( 284) = ( 0.2812500 -0.0000000 0.2604460), wk = 0.0032787 k( 285) = ( 0.2916667 -0.0000000 0.2604460), wk = 0.0032787 k( 286) = ( 0.3020833 -0.0000000 0.2604460), wk = 0.0032787 k( 287) = ( 0.3125000 -0.0000000 0.2604460), wk = 0.0032787 k( 288) = ( 0.3229167 -0.0000000 0.2604460), wk = 0.0032787 k( 289) = ( 0.3333333 -0.0000000 0.2604460), wk = 0.0032787 k( 290) = ( 0.3437500 -0.0000000 0.2604460), wk = 0.0032787 k( 291) = ( 0.3541667 -0.0000000 0.2604460), wk = 0.0032787 k( 292) = ( 0.3645833 -0.0000000 0.2604460), wk = 0.0032787 k( 293) = ( 0.3750000 -0.0000000 0.2604460), wk = 0.0032787 k( 294) = ( 0.3854167 -0.0000000 0.2604460), wk = 0.0032787 k( 295) = ( 0.3958333 -0.0000000 0.2604460), wk = 0.0032787 k( 296) = ( 0.4062500 -0.0000000 0.2604460), wk = 0.0032787 k( 297) = ( 0.4166667 -0.0000000 0.2604460), wk = 0.0032787 k( 298) = ( 0.4270833 -0.0000000 0.2604460), wk = 0.0032787 k( 299) = ( 0.4375000 -0.0000000 0.2604460), wk = 0.0032787 k( 300) = ( 0.4479167 -0.0000000 0.2604460), wk = 0.0032787 k( 301) = ( 0.4583333 -0.0000000 0.2604460), wk = 0.0032787 k( 302) = ( 0.4687500 -0.0000000 0.2604460), wk = 0.0032787 k( 303) = ( 0.4791667 -0.0000000 0.2604460), wk = 0.0032787 k( 304) = ( 0.4895833 -0.0000000 0.2604460), wk = 0.0032787 k( 305) = ( 0.5000000 -0.0000000 0.2604460), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0032787 k( 3) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0032787 k( 4) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0032787 k( 5) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0032787 k( 6) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032787 k( 7) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0032787 k( 8) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0032787 k( 9) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0032787 k( 10) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0032787 k( 11) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032787 k( 12) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0032787 k( 13) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0032787 k( 14) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0032787 k( 15) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0032787 k( 16) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032787 k( 17) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0032787 k( 18) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0032787 k( 19) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0032787 k( 20) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0032787 k( 21) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032787 k( 22) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0032787 k( 23) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0032787 k( 24) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0032787 k( 25) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0032787 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 28) = ( 0.0000000 0.0197647 0.5010954), wk = 0.0032787 k( 29) = ( 0.0000000 0.0395295 0.5021907), wk = 0.0032787 k( 30) = ( 0.0000000 0.0592942 0.5032861), wk = 0.0032787 k( 31) = ( 0.0000000 0.0790590 0.5043815), wk = 0.0032787 k( 32) = ( 0.0000000 0.0988237 0.5054768), wk = 0.0032787 k( 33) = ( 0.0000000 0.1185884 0.5065722), wk = 0.0032787 k( 34) = ( 0.0000000 0.1383532 0.5076676), wk = 0.0032787 k( 35) = ( 0.0000000 0.1581179 0.5087629), wk = 0.0032787 k( 36) = ( 0.0000000 0.1778826 0.5098583), wk = 0.0032787 k( 37) = ( 0.0000000 0.1976474 0.5109536), wk = 0.0032787 k( 38) = ( 0.0000000 0.2174121 0.5120490), wk = 0.0032787 k( 39) = ( 0.0000000 0.2371768 0.5131444), wk = 0.0032787 k( 40) = ( 0.0000000 0.2569416 0.5142397), wk = 0.0032787 k( 41) = ( 0.0000000 0.2767063 0.5153351), wk = 0.0032787 k( 42) = ( 0.0000000 0.2964711 0.5164305), wk = 0.0032787 k( 43) = ( 0.0000000 0.3162358 0.5175258), wk = 0.0032787 k( 44) = ( 0.0000000 0.3360005 0.5186212), wk = 0.0032787 k( 45) = ( 0.0000000 0.3557653 0.5197166), wk = 0.0032787 k( 46) = ( 0.0000000 0.3755300 0.5208119), wk = 0.0032787 k( 47) = ( 0.0000000 0.3952947 0.5219073), wk = 0.0032787 k( 48) = ( 0.0000000 0.4150595 0.5230027), wk = 0.0032787 k( 49) = ( 0.0000000 0.4348242 0.5240980), wk = 0.0032787 k( 50) = ( 0.0000000 0.4545889 0.5251934), wk = 0.0032787 k( 51) = ( 0.0000000 0.4743537 0.5262888), wk = 0.0032787 k( 52) = ( 0.0000000 0.4743537 0.5262888), wk = 0.0032787 k( 53) = ( 0.0000000 0.4871768 0.5131444), wk = 0.0032787 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032787 k( 55) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032787 k( 56) = ( 0.0104167 0.5000000 0.5000000), wk = 0.0032787 k( 57) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0032787 k( 58) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0032787 k( 59) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0032787 k( 60) = ( 0.0520833 0.5000000 0.5000000), wk = 0.0032787 k( 61) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0032787 k( 62) = ( 0.0729167 0.5000000 0.5000000), wk = 0.0032787 k( 63) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0032787 k( 64) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0032787 k( 65) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0032787 k( 66) = ( 0.1145833 0.5000000 0.5000000), wk = 0.0032787 k( 67) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0032787 k( 68) = ( 0.1354167 0.5000000 0.5000000), wk = 0.0032787 k( 69) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0032787 k( 70) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0032787 k( 71) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032787 k( 72) = ( 0.1770833 0.5000000 0.5000000), wk = 0.0032787 k( 73) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0032787 k( 74) = ( 0.1979167 0.5000000 0.5000000), wk = 0.0032787 k( 75) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0032787 k( 76) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0032787 k( 77) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0032787 k( 78) = ( 0.2395833 0.5000000 0.5000000), wk = 0.0032787 k( 79) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032787 k( 80) = ( 0.2604167 0.5000000 0.5000000), wk = 0.0032787 k( 81) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0032787 k( 82) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0032787 k( 83) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0032787 k( 84) = ( 0.3020833 0.5000000 0.5000000), wk = 0.0032787 k( 85) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0032787 k( 86) = ( 0.3229167 0.5000000 0.5000000), wk = 0.0032787 k( 87) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032787 k( 88) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0032787 k( 89) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0032787 k( 90) = ( 0.3645833 0.5000000 0.5000000), wk = 0.0032787 k( 91) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0032787 k( 92) = ( 0.3854167 0.5000000 0.5000000), wk = 0.0032787 k( 93) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0032787 k( 94) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0032787 k( 95) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0032787 k( 96) = ( 0.4270833 0.5000000 0.5000000), wk = 0.0032787 k( 97) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0032787 k( 98) = ( 0.4479167 0.5000000 0.5000000), wk = 0.0032787 k( 99) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0032787 k( 100) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0032787 k( 101) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0032787 k( 102) = ( 0.4895833 0.5000000 0.5000000), wk = 0.0032787 k( 103) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 105) = ( 0.5000000 0.5128232 0.4868556), wk = 0.0032787 k( 106) = ( 0.5000000 0.5256463 0.4737112), wk = 0.0032787 k( 107) = ( 0.5000000 0.5256463 0.4737112), wk = 0.0032787 k( 108) = ( 0.5000000 0.5245777 0.4539733), wk = 0.0032787 k( 109) = ( 0.5000000 0.5235091 0.4342353), wk = 0.0032787 k( 110) = ( 0.5000000 0.5224405 0.4144973), wk = 0.0032787 k( 111) = ( 0.5000000 0.5213719 0.3947594), wk = 0.0032787 k( 112) = ( 0.5000000 0.5203033 0.3750214), wk = 0.0032787 k( 113) = ( 0.5000000 0.5192347 0.3552834), wk = 0.0032787 k( 114) = ( 0.5000000 0.5181661 0.3355454), wk = 0.0032787 k( 115) = ( 0.5000000 0.5170975 0.3158075), wk = 0.0032787 k( 116) = ( 0.5000000 0.5160289 0.2960695), wk = 0.0032787 k( 117) = ( 0.5000000 0.5149603 0.2763315), wk = 0.0032787 k( 118) = ( 0.5000000 0.5138917 0.2565936), wk = 0.0032787 k( 119) = ( 0.5000000 0.5128232 0.2368556), wk = 0.0032787 k( 120) = ( 0.5000000 0.5117546 0.2171176), wk = 0.0032787 k( 121) = ( 0.5000000 0.5106860 0.1973797), wk = 0.0032787 k( 122) = ( 0.5000000 0.5096174 0.1776417), wk = 0.0032787 k( 123) = ( 0.5000000 0.5085488 0.1579037), wk = 0.0032787 k( 124) = ( 0.5000000 0.5074802 0.1381658), wk = 0.0032787 k( 125) = ( 0.5000000 0.5064116 0.1184278), wk = 0.0032787 k( 126) = ( 0.5000000 0.5053430 0.0986898), wk = 0.0032787 k( 127) = ( 0.5000000 0.5042744 0.0789519), wk = 0.0032787 k( 128) = ( 0.5000000 0.5032058 0.0592139), wk = 0.0032787 k( 129) = ( 0.5000000 0.5021372 0.0394759), wk = 0.0032787 k( 130) = ( 0.5000000 0.5010686 0.0197380), wk = 0.0032787 k( 131) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032787 k( 132) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032787 k( 133) = ( 0.4895833 0.5000000 -0.0000000), wk = 0.0032787 k( 134) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0032787 k( 135) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0032787 k( 136) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0032787 k( 137) = ( 0.4479167 0.5000000 0.0000000), wk = 0.0032787 k( 138) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032787 k( 139) = ( 0.4270833 0.5000000 0.0000000), wk = 0.0032787 k( 140) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0032787 k( 141) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0032787 k( 142) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0032787 k( 143) = ( 0.3854167 0.5000000 -0.0000000), wk = 0.0032787 k( 144) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032787 k( 145) = ( 0.3645833 0.5000000 -0.0000000), wk = 0.0032787 k( 146) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0032787 k( 147) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0032787 k( 148) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0032787 k( 149) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0032787 k( 150) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032787 k( 151) = ( 0.3020833 0.5000000 0.0000000), wk = 0.0032787 k( 152) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0032787 k( 153) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0032787 k( 154) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0032787 k( 155) = ( 0.2604167 0.5000000 0.0000000), wk = 0.0032787 k( 156) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032787 k( 157) = ( 0.2395833 0.5000000 0.0000000), wk = 0.0032787 k( 158) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0032787 k( 159) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0032787 k( 160) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0032787 k( 161) = ( 0.1979167 0.5000000 0.0000000), wk = 0.0032787 k( 162) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032787 k( 163) = ( 0.1770833 0.5000000 0.0000000), wk = 0.0032787 k( 164) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0032787 k( 165) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0032787 k( 166) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0032787 k( 167) = ( 0.1354167 0.5000000 0.0000000), wk = 0.0032787 k( 168) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032787 k( 169) = ( 0.1145833 0.5000000 0.0000000), wk = 0.0032787 k( 170) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0032787 k( 171) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0032787 k( 172) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0032787 k( 173) = ( 0.0729167 0.5000000 0.0000000), wk = 0.0032787 k( 174) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032787 k( 175) = ( 0.0520833 0.5000000 0.0000000), wk = 0.0032787 k( 176) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0032787 k( 177) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0032787 k( 178) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0032787 k( 179) = ( 0.0104167 0.5000000 0.0000000), wk = 0.0032787 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032787 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032787 k( 182) = ( 0.0000000 0.5010686 0.0197380), wk = 0.0032787 k( 183) = ( 0.0000000 0.5021372 0.0394759), wk = 0.0032787 k( 184) = ( 0.0000000 0.5032058 0.0592139), wk = 0.0032787 k( 185) = ( 0.0000000 0.5042744 0.0789519), wk = 0.0032787 k( 186) = ( 0.0000000 0.5053430 0.0986898), wk = 0.0032787 k( 187) = ( 0.0000000 0.5064116 0.1184278), wk = 0.0032787 k( 188) = ( 0.0000000 0.5074802 0.1381658), wk = 0.0032787 k( 189) = ( 0.0000000 0.5085488 0.1579037), wk = 0.0032787 k( 190) = ( 0.0000000 0.5096174 0.1776417), wk = 0.0032787 k( 191) = ( 0.0000000 0.5106860 0.1973797), wk = 0.0032787 k( 192) = ( 0.0000000 0.5117546 0.2171176), wk = 0.0032787 k( 193) = ( 0.0000000 0.5128232 0.2368556), wk = 0.0032787 k( 194) = ( 0.0000000 0.5138917 0.2565936), wk = 0.0032787 k( 195) = ( 0.0000000 0.5149603 0.2763315), wk = 0.0032787 k( 196) = ( 0.0000000 0.5160289 0.2960695), wk = 0.0032787 k( 197) = ( 0.0000000 0.5170975 0.3158075), wk = 0.0032787 k( 198) = ( 0.0000000 0.5181661 0.3355454), wk = 0.0032787 k( 199) = ( 0.0000000 0.5192347 0.3552834), wk = 0.0032787 k( 200) = ( 0.0000000 0.5203033 0.3750214), wk = 0.0032787 k( 201) = ( 0.0000000 0.5213719 0.3947594), wk = 0.0032787 k( 202) = ( 0.0000000 0.5224405 0.4144973), wk = 0.0032787 k( 203) = ( 0.0000000 0.5235091 0.4342353), wk = 0.0032787 k( 204) = ( 0.0000000 0.5245777 0.4539733), wk = 0.0032787 k( 205) = ( 0.0000000 0.5256463 0.4737112), wk = 0.0032787 k( 206) = ( 0.5000000 0.4743537 0.5262888), wk = 0.0032787 k( 207) = ( 0.5000000 0.4545889 0.5251934), wk = 0.0032787 k( 208) = ( 0.5000000 0.4348242 0.5240980), wk = 0.0032787 k( 209) = ( 0.5000000 0.4150595 0.5230027), wk = 0.0032787 k( 210) = ( 0.5000000 0.3952947 0.5219073), wk = 0.0032787 k( 211) = ( 0.5000000 0.3755300 0.5208119), wk = 0.0032787 k( 212) = ( 0.5000000 0.3557653 0.5197166), wk = 0.0032787 k( 213) = ( 0.5000000 0.3360005 0.5186212), wk = 0.0032787 k( 214) = ( 0.5000000 0.3162358 0.5175258), wk = 0.0032787 k( 215) = ( 0.5000000 0.2964711 0.5164305), wk = 0.0032787 k( 216) = ( 0.5000000 0.2767063 0.5153351), wk = 0.0032787 k( 217) = ( 0.5000000 0.2569416 0.5142397), wk = 0.0032787 k( 218) = ( 0.5000000 0.2371768 0.5131444), wk = 0.0032787 k( 219) = ( 0.5000000 0.2174121 0.5120490), wk = 0.0032787 k( 220) = ( 0.5000000 0.1976474 0.5109536), wk = 0.0032787 k( 221) = ( 0.5000000 0.1778826 0.5098583), wk = 0.0032787 k( 222) = ( 0.5000000 0.1581179 0.5087629), wk = 0.0032787 k( 223) = ( 0.5000000 0.1383532 0.5076676), wk = 0.0032787 k( 224) = ( 0.5000000 0.1185884 0.5065722), wk = 0.0032787 k( 225) = ( 0.5000000 0.0988237 0.5054768), wk = 0.0032787 k( 226) = ( 0.5000000 0.0790590 0.5043815), wk = 0.0032787 k( 227) = ( 0.5000000 0.0592942 0.5032861), wk = 0.0032787 k( 228) = ( 0.5000000 0.0395295 0.5021907), wk = 0.0032787 k( 229) = ( 0.5000000 0.0197647 0.5010954), wk = 0.0032787 k( 230) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032787 k( 231) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032787 k( 232) = ( 0.5000000 -0.0000000 0.4800000), wk = 0.0032787 k( 233) = ( 0.5000000 -0.0000000 0.4600000), wk = 0.0032787 k( 234) = ( 0.5000000 -0.0000000 0.4400000), wk = 0.0032787 k( 235) = ( 0.5000000 -0.0000000 0.4200000), wk = 0.0032787 k( 236) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0032787 k( 237) = ( 0.5000000 -0.0000000 0.3800000), wk = 0.0032787 k( 238) = ( 0.5000000 -0.0000000 0.3600000), wk = 0.0032787 k( 239) = ( 0.5000000 -0.0000000 0.3400000), wk = 0.0032787 k( 240) = ( 0.5000000 -0.0000000 0.3200000), wk = 0.0032787 k( 241) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0032787 k( 242) = ( 0.5000000 -0.0000000 0.2800000), wk = 0.0032787 k( 243) = ( 0.5000000 -0.0000000 0.2600000), wk = 0.0032787 k( 244) = ( 0.5000000 -0.0000000 0.2400000), wk = 0.0032787 k( 245) = ( 0.5000000 -0.0000000 0.2200000), wk = 0.0032787 k( 246) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0032787 k( 247) = ( 0.5000000 -0.0000000 0.1800000), wk = 0.0032787 k( 248) = ( 0.5000000 -0.0000000 0.1600000), wk = 0.0032787 k( 249) = ( 0.5000000 -0.0000000 0.1400000), wk = 0.0032787 k( 250) = ( 0.5000000 -0.0000000 0.1200000), wk = 0.0032787 k( 251) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0032787 k( 252) = ( 0.5000000 -0.0000000 0.0800000), wk = 0.0032787 k( 253) = ( 0.5000000 -0.0000000 0.0600000), wk = 0.0032787 k( 254) = ( 0.5000000 -0.0000000 0.0400000), wk = 0.0032787 k( 255) = ( 0.5000000 -0.0000000 0.0200000), wk = 0.0032787 k( 256) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032787 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 258) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0032787 k( 259) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0032787 k( 260) = ( 0.0312500 -0.0000000 0.5000000), wk = 0.0032787 k( 261) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0032787 k( 262) = ( 0.0520833 -0.0000000 0.5000000), wk = 0.0032787 k( 263) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0032787 k( 264) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0032787 k( 265) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0032787 k( 266) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0032787 k( 267) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0032787 k( 268) = ( 0.1145833 0.0000000 0.5000000), wk = 0.0032787 k( 269) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0032787 k( 270) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0032787 k( 271) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0032787 k( 272) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0032787 k( 273) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0032787 k( 274) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0032787 k( 275) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0032787 k( 276) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0032787 k( 277) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0032787 k( 278) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0032787 k( 279) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0032787 k( 280) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0032787 k( 281) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032787 k( 282) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0032787 k( 283) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0032787 k( 284) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0032787 k( 285) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0032787 k( 286) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0032787 k( 287) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0032787 k( 288) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0032787 k( 289) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0032787 k( 290) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0032787 k( 291) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0032787 k( 292) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0032787 k( 293) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0032787 k( 294) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0032787 k( 295) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0032787 k( 296) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0032787 k( 297) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0032787 k( 298) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0032787 k( 299) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0032787 k( 300) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0032787 k( 301) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0032787 k( 302) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0032787 k( 303) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0032787 k( 304) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0032787 k( 305) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032787 Dense grid: 133901 G-vectors FFT dimensions: ( 45, 80, 80) Smooth grid: 33287 G-vectors FFT dimensions: ( 25, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 188, 68) NL pseudopotentials 0.28 Mb ( 94, 192) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2792) G-vector shells 0.02 Mb ( 2753) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 188, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.40 Mb ( 192, 2, 68) The potential is recalculated from file : ./AlAu.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 45.6 secs Computing kpt #: 2 total cpu time spent up to now is 50.2 secs Computing kpt #: 3 total cpu time spent up to now is 54.7 secs Computing kpt #: 4 total cpu time spent up to now is 59.4 secs Computing kpt #: 5 total cpu time spent up to now is 64.1 secs Computing kpt #: 6 total cpu time spent up to now is 69.0 secs Computing kpt #: 7 total cpu time spent up to now is 73.8 secs Computing kpt #: 8 total cpu time spent up to now is 78.3 secs Computing kpt #: 9 total cpu time spent up to now is 83.3 secs Computing kpt #: 10 total cpu time spent up to now is 88.3 secs Computing kpt #: 11 total cpu time spent up to now is 93.3 secs Computing kpt #: 12 total cpu time spent up to now is 98.0 secs Computing kpt #: 13 total cpu time spent up to now is 102.5 secs Computing kpt #: 14 total cpu time spent up to now is 107.3 secs Computing kpt #: 15 total cpu time spent up to now is 111.9 secs Computing kpt #: 16 total cpu time spent up to now is 116.2 secs Computing kpt #: 17 total cpu time spent up to now is 120.9 secs Computing kpt #: 18 total cpu time spent up to now is 125.0 secs Computing kpt #: 19 total cpu time spent up to now is 129.3 secs Computing kpt #: 20 total cpu time spent up to now is 133.4 secs Computing kpt #: 21 total cpu time spent up to now is 137.6 secs Computing kpt #: 22 total cpu time spent up to now is 141.7 secs Computing kpt #: 23 total cpu time spent up to now is 145.6 secs Computing kpt #: 24 total cpu time spent up to now is 149.6 secs Computing kpt #: 25 total cpu time spent up to now is 153.5 secs Computing kpt #: 26 total cpu time spent up to now is 157.3 secs Computing kpt #: 27 total cpu time spent up to now is 161.1 secs Computing kpt #: 28 total cpu time spent up to now is 165.0 secs Computing kpt #: 29 total cpu time spent up to now is 168.9 secs Computing kpt #: 30 total cpu time spent up to now is 172.9 secs Computing kpt #: 31 total cpu time spent up to now is 177.0 secs Computing kpt #: 32 total cpu time spent up to now is 181.3 secs Computing kpt #: 33 total cpu time spent up to now is 185.7 secs Computing kpt #: 34 total cpu time spent up to now is 190.4 secs Computing kpt #: 35 total cpu time spent up to now is 195.3 secs Computing kpt #: 36 total cpu time spent up to now is 199.8 secs Computing kpt #: 37 total cpu time spent up to now is 204.5 secs Computing kpt #: 38 total cpu time spent up to now is 209.2 secs Computing kpt #: 39 total cpu time spent up to now is 213.8 secs Computing kpt #: 40 total cpu time spent up to now is 218.4 secs Computing kpt #: 41 total cpu time spent up to now is 222.8 secs Computing kpt #: 42 total cpu time spent up to now is 227.1 secs Computing kpt #: 43 total cpu time spent up to now is 231.3 secs Computing kpt #: 44 total cpu time spent up to now is 235.6 secs Computing kpt #: 45 total cpu time spent up to now is 240.0 secs Computing kpt #: 46 total cpu time spent up to now is 244.5 secs Computing kpt #: 47 total cpu time spent up to now is 249.1 secs Computing kpt #: 48 total cpu time spent up to now is 253.7 secs Computing kpt #: 49 total cpu time spent up to now is 259.1 secs Computing kpt #: 50 total cpu time spent up to now is 265.8 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.5 secs Computing kpt #: 52 total cpu time spent up to now is 280.4 secs Computing kpt #: 53 total cpu time spent up to now is 286.2 secs Computing kpt #: 54 total cpu time spent up to now is 293.6 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.2 secs Computing kpt #: 56 total cpu time spent up to now is 308.1 secs Computing kpt #: 57 total cpu time spent up to now is 314.8 secs Computing kpt #: 58 total cpu time spent up to now is 320.2 secs Computing kpt #: 59 total cpu time spent up to now is 327.4 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.0 secs Computing kpt #: 61 total cpu time spent up to now is 339.9 secs Computing kpt #: 62 total cpu time spent up to now is 344.7 secs Computing kpt #: 63 total cpu time spent up to now is 349.6 secs Computing kpt #: 64 total cpu time spent up to now is 354.8 secs Computing kpt #: 65 total cpu time spent up to now is 359.8 secs Computing kpt #: 66 total cpu time spent up to now is 364.8 secs Computing kpt #: 67 total cpu time spent up to now is 369.5 secs Computing kpt #: 68 total cpu time spent up to now is 374.6 secs Computing kpt #: 69 total cpu time spent up to now is 379.2 secs Computing kpt #: 70 total cpu time spent up to now is 383.8 secs Computing kpt #: 71 total cpu time spent up to now is 388.4 secs Computing kpt #: 72 total cpu time spent up to now is 392.9 secs Computing kpt #: 73 total cpu time spent up to now is 397.7 secs Computing kpt #: 74 total cpu time spent up to now is 402.2 secs Computing kpt #: 75 total cpu time spent up to now is 406.7 secs Computing kpt #: 76 total cpu time spent up to now is 411.0 secs Computing kpt #: 77 total cpu time spent up to now is 415.3 secs Computing kpt #: 78 total cpu time spent up to now is 419.6 secs Computing kpt #: 79 total cpu time spent up to now is 424.2 secs Computing kpt #: 80 total cpu time spent up to now is 428.7 secs Computing kpt #: 81 total cpu time spent up to now is 433.2 secs Computing kpt #: 82 total cpu time spent up to now is 437.6 secs Computing kpt #: 83 total cpu time spent up to now is 442.1 secs Computing kpt #: 84 total cpu time spent up to now is 446.5 secs Computing kpt #: 85 total cpu time spent up to now is 450.9 secs Computing kpt #: 86 total cpu time spent up to now is 455.3 secs Computing kpt #: 87 total cpu time spent up to now is 459.6 secs Computing kpt #: 88 total cpu time spent up to now is 464.0 secs Computing kpt #: 89 total cpu time spent up to now is 468.7 secs Computing kpt #: 90 total cpu time spent up to now is 473.0 secs Computing kpt #: 91 total cpu time spent up to now is 477.4 secs Computing kpt #: 92 total cpu time spent up to now is 481.7 secs Computing kpt #: 93 total cpu time spent up to now is 486.0 secs Computing kpt #: 94 total cpu time spent up to now is 490.4 secs Computing kpt #: 95 total cpu time spent up to now is 494.8 secs Computing kpt #: 96 total cpu time spent up to now is 499.2 secs Computing kpt #: 97 total cpu time spent up to now is 503.5 secs Computing kpt #: 98 total cpu time spent up to now is 507.9 secs Computing kpt #: 99 total cpu time spent up to now is 512.6 secs Computing kpt #: 100 total cpu time spent up to now is 516.9 secs Computing kpt #: 101 total cpu time spent up to now is 521.2 secs Computing kpt #: 102 total cpu time spent up to now is 525.5 secs Computing kpt #: 103 total cpu time spent up to now is 529.8 secs Computing kpt #: 104 total cpu time spent up to now is 534.1 secs Computing kpt #: 105 total cpu time spent up to now is 538.4 secs Computing kpt #: 106 total cpu time spent up to now is 542.7 secs Computing kpt #: 107 total cpu time spent up to now is 547.0 secs Computing kpt #: 108 total cpu time spent up to now is 551.4 secs Computing kpt #: 109 total cpu time spent up to now is 555.9 secs Computing kpt #: 110 total cpu time spent up to now is 560.3 secs Computing kpt #: 111 total cpu time spent up to now is 564.9 secs Computing kpt #: 112 total cpu time spent up to now is 569.6 secs Computing kpt #: 113 total cpu time spent up to now is 573.9 secs Computing kpt #: 114 total cpu time spent up to now is 578.2 secs Computing kpt #: 115 total cpu time spent up to now is 582.4 secs Computing kpt #: 116 total cpu time spent up to now is 586.7 secs Computing kpt #: 117 total cpu time spent up to now is 590.7 secs Computing kpt #: 118 total cpu time spent up to now is 594.8 secs Computing kpt #: 119 total cpu time spent up to now is 598.9 secs Computing kpt #: 120 total cpu time spent up to now is 602.9 secs Computing kpt #: 121 total cpu time spent up to now is 607.0 secs Computing kpt #: 122 total cpu time spent up to now is 610.8 secs Computing kpt #: 123 total cpu time spent up to now is 614.7 secs Computing kpt #: 124 total cpu time spent up to now is 618.8 secs Computing kpt #: 125 total cpu time spent up to now is 622.7 secs Computing kpt #: 126 total cpu time spent up to now is 626.6 secs Computing kpt #: 127 total cpu time spent up to now is 630.6 secs Computing kpt #: 128 total cpu time spent up to now is 634.5 secs Computing kpt #: 129 total cpu time spent up to now is 638.4 secs Computing kpt #: 130 total cpu time spent up to now is 642.2 secs Computing kpt #: 131 total cpu time spent up to now is 646.1 secs Computing kpt #: 132 total cpu time spent up to now is 650.1 secs Computing kpt #: 133 total cpu time spent up to now is 654.0 secs Computing kpt #: 134 total cpu time spent up to now is 657.9 secs Computing kpt #: 135 total cpu time spent up to now is 661.9 secs Computing kpt #: 136 total cpu time spent up to now is 665.8 secs Computing kpt #: 137 total cpu time spent up to now is 669.9 secs Computing kpt #: 138 total cpu time spent up to now is 673.9 secs Computing kpt #: 139 total cpu time spent up to now is 677.9 secs Computing kpt #: 140 total cpu time spent up to now is 681.7 secs Computing kpt #: 141 total cpu time spent up to now is 685.5 secs Computing kpt #: 142 total cpu time spent up to now is 689.4 secs Computing kpt #: 143 total cpu time spent up to now is 693.2 secs Computing kpt #: 144 total cpu time spent up to now is 697.0 secs Computing kpt #: 145 total cpu time spent up to now is 701.2 secs Computing kpt #: 146 total cpu time spent up to now is 705.3 secs Computing kpt #: 147 total cpu time spent up to now is 709.2 secs Computing kpt #: 148 total cpu time spent up to now is 713.3 secs Computing kpt #: 149 total cpu time spent up to now is 717.5 secs Computing kpt #: 150 total cpu time spent up to now is 721.8 secs Computing kpt #: 151 total cpu time spent up to now is 726.4 secs Computing kpt #: 152 total cpu time spent up to now is 730.7 secs Computing kpt #: 153 total cpu time spent up to now is 735.2 secs Computing kpt #: 154 total cpu time spent up to now is 740.0 secs Computing kpt #: 155 total cpu time spent up to now is 744.6 secs Computing kpt #: 156 total cpu time spent up to now is 749.4 secs Computing kpt #: 157 total cpu time spent up to now is 754.0 secs Computing kpt #: 158 total cpu time spent up to now is 758.4 secs Computing kpt #: 159 total cpu time spent up to now is 762.9 secs Computing kpt #: 160 total cpu time spent up to now is 767.3 secs Computing kpt #: 161 total cpu time spent up to now is 771.8 secs Computing kpt #: 162 total cpu time spent up to now is 776.1 secs Computing kpt #: 163 total cpu time spent up to now is 780.6 secs Computing kpt #: 164 total cpu time spent up to now is 785.0 secs Computing kpt #: 165 total cpu time spent up to now is 789.8 secs Computing kpt #: 166 total cpu time spent up to now is 794.2 secs Computing kpt #: 167 total cpu time spent up to now is 798.7 secs Computing kpt #: 168 total cpu time spent up to now is 803.0 secs Computing kpt #: 169 total cpu time spent up to now is 807.2 secs Computing kpt #: 170 total cpu time spent up to now is 811.4 secs Computing kpt #: 171 total cpu time spent up to now is 815.6 secs Computing kpt #: 172 total cpu time spent up to now is 819.7 secs Computing kpt #: 173 total cpu time spent up to now is 823.8 secs Computing kpt #: 174 total cpu time spent up to now is 828.1 secs Computing kpt #: 175 total cpu time spent up to now is 832.2 secs Computing kpt #: 176 total cpu time spent up to now is 836.3 secs Computing kpt #: 177 total cpu time spent up to now is 840.5 secs Computing kpt #: 178 total cpu time spent up to now is 844.6 secs Computing kpt #: 179 total cpu time spent up to now is 848.8 secs Computing kpt #: 180 total cpu time spent up to now is 853.0 secs Computing kpt #: 181 total cpu time spent up to now is 857.1 secs Computing kpt #: 182 total cpu time spent up to now is 861.3 secs Computing kpt #: 183 total cpu time spent up to now is 865.5 secs Computing kpt #: 184 total cpu time spent up to now is 869.9 secs Computing kpt #: 185 total cpu time spent up to now is 874.8 secs Computing kpt #: 186 total cpu time spent up to now is 879.8 secs Computing kpt #: 187 total cpu time spent up to now is 884.7 secs Computing kpt #: 188 total cpu time spent up to now is 889.5 secs Computing kpt #: 189 total cpu time spent up to now is 894.7 secs Computing kpt #: 190 total cpu time spent up to now is 899.3 secs Computing kpt #: 191 total cpu time spent up to now is 904.0 secs Computing kpt #: 192 total cpu time spent up to now is 908.6 secs Computing kpt #: 193 total cpu time spent up to now is 912.9 secs Computing kpt #: 194 total cpu time spent up to now is 917.5 secs Computing kpt #: 195 total cpu time spent up to now is 922.0 secs Computing kpt #: 196 total cpu time spent up to now is 926.5 secs Computing kpt #: 197 total cpu time spent up to now is 931.0 secs Computing kpt #: 198 total cpu time spent up to now is 935.6 secs Computing kpt #: 199 total cpu time spent up to now is 939.9 secs Computing kpt #: 200 total cpu time spent up to now is 944.2 secs Computing kpt #: 201 total cpu time spent up to now is 949.1 secs Computing kpt #: 202 total cpu time spent up to now is 953.7 secs Computing kpt #: 203 total cpu time spent up to now is 958.5 secs Computing kpt #: 204 total cpu time spent up to now is 963.8 secs Computing kpt #: 205 total cpu time spent up to now is 971.2 secs Computing kpt #: 206 total cpu time spent up to now is 975.6 secs Computing kpt #: 207 total cpu time spent up to now is 979.8 secs Computing kpt #: 208 total cpu time spent up to now is 984.3 secs Computing kpt #: 209 total cpu time spent up to now is 988.7 secs Computing kpt #: 210 total cpu time spent up to now is 993.0 secs Computing kpt #: 211 total cpu time spent up to now is 997.3 secs Computing kpt #: 212 total cpu time spent up to now is 1001.5 secs Computing kpt #: 213 total cpu time spent up to now is 1005.7 secs Computing kpt #: 214 total cpu time spent up to now is 1009.9 secs Computing kpt #: 215 total cpu time spent up to now is 1014.1 secs Computing kpt #: 216 total cpu time spent up to now is 1018.2 secs Computing kpt #: 217 total cpu time spent up to now is 1022.2 secs Computing kpt #: 218 total cpu time spent up to now is 1026.3 secs Computing kpt #: 219 total cpu time spent up to now is 1030.2 secs Computing kpt #: 220 total cpu time spent up to now is 1034.2 secs Computing kpt #: 221 total cpu time spent up to now is 1038.6 secs Computing kpt #: 222 total cpu time spent up to now is 1042.5 secs Computing kpt #: 223 total cpu time spent up to now is 1046.4 secs Computing kpt #: 224 total cpu time spent up to now is 1050.4 secs Computing kpt #: 225 total cpu time spent up to now is 1054.3 secs Computing kpt #: 226 total cpu time spent up to now is 1058.5 secs Computing kpt #: 227 total cpu time spent up to now is 1062.5 secs Computing kpt #: 228 total cpu time spent up to now is 1066.3 secs Computing kpt #: 229 total cpu time spent up to now is 1070.2 secs Computing kpt #: 230 total cpu time spent up to now is 1074.1 secs Computing kpt #: 231 total cpu time spent up to now is 1078.0 secs Computing kpt #: 232 total cpu time spent up to now is 1081.8 secs Computing kpt #: 233 total cpu time spent up to now is 1085.7 secs Computing kpt #: 234 total cpu time spent up to now is 1089.6 secs Computing kpt #: 235 total cpu time spent up to now is 1093.3 secs Computing kpt #: 236 total cpu time spent up to now is 1097.0 secs Computing kpt #: 237 total cpu time spent up to now is 1100.6 secs Computing kpt #: 238 total cpu time spent up to now is 1104.2 secs Computing kpt #: 239 total cpu time spent up to now is 1107.7 secs Computing kpt #: 240 total cpu time spent up to now is 1111.3 secs Computing kpt #: 241 total cpu time spent up to now is 1114.9 secs Computing kpt #: 242 total cpu time spent up to now is 1118.6 secs Computing kpt #: 243 total cpu time spent up to now is 1122.3 secs Computing kpt #: 244 total cpu time spent up to now is 1126.0 secs Computing kpt #: 245 total cpu time spent up to now is 1129.7 secs Computing kpt #: 246 total cpu time spent up to now is 1133.6 secs Computing kpt #: 247 total cpu time spent up to now is 1137.5 secs Computing kpt #: 248 total cpu time spent up to now is 1141.5 secs Computing kpt #: 249 total cpu time spent up to now is 1145.5 secs Computing kpt #: 250 total cpu time spent up to now is 1149.5 secs Computing kpt #: 251 total cpu time spent up to now is 1153.6 secs Computing kpt #: 252 total cpu time spent up to now is 1157.7 secs Computing kpt #: 253 total cpu time spent up to now is 1161.9 secs Computing kpt #: 254 total cpu time spent up to now is 1166.0 secs Computing kpt #: 255 total cpu time spent up to now is 1170.3 secs Computing kpt #: 256 total cpu time spent up to now is 1174.6 secs Computing kpt #: 257 total cpu time spent up to now is 1178.4 secs Computing kpt #: 258 total cpu time spent up to now is 1182.3 secs Computing kpt #: 259 total cpu time spent up to now is 1186.1 secs Computing kpt #: 260 total cpu time spent up to now is 1189.9 secs Computing kpt #: 261 total cpu time spent up to now is 1193.7 secs Computing kpt #: 262 total cpu time spent up to now is 1197.5 secs Computing kpt #: 263 total cpu time spent up to now is 1201.3 secs Computing kpt #: 264 total cpu time spent up to now is 1205.2 secs Computing kpt #: 265 total cpu time spent up to now is 1209.0 secs Computing kpt #: 266 total cpu time spent up to now is 1212.8 secs Computing kpt #: 267 total cpu time spent up to now is 1216.9 secs Computing kpt #: 268 total cpu time spent up to now is 1220.9 secs Computing kpt #: 269 total cpu time spent up to now is 1225.0 secs Computing kpt #: 270 total cpu time spent up to now is 1229.5 secs Computing kpt #: 271 total cpu time spent up to now is 1233.9 secs Computing kpt #: 272 total cpu time spent up to now is 1238.4 secs Computing kpt #: 273 total cpu time spent up to now is 1243.4 secs Computing kpt #: 274 total cpu time spent up to now is 1248.2 secs Computing kpt #: 275 total cpu time spent up to now is 1252.8 secs Computing kpt #: 276 total cpu time spent up to now is 1257.4 secs Computing kpt #: 277 total cpu time spent up to now is 1262.2 secs Computing kpt #: 278 total cpu time spent up to now is 1267.0 secs Computing kpt #: 279 total cpu time spent up to now is 1271.8 secs Computing kpt #: 280 total cpu time spent up to now is 1276.5 secs Computing kpt #: 281 total cpu time spent up to now is 1281.1 secs Computing kpt #: 282 total cpu time spent up to now is 1285.9 secs Computing kpt #: 283 total cpu time spent up to now is 1290.7 secs Computing kpt #: 284 total cpu time spent up to now is 1295.6 secs Computing kpt #: 285 total cpu time spent up to now is 1300.4 secs Computing kpt #: 286 total cpu time spent up to now is 1305.1 secs Computing kpt #: 287 total cpu time spent up to now is 1309.5 secs Computing kpt #: 288 total cpu time spent up to now is 1313.7 secs Computing kpt #: 289 total cpu time spent up to now is 1317.8 secs Computing kpt #: 290 total cpu time spent up to now is 1321.8 secs Computing kpt #: 291 total cpu time spent up to now is 1325.7 secs Computing kpt #: 292 total cpu time spent up to now is 1329.5 secs Computing kpt #: 293 total cpu time spent up to now is 1333.2 secs Computing kpt #: 294 total cpu time spent up to now is 1336.9 secs Computing kpt #: 295 total cpu time spent up to now is 1340.6 secs Computing kpt #: 296 total cpu time spent up to now is 1344.1 secs Computing kpt #: 297 total cpu time spent up to now is 1347.8 secs Computing kpt #: 298 total cpu time spent up to now is 1351.5 secs Computing kpt #: 299 total cpu time spent up to now is 1355.3 secs Computing kpt #: 300 total cpu time spent up to now is 1359.0 secs Computing kpt #: 301 total cpu time spent up to now is 1362.9 secs Computing kpt #: 302 total cpu time spent up to now is 1366.7 secs Computing kpt #: 303 total cpu time spent up to now is 1370.6 secs Computing kpt #: 304 total cpu time spent up to now is 1374.7 secs Computing kpt #: 305 total cpu time spent up to now is 1378.6 secs ethr = 1.79E-11, avg # of iterations = 38.5 total cpu time spent up to now is 1378.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): 1.3818 1.3818 3.9470 3.9470 4.1733 4.1733 4.8749 4.8749 5.3807 5.3807 5.3989 5.3989 5.5149 5.5149 5.5836 5.5836 5.7387 5.7387 5.9317 5.9317 6.0655 6.0655 6.2708 6.2708 6.4937 6.4937 6.7016 6.7016 6.9001 6.9001 7.2171 7.2171 7.4795 7.4795 7.5526 7.5526 7.5936 7.5936 7.8247 7.8247 8.0706 8.0706 8.1157 8.1157 8.3652 8.3652 8.6535 8.6535 8.9999 8.9999 9.6085 9.6085 10.4055 10.4055 10.8316 10.8316 13.6570 13.6570 14.7084 14.7084 16.4027 16.4027 18.0370 18.0370 18.2159 18.2159 18.2332 18.2332 k = 0.0000 0.0000 0.0104 ( 4169 PWs) bands (ev): 1.3835 1.3835 3.9425 3.9425 4.1739 4.1739 4.8755 4.8755 5.3706 5.3706 5.4041 5.4041 5.5143 5.5143 5.5842 5.5842 5.7379 5.7379 5.9304 5.9304 6.0677 6.0677 6.2740 6.2740 6.4986 6.4986 6.7003 6.7003 6.9011 6.9011 7.2167 7.2167 7.4795 7.4795 7.5526 7.5526 7.5942 7.5942 7.8250 7.8250 8.0705 8.0705 8.1145 8.1145 8.3658 8.3658 8.6531 8.6531 9.0047 9.0047 9.6036 9.6036 10.3656 10.3656 10.8763 10.8763 13.6621 13.6621 14.7109 14.7109 16.3856 16.3856 18.0331 18.0331 18.2028 18.2028 18.2455 18.2455 k = 0.0000 0.0000 0.0208 ( 4170 PWs) bands (ev): 1.3884 1.3884 3.9293 3.9293 4.1759 4.1759 4.8771 4.8771 5.3496 5.3496 5.4105 5.4105 5.5129 5.5129 5.5861 5.5861 5.7357 5.7357 5.9270 5.9270 6.0732 6.0732 6.2833 6.2833 6.5130 6.5130 6.6966 6.6966 6.9041 6.9041 7.2156 7.2156 7.4794 7.4794 7.5526 7.5526 7.5960 7.5960 7.8259 7.8259 8.0703 8.0703 8.1109 8.1109 8.3675 8.3675 8.6520 8.6520 9.0190 9.0190 9.5890 9.5890 10.2756 10.2756 10.9807 10.9807 13.6773 13.6773 14.7184 14.7184 16.3356 16.3356 18.0212 18.0212 18.1829 18.1829 18.2629 18.2629 k = 0.0000 0.0000 0.0313 ( 4162 PWs) bands (ev): 1.3967 1.3967 3.9075 3.9075 4.1792 4.1792 4.8798 4.8798 5.3215 5.3215 5.4143 5.4143 5.5120 5.5120 5.5890 5.5890 5.7329 5.7329 5.9228 5.9228 6.0801 6.0801 6.2980 6.2980 6.5360 6.5360 6.6910 6.6910 6.9088 6.9088 7.2140 7.2140 7.4791 7.4791 7.5527 7.5527 7.5990 7.5990 7.8274 7.8274 8.0697 8.0697 8.1054 8.1054 8.3702 8.3702 8.6502 8.6502 9.0423 9.0423 9.5647 9.5647 10.1699 10.1699 11.1110 11.1110 13.7022 13.7022 14.7309 14.7309 16.2557 16.2557 18.0013 18.0013 18.1610 18.1610 18.2800 18.2800 k = 0.0000 0.0000 0.0417 ( 4167 PWs) bands (ev): 1.4082 1.4082 3.8775 3.8775 4.1838 4.1838 4.8832 4.8832 5.2873 5.2873 5.4158 5.4158 5.5127 5.5127 5.5929 5.5929 5.7302 5.7302 5.9187 5.9187 6.0868 6.0868 6.3171 6.3171 6.5654 6.5654 6.6845 6.6845 6.9151 6.9151 7.2119 7.2119 7.4785 7.4785 7.5530 7.5530 7.6030 7.6030 7.8294 7.8294 8.0683 8.0683 8.0986 8.0986 8.3737 8.3737 8.6480 8.6480 9.0741 9.0741 9.5307 9.5307 10.0628 10.0628 11.2535 11.2535 13.7367 13.7367 14.7482 14.7482 16.1502 16.1502 17.9728 17.9728 18.1374 18.1374 18.2961 18.2961 k = 0.0000 0.0000 0.0521 ( 4160 PWs) bands (ev): 1.4230 1.4230 3.8397 3.8397 4.1896 4.1896 4.8873 4.8873 5.2482 5.2482 5.4152 5.4152 5.5155 5.5155 5.5977 5.5977 5.7281 5.7281 5.9149 5.9149 6.0925 6.0925 6.3394 6.3394 6.5969 6.5969 6.6800 6.6800 6.9225 6.9225 7.2097 7.2097 7.4774 7.4774 7.5538 7.5538 7.6079 7.6079 7.8318 7.8318 8.0647 8.0647 8.0923 8.0923 8.3780 8.3780 8.6455 8.6455 9.1130 9.1130 9.4879 9.4879 9.9603 9.9603 11.4030 11.4030 13.7800 13.7800 14.7705 14.7705 16.0237 16.0237 17.9352 17.9352 18.1111 18.1111 18.3108 18.3108 k = 0.0000 0.0000 0.0625 ( 4159 PWs) bands (ev): 1.4411 1.4411 3.7946 3.7946 4.1965 4.1965 4.8918 4.8918 5.2062 5.2062 5.4132 5.4132 5.5201 5.5201 5.6032 5.6032 5.7267 5.7267 5.9117 5.9117 6.0975 6.0975 6.3642 6.3642 6.6191 6.6191 6.6872 6.6872 6.9308 6.9308 7.2074 7.2074 7.4755 7.4755 7.5553 7.5553 7.6135 7.6135 7.8345 7.8345 8.0572 8.0572 8.0887 8.0887 8.3829 8.3829 8.6428 8.6428 9.1558 9.1558 9.4385 9.4385 9.8659 9.8659 11.5570 11.5570 13.8315 13.8315 14.7975 14.7975 15.8812 15.8812 17.8881 17.8881 18.0806 18.0806 18.3233 18.3233 k = 0.0000 0.0000 0.0729 ( 4162 PWs) bands (ev): 1.4625 1.4625 3.7430 3.7430 4.2045 4.2045 4.8962 4.8962 5.1630 5.1630 5.4100 5.4100 5.5262 5.5262 5.6092 5.6092 5.7260 5.7260 5.9088 5.9088 6.1018 6.1018 6.3910 6.3910 6.6206 6.6206 6.7156 6.7156 6.9398 6.9398 7.2056 7.2056 7.4727 7.4727 7.5578 7.5578 7.6196 7.6196 7.8375 7.8375 8.0453 8.0453 8.0886 8.0886 8.3880 8.3880 8.6400 8.6400 9.1929 9.1929 9.3913 9.3913 9.7822 9.7822 11.7141 11.7141 13.8902 13.8902 14.8292 14.8292 15.7270 15.7270 17.8318 17.8318 18.0425 18.0425 18.3322 18.3322 k = 0.0000 0.0000 0.0833 ( 4168 PWs) bands (ev): 1.4870 1.4870 3.6853 3.6853 4.2136 4.2136 4.8998 4.8998 5.1207 5.1207 5.4061 5.4061 5.5336 5.5336 5.6157 5.6157 5.7261 5.7261 5.9062 5.9062 6.1059 6.1059 6.4193 6.4193 6.6103 6.6103 6.7547 6.7547 6.9493 6.9493 7.2043 7.2043 7.4689 7.4689 7.5615 7.5615 7.6261 7.6261 7.8406 7.8406 8.0303 8.0303 8.0911 8.0911 8.3934 8.3934 8.6370 8.6370 9.1967 9.1967 9.3716 9.3716 9.7128 9.7128 11.8732 11.8732 13.9548 13.9548 14.8656 14.8656 15.5656 15.5656 17.7669 17.7669 17.9922 17.9922 18.3351 18.3351 k = 0.0000 0.0000 0.0938 ( 4160 PWs) bands (ev): 1.5148 1.5148 3.6224 3.6224 4.2236 4.2236 4.9014 4.9014 5.0816 5.0816 5.4013 5.4013 5.5419 5.5419 5.6226 5.6226 5.7267 5.7267 5.9038 5.9038 6.1100 6.1100 6.4490 6.4490 6.5958 6.5958 6.7956 6.7956 6.9593 6.9593 7.2038 7.2038 7.4642 7.4642 7.5664 7.5664 7.6327 7.6327 7.8437 7.8437 8.0132 8.0132 8.0955 8.0955 8.3989 8.3989 8.6338 8.6338 9.1497 9.1497 9.3891 9.3891 9.6668 9.6668 12.0332 12.0332 14.0236 14.0236 14.9063 14.9063 15.4014 15.4014 17.6940 17.6940 17.9246 17.9246 18.3266 18.3266 k = 0.0000 0.0000 0.1042 ( 4165 PWs) bands (ev): 1.5457 1.5457 3.5549 3.5549 4.2345 4.2345 4.8986 4.8986 5.0486 5.0486 5.3959 5.3959 5.5509 5.5509 5.6296 5.6296 5.7278 5.7278 5.9015 5.9015 6.1142 6.1142 6.4795 6.4795 6.5795 6.5795 6.8351 6.8351 6.9699 6.9699 7.2045 7.2045 7.4586 7.4586 7.5725 7.5725 7.6394 7.6394 7.8467 7.8467 7.9945 7.9945 8.1017 8.1017 8.4043 8.4043 8.6302 8.6302 9.0777 9.0777 9.3983 9.3983 9.6647 9.6647 12.1929 12.1929 14.0936 14.0936 14.9512 14.9512 15.2400 15.2400 17.6141 17.6141 17.8356 17.8356 18.2975 18.2975 k = 0.0000 0.0000 0.1146 ( 4174 PWs) bands (ev): 1.5798 1.5798 3.4834 3.4834 4.2463 4.2463 4.8882 4.8882 5.0256 5.0256 5.3897 5.3897 5.5605 5.5605 5.6366 5.6366 5.7292 5.7292 5.8993 5.8993 6.1187 6.1187 6.5094 6.5094 6.5634 6.5634 6.8712 6.8712 6.9812 6.9812 7.2064 7.2064 7.4525 7.4525 7.5796 7.5796 7.6459 7.6459 7.8496 7.8496 7.9746 7.9746 8.1097 8.1097 8.4096 8.4096 8.6259 8.6259 8.9982 8.9982 9.3723 9.3723 9.7170 9.7170 12.3506 12.3506 14.1595 14.1595 14.9981 14.9981 15.0910 15.0910 17.5278 17.5278 17.7249 17.7249 18.2401 18.2401 k = 0.0000 0.0000 0.1250 ( 4177 PWs) bands (ev): 1.6170 1.6170 3.4087 3.4087 4.2587 4.2587 4.8684 4.8684 5.0148 5.0148 5.3826 5.3826 5.5704 5.5704 5.6436 5.6436 5.7310 5.7310 5.8971 5.8971 6.1235 6.1235 6.5271 6.5271 6.5593 6.5593 6.9025 6.9025 6.9939 6.9939 7.2096 7.2096 7.4462 7.4462 7.5876 7.5876 7.6521 7.6521 7.8523 7.8523 7.9538 7.9538 8.1193 8.1193 8.4145 8.4145 8.6202 8.6202 8.9181 8.9181 9.3239 9.3239 9.8052 9.8052 12.5040 12.5040 14.2116 14.2116 14.9549 14.9549 15.0591 15.0591 17.4356 17.4356 17.5959 17.5959 18.1584 18.1584 k = 0.0000 0.0000 0.1354 ( 4178 PWs) bands (ev): 1.6572 1.6572 3.3314 3.3314 4.2718 4.2718 4.8412 4.8412 5.0141 5.0141 5.3747 5.3747 5.5807 5.5807 5.6505 5.6505 5.7329 5.7329 5.8949 5.8949 6.1287 6.1287 6.5150 6.5150 6.5847 6.5847 6.9279 6.9279 7.0085 7.0085 7.2141 7.2141 7.4400 7.4400 7.5963 7.5963 7.6581 7.6581 7.8547 7.8547 7.9326 7.9326 8.1305 8.1305 8.4189 8.4189 8.6119 8.6119 8.8417 8.8417 9.2668 9.2668 9.9133 9.9133 12.6493 12.6493 14.2334 14.2334 14.8720 14.8720 15.1147 15.1147 17.3366 17.3366 17.4548 17.4548 18.0583 18.0583 k = 0.0000 0.0000 0.1458 ( 4185 PWs) bands (ev): 1.7004 1.7004 3.2522 3.2522 4.2854 4.2854 4.8105 4.8105 5.0199 5.0199 5.3659 5.3659 5.5911 5.5911 5.6571 5.6571 5.7350 5.7350 5.8927 5.8927 6.1343 6.1343 6.4960 6.4960 6.6169 6.6169 6.9469 6.9469 7.0254 7.0254 7.2196 7.2196 7.4346 7.4346 7.6053 7.6053 7.6636 7.6636 7.8561 7.8561 7.9117 7.9117 8.1433 8.1433 8.4226 8.4226 8.5983 8.5983 8.7737 8.7737 9.2063 9.2063 10.0347 10.0347 12.7800 12.7800 14.2116 14.2116 14.8507 14.8507 15.1756 15.1756 17.2260 17.2260 17.3115 17.3115 17.9432 17.9432 k = 0.0000 0.0000 0.1563 ( 4187 PWs) bands (ev): 1.7466 1.7466 3.1716 3.1716 4.2996 4.2996 4.7787 4.7787 5.0298 5.0298 5.3561 5.3561 5.6015 5.6015 5.6633 5.6633 5.7371 5.7371 5.8905 5.8905 6.1404 6.1404 6.4757 6.4757 6.6499 6.6499 6.9599 6.9599 7.0440 7.0440 7.2257 7.2257 7.4305 7.4305 7.6145 7.6145 7.6687 7.6687 7.8548 7.8548 7.8934 7.8934 8.1573 8.1573 8.4250 8.4250 8.5742 8.5742 8.7209 8.7209 9.1447 9.1447 10.1661 10.1661 12.8858 12.8858 14.1604 14.1604 14.8890 14.8890 15.2401 15.2401 17.0915 17.0915 17.1826 17.1826 17.8151 17.8151 k = 0.0000 0.0000 0.1667 ( 4195 PWs) bands (ev): 1.7956 1.7956 3.0900 3.0900 4.3142 4.3142 4.7471 4.7471 5.0424 5.0424 5.3453 5.3453 5.6118 5.6118 5.6692 5.6692 5.7392 5.7392 5.8883 5.8883 6.1468 6.1468 6.4551 6.4551 6.6828 6.6828 6.9685 6.9685 7.0628 7.0628 7.2317 7.2317 7.4286 7.4286 7.6233 7.6233 7.6734 7.6734 7.8456 7.8456 7.8834 7.8834 8.1720 8.1720 8.4251 8.4251 8.5376 8.5376 8.6878 8.6878 9.0833 9.0833 10.3061 10.3061 12.9508 12.9508 14.1164 14.1164 14.9659 14.9659 15.3079 15.3079 16.9343 16.9343 17.0700 17.0700 17.6765 17.6765 k = 0.0000 0.0000 0.1771 ( 4196 PWs) bands (ev): 1.8474 1.8474 3.0082 3.0082 4.3291 4.3291 4.7166 4.7166 5.0568 5.0568 5.3335 5.3335 5.6219 5.6219 5.6745 5.6745 5.7412 5.7412 5.8862 5.8862 6.1535 6.1535 6.4347 6.4347 6.7149 6.7149 6.9737 6.9737 7.0811 7.0811 7.2367 7.2367 7.4295 7.4295 7.6313 7.6313 7.6773 7.6773 7.8283 7.8283 7.8827 7.8827 8.1864 8.1864 8.4192 8.4192 8.4978 8.4978 8.6702 8.6702 9.0227 9.0227 10.4533 10.4533 12.9590 12.9590 14.1121 14.1121 15.0648 15.0648 15.3783 15.3783 16.7675 16.7675 16.9635 16.9635 17.5299 17.5299 k = 0.0000 0.0000 0.1875 ( 4196 PWs) bands (ev): 1.9019 1.9019 2.9264 2.9264 4.3444 4.3444 4.6875 4.6875 5.0726 5.0726 5.3207 5.3207 5.6317 5.6317 5.6792 5.6792 5.7430 5.7430 5.8841 5.8841 6.1606 6.1606 6.4149 6.4149 6.7458 6.7458 6.9763 6.9763 7.0982 7.0982 7.2400 7.2400 7.4341 7.4341 7.6379 7.6379 7.6803 7.6803 7.8087 7.8087 7.8866 7.8866 8.1980 8.1980 8.4004 8.4004 8.4715 8.4715 8.6609 8.6609 8.9637 8.9637 10.6069 10.6069 12.9057 12.9057 14.1608 14.1608 15.1763 15.1763 15.4508 15.4508 16.5978 16.5978 16.8591 16.8591 17.3779 17.3779 k = 0.0000 0.0000 0.1979 ( 4194 PWs) bands (ev): 1.9589 1.9589 2.8451 2.8451 4.3597 4.3597 4.6600 4.6600 5.0894 5.0894 5.3069 5.3069 5.6408 5.6408 5.6833 5.6833 5.7446 5.7446 5.8822 5.8822 6.1679 6.1679 6.3958 6.3958 6.7753 6.7753 6.9767 6.9767 7.1140 7.1140 7.2411 7.2411 7.4426 7.4426 7.6421 7.6421 7.6816 7.6816 7.7905 7.7905 7.8931 7.8931 8.2022 8.2022 8.3745 8.3745 8.4620 8.4620 8.6556 8.6556 8.9069 8.9069 10.7663 10.7663 12.8023 12.8023 14.2553 14.2553 15.2949 15.2949 15.5242 15.5242 16.4293 16.4293 16.7559 16.7559 17.2229 17.2229 k = 0.0000 0.0000 0.2084 ( 4192 PWs) bands (ev): 2.0182 2.0182 2.7649 2.7649 4.3751 4.3751 4.6344 4.6344 5.1071 5.1071 5.2921 5.2921 5.6493 5.6493 5.6867 5.6867 5.7459 5.7459 5.8805 5.8805 6.1752 6.1752 6.3780 6.3780 6.8028 6.8028 6.9751 6.9751 7.1284 7.1284 7.2399 7.2399 7.4551 7.4551 7.6426 7.6426 7.6808 7.6808 7.7762 7.7762 7.9017 7.9017 8.1930 8.1930 8.3594 8.3594 8.4593 8.4593 8.6527 8.6527 8.8530 8.8530 10.9306 10.9306 12.6656 12.6656 14.3807 14.3807 15.4150 15.4150 15.5970 15.5970 16.2669 16.2669 16.6543 16.6543 17.0671 17.0671 k = 0.0000 0.0000 0.2188 ( 4189 PWs) bands (ev): 2.0795 2.0795 2.6862 2.6862 4.3900 4.3900 4.6110 4.6110 5.1253 5.1253 5.2766 5.2766 5.6568 5.6568 5.6893 5.6893 5.7469 5.7469 5.8790 5.8790 6.1824 6.1824 6.3619 6.3619 6.8280 6.8280 6.9716 6.9716 7.1415 7.1415 7.2367 7.2367 7.4710 7.4710 7.6372 7.6372 7.6787 7.6787 7.7672 7.7672 7.9124 7.9124 8.1699 8.1699 8.3610 8.3610 8.4584 8.4584 8.6513 8.6513 8.8031 8.8031 11.0992 11.0992 12.5090 12.5090 14.5241 14.5241 15.5248 15.5248 15.6686 15.6686 16.1216 16.1216 16.5549 16.5549 16.9130 16.9130 k = 0.0000 0.0000 0.2292 ( 4197 PWs) bands (ev): 2.1419 2.1419 2.6101 2.6101 4.4041 4.4041 4.5904 4.5904 5.1437 5.1437 5.2604 5.2604 5.6632 5.6632 5.6911 5.6911 5.7476 5.7476 5.8777 5.8777 6.1891 6.1891 6.3481 6.3481 6.8503 6.8503 6.9665 6.9665 7.1529 7.1529 7.2322 7.2322 7.4898 7.4898 7.6246 7.6246 7.6771 7.6771 7.7631 7.7631 7.9249 7.9249 8.1402 8.1402 8.3735 8.3735 8.4576 8.4576 8.6514 8.6514 8.7584 8.7584 11.2713 11.2713 12.3409 12.3409 14.6763 14.6763 15.5830 15.5830 15.7510 15.7510 16.0203 16.0203 16.4591 16.4591 16.7642 16.7642 k = 0.0000 0.0000 0.2396 ( 4190 PWs) bands (ev): 2.2039 2.2039 2.5383 2.5383 4.4163 4.4163 4.5735 4.5735 5.1617 5.1617 5.2440 5.2440 5.6681 5.6681 5.6923 5.6923 5.7481 5.7481 5.8768 5.8768 6.1947 6.1947 6.3372 6.3372 6.8688 6.8688 6.9605 6.9605 7.1624 7.1624 7.2274 7.2274 7.5106 7.5106 7.6064 7.6064 7.6765 7.6765 7.7619 7.7619 7.9383 7.9383 8.1114 8.1114 8.3897 8.3897 8.4564 8.4564 8.6535 8.6535 8.7206 8.7206 11.4459 11.4459 12.1668 12.1668 14.8284 14.8284 15.5419 15.5419 15.8562 15.8562 15.9946 15.9946 16.3695 16.3695 16.6272 16.6272 k = 0.0000 0.0000 0.2500 ( 4186 PWs) bands (ev): 2.2597 2.2597 2.4765 2.4765 4.4250 4.4250 4.5620 4.5620 5.1780 5.1780 5.2286 5.2286 5.6713 5.6713 5.6928 5.6928 5.7484 5.7484 5.8763 5.8763 6.1986 6.1986 6.3302 6.3302 6.8819 6.8819 6.9549 6.9549 7.1690 7.1690 7.2234 7.2234 7.5319 7.5319 7.5860 7.5860 7.6764 7.6764 7.7619 7.7619 7.9498 7.9498 8.0896 8.0896 8.4036 8.4036 8.4545 8.4545 8.6587 8.6587 8.6917 8.6917 11.6210 11.6210 11.9913 11.9913 14.9641 14.9641 15.4456 15.4456 15.9584 15.9584 16.0167 16.0167 16.2942 16.2942 16.5177 16.5177 k = 0.0000 0.0000 0.2604 ( 4184 PWs) bands (ev): 2.2875 2.2875 2.4467 2.4467 4.4282 4.4282 4.5579 4.5579 5.1866 5.1866 5.2204 5.2204 5.6724 5.6724 5.6930 5.6930 5.7484 5.7484 5.8761 5.8761 6.1999 6.1999 6.3277 6.3277 6.8869 6.8869 6.9525 6.9525 7.1715 7.1715 7.2217 7.2217 7.5457 7.5457 7.5723 7.5723 7.6764 7.6764 7.7620 7.7620 7.9547 7.9547 8.0812 8.0812 8.4093 8.4093 8.4534 8.4534 8.6658 8.6658 8.6763 8.6763 11.7603 11.7603 11.8517 11.8517 15.0307 15.0307 15.3883 15.3883 16.0158 16.0158 16.0242 16.0242 16.2593 16.2593 16.4715 16.4715 k = 0.0000 0.0000 0.2604 ( 4184 PWs) bands (ev): 2.2875 2.2875 2.4467 2.4467 4.4282 4.4282 4.5579 4.5579 5.1866 5.1866 5.2204 5.2204 5.6724 5.6724 5.6930 5.6930 5.7484 5.7484 5.8761 5.8761 6.1999 6.1999 6.3277 6.3277 6.8869 6.8869 6.9525 6.9525 7.1715 7.1715 7.2217 7.2217 7.5457 7.5457 7.5723 7.5723 7.6764 7.6764 7.7620 7.7620 7.9547 7.9547 8.0812 8.0812 8.4093 8.4093 8.4534 8.4534 8.6658 8.6658 8.6763 8.6763 11.7603 11.7603 11.8517 11.8517 15.0307 15.0307 15.3883 15.3883 16.0158 16.0158 16.0242 16.0242 16.2593 16.2593 16.4715 16.4715 k = 0.0000 0.0104 0.2604 ( 4187 PWs) bands (ev): 2.2891 2.2891 2.4483 2.4483 4.4262 4.4262 4.5562 4.5562 5.1868 5.1868 5.2199 5.2199 5.6720 5.6720 5.6929 5.6929 5.7485 5.7485 5.8757 5.8757 6.1970 6.1970 6.3254 6.3254 6.8843 6.8843 6.9526 6.9526 7.1696 7.1696 7.2225 7.2225 7.5318 7.5318 7.5816 7.5816 7.6725 7.6725 7.7644 7.7644 7.9515 7.9515 8.0841 8.0841 8.3952 8.3952 8.4773 8.4773 8.6214 8.6214 8.7344 8.7344 11.7540 11.7540 11.8598 11.8598 15.0133 15.0133 15.3995 15.3995 15.9924 15.9924 16.0358 16.0358 16.2566 16.2566 16.4993 16.4993 k = 0.0000 0.0208 0.2604 ( 4191 PWs) bands (ev): 2.2940 2.2940 2.4530 2.4530 4.4201 4.4201 4.5511 4.5511 5.1874 5.1874 5.2186 5.2186 5.6709 5.6709 5.6927 5.6927 5.7486 5.7486 5.8747 5.8747 6.1884 6.1884 6.3186 6.3186 6.8770 6.8770 6.9524 6.9524 7.1646 7.1646 7.2245 7.2245 7.5076 7.5076 7.5922 7.5922 7.6630 7.6630 7.7682 7.7682 7.9458 7.9458 8.0907 8.0907 8.3760 8.3760 8.5253 8.5253 8.5839 8.5839 8.8122 8.8122 11.7393 11.7393 11.8797 11.8797 14.9683 14.9683 15.4232 15.4232 15.9538 15.9538 16.0486 16.0486 16.2561 16.2561 16.5680 16.5680 k = 0.0000 0.0312 0.2604 ( 4189 PWs) bands (ev): 2.3022 2.3022 2.4609 2.4609 4.4097 4.4097 4.5427 4.5427 5.1882 5.1882 5.2166 5.2166 5.6689 5.6689 5.6924 5.6924 5.7488 5.7488 5.8729 5.8729 6.1744 6.1744 6.3074 6.3074 6.8661 6.8661 6.9514 6.9514 7.1576 7.1576 7.2271 7.2271 7.4820 7.4820 7.5958 7.5958 7.6521 7.6521 7.7680 7.7680 7.9444 7.9444 8.0973 8.0973 8.3600 8.3600 8.5541 8.5541 8.5896 8.5896 8.9046 8.9046 11.7218 11.7218 11.9060 11.9060 14.9076 14.9076 15.4397 15.4397 15.9186 15.9186 16.0646 16.0646 16.2646 16.2646 16.6568 16.6568 k = 0.0000 0.0416 0.2604 ( 4192 PWs) bands (ev): 2.3136 2.3136 2.4720 2.4720 4.3950 4.3950 4.5308 4.5308 5.1888 5.1888 5.2144 5.2144 5.6662 5.6662 5.6919 5.6919 5.7490 5.7490 5.8702 5.8702 6.1557 6.1557 6.2919 6.2919 6.8528 6.8528 6.9492 6.9492 7.1500 7.1500 7.2298 7.2298 7.4575 7.4575 7.5900 7.5900 7.6441 7.6441 7.7619 7.7619 7.9502 7.9502 8.1020 8.1020 8.3467 8.3467 8.5318 8.5318 8.6668 8.6668 9.0103 9.0103 11.7037 11.7037 11.9363 11.9363 14.8395 14.8395 15.4305 15.4305 15.9052 15.9052 16.0853 16.0853 16.2820 16.2820 16.7540 16.7540 k = 0.0000 0.0520 0.2604 ( 4185 PWs) bands (ev): 2.3282 2.3282 2.4862 2.4862 4.3757 4.3757 4.5156 4.5156 5.1886 5.1886 5.2128 5.2128 5.6626 5.6626 5.6913 5.6913 5.7490 5.7490 5.8664 5.8664 6.1331 6.1331 6.2725 6.2725 6.8380 6.8380 6.9456 6.9456 7.1427 7.1427 7.2324 7.2324 7.4350 7.4350 7.5764 7.5764 7.6399 7.6399 7.7521 7.7521 7.9608 7.9608 8.1049 8.1049 8.3349 8.3349 8.5135 8.5135 8.7576 8.7576 9.1275 9.1275 11.6862 11.6862 11.9695 11.9695 14.7684 14.7684 15.3891 15.3891 15.9204 15.9204 16.1112 16.1112 16.3071 16.3071 16.8519 16.8519 k = 0.0000 0.0624 0.2604 ( 4185 PWs) bands (ev): 2.3461 2.3461 2.5035 2.5035 4.3515 4.3515 4.4968 4.4968 5.1867 5.1867 5.2126 5.2126 5.6582 5.6582 5.6905 5.6905 5.7488 5.7488 5.8613 5.8613 6.1077 6.1077 6.2500 6.2500 6.8229 6.8229 6.9406 6.9406 7.1366 7.1366 7.2350 7.2350 7.4151 7.4151 7.5591 7.5591 7.6373 7.6373 7.7410 7.7410 7.9733 7.9733 8.1062 8.1062 8.3239 8.3239 8.4978 8.4978 8.8604 8.8604 9.2544 9.2544 11.6694 11.6694 12.0051 12.0051 14.6969 14.6969 15.3224 15.3224 15.9565 15.9565 16.1419 16.1419 16.3389 16.3389 16.9424 16.9424 k = 0.0000 0.0728 0.2604 ( 4194 PWs) bands (ev): 2.3672 2.3672 2.5240 2.5240 4.3223 4.3223 4.4746 4.4746 5.1829 5.1829 5.2141 5.2141 5.6527 5.6527 5.6895 5.6895 5.7483 5.7483 5.8547 5.8547 6.0807 6.0807 6.2251 6.2251 6.8079 6.8079 6.9347 6.9347 7.1320 7.1320 7.2376 7.2376 7.3978 7.3978 7.5414 7.5414 7.6346 7.6346 7.7299 7.7299 7.9856 7.9856 8.1065 8.1065 8.3131 8.3131 8.4837 8.4837 8.9736 8.9736 9.3894 9.3894 11.6536 11.6536 12.0430 12.0430 14.6265 14.6265 15.2406 15.2406 16.0024 16.0024 16.1766 16.1766 16.3761 16.3761 17.0110 17.0110 k = 0.0000 0.0832 0.2604 ( 4195 PWs) bands (ev): 2.3914 2.3914 2.5474 2.5474 4.2878 4.2878 4.4489 4.4489 5.1778 5.1778 5.2172 5.2172 5.6462 5.6462 5.6883 5.6883 5.7472 5.7472 5.8463 5.8463 6.0533 6.0533 6.1990 6.1990 6.7938 6.7938 6.9284 6.9284 7.1293 7.1293 7.2402 7.2402 7.3832 7.3832 7.5249 7.5249 7.6314 7.6314 7.7192 7.7192 7.9969 7.9969 8.1063 8.1063 8.3022 8.3022 8.4706 8.4706 9.0956 9.0956 9.5309 9.5309 11.6386 11.6386 12.0830 12.0830 14.5580 14.5580 15.1507 15.1507 16.0494 16.0494 16.2134 16.2134 16.4159 16.4159 17.0298 17.0298 k = 0.0000 0.0936 0.2604 ( 4195 PWs) bands (ev): 2.4188 2.4188 2.5739 2.5739 4.2480 4.2480 4.4196 4.4196 5.1720 5.1720 5.2213 5.2213 5.6384 5.6384 5.6868 5.6868 5.7456 5.7456 5.8359 5.8359 6.0266 6.0266 6.1731 6.1731 6.7806 6.7806 6.9221 6.9221 7.1283 7.1283 7.2429 7.2429 7.3712 7.3712 7.5099 7.5099 7.6275 7.6275 7.7091 7.7091 8.0069 8.0069 8.1059 8.1059 8.2910 8.2910 8.4581 8.4581 9.2247 9.2247 9.6778 9.6778 11.6245 11.6245 12.1251 12.1251 14.4923 14.4923 15.0569 15.0569 16.0901 16.0901 16.2498 16.2498 16.4544 16.4544 16.9789 16.9789 k = 0.0000 0.1040 0.2604 ( 4186 PWs) bands (ev): 2.4492 2.4492 2.6034 2.6034 4.2028 4.2028 4.3868 4.3868 5.1658 5.1658 5.2260 5.2260 5.6291 5.6291 5.6850 5.6850 5.7433 5.7433 5.8235 5.8235 6.0018 6.0018 6.1487 6.1487 6.7686 6.7686 6.9164 6.9164 7.1291 7.1291 7.2458 7.2458 7.3615 7.3615 7.4965 7.4965 7.6228 7.6228 7.6993 7.6993 8.0155 8.0155 8.1056 8.1056 8.2795 8.2795 8.4459 8.4459 9.3594 9.3594 9.8290 9.8290 11.6110 11.6110 12.1692 12.1692 14.4299 14.4299 14.9613 14.9613 16.1128 16.1128 16.2834 16.2834 16.4867 16.4867 16.8921 16.8921 k = 0.0000 0.1144 0.2604 ( 4187 PWs) bands (ev): 2.4828 2.4828 2.6359 2.6359 4.1526 4.1526 4.3503 4.3503 5.1598 5.1598 5.2311 5.2311 5.6180 5.6180 5.6828 5.6828 5.7403 5.7403 5.8094 5.8094 5.9795 5.9795 6.1267 6.1267 6.7579 6.7579 6.9113 6.9113 7.1313 7.1313 7.2489 7.2489 7.3540 7.3540 7.4845 7.4845 7.6173 7.6173 7.6901 7.6901 8.0230 8.0230 8.1054 8.1054 8.2677 8.2677 8.4338 8.4338 9.4984 9.4984 9.9834 9.9834 11.5982 11.5982 12.2152 12.2152 14.3713 14.3713 14.8653 14.8653 16.0950 16.0950 16.3153 16.3153 16.5136 16.5136 16.8142 16.8142 k = 0.0000 0.1248 0.2604 ( 4190 PWs) bands (ev): 2.5194 2.5194 2.6712 2.6712 4.0976 4.0976 4.3103 4.3103 5.1541 5.1541 5.2365 5.2365 5.6050 5.6050 5.6799 5.6799 5.7366 5.7366 5.7943 5.7943 5.9603 5.9603 6.1078 6.1078 6.7484 6.7484 6.9071 6.9071 7.1349 7.1349 7.2520 7.2520 7.3486 7.3486 7.4736 7.4736 7.6112 7.6112 7.6814 7.6814 8.0295 8.0295 8.1054 8.1054 8.2558 8.2558 8.4217 8.4217 9.6403 9.6403 10.1401 10.1401 11.5857 11.5857 12.2631 12.2631 14.3169 14.3169 14.7698 14.7698 16.0183 16.0183 16.3491 16.3491 16.5434 16.5434 16.7538 16.7538 k = 0.0000 0.1352 0.2604 ( 4180 PWs) bands (ev): 2.5589 2.5589 2.7093 2.7093 4.0383 4.0383 4.2667 4.2667 5.1489 5.1489 5.2421 5.2421 5.5901 5.5901 5.6763 5.6763 5.7322 5.7322 5.7794 5.7794 5.9443 5.9443 6.0922 6.0922 6.7400 6.7400 6.9037 6.9037 7.1398 7.1398 7.2550 7.2550 7.3449 7.3449 7.4635 7.4635 7.6042 7.6042 7.6732 7.6732 8.0353 8.0353 8.1056 8.1056 8.2437 8.2437 8.4097 8.4097 9.7838 9.7838 10.2983 10.2983 11.5735 11.5735 12.3127 12.3127 14.2670 14.2670 14.6755 14.6755 15.8925 15.8925 16.3771 16.3771 16.5780 16.5780 16.7013 16.7013 k = 0.0000 0.1456 0.2604 ( 4182 PWs) bands (ev): 2.6013 2.6013 2.7502 2.7502 3.9752 3.9752 4.2196 4.2196 5.1443 5.1443 5.2476 5.2476 5.5733 5.5733 5.6717 5.6717 5.7272 5.7272 5.7659 5.7659 5.9313 5.9313 6.0798 6.0798 6.7327 6.7327 6.9011 6.9011 7.1456 7.1456 7.2580 7.2580 7.3429 7.3429 7.4540 7.4540 7.5965 7.5965 7.6658 7.6658 8.0405 8.0405 8.1061 8.1061 8.2316 8.2316 8.3978 8.3978 9.9276 9.9276 10.4568 10.4568 11.5614 11.5614 12.3640 12.3640 14.2221 14.2221 14.5828 14.5828 15.7392 15.7392 16.3681 16.3681 16.6007 16.6007 16.6860 16.6860 k = 0.0000 0.1560 0.2604 ( 4188 PWs) bands (ev): 2.6465 2.6465 2.7937 2.7937 3.9089 3.9089 4.1692 4.1692 5.1404 5.1404 5.2531 5.2531 5.5552 5.5552 5.6660 5.6660 5.7217 5.7217 5.7547 5.7547 5.9211 5.9211 6.0702 6.0702 6.7264 6.7264 6.8993 6.8993 7.1524 7.1524 7.2607 7.2607 7.3425 7.3425 7.4450 7.4450 7.5881 7.5881 7.6593 7.6593 8.0454 8.0454 8.1069 8.1069 8.2195 8.2195 8.3861 8.3861 10.0704 10.0704 10.6146 10.6146 11.5493 11.5493 12.4169 12.4169 14.1823 14.1823 14.4923 14.4923 15.5739 15.5739 16.2877 16.2877 16.6263 16.6263 16.7273 16.7273 k = 0.0000 0.1664 0.2604 ( 4195 PWs) bands (ev): 2.6945 2.6945 2.8397 2.8397 3.8400 3.8400 4.1159 4.1159 5.1372 5.1372 5.2584 5.2584 5.5362 5.5362 5.6591 5.6591 5.7161 5.7161 5.7461 5.7461 5.9133 5.9133 6.0629 6.0629 6.7210 6.7210 6.8981 6.8981 7.1599 7.1599 7.2631 7.2631 7.3433 7.3433 7.4364 7.4364 7.5788 7.5788 7.6536 7.6536 8.0500 8.0500 8.1078 8.1078 8.2078 8.2078 8.3745 8.3745 10.2105 10.2105 10.7705 10.7705 11.5371 11.5371 12.4710 12.4710 14.1479 14.1479 14.4045 14.4045 15.4055 15.4055 16.1584 16.1584 16.6766 16.6766 16.7881 16.7881 k = 0.0000 0.1768 0.2604 ( 4192 PWs) bands (ev): 2.7451 2.7451 2.8881 2.8881 3.7693 3.7693 4.0598 4.0598 5.1347 5.1347 5.2635 5.2635 5.5171 5.5171 5.6513 5.6513 5.7110 5.7110 5.7399 5.7399 5.9074 5.9074 6.0574 6.0574 6.7164 6.7164 6.8973 6.8973 7.1679 7.1679 7.2653 7.2653 7.3452 7.3452 7.4283 7.4283 7.5688 7.5688 7.6490 7.6490 8.0545 8.0545 8.1089 8.1089 8.1963 8.1963 8.3634 8.3634 10.3462 10.3462 10.9230 10.9230 11.5247 11.5247 12.5262 12.5262 14.1190 14.1190 14.3201 14.3201 15.2394 15.2394 16.0099 16.0099 16.7404 16.7404 16.8564 16.8564 k = 0.0000 0.1872 0.2604 ( 4196 PWs) bands (ev): 2.7981 2.7981 2.9385 2.9385 3.6974 3.6974 4.0014 4.0014 5.1328 5.1328 5.2681 5.2681 5.4986 5.4986 5.6431 5.6431 5.7066 5.7066 5.7353 5.7353 5.9030 5.9030 6.0533 6.0533 6.7127 6.7127 6.8970 6.8970 7.1764 7.1764 7.2671 7.2671 7.3478 7.3478 7.4209 7.4209 7.5583 7.5583 7.6452 7.6452 8.0591 8.0591 8.1101 8.1101 8.1853 8.1853 8.3527 8.3527 10.4757 10.4757 11.0701 11.0701 11.5122 11.5122 12.5822 12.5822 14.0952 14.0952 14.2404 14.2404 15.0796 15.0796 15.8562 15.8562 16.8113 16.8113 16.9295 16.9295 k = 0.0000 0.1976 0.2604 ( 4194 PWs) bands (ev): 2.8535 2.8535 2.9907 2.9907 3.6251 3.6251 3.9411 3.9411 5.1316 5.1316 5.2723 5.2723 5.4814 5.4814 5.6351 5.6351 5.7030 5.7030 5.7319 5.7319 5.8997 5.8997 6.0503 6.0503 6.7096 6.7096 6.8969 6.8969 7.1850 7.1850 7.2688 7.2688 7.3503 7.3503 7.4147 7.4147 7.5474 7.5474 7.6424 7.6424 8.0638 8.0638 8.1113 8.1113 8.1747 8.1747 8.3427 8.3427 10.5965 10.5965 11.2090 11.2090 11.5004 11.5004 12.6385 12.6385 14.0744 14.0744 14.1682 14.1682 14.9296 14.9296 15.7045 15.7045 16.8866 16.8866 17.0065 17.0065 k = 0.0000 0.2080 0.2604 ( 4193 PWs) bands (ev): 2.9110 2.9110 3.0440 3.0440 3.5534 3.5534 3.8795 3.8795 5.1309 5.1309 5.2759 5.2759 5.4659 5.4659 5.6276 5.6276 5.7001 5.7001 5.7293 5.7293 5.8974 5.8974 6.0481 6.0481 6.7071 6.7071 6.8971 6.8971 7.1935 7.1935 7.2704 7.2704 7.3522 7.3522 7.4104 7.4104 7.5363 7.5363 7.6403 7.6403 8.0688 8.0688 8.1125 8.1125 8.1647 8.1647 8.3336 8.3336 10.7062 10.7062 11.3335 11.3335 11.4930 11.4930 12.6945 12.6945 14.0473 14.0473 14.1137 14.1137 14.7928 14.7928 15.5597 15.5597 16.9648 16.9648 17.0866 17.0866 k = 0.0000 0.2184 0.2604 ( 4199 PWs) bands (ev): 2.9703 2.9703 3.0973 3.0973 3.4841 3.4841 3.8170 3.8170 5.1307 5.1307 5.2788 5.2788 5.4524 5.4524 5.6210 5.6210 5.6977 5.6977 5.7274 5.7274 5.8957 5.8957 6.0465 6.0465 6.7053 6.7053 6.8974 6.8974 7.2016 7.2016 7.2720 7.2720 7.3526 7.3526 7.4087 7.4087 7.5252 7.5252 7.6390 7.6390 8.0741 8.0741 8.1135 8.1135 8.1553 8.1553 8.3255 8.3255 10.8020 10.8020 11.4161 11.4161 11.5145 11.5145 12.7497 12.7497 13.9992 13.9992 14.0920 14.0920 14.6729 14.6729 15.4259 15.4259 17.0451 17.0451 17.1693 17.1693 k = 0.0000 0.2288 0.2604 ( 4201 PWs) bands (ev): 3.0306 3.0306 3.1472 3.1472 3.4208 3.4208 3.7543 3.7543 5.1309 5.1309 5.2811 5.2811 5.4413 5.4413 5.6155 5.6155 5.6959 5.6959 5.7259 5.7259 5.8945 5.8945 6.0454 6.0454 6.7040 6.7040 6.8979 6.8979 7.2089 7.2089 7.2735 7.2735 7.3512 7.3512 7.4099 7.4099 7.5144 7.5144 7.6384 7.6384 8.0798 8.0798 8.1143 8.1143 8.1466 8.1466 8.3186 8.3186 10.8809 10.8809 11.4256 11.4256 11.5924 11.5924 12.8037 12.8037 13.9430 13.9430 14.0905 14.0905 14.5739 14.5739 15.3072 15.3072 17.1263 17.1263 17.2539 17.2539 k = 0.0000 0.2392 0.2604 ( 4201 PWs) bands (ev): 3.0903 3.0903 3.1845 3.1845 3.3742 3.3742 3.6922 3.6922 5.1313 5.1313 5.2825 5.2825 5.4327 5.4327 5.6112 5.6112 5.6944 5.6944 5.7247 5.7247 5.8937 5.8937 6.0445 6.0445 6.7032 6.7032 6.8983 6.8983 7.2151 7.2151 7.2748 7.2748 7.3489 7.3489 7.4134 7.4134 7.5042 7.5042 7.6384 7.6384 8.0858 8.0858 8.1148 8.1148 8.1385 8.1385 8.3132 8.3132 10.9400 10.9400 11.4128 11.4128 11.6723 11.6723 12.8562 12.8562 13.8885 13.8885 14.0982 14.0982 14.5002 14.5002 15.2080 15.2080 17.2073 17.2073 17.3378 17.3378 k = 0.0000 0.2496 0.2604 ( 4200 PWs) bands (ev): 3.1380 3.1380 3.1962 3.1962 3.3678 3.3678 3.6320 3.6320 5.1320 5.1320 5.2831 5.2831 5.4267 5.4267 5.6083 5.6083 5.6933 5.6933 5.7239 5.7239 5.8932 5.8932 6.0440 6.0440 6.7030 6.7030 6.8988 6.8988 7.2198 7.2198 7.2757 7.2757 7.3467 7.3467 7.4181 7.4181 7.4953 7.4953 7.6391 7.6391 8.0923 8.0923 8.1146 8.1146 8.1313 8.1313 8.3095 8.3095 10.9765 10.9765 11.3953 11.3953 11.7328 11.7328 12.9072 12.9072 13.8375 13.8375 14.1117 14.1117 14.4559 14.4559 15.1327 15.1327 17.2848 17.2848 17.3919 17.3919 k = 0.0000 0.2496 0.2604 ( 4200 PWs) bands (ev): 3.1380 3.1380 3.1962 3.1962 3.3678 3.3678 3.6320 3.6320 5.1320 5.1320 5.2831 5.2831 5.4267 5.4267 5.6083 5.6083 5.6933 5.6933 5.7239 5.7239 5.8932 5.8932 6.0440 6.0440 6.7030 6.7030 6.8988 6.8988 7.2198 7.2198 7.2757 7.2757 7.3467 7.3467 7.4181 7.4181 7.4953 7.4953 7.6391 7.6391 8.0923 8.0923 8.1146 8.1146 8.1313 8.1313 8.3095 8.3095 10.9765 10.9765 11.3953 11.3953 11.7328 11.7328 12.9072 12.9072 13.8375 13.8375 14.1117 14.1117 14.4559 14.4559 15.1327 15.1327 17.2848 17.2848 17.3919 17.3919 k = 0.0000 0.2564 0.2532 ( 4198 PWs) bands (ev): 3.1709 3.1709 3.1918 3.1918 3.4130 3.4130 3.5521 3.5521 5.1324 5.1324 5.2825 5.2825 5.4243 5.4243 5.6071 5.6071 5.6915 5.6915 5.7232 5.7232 5.8926 5.8926 6.0434 6.0434 6.7045 6.7045 6.9005 6.9005 7.2243 7.2243 7.2815 7.2815 7.3431 7.3431 7.4228 7.4228 7.4852 7.4852 7.6396 7.6396 8.0997 8.0997 8.1140 8.1140 8.1218 8.1218 8.3076 8.3076 10.9868 10.9868 11.3958 11.3958 11.7616 11.7616 13.0183 13.0183 13.7272 13.7272 14.1056 14.1056 14.4457 14.4457 15.0853 15.0853 17.3591 17.3591 17.3901 17.3901 k = 0.0000 0.2631 0.2460 ( 4200 PWs) bands (ev): 3.1816 3.1816 3.1901 3.1901 3.4703 3.4703 3.4838 3.4838 5.1326 5.1326 5.2823 5.2823 5.4235 5.4235 5.6067 5.6067 5.6909 5.6909 5.7230 5.7230 5.8924 5.8924 6.0432 6.0432 6.7050 6.7050 6.9011 6.9011 7.2257 7.2257 7.2837 7.2837 7.3417 7.3417 7.4249 7.4249 7.4812 7.4812 7.6397 7.6397 8.1049 8.1049 8.1120 8.1120 8.1176 8.1176 8.3069 8.3069 10.9904 10.9904 11.3957 11.3957 11.7715 11.7715 13.0643 13.0643 13.6814 13.6814 14.1038 14.1038 14.4423 14.4423 15.0691 15.0691 17.3773 17.3773 17.4014 17.4014 k = 0.0000 0.2631 0.2460 ( 4200 PWs) bands (ev): 3.1816 3.1816 3.1901 3.1901 3.4703 3.4703 3.4838 3.4838 5.1326 5.1326 5.2823 5.2823 5.4235 5.4235 5.6067 5.6067 5.6909 5.6909 5.7230 5.7230 5.8924 5.8924 6.0432 6.0432 6.7050 6.7050 6.9011 6.9011 7.2257 7.2257 7.2837 7.2837 7.3417 7.3417 7.4249 7.4249 7.4812 7.4812 7.6397 7.6397 8.1049 8.1049 8.1120 8.1120 8.1176 8.1176 8.3069 8.3069 10.9904 10.9904 11.3957 11.3957 11.7715 11.7715 13.0643 13.0643 13.6814 13.6814 14.1038 14.1038 14.4423 14.4423 15.0691 15.0691 17.3773 17.3773 17.4014 17.4014 k = 0.0104 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.1825 3.1825 3.1917 3.1917 3.4717 3.4717 3.4848 3.4848 5.1332 5.1332 5.2829 5.2829 5.4240 5.4240 5.6069 5.6069 5.6910 5.6910 5.7233 5.7233 5.8925 5.8925 6.0431 6.0431 6.7047 6.7047 6.9000 6.9000 7.2244 7.2244 7.2840 7.2840 7.3405 7.3405 7.4259 7.4259 7.4812 7.4812 7.6398 7.6398 8.1027 8.1027 8.1077 8.1077 8.1229 8.1229 8.3065 8.3065 10.9932 10.9932 11.3983 11.3983 11.7738 11.7738 13.0659 13.0659 13.6825 13.6825 14.1046 14.1046 14.4423 14.4423 15.0690 15.0690 17.3317 17.3317 17.3935 17.3935 k = 0.0208 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.1854 3.1854 3.1965 3.1965 3.4761 3.4761 3.4880 3.4880 5.1352 5.1352 5.2848 5.2848 5.4254 5.4254 5.6074 5.6074 5.6914 5.6914 5.7240 5.7240 5.8929 5.8929 6.0429 6.0429 6.7038 6.7038 6.8969 6.8969 7.2206 7.2206 7.2847 7.2847 7.3373 7.3373 7.4288 7.4288 7.4809 7.4809 7.6401 7.6401 8.0950 8.0950 8.1049 8.1049 8.1297 8.1297 8.3053 8.3053 11.0018 11.0018 11.4060 11.4060 11.7807 11.7807 13.0706 13.0706 13.6858 13.6858 14.1070 14.1070 14.4422 14.4422 15.0687 15.0687 17.2307 17.2307 17.3494 17.3494 k = 0.0312 0.2631 0.2460 ( 4198 PWs) bands (ev): 3.1903 3.1903 3.2045 3.2045 3.4833 3.4833 3.4932 3.4932 5.1384 5.1384 5.2878 5.2878 5.4279 5.4279 5.6083 5.6083 5.6920 5.6920 5.7253 5.7253 5.8936 5.8936 6.0426 6.0426 6.7023 6.7023 6.8918 6.8918 7.2145 7.2145 7.2854 7.2854 7.3323 7.3323 7.4332 7.4332 7.4806 7.4806 7.6405 7.6405 8.0854 8.0854 8.1023 8.1023 8.1360 8.1360 8.3034 8.3034 11.0161 11.0161 11.4188 11.4188 11.7921 11.7921 13.0783 13.0783 13.6913 13.6913 14.1110 14.1110 14.4419 14.4419 15.0681 15.0681 17.0951 17.0951 17.2719 17.2719 k = 0.0417 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.1973 3.1973 3.2155 3.2155 3.4934 3.4934 3.5006 3.5006 5.1429 5.1429 5.2921 5.2921 5.4313 5.4313 5.6095 5.6095 5.6928 5.6928 5.7272 5.7272 5.8945 5.8945 6.0421 6.0421 6.7001 6.7001 6.8848 6.8848 7.2067 7.2067 7.2856 7.2856 7.3263 7.3263 7.4386 7.4386 7.4800 7.4800 7.6413 7.6413 8.0751 8.0751 8.0990 8.0990 8.1415 8.1415 8.3008 8.3008 11.0357 11.0357 11.4366 11.4366 11.8079 11.8079 13.0892 13.0892 13.6989 13.6989 14.1165 14.1165 14.4415 14.4415 15.0671 15.0671 16.9375 16.9375 17.1667 17.1667 k = 0.0521 0.2631 0.2460 ( 4194 PWs) bands (ev): 3.2063 3.2063 3.2294 3.2294 3.5061 3.5061 3.5102 3.5102 5.1485 5.1485 5.2975 5.2975 5.4355 5.4355 5.6109 5.6109 5.6940 5.6940 5.7296 5.7296 5.8957 5.8957 6.0415 6.0415 6.6974 6.6974 6.8762 6.8762 7.1973 7.1973 7.2841 7.2841 7.3205 7.3205 7.4448 7.4448 7.4794 7.4794 7.6423 7.6423 8.0643 8.0643 8.0948 8.0948 8.1462 8.1462 8.2977 8.2977 11.0605 11.0605 11.4593 11.4593 11.8279 11.8279 13.1030 13.1030 13.7086 13.7086 14.1236 14.1236 14.4409 14.4409 15.0657 15.0657 16.7667 16.7667 17.0378 17.0378 k = 0.0625 0.2631 0.2460 ( 4190 PWs) bands (ev): 3.2173 3.2173 3.2464 3.2464 3.5201 3.5201 3.5233 3.5233 5.1554 5.1554 5.3041 5.3041 5.4405 5.4405 5.6125 5.6125 5.6955 5.6955 5.7328 5.7328 5.8971 5.8971 6.0407 6.0407 6.6939 6.6939 6.8662 6.8662 7.1870 7.1870 7.2795 7.2795 7.3164 7.3164 7.4512 7.4512 7.4786 7.4786 7.6438 7.6438 8.0532 8.0532 8.0899 8.0899 8.1502 8.1502 8.2940 8.2940 11.0901 11.0901 11.4868 11.4868 11.8517 11.8517 13.1198 13.1198 13.7202 13.7202 14.1320 14.1320 14.4399 14.4399 15.0636 15.0636 16.5885 16.5885 16.8881 16.8881 k = 0.0729 0.2631 0.2460 ( 4184 PWs) bands (ev): 3.2302 3.2302 3.2663 3.2663 3.5340 3.5340 3.5413 3.5413 5.1633 5.1633 5.3117 5.3117 5.4463 5.4463 5.6141 5.6141 5.6975 5.6975 5.7368 5.7368 5.8987 5.8987 6.0398 6.0398 6.6898 6.6898 6.8551 6.8551 7.1760 7.1760 7.2711 7.2711 7.3148 7.3148 7.4577 7.4577 7.4778 7.4778 7.6459 7.6459 8.0420 8.0420 8.0842 8.0842 8.1535 8.1535 8.2900 8.2900 11.1240 11.1240 11.5189 11.5189 11.8790 11.8790 13.1396 13.1396 13.7336 13.7336 14.1418 14.1418 14.4383 14.4383 15.0606 15.0606 16.4067 16.4067 16.7245 16.7245 k = 0.0833 0.2631 0.2460 ( 4192 PWs) bands (ev): 3.2451 3.2451 3.2890 3.2890 3.5492 3.5492 3.5625 3.5625 5.1723 5.1723 5.3203 5.3203 5.4527 5.4527 5.6155 5.6155 5.6998 5.6998 5.7416 5.7416 5.9005 5.9005 6.0386 6.0386 6.6850 6.6850 6.8431 6.8431 7.1646 7.1646 7.2594 7.2594 7.3151 7.3151 7.4639 7.4639 7.4770 7.4770 7.6487 7.6487 8.0308 8.0308 8.0778 8.0778 8.1562 8.1562 8.2857 8.2857 11.1620 11.1620 11.5554 11.5554 11.9095 11.9095 13.1622 13.1622 13.7485 13.7485 14.1528 14.1528 14.4360 14.4360 15.0564 15.0564 16.2236 16.2236 16.5547 16.5547 k = 0.0938 0.2631 0.2460 ( 4192 PWs) bands (ev): 3.2618 3.2618 3.3147 3.3147 3.5663 3.5663 3.5864 3.5864 5.1822 5.1822 5.3298 5.3298 5.4595 5.4595 5.6168 5.6168 5.7027 5.7027 5.7474 5.7474 5.9025 5.9025 6.0373 6.0373 6.6795 6.6795 6.8307 6.8307 7.1532 7.1532 7.2456 7.2456 7.3164 7.3164 7.4689 7.4689 7.4769 7.4769 7.6524 7.6524 8.0198 8.0198 8.0707 8.0707 8.1583 8.1583 8.2813 8.2813 11.2033 11.2033 11.5962 11.5962 11.9427 11.9427 13.1875 13.1875 13.7648 13.7648 14.1648 14.1648 14.4325 14.4325 15.0503 15.0503 16.0412 16.0412 16.3830 16.3830 k = 0.1042 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.2804 3.2804 3.3430 3.3430 3.5851 3.5851 3.6129 3.6129 5.1930 5.1930 5.3402 5.3402 5.4666 5.4666 5.6178 5.6178 5.7062 5.7062 5.7542 5.7542 5.9047 5.9047 6.0358 6.0358 6.6734 6.6734 6.8180 6.8180 7.1420 7.1420 7.2304 7.2304 7.3179 7.3179 7.4705 7.4705 7.4797 7.4797 7.6572 7.6572 8.0090 8.0090 8.0632 8.0632 8.1599 8.1599 8.2769 8.2769 11.2474 11.2474 11.6410 11.6410 11.9780 11.9780 13.2155 13.2155 13.7821 13.7821 14.1777 14.1777 14.4276 14.4276 15.0415 15.0415 15.8608 15.8608 16.2109 16.2109 k = 0.1146 0.2631 0.2460 ( 4194 PWs) bands (ev): 3.3006 3.3006 3.3742 3.3742 3.6055 3.6055 3.6420 3.6420 5.2045 5.2045 5.3511 5.3511 5.4738 5.4738 5.6184 5.6184 5.7104 5.7104 5.7621 5.7621 5.9072 5.9072 6.0341 6.0341 6.6667 6.6667 6.8055 6.8055 7.1313 7.1313 7.2145 7.2145 7.3194 7.3194 7.4690 7.4690 7.4849 7.4849 7.6632 7.6632 7.9985 7.9985 8.0551 8.0551 8.1611 8.1611 8.2726 8.2726 11.2937 11.2937 11.6896 11.6896 12.0149 12.0149 13.2460 13.2460 13.8000 13.8000 14.1910 14.1910 14.4203 14.4203 15.0288 15.0288 15.6837 15.6837 16.0386 16.0386 k = 0.1250 0.2631 0.2460 ( 4194 PWs) bands (ev): 3.3225 3.3225 3.4079 3.4079 3.6276 3.6276 3.6734 3.6734 5.2166 5.2166 5.3627 5.3627 5.4808 5.4808 5.6185 5.6185 5.7155 5.7155 5.7713 5.7713 5.9098 5.9098 6.0323 6.0323 6.6595 6.6595 6.7934 6.7934 7.1213 7.1213 7.1983 7.1983 7.3207 7.3207 7.4663 7.4663 7.4907 7.4907 7.6704 7.6704 7.9885 7.9885 8.0466 8.0466 8.1619 8.1619 8.2685 8.2685 11.3413 11.3413 11.7418 11.7418 12.0525 12.0525 13.2789 13.2789 13.8178 13.8178 14.2045 14.2045 14.4098 14.4098 15.0102 15.0102 15.5110 15.5110 15.8661 15.8661 k = 0.1354 0.2631 0.2460 ( 4184 PWs) bands (ev): 3.3459 3.3459 3.4441 3.4441 3.6511 3.6511 3.7072 3.7072 5.2293 5.2293 5.3745 5.3745 5.4873 5.4873 5.6181 5.6181 5.7214 5.7214 5.7816 5.7816 5.9127 5.9127 6.0303 6.0303 6.6519 6.6519 6.7820 6.7820 7.1120 7.1120 7.1822 7.1822 7.3216 7.3216 7.4627 7.4627 7.4970 7.4970 7.6789 7.6789 7.9790 7.9790 8.0379 8.0379 8.1624 8.1624 8.2647 8.2647 11.3895 11.3895 11.7972 11.7972 12.0901 12.0901 13.3139 13.3139 13.8348 13.8348 14.2176 14.2176 14.3948 14.3948 14.9828 14.9828 15.3438 15.3438 15.6948 15.6948 k = 0.1458 0.2631 0.2460 ( 4178 PWs) bands (ev): 3.3708 3.3708 3.4828 3.4828 3.6761 3.6761 3.7432 3.7432 5.2423 5.2423 5.3865 5.3865 5.4931 5.4931 5.6169 5.6169 5.7285 5.7285 5.7931 5.7931 5.9159 5.9159 6.0283 6.0283 6.6443 6.6443 6.7716 6.7716 7.1035 7.1035 7.1668 7.1668 7.3221 7.3221 7.4584 7.4584 7.5038 7.5038 7.6887 7.6887 7.9700 7.9700 8.0289 8.0289 8.1627 8.1627 8.2612 8.2612 11.4373 11.4373 11.8555 11.8555 12.1266 12.1266 13.3508 13.3508 13.8499 13.8499 14.2295 14.2295 14.3729 14.3729 14.9422 14.9422 15.1836 15.1836 15.5284 15.5284 k = 0.1562 0.2631 0.2460 ( 4170 PWs) bands (ev): 3.3971 3.3971 3.5238 3.5238 3.7024 3.7024 3.7812 3.7812 5.2556 5.2556 5.3985 5.3985 5.4977 5.4977 5.6151 5.6151 5.7368 5.7368 5.8057 5.8057 5.9196 5.9196 6.0264 6.0264 6.6368 6.6368 6.7624 6.7624 7.0958 7.0958 7.1525 7.1525 7.3223 7.3223 7.4535 7.4535 7.5111 7.5111 7.6996 7.6996 7.9616 7.9616 8.0198 8.0198 8.1628 8.1628 8.2580 8.2580 11.4834 11.4834 11.9165 11.9165 12.1609 12.1609 13.3891 13.3891 13.8618 13.8618 14.2394 14.2394 14.3416 14.3416 14.8826 14.8826 15.0319 15.0319 15.3722 15.3722 k = 0.1667 0.2631 0.2460 ( 4166 PWs) bands (ev): 3.4247 3.4247 3.5670 3.5670 3.7299 3.7299 3.8212 3.8212 5.2689 5.2689 5.4100 5.4100 5.5010 5.5010 5.6126 5.6126 5.7464 5.7464 5.8195 5.8195 5.9237 5.9237 6.0247 6.0247 6.6297 6.6297 6.7546 6.7546 7.0888 7.0888 7.1400 7.1400 7.3222 7.3222 7.4480 7.4480 7.5191 7.5191 7.7115 7.7115 7.9538 7.9538 8.0107 8.0107 8.1627 8.1627 8.2552 8.2552 11.5268 11.5268 11.9797 11.9797 12.1916 12.1916 13.4283 13.4283 13.8690 13.8690 14.2457 14.2457 14.2974 14.2974 14.7983 14.7983 14.8907 14.8907 15.2326 15.2326 k = 0.1771 0.2631 0.2460 ( 4168 PWs) bands (ev): 3.4535 3.4535 3.6122 3.6122 3.7584 3.7584 3.8630 3.8630 5.2822 5.2822 5.4210 5.4210 5.5025 5.5025 5.6093 5.6093 5.7573 5.7573 5.8343 5.8343 5.9285 5.9285 6.0236 6.0236 6.6234 6.6234 6.7483 6.7483 7.0822 7.0822 7.1299 7.1299 7.3220 7.3220 7.4422 7.4422 7.5279 7.5279 7.7243 7.7243 7.9466 7.9466 8.0018 8.0018 8.1626 8.1626 8.2529 8.2529 11.5659 11.5659 12.0446 12.0446 12.2170 12.2170 13.4673 13.4673 13.8700 13.8700 14.2306 14.2306 14.2519 14.2519 14.6895 14.6895 14.7612 14.7612 15.1164 15.1164 k = 0.1875 0.2631 0.2460 ( 4168 PWs) bands (ev): 3.4833 3.4833 3.6593 3.6593 3.7880 3.7880 3.9064 3.9064 5.2953 5.2953 5.4308 5.4308 5.5023 5.5023 5.6051 5.6051 5.7695 5.7695 5.8499 5.8499 5.9342 5.9342 6.0233 6.0233 6.6183 6.6183 6.7436 6.7436 7.0760 7.0760 7.1227 7.1227 7.3216 7.3216 7.4362 7.4362 7.5374 7.5374 7.7379 7.7379 7.9400 7.9400 7.9931 7.9931 8.1625 8.1625 8.2510 8.2510 11.5989 11.5989 12.1105 12.1105 12.2353 12.2353 13.5045 13.5045 13.8638 13.8638 14.1512 14.1512 14.2413 14.2413 14.5617 14.5617 14.6492 14.6492 15.0268 15.0268 k = 0.1979 0.2631 0.2460 ( 4170 PWs) bands (ev): 3.5142 3.5142 3.7081 3.7081 3.8184 3.8184 3.9511 3.9511 5.3081 5.3081 5.4392 5.4392 5.5002 5.5002 5.6002 5.6002 5.7828 5.7828 5.8659 5.8659 5.9412 5.9412 6.0244 6.0244 6.6145 6.6145 6.7406 6.7406 7.0703 7.0703 7.1188 7.1188 7.3214 7.3214 7.4303 7.4303 7.5478 7.5478 7.7520 7.7520 7.9340 7.9340 7.9849 7.9849 8.1625 8.1625 8.2495 8.2495 11.6242 11.6242 12.1763 12.1763 12.2447 12.2447 13.5363 13.5363 13.8506 13.8506 14.0497 14.0497 14.2175 14.2175 14.4214 14.4214 14.5685 14.5685 14.9629 14.9629 k = 0.2083 0.2631 0.2460 ( 4162 PWs) bands (ev): 3.5459 3.5459 3.7583 3.7583 3.8495 3.8495 3.9971 3.9971 5.3205 5.3205 5.4451 5.4451 5.4967 5.4967 5.5943 5.5943 5.7969 5.7969 5.8816 5.8816 5.9497 5.9497 6.0274 6.0274 6.6124 6.6124 6.7394 6.7394 7.0656 7.0656 7.1178 7.1178 7.3214 7.3214 7.4246 7.4246 7.5590 7.5590 7.7665 7.7665 7.9285 7.9285 7.9774 7.9774 8.1625 8.1625 8.2484 8.2484 11.6398 11.6398 12.2315 12.2315 12.2522 12.2522 13.5550 13.5550 13.8318 13.8318 13.9350 13.9350 14.1728 14.1728 14.2831 14.2831 14.5260 14.5260 14.9204 14.9204 k = 0.2188 0.2631 0.2460 ( 4162 PWs) bands (ev): 3.5784 3.5784 3.8098 3.8098 3.8813 3.8813 4.0441 4.0441 5.3322 5.3322 5.4474 5.4474 5.4930 5.4930 5.5876 5.5876 5.8116 5.8116 5.8963 5.8963 5.9605 5.9605 6.0329 6.0329 6.6123 6.6123 6.7399 6.7399 7.0625 7.0625 7.1197 7.1197 7.3218 7.3218 7.4194 7.4194 7.5711 7.5711 7.7812 7.7812 7.9235 7.9235 7.9708 7.9708 8.1628 8.1628 8.2477 8.2477 11.6436 11.6436 12.2220 12.2220 12.3081 12.3081 13.5433 13.5433 13.7994 13.7994 13.8311 13.8311 14.1015 14.1015 14.1758 14.1758 14.5160 14.5160 14.8945 14.8945 k = 0.2292 0.2631 0.2460 ( 4154 PWs) bands (ev): 3.6116 3.6116 3.8622 3.8622 3.9138 3.9138 4.0918 4.0918 5.3431 5.3431 5.4445 5.4445 5.4906 5.4906 5.5799 5.5799 5.8265 5.8265 5.9088 5.9088 5.9742 5.9742 6.0417 6.0417 6.6143 6.6143 6.7422 6.7422 7.0616 7.0616 7.1241 7.1241 7.3228 7.3228 7.4149 7.4149 7.5840 7.5840 7.7957 7.7957 7.9190 7.9190 7.9656 7.9656 8.1634 8.1634 8.2475 8.2475 11.6341 11.6341 12.1902 12.1902 12.3654 12.3654 13.4766 13.4766 13.7051 13.7051 13.8017 13.8017 14.0234 14.0234 14.1162 14.1162 14.5275 14.5275 14.8809 14.8809 k = 0.2396 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.6454 3.6454 3.9149 3.9149 3.9472 3.9472 4.1400 4.1400 5.3531 5.3531 5.4358 5.4358 5.4902 5.4902 5.5711 5.5711 5.8414 5.8414 5.9188 5.9188 5.9907 5.9907 6.0542 6.0542 6.6187 6.6187 6.7463 6.7463 7.0634 7.0634 7.1308 7.1308 7.3245 7.3245 7.4113 7.4113 7.5977 7.5977 7.8098 7.8098 7.9147 7.9147 7.9622 7.9622 8.1643 8.1643 8.2477 8.2477 11.6100 11.6100 12.1415 12.1415 12.4132 12.4132 13.3573 13.3573 13.5988 13.5988 13.7894 13.7894 13.9855 13.9855 14.0842 14.0842 14.5523 14.5523 14.8765 14.8765 k = 0.2500 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.6796 3.6796 3.9655 3.9655 3.9834 3.9834 4.1883 4.1883 5.3616 5.3616 5.4230 5.4230 5.4909 5.4909 5.5613 5.5613 5.8559 5.8559 5.9266 5.9266 6.0095 6.0095 6.0707 6.0707 6.6255 6.6255 6.7522 6.7522 7.0682 7.0682 7.1395 7.1395 7.3270 7.3270 7.4088 7.4088 7.6124 7.6124 7.8229 7.8229 7.9108 7.9108 7.9610 7.9610 8.1658 8.1658 8.2484 8.2484 11.5706 11.5706 12.0764 12.0764 12.4439 12.4439 13.2118 13.2118 13.4877 13.4877 13.7866 13.7866 13.9824 13.9824 14.0777 14.0777 14.5860 14.5860 14.8792 14.8792 k = 0.2604 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.7141 3.7141 4.0065 4.0065 4.0298 4.0298 4.2365 4.2365 5.3674 5.3674 5.4083 5.4083 5.4916 5.4916 5.5503 5.5503 5.8699 5.8699 5.9328 5.9328 6.0298 6.0298 6.0912 6.0912 6.6349 6.6349 6.7598 6.7598 7.0761 7.0761 7.1503 7.1503 7.3306 7.3306 7.4077 7.4077 7.6281 7.6281 7.8347 7.8347 7.9073 7.9073 7.9624 7.9624 8.1681 8.1681 8.2496 8.2496 11.5161 11.5161 11.9960 11.9960 12.4464 12.4464 13.0554 13.0554 13.3914 13.3914 13.7949 13.7949 13.9924 13.9924 14.0979 14.0979 14.6259 14.6259 14.8875 14.8875 k = 0.2708 0.2631 0.2460 ( 4138 PWs) bands (ev): 3.7489 3.7489 4.0410 4.0410 4.0827 4.0827 4.2842 4.2842 5.3660 5.3660 5.3973 5.3973 5.4918 5.4918 5.5385 5.5385 5.8833 5.8833 5.9381 5.9381 6.0509 6.0509 6.1148 6.1148 6.6470 6.6470 6.7694 6.7694 7.0871 7.0871 7.1630 7.1630 7.3353 7.3353 7.4084 7.4084 7.6447 7.6447 7.8446 7.8446 7.9044 7.9044 7.9665 7.9665 8.1714 8.1714 8.2515 8.2515 11.4473 11.4473 11.9021 11.9021 12.4095 12.4095 12.8932 12.8932 13.3299 13.3299 13.8145 13.8145 14.0100 14.0100 14.1382 14.1382 14.6708 14.6708 14.9005 14.9005 k = 0.2812 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.7839 3.7839 4.0743 4.0743 4.1364 4.1364 4.3311 4.3311 5.3523 5.3523 5.3955 5.3955 5.4913 5.4913 5.5261 5.5261 5.8958 5.8958 5.9431 5.9431 6.0727 6.0727 6.1410 6.1410 6.6619 6.6619 6.7809 6.7809 7.1009 7.1009 7.1775 7.1775 7.3412 7.3412 7.4113 7.4113 7.6623 7.6623 7.8526 7.8526 7.9025 7.9025 7.9732 7.9732 8.1762 8.1762 8.2541 8.2541 11.3657 11.3657 11.7968 11.7968 12.3295 12.3295 12.7266 12.7266 13.3120 13.3120 13.8449 13.8449 14.0367 14.0367 14.1903 14.1903 14.7194 14.7194 14.9177 14.9177 k = 0.2917 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.8189 3.8189 4.1070 4.1070 4.1898 4.1898 4.3767 4.3767 5.3317 5.3317 5.3976 5.3976 5.4897 5.4897 5.5137 5.5137 5.9076 5.9076 5.9481 5.9481 6.0949 6.0949 6.1686 6.1686 6.6795 6.6795 6.7947 6.7947 7.1170 7.1170 7.1937 7.1937 7.3483 7.3483 7.4168 7.4168 7.6808 7.6808 7.8586 7.8586 7.9022 7.9022 7.9818 7.9818 8.1829 8.1829 8.2576 8.2576 11.2731 11.2731 11.6823 11.6823 12.2142 12.2142 12.5566 12.5566 13.3327 13.3327 13.8851 13.8851 14.0731 14.0731 14.2493 14.2493 14.7713 14.7713 14.9388 14.9388 k = 0.3021 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.8539 3.8539 4.1393 4.1393 4.2425 4.2425 4.4206 4.4206 5.3088 5.3088 5.3991 5.3991 5.4866 5.4866 5.5025 5.5025 5.9184 5.9184 5.9533 5.9533 6.1173 6.1173 6.1968 6.1968 6.6998 6.6998 6.8108 6.8108 7.1349 7.1349 7.2114 7.2114 7.3569 7.3569 7.4253 7.4253 7.7003 7.7003 7.8631 7.8631 7.9039 7.9039 7.9914 7.9914 8.1922 8.1922 8.2622 8.2622 11.1711 11.1711 11.5606 11.5606 12.0754 12.0754 12.3844 12.3844 13.3807 13.3807 13.9339 13.9339 14.1185 14.1185 14.3127 14.3127 14.8255 14.8255 14.9638 14.9638 k = 0.3125 0.2631 0.2460 ( 4152 PWs) bands (ev): 3.8889 3.8889 4.1713 4.1713 4.2938 4.2938 4.4623 4.4623 5.2850 5.2850 5.3986 5.3986 5.4812 5.4812 5.4942 5.4942 5.9284 5.9284 5.9589 5.9589 6.1397 6.1397 6.2247 6.2247 6.7228 6.7228 6.8294 6.8294 7.1539 7.1539 7.2300 7.2300 7.3673 7.3673 7.4372 7.4372 7.7204 7.7204 7.8667 7.8667 7.9080 7.9080 8.0009 8.0009 8.2048 8.2048 8.2682 8.2682 11.0617 11.0617 11.4334 11.4334 11.9229 11.9229 12.2110 12.2110 13.4467 13.4467 13.9901 13.9901 14.1718 14.1718 14.3793 14.3793 14.8813 14.8813 14.9930 14.9930 k = 0.3229 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.9237 3.9237 4.2028 4.2028 4.3434 4.3434 4.5014 4.5014 5.2611 5.2611 5.3948 5.3948 5.4743 5.4743 5.4892 5.4892 5.9373 5.9373 5.9650 5.9650 6.1620 6.1620 6.2518 6.2518 6.7484 6.7484 6.8509 6.8509 7.1732 7.1732 7.2486 7.2486 7.3802 7.3802 7.4529 7.4529 7.7411 7.7411 7.8704 7.8704 7.9148 7.9148 8.0095 8.0095 8.2211 8.2211 8.2760 8.2760 10.9464 10.9464 11.3023 11.3023 11.7626 11.7626 12.0374 12.0374 13.5242 13.5242 14.0525 14.0525 14.2318 14.2318 14.4484 14.4484 14.9374 14.9374 15.0275 15.0275 k = 0.3333 0.2631 0.2460 ( 4152 PWs) bands (ev): 3.9583 3.9583 4.2338 4.2338 4.3909 4.3909 4.5374 4.5374 5.2376 5.2376 5.3874 5.3874 5.4685 5.4685 5.4855 5.4855 5.9454 5.9454 5.9715 5.9715 6.1838 6.1838 6.2773 6.2773 6.7762 6.7762 6.8751 6.8751 7.1926 7.1926 7.2662 7.2662 7.3961 7.3961 7.4723 7.4723 7.7617 7.7617 7.8749 7.8749 7.9249 7.9249 8.0169 8.0169 8.2414 8.2414 8.2864 8.2864 10.8267 10.8267 11.1683 11.1683 11.5985 11.5985 11.8645 11.8645 13.6096 13.6096 14.1198 14.1198 14.2974 14.2974 14.5193 14.5193 14.9915 14.9915 15.0688 15.0688 k = 0.3438 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.9927 3.9927 4.2643 4.2643 4.4358 4.4358 4.5698 4.5698 5.2152 5.2152 5.3767 5.3767 5.4646 5.4646 5.4825 5.4825 5.9527 5.9527 5.9783 5.9783 6.2051 6.2051 6.3007 6.3007 6.8060 6.8060 6.9021 6.9021 7.2117 7.2117 7.2820 7.2820 7.4150 7.4150 7.4953 7.4953 7.7819 7.7819 7.8809 7.8809 7.9388 7.9388 8.0234 8.0234 8.2650 8.2650 8.3007 8.3007 10.7039 10.7039 11.0327 11.0327 11.4327 11.4327 11.6927 11.6927 13.7003 13.7003 14.1913 14.1913 14.3678 14.3678 14.5916 14.5916 15.0416 15.0416 15.1187 15.1187 k = 0.3542 0.2631 0.2460 ( 4138 PWs) bands (ev): 4.0268 4.0268 4.2942 4.2942 4.4775 4.4775 4.5982 4.5982 5.1944 5.1944 5.3639 5.3639 5.4619 5.4619 5.4799 5.4799 5.9594 5.9594 5.9851 5.9851 6.2257 6.2257 6.3219 6.3219 6.8372 6.8372 6.9317 6.9317 7.2301 7.2301 7.2958 7.2958 7.4363 7.4363 7.5214 7.5214 7.8012 7.8012 7.8885 7.8885 7.9563 7.9563 8.0306 8.0306 8.2898 8.2898 8.3217 8.3217 10.5788 10.5788 10.8962 10.8962 11.2668 11.2668 11.5226 11.5226 13.7949 13.7949 14.2658 14.2658 14.4423 14.4423 14.6652 14.6652 15.0880 15.0880 15.1764 15.1764 k = 0.3646 0.2631 0.2460 ( 4140 PWs) bands (ev): 4.0606 4.0606 4.3236 4.3236 4.5154 4.5154 4.6222 4.6222 5.1758 5.1758 5.3498 5.3498 5.4597 5.4597 5.4780 5.4780 5.9658 5.9658 5.9919 5.9919 6.2454 6.2454 6.3405 6.3405 6.8693 6.8693 6.9636 6.9636 7.2476 7.2476 7.3084 7.3084 7.4591 7.4591 7.5496 7.5496 7.8194 7.8194 7.8980 7.8980 7.9754 7.9754 8.0423 8.0423 8.3137 8.3137 8.3520 8.3520 10.4525 10.4525 10.7596 10.7596 11.1018 11.1018 11.3545 11.3545 13.8923 13.8923 14.3428 14.3428 14.5200 14.5200 14.7396 14.7396 15.1327 15.1327 15.2392 15.2392 k = 0.3750 0.2631 0.2460 ( 4146 PWs) bands (ev): 4.0940 4.0940 4.3523 4.3523 4.5488 4.5488 4.6416 4.6416 5.1598 5.1598 5.3355 5.3355 5.4577 5.4577 5.4767 5.4767 5.9719 5.9719 5.9983 5.9983 6.2641 6.2641 6.3566 6.3566 6.9014 6.9014 6.9971 6.9971 7.2638 7.2638 7.3206 7.3206 7.4825 7.4825 7.5781 7.5781 7.8359 7.8359 7.9100 7.9100 7.9917 7.9917 8.0647 8.0647 8.3381 8.3381 8.3908 8.3908 10.3258 10.3258 10.6235 10.6235 10.9384 10.9384 11.1887 11.1887 13.9916 13.9916 14.4214 14.4214 14.6005 14.6005 14.8147 14.8147 15.1776 15.1776 15.3043 15.3043 k = 0.3854 0.2631 0.2460 ( 4148 PWs) bands (ev): 4.1271 4.1271 4.3804 4.3804 4.5767 4.5767 4.6568 4.6568 5.1470 5.1470 5.3213 5.3213 5.4556 5.4556 5.4758 5.4758 5.9778 5.9778 6.0043 6.0043 6.2817 6.2817 6.3702 6.3702 6.9330 6.9330 7.0314 7.0314 7.2784 7.2784 7.3335 7.3335 7.5057 7.5057 7.6053 7.6053 7.8496 7.8496 7.9237 7.9237 8.0059 8.0059 8.1006 8.1006 8.3656 8.3656 8.4361 8.4361 10.1993 10.1993 10.4885 10.4885 10.7774 10.7774 11.0256 11.0256 14.0922 14.0922 14.5011 14.5011 14.6832 14.6832 14.8902 14.8902 15.2234 15.2234 15.3699 15.3699 k = 0.3958 0.2631 0.2460 ( 4144 PWs) bands (ev): 4.1598 4.1598 4.4078 4.4078 4.5978 4.5978 4.6685 4.6685 5.1376 5.1376 5.3076 5.3076 5.4536 5.4536 5.4753 5.4753 5.9837 5.9837 6.0098 6.0098 6.2983 6.2983 6.3815 6.3815 6.9634 6.9634 7.0654 7.0654 7.2916 7.2916 7.3475 7.3475 7.5286 7.5286 7.6300 7.6300 7.8591 7.8591 7.9349 7.9349 8.0270 8.0270 8.1474 8.1474 8.3976 8.3976 8.4870 8.4870 10.0738 10.0738 10.3552 10.3552 10.6192 10.6192 10.8654 10.8654 14.1934 14.1934 14.5809 14.5809 14.7676 14.7676 14.9657 14.9657 15.2704 15.2704 15.4344 15.4344 k = 0.4062 0.2631 0.2460 ( 4140 PWs) bands (ev): 4.1921 4.1921 4.4344 4.4344 4.6107 4.6107 4.6780 4.6780 5.1319 5.1319 5.2946 5.2946 5.4519 5.4519 5.4748 5.4748 5.9893 5.9893 6.0147 6.0147 6.3137 6.3137 6.3906 6.3906 6.9922 6.9922 7.0974 7.0974 7.3042 7.3042 7.3621 7.3621 7.5510 7.5510 7.6519 7.6519 7.8642 7.8642 7.9385 7.9385 8.0627 8.0627 8.2026 8.2026 8.4350 8.4350 8.5431 8.5431 9.9499 9.9499 10.2243 10.2243 10.4645 10.4645 10.7085 10.7085 14.2947 14.2947 14.6602 14.6602 14.8531 14.8531 15.0411 15.0411 15.3185 15.3185 15.4961 15.4961 k = 0.4167 0.2631 0.2460 ( 4144 PWs) bands (ev): 4.2241 4.2241 4.4601 4.4601 4.6149 4.6149 4.6859 4.6859 5.1298 5.1298 5.2823 5.2823 5.4506 5.4506 5.4741 5.4741 5.9949 5.9949 6.0190 6.0190 6.3280 6.3280 6.3978 6.3978 7.0190 7.0190 7.1258 7.1258 7.3172 7.3172 7.3768 7.3768 7.5728 7.5728 7.6716 7.6716 7.8654 7.8654 7.9350 7.9350 8.1125 8.1125 8.2647 8.2647 8.4778 8.4778 8.6039 8.6039 9.8284 9.8284 10.0964 10.0964 10.3137 10.3137 10.5552 10.5552 14.3953 14.3953 14.7377 14.7377 14.9393 14.9393 15.1157 15.1157 15.3673 15.3673 15.5534 15.5534 k = 0.4271 0.2631 0.2460 ( 4148 PWs) bands (ev): 4.2556 4.2556 4.4848 4.4848 4.6115 4.6115 4.6919 4.6919 5.1310 5.1310 5.2707 5.2707 5.4500 5.4500 5.4733 5.4733 6.0002 6.0002 6.0226 6.0226 6.3410 6.3410 6.4031 6.4031 7.0439 7.0439 7.1488 7.1488 7.3318 7.3318 7.3906 7.3906 7.5941 7.5941 7.6899 7.6899 7.8633 7.8633 7.9272 7.9272 8.1726 8.1726 8.3327 8.3327 8.5261 8.5261 8.6689 8.6689 9.7105 9.7105 9.9726 9.9726 10.1673 10.1673 10.4059 10.4059 14.4944 14.4944 14.8122 14.8122 15.0252 15.0252 15.1892 15.1892 15.4164 15.4164 15.6043 15.6043 k = 0.4375 0.2631 0.2460 ( 4134 PWs) bands (ev): 4.2867 4.2867 4.5078 4.5078 4.6026 4.6026 4.6949 4.6949 5.1352 5.1352 5.2595 5.2595 5.4500 5.4500 5.4722 5.4722 6.0053 6.0053 6.0255 6.0255 6.3530 6.3530 6.4068 6.4068 7.0667 7.0667 7.1654 7.1654 7.3482 7.3482 7.4030 7.4030 7.6151 7.6151 7.7075 7.7075 7.8580 7.8580 7.9168 7.9168 8.2405 8.2405 8.4059 8.4059 8.5790 8.5790 8.7369 8.7369 9.5976 9.5976 9.8541 9.8541 10.0262 10.0262 10.2611 10.2611 14.5911 14.5911 14.8817 14.8817 15.1101 15.1101 15.2606 15.2606 15.4651 15.4651 15.6473 15.6473 k = 0.4479 0.2631 0.2460 ( 4134 PWs) bands (ev): 4.3173 4.3173 4.5274 4.5274 4.5915 4.5915 4.6945 4.6945 5.1417 5.1417 5.2486 5.2486 5.4506 5.4506 5.4709 5.4709 6.0101 6.0101 6.0276 6.0276 6.3637 6.3637 6.4090 6.4090 7.0875 7.0875 7.1758 7.1758 7.3654 7.3654 7.4135 7.4135 7.6361 7.6361 7.7245 7.7245 7.8501 7.8501 7.9049 7.9049 8.3141 8.3141 8.4832 8.4832 8.6345 8.6345 8.8057 8.8057 9.4925 9.4925 9.7431 9.7431 9.8911 9.8911 10.1214 10.1214 14.6842 14.6842 14.9437 14.9437 15.1926 15.1926 15.3283 15.3283 15.5125 15.5125 15.6811 15.6811 k = 0.4583 0.2631 0.2460 ( 4128 PWs) bands (ev): 4.3474 4.3474 4.5375 4.5375 4.5855 4.5855 4.6905 4.6905 5.1501 5.1501 5.2377 5.2377 5.4518 5.4518 5.4692 5.4692 6.0145 6.0145 6.0290 6.0290 6.3734 6.3734 6.4098 6.4098 7.1063 7.1063 7.1805 7.1805 7.3823 7.3823 7.4216 7.4216 7.6573 7.6573 7.7406 7.7406 7.8401 7.8401 7.8920 7.8920 8.3919 8.3919 8.5634 8.5634 8.6891 8.6891 8.8703 8.8703 9.4003 9.4003 9.6436 9.6436 9.7630 9.7630 9.9876 9.9876 14.7722 14.7722 14.9950 14.9950 15.2708 15.2708 15.3897 15.3897 15.5581 15.5581 15.7054 15.7054 k = 0.4688 0.2631 0.2460 ( 4122 PWs) bands (ev): 4.3770 4.3770 4.5294 4.5294 4.5940 4.5940 4.6830 4.6830 5.1599 5.1599 5.2268 5.2268 5.4535 5.4535 5.4673 5.4673 6.0185 6.0185 6.0296 6.0296 6.3819 6.3819 6.4093 6.4093 7.1232 7.1232 7.1808 7.1808 7.3974 7.3974 7.4270 7.4270 7.6788 7.6788 7.7539 7.7539 7.8300 7.8300 7.8785 7.8785 8.4723 8.4723 8.6440 8.6440 8.7366 8.7366 8.9209 8.9209 9.3310 9.3310 9.5627 9.5627 9.6437 9.6437 9.8611 9.8611 14.8531 14.8531 15.0319 15.0319 15.3423 15.3423 15.4408 15.4408 15.6014 15.6014 15.7203 15.7203 k = 0.4792 0.2631 0.2460 ( 4118 PWs) bands (ev): 4.4059 4.4059 4.5102 4.5102 4.6102 4.6102 4.6726 4.6726 5.1706 5.1706 5.2158 5.2158 5.4555 5.4555 5.4651 5.4651 6.0219 6.0219 6.0295 6.0295 6.3892 6.3892 6.4076 6.4076 7.1382 7.1382 7.1774 7.1774 7.4100 7.4100 7.4297 7.4297 7.7004 7.7004 7.7603 7.7603 7.8240 7.8240 7.8646 7.8646 8.5530 8.5530 8.7160 8.7160 8.7711 8.7711 8.9422 8.9422 9.2999 9.2999 9.5103 9.5103 9.5380 9.5380 9.7441 9.7441 14.9243 14.9243 15.0505 15.0505 15.4039 15.4039 15.4759 15.4759 15.6421 15.6421 15.7262 15.7262 k = 0.4896 0.2631 0.2460 ( 4122 PWs) bands (ev): 4.4340 4.4340 4.4867 4.4867 4.6277 4.6277 4.6595 4.6595 5.1818 5.1818 5.2046 5.2046 5.4579 5.4579 5.4627 5.4627 6.0248 6.0248 6.0287 6.0287 6.3955 6.3955 6.4047 6.4047 7.1513 7.1513 7.1711 7.1711 7.4196 7.4196 7.4294 7.4294 7.7215 7.7215 7.7553 7.7553 7.8270 7.8270 7.8506 7.8506 8.6300 8.6300 8.7352 8.7352 8.8198 8.8198 8.9260 8.9260 9.3134 9.3134 9.4368 9.4368 9.5138 9.5138 9.6408 9.6408 14.9829 14.9829 15.0485 15.0485 15.4517 15.4517 15.4901 15.4901 15.6782 15.6782 15.7220 15.7220 k = 0.5000 0.2631 0.2460 ( 4116 PWs) bands (ev): 4.4611 4.4611 4.4611 4.4611 4.6444 4.6444 4.6444 4.6444 5.1932 5.1932 5.1932 5.1932 5.4603 5.4603 5.4603 5.4603 6.0271 6.0271 6.0271 6.0271 6.4007 6.4007 6.4007 6.4007 7.1623 7.1623 7.1623 7.1623 7.4260 7.4260 7.4260 7.4260 7.7407 7.7407 7.7407 7.7407 7.8373 7.8373 7.8373 7.8373 8.6958 8.6958 8.6958 8.6958 8.8809 8.8809 8.8809 8.8809 9.3623 9.3623 9.3623 9.3623 9.5592 9.5592 9.5592 9.5592 15.0253 15.0253 15.0253 15.0253 15.4816 15.4816 15.4816 15.4816 15.7060 15.7060 15.7060 15.7060 k = 0.5000 0.2631 0.2460 ( 4116 PWs) bands (ev): 4.4611 4.4611 4.4611 4.4611 4.6444 4.6444 4.6444 4.6444 5.1932 5.1932 5.1932 5.1932 5.4603 5.4603 5.4603 5.4603 6.0271 6.0271 6.0271 6.0271 6.4007 6.4007 6.4007 6.4007 7.1623 7.1623 7.1623 7.1623 7.4260 7.4260 7.4260 7.4260 7.7407 7.7407 7.7407 7.7407 7.8373 7.8373 7.8373 7.8373 8.6958 8.6958 8.6958 8.6958 8.8809 8.8809 8.8809 8.8809 9.3623 9.3623 9.3623 9.3623 9.5592 9.5592 9.5592 9.5592 15.0253 15.0253 15.0253 15.0253 15.4816 15.4816 15.4816 15.4816 15.7060 15.7060 15.7060 15.7060 k = 0.5000 0.2699 0.2388 ( 4116 PWs) bands (ev): 4.4584 4.4584 4.4601 4.4601 4.6460 4.6460 4.6471 4.6471 5.1879 5.1879 5.1963 5.1963 5.4561 5.4561 5.4671 5.4671 6.0263 6.0263 6.0275 6.0275 6.3954 6.3954 6.4057 6.4057 7.1612 7.1612 7.1632 7.1632 7.4211 7.4211 7.4277 7.4277 7.7390 7.7390 7.7411 7.7411 7.8332 7.8332 7.8424 7.8424 8.6583 8.6583 8.7174 8.7174 8.8591 8.8591 8.9199 8.9199 9.3588 9.3588 9.3683 9.3683 9.5576 9.5576 9.5680 9.5680 14.9883 14.9883 15.0158 15.0158 15.4697 15.4697 15.5032 15.5032 15.6959 15.6959 15.6968 15.6968 k = 0.5000 0.2766 0.2316 ( 4120 PWs) bands (ev): 4.4525 4.4525 4.4556 4.4556 4.6518 4.6518 4.6538 4.6538 5.1809 5.1809 5.1970 5.1970 5.4546 5.4546 5.4761 5.4761 6.0253 6.0253 6.0273 6.0273 6.3901 6.3901 6.4102 6.4102 7.1600 7.1600 7.1640 7.1640 7.4132 7.4132 7.4257 7.4257 7.7364 7.7364 7.7401 7.7401 7.8297 7.8297 7.8485 7.8485 8.6177 8.6177 8.7075 8.7075 8.8702 8.8702 8.9632 8.9632 9.3580 9.3580 9.3762 9.3762 9.5636 9.5636 9.5842 9.5842 14.9172 14.9172 14.9613 14.9613 15.4625 15.4625 15.5121 15.5121 15.6746 15.6746 15.6808 15.6808 k = 0.5000 0.2766 0.2316 ( 4120 PWs) bands (ev): 4.4525 4.4525 4.4556 4.4556 4.6518 4.6518 4.6538 4.6538 5.1809 5.1809 5.1970 5.1970 5.4546 5.4546 5.4761 5.4761 6.0253 6.0253 6.0273 6.0273 6.3901 6.3901 6.4102 6.4102 7.1600 7.1600 7.1640 7.1640 7.4132 7.4132 7.4257 7.4257 7.7364 7.7364 7.7401 7.7401 7.8297 7.8297 7.8485 7.8485 8.6177 8.6177 8.7075 8.7075 8.8702 8.8702 8.9632 8.9632 9.3580 9.3580 9.3762 9.3762 9.5636 9.5636 9.5842 9.5842 14.9172 14.9172 14.9613 14.9613 15.4625 15.4625 15.5121 15.5121 15.6746 15.6746 15.6808 15.6808 k = 0.5000 0.2760 0.2213 ( 4126 PWs) bands (ev): 4.4364 4.4364 4.4411 4.4411 4.6652 4.6652 4.6689 4.6689 5.1690 5.1690 5.1902 5.1902 5.4603 5.4603 5.4877 5.4877 6.0206 6.0206 6.0285 6.0285 6.3959 6.3959 6.4202 6.4202 7.1590 7.1590 7.1625 7.1625 7.4045 7.4045 7.4333 7.4333 7.7325 7.7325 7.7433 7.7433 7.8316 7.8316 7.8592 7.8592 8.5553 8.5553 8.6621 8.6621 8.9120 8.9120 9.0207 9.0207 9.3561 9.3561 9.3861 9.3861 9.5671 9.5671 9.5958 9.5958 14.7855 14.7855 14.8423 14.8423 15.4508 15.4508 15.5198 15.5198 15.7020 15.7020 15.7028 15.7028 k = 0.5000 0.2755 0.2111 ( 4128 PWs) bands (ev): 4.4157 4.4157 4.4212 4.4212 4.6835 4.6835 4.6882 4.6882 5.1542 5.1542 5.1788 5.1788 5.4699 5.4699 5.5016 5.5016 6.0151 6.0151 6.0281 6.0281 6.4069 6.4069 6.4343 6.4343 7.1534 7.1534 7.1642 7.1642 7.3949 7.3949 7.4399 7.4399 7.7262 7.7262 7.7442 7.7442 7.8368 7.8368 7.8737 7.8737 8.4948 8.4948 8.6066 8.6066 8.9648 8.9648 9.0767 9.0767 9.3576 9.3576 9.3980 9.3980 9.5739 9.5739 9.6102 9.6102 14.6314 14.6314 14.6905 14.6905 15.4138 15.4138 15.4771 15.4771 15.7403 15.7403 15.7467 15.7467 k = 0.5000 0.2749 0.2008 ( 4132 PWs) bands (ev): 4.3923 4.3923 4.3982 4.3982 4.7047 4.7047 4.7099 4.7099 5.1376 5.1376 5.1644 5.1644 5.4823 5.4823 5.5165 5.5165 6.0095 6.0095 6.0268 6.0268 6.4224 6.4224 6.4517 6.4517 7.1475 7.1475 7.1654 7.1654 7.3839 7.3839 7.4452 7.4452 7.7169 7.7169 7.7428 7.7428 7.8454 7.8454 7.8914 7.8914 8.4381 8.4381 8.5509 8.5509 9.0186 9.0186 9.1281 9.1281 9.3640 9.3640 9.4115 9.4115 9.5850 9.5850 9.6283 9.6283 14.4643 14.4643 14.5219 14.5219 15.3608 15.3608 15.4161 15.4161 15.7642 15.7642 15.7746 15.7746 k = 0.5000 0.2744 0.1906 ( 4142 PWs) bands (ev): 4.3673 4.3673 4.3733 4.3733 4.7273 4.7273 4.7326 4.7326 5.1202 5.1202 5.1480 5.1480 5.4960 5.4960 5.5315 5.5315 6.0042 6.0042 6.0254 6.0254 6.4415 6.4415 6.4718 6.4718 7.1416 7.1416 7.1665 7.1665 7.3712 7.3712 7.4489 7.4489 7.7042 7.7042 7.7395 7.7395 7.8570 7.8570 7.9119 7.9119 8.3867 8.3867 8.4980 8.4980 9.0698 9.0698 9.1718 9.1718 9.3769 9.3769 9.4262 9.4262 9.6016 9.6016 9.6508 9.6508 14.2894 14.2894 14.3441 14.3441 15.3000 15.3000 15.3493 15.3493 15.7613 15.7613 15.7708 15.7708 k = 0.5000 0.2738 0.1803 ( 4146 PWs) bands (ev): 4.3415 4.3415 4.3474 4.3474 4.7505 4.7505 4.7556 4.7556 5.1026 5.1026 5.1309 5.1309 5.5101 5.5101 5.5458 5.5458 5.9999 5.9999 6.0246 6.0246 6.4632 6.4632 6.4935 6.4935 7.1361 7.1361 7.1679 7.1679 7.3564 7.3564 7.4504 7.4504 7.6879 7.6879 7.7344 7.7344 7.8710 7.8710 7.9342 7.9342 8.3421 8.3421 8.4497 8.4497 9.1165 9.1165 9.2051 9.2051 9.3975 9.3975 9.4416 9.4416 9.6252 9.6252 9.6788 9.6788 14.1097 14.1097 14.1609 14.1609 15.2359 15.2359 15.2806 15.2806 15.7330 15.7330 15.7396 15.7396 k = 0.5000 0.2732 0.1701 ( 4148 PWs) bands (ev): 4.3154 4.3154 4.3212 4.3212 4.7735 4.7735 4.7784 4.7784 5.0855 5.0855 5.1139 5.1139 5.5239 5.5239 5.5589 5.5589 5.9971 5.9971 6.0251 6.0251 6.4865 6.4865 6.5162 6.5162 7.1311 7.1311 7.1698 7.1698 7.3394 7.3394 7.4490 7.4490 7.6681 7.6681 7.7277 7.7277 7.8863 7.8863 7.9572 7.9572 8.3058 8.3058 8.4076 8.4076 9.1577 9.1577 9.2278 9.2278 9.4248 9.4248 9.4572 9.4572 9.6568 9.6568 9.7133 9.7133 13.9273 13.9273 13.9750 13.9750 15.1705 15.1705 15.2117 15.2117 15.6877 15.6877 15.6916 15.6916 k = 0.5000 0.2727 0.1598 ( 4152 PWs) bands (ev): 4.2894 4.2894 4.2949 4.2949 4.7959 4.7959 4.8002 4.8002 5.0695 5.0695 5.0977 5.0977 5.5367 5.5367 5.5704 5.5704 5.9962 5.9962 6.0276 6.0276 6.5108 6.5108 6.5390 6.5390 7.1266 7.1266 7.1727 7.1727 7.3202 7.3202 7.4436 7.4436 7.6458 7.6458 7.7195 7.7195 7.9018 7.9018 7.9795 7.9795 8.2791 8.2791 8.3729 8.3729 9.1931 9.1931 9.2423 9.2423 9.4556 9.4556 9.4731 9.4731 9.6964 9.6964 9.7548 9.7548 13.7436 13.7436 13.7877 13.7877 15.1049 15.1049 15.1434 15.1434 15.6332 15.6332 15.6351 15.6351 k = 0.5000 0.2721 0.1496 ( 4148 PWs) bands (ev): 4.2637 4.2637 4.2689 4.2689 4.8171 4.8171 4.8208 4.8208 5.0550 5.0550 5.0829 5.0829 5.5483 5.5483 5.5799 5.5799 5.9975 5.9975 6.0324 6.0324 6.5350 6.5350 6.5612 6.5612 7.1226 7.1226 7.1768 7.1768 7.2990 7.2990 7.4330 7.4330 7.6224 7.6224 7.7101 7.7101 7.9161 7.9161 7.9993 7.9993 8.2631 8.2631 8.3473 8.3473 9.2229 9.2229 9.2516 9.2516 9.4872 9.4872 9.4897 9.4897 9.7432 9.7432 9.8030 9.8030 13.5598 13.5598 13.6004 13.6004 15.0398 15.0398 15.0761 15.0761 15.5744 15.5744 15.5749 15.5749 k = 0.5000 0.2715 0.1393 ( 4160 PWs) bands (ev): 4.2385 4.2385 4.2434 4.2434 4.8365 4.8365 4.8394 4.8394 5.0427 5.0427 5.0701 5.0701 5.5582 5.5582 5.5874 5.5874 6.0014 6.0014 6.0398 6.0398 6.5585 6.5585 6.5823 6.5823 7.1185 7.1185 7.1821 7.1821 7.2767 7.2767 7.4158 7.4158 7.5998 7.5998 7.6997 7.6997 7.9281 7.9281 8.0148 8.0148 8.2581 8.2581 8.3323 8.3323 9.2477 9.2477 9.2581 9.2581 9.5079 9.5079 9.5182 9.5182 9.7958 9.7958 9.8570 9.8570 13.3767 13.3767 13.4138 13.4138 14.9755 14.9755 15.0099 15.0099 15.5138 15.5138 15.5142 15.5142 k = 0.5000 0.2710 0.1291 ( 4156 PWs) bands (ev): 4.2141 4.2141 4.2187 4.2187 4.8534 4.8534 4.8556 4.8556 5.0332 5.0332 5.0599 5.0599 5.5665 5.5665 5.5929 5.5929 6.0080 6.0080 6.0499 6.0499 6.5805 6.5805 6.6017 6.6017 7.1131 7.1131 7.1887 7.1887 7.2548 7.2548 7.3913 7.3913 7.5800 7.5800 7.6883 7.6883 7.9370 7.9370 8.0244 8.0244 8.2635 8.2635 8.3286 8.3286 9.2631 9.2631 9.2681 9.2681 9.5288 9.5288 9.5486 9.5486 9.8528 9.8528 9.9154 9.9154 13.1950 13.1950 13.2286 13.2286 14.9123 14.9123 14.9451 14.9451 15.4535 15.4535 15.4547 15.4547 k = 0.5000 0.2704 0.1188 ( 4150 PWs) bands (ev): 4.1907 4.1907 4.1949 4.1949 4.8671 4.8671 4.8687 4.8687 5.0272 5.0272 5.0530 5.0530 5.5731 5.5731 5.5966 5.5966 6.0175 6.0175 6.0628 6.0628 6.6006 6.6006 6.6189 6.6189 7.1045 7.1045 7.1961 7.1961 7.2359 7.2359 7.3601 7.3601 7.5638 7.5638 7.6762 7.6762 7.9429 7.9429 8.0278 8.0278 8.2782 8.2782 8.3356 8.3356 9.2674 9.2674 9.2845 9.2845 9.5533 9.5533 9.5791 9.5791 9.9125 9.9125 9.9767 9.9767 13.0154 13.0154 13.0455 13.0455 14.8506 14.8506 14.8817 14.8817 15.3952 15.3952 15.3969 15.3969 k = 0.5000 0.2699 0.1086 ( 4152 PWs) bands (ev): 4.1683 4.1683 4.1722 4.1722 4.8769 4.8769 4.8782 4.8782 5.0253 5.0253 5.0496 5.0496 5.5782 5.5782 5.5987 5.5987 6.0297 6.0297 6.0782 6.0782 6.6181 6.6181 6.6336 6.6336 7.0901 7.0901 7.2027 7.2027 7.2229 7.2229 7.3251 7.3251 7.5508 7.5508 7.6636 7.6636 7.9463 7.9463 8.0262 8.0262 8.2999 8.2999 8.3513 8.3513 9.2715 9.2715 9.2976 9.2976 9.5822 9.5822 9.6107 9.6107 9.9737 9.9737 10.0397 10.0397 12.8385 12.8385 12.8650 12.8650 14.7906 14.7906 14.8199 14.8199 15.3398 15.3398 15.3419 15.3419 k = 0.5000 0.2693 0.0983 ( 4144 PWs) bands (ev): 4.1473 4.1473 4.1507 4.1507 4.8826 4.8826 4.8840 4.8840 5.0275 5.0275 5.0499 5.0499 5.5818 5.5818 5.5995 5.5995 6.0448 6.0448 6.0961 6.0961 6.6326 6.6326 6.6456 6.6456 7.0688 7.0688 7.2043 7.2043 7.2176 7.2176 7.2926 7.2926 7.5401 7.5401 7.6505 7.6505 7.9480 7.9480 8.0212 8.0212 8.3264 8.3264 8.3729 8.3729 9.2757 9.2757 9.3077 9.3077 9.6160 9.6160 9.6440 9.6440 10.0356 10.0356 10.1033 10.1033 12.6648 12.6648 12.6876 12.6876 14.7326 14.7326 14.7601 14.7601 15.2879 15.2879 15.2902 15.2902 k = 0.5000 0.2687 0.0881 ( 4142 PWs) bands (ev): 4.1275 4.1275 4.1306 4.1306 4.8846 4.8846 4.8864 4.8864 5.0334 5.0334 5.0535 5.0535 5.5843 5.5843 5.5992 5.5992 6.0624 6.0624 6.1162 6.1162 6.6436 6.6436 6.6547 6.6547 7.0421 7.0421 7.1898 7.1898 7.2193 7.2193 7.2751 7.2751 7.5308 7.5308 7.6372 7.6372 7.9486 7.9486 8.0144 8.0144 8.3556 8.3556 8.3976 8.3976 9.2800 9.2800 9.3153 9.3153 9.6548 9.6548 9.6796 9.6796 10.0973 10.0973 10.1669 10.1669 12.4949 12.4949 12.5139 12.5139 14.6770 14.6770 14.7026 14.7026 15.2399 15.2399 15.2423 15.2423 k = 0.5000 0.2682 0.0778 ( 4138 PWs) bands (ev): 4.1093 4.1093 4.1121 4.1121 4.8838 4.8838 4.8861 4.8861 5.0417 5.0417 5.0594 5.0594 5.5857 5.5857 5.5981 5.5981 6.0825 6.0825 6.1381 6.1381 6.6507 6.6507 6.6606 6.6606 7.0128 7.0128 7.1568 7.1568 7.2262 7.2262 7.2765 7.2765 7.5225 7.5225 7.6237 7.6237 7.9487 7.9487 8.0069 8.0069 8.3858 8.3858 8.4234 8.4234 9.2844 9.2844 9.3209 9.3209 9.6984 9.6984 9.7180 9.7180 10.1585 10.1585 10.2297 10.2297 12.3296 12.3296 12.3445 12.3445 14.6242 14.6242 14.6479 14.6479 15.1962 15.1962 15.1986 15.1986 k = 0.5000 0.2676 0.0676 ( 4138 PWs) bands (ev): 4.0928 4.0928 4.0952 4.0952 4.8815 4.8815 4.8841 4.8841 5.0514 5.0514 5.0667 5.0667 5.5864 5.5864 5.5966 5.5966 6.1048 6.1048 6.1616 6.1616 6.6535 6.6535 6.6634 6.6634 6.9833 6.9833 7.1163 7.1163 7.2365 7.2365 7.2865 7.2865 7.5148 7.5148 7.6101 7.6101 7.9486 7.9486 7.9994 7.9994 8.4156 8.4156 8.4486 8.4486 9.2890 9.2890 9.3248 9.3248 9.7460 9.7460 9.7592 9.7592 10.2189 10.2189 10.2914 10.2914 12.1694 12.1694 12.1802 12.1802 14.5750 14.5750 14.5965 14.5965 15.1569 15.1569 15.1593 15.1593 k = 0.5000 0.2671 0.0573 ( 4134 PWs) bands (ev): 4.0779 4.0779 4.0800 4.0800 4.8783 4.8783 4.8811 4.8811 5.0614 5.0614 5.0745 5.0745 5.5866 5.5866 5.5947 5.5947 6.1290 6.1290 6.1861 6.1861 6.6515 6.6515 6.6628 6.6628 6.9560 6.9560 7.0750 7.0750 7.2491 7.2491 7.2993 7.2993 7.5077 7.5077 7.5963 7.5963 7.9485 7.9485 7.9921 7.9921 8.4436 8.4436 8.4720 8.4720 9.2936 9.2936 9.3273 9.3273 9.7966 9.7966 9.8026 9.8026 10.2785 10.2785 10.3518 10.3518 12.0154 12.0154 12.0218 12.0218 14.5297 14.5297 14.5489 14.5489 15.1223 15.1223 15.1244 15.1244 k = 0.5000 0.2665 0.0471 ( 4134 PWs) bands (ev): 4.0649 4.0649 4.0667 4.0667 4.8750 4.8750 4.8777 4.8777 5.0711 5.0711 5.0820 5.0820 5.5863 5.5863 5.5927 5.5927 6.1546 6.1546 6.2110 6.2110 6.6449 6.6449 6.6587 6.6587 6.9324 6.9324 7.0356 7.0356 7.2631 7.2631 7.3126 7.3126 7.5012 7.5012 7.5825 7.5825 7.9486 7.9486 7.9854 7.9854 8.4692 8.4692 8.4931 8.4931 9.2982 9.2982 9.3287 9.3287 9.8474 9.8474 9.8482 9.8482 10.3376 10.3376 10.4107 10.4107 11.8687 11.8687 11.8705 11.8705 14.4891 14.4891 14.5059 14.5059 15.0923 15.0923 15.0942 15.0942 k = 0.5000 0.2659 0.0368 ( 4136 PWs) bands (ev): 4.0538 4.0538 4.0552 4.0552 4.8718 4.8718 4.8742 4.8742 5.0800 5.0800 5.0889 5.0889 5.5859 5.5859 5.5908 5.5908 6.1813 6.1813 6.2354 6.2354 6.6339 6.6339 6.6510 6.6510 6.9139 6.9139 6.9999 6.9999 7.2776 7.2776 7.3250 7.3250 7.4959 7.4959 7.5687 7.5687 7.9490 7.9490 7.9792 7.9792 8.4917 8.4917 8.5111 8.5111 9.3028 9.3028 9.3291 9.3291 9.8921 9.8921 9.8985 9.8985 10.3967 10.3967 10.4679 10.4679 11.7281 11.7281 11.7308 11.7308 14.4537 14.4537 14.4679 14.4679 15.0669 15.0669 15.0686 15.0686 k = 0.5000 0.2654 0.0266 ( 4140 PWs) bands (ev): 4.0446 4.0446 4.0457 4.0457 4.8690 4.8690 4.8711 4.8711 5.0878 5.0878 5.0948 5.0948 5.5854 5.5854 5.5891 5.5891 6.2081 6.2081 6.2580 6.2580 6.6202 6.6202 6.6402 6.6402 6.9008 6.9008 6.9689 6.9689 7.2922 7.2922 7.3353 7.3353 7.4922 7.4922 7.5550 7.5550 7.9497 7.9497 7.9736 7.9736 8.5107 8.5107 8.5258 8.5258 9.3071 9.3071 9.3288 9.3288 9.9346 9.9346 9.9446 9.9446 10.4560 10.4560 10.5226 10.5226 11.5972 11.5972 11.6040 11.6040 14.4242 14.4242 14.4356 14.4356 15.0463 15.0463 15.0477 15.0477 k = 0.5000 0.2648 0.0163 ( 4144 PWs) bands (ev): 4.0374 4.0374 4.0383 4.0383 4.8668 4.8668 4.8684 4.8684 5.0942 5.0942 5.0994 5.0994 5.5850 5.5850 5.5876 5.5876 6.2342 6.2342 6.2770 6.2770 6.6060 6.6060 6.6268 6.6268 6.8931 6.8931 6.9432 6.9432 7.3063 7.3063 7.3425 7.3425 7.4910 7.4910 7.5416 7.5416 7.9509 7.9509 7.9687 7.9687 8.5259 8.5259 8.5370 8.5370 9.3112 9.3112 9.3278 9.3278 9.9724 9.9724 9.9835 9.9835 10.5147 10.5147 10.5729 10.5729 11.4818 11.4818 11.4917 11.4917 14.4009 14.4009 14.4096 14.4096 15.0303 15.0303 15.0313 15.0313 k = 0.5000 0.2642 0.0061 ( 4156 PWs) bands (ev): 4.0323 4.0323 4.0329 4.0329 4.8653 4.8653 4.8664 4.8664 5.0991 5.0991 5.1025 5.1025 5.5847 5.5847 5.5863 5.5863 6.2581 6.2581 6.2902 6.2902 6.5947 6.5947 6.6125 6.6125 6.8902 6.8902 6.9229 6.9229 7.3192 7.3192 7.3456 7.3456 7.4929 7.4929 7.5287 7.5287 7.9525 7.9525 7.9643 7.9643 8.5373 8.5373 8.5446 8.5446 9.3150 9.3150 9.3262 9.3262 10.0029 10.0029 10.0123 10.0123 10.5700 10.5700 10.6146 10.6146 11.3886 11.3886 11.3991 11.3991 14.3844 14.3844 14.3902 14.3902 15.0189 15.0189 15.0196 15.0196 k = 0.5000 0.2637-0.0042 ( 4162 PWs) bands (ev): 4.0293 4.0293 4.0296 4.0296 4.8644 4.8644 4.8650 4.8650 5.1024 5.1024 5.1041 5.1041 5.5847 5.5847 5.5855 5.5855 6.2778 6.2778 6.2953 6.2953 6.5892 6.5892 6.5996 6.5996 6.8917 6.8917 6.9078 6.9078 7.3304 7.3304 7.3444 7.3444 7.4981 7.4981 7.5167 7.5167 7.9547 7.9547 7.9605 7.9605 8.5448 8.5448 8.5484 8.5484 9.3184 9.3184 9.3240 9.3240 10.0237 10.0237 10.0291 10.0291 10.6154 10.6154 10.6402 10.6402 11.3274 11.3274 11.3345 11.3345 14.3749 14.3749 14.3778 14.3778 15.0122 15.0122 15.0126 15.0126 k = 0.5000 0.2631-0.0144 ( 4156 PWs) bands (ev): 4.0284 4.0284 4.0284 4.0284 4.8644 4.8644 4.8644 4.8644 5.1041 5.1041 5.1041 5.1041 5.5849 5.5849 5.5849 5.5849 6.2909 6.2909 6.2909 6.2909 6.5910 6.5910 6.5910 6.5910 6.8976 6.8976 6.8976 6.8976 7.3391 7.3391 7.3391 7.3391 7.5063 7.5063 7.5063 7.5063 7.9573 7.9573 7.9573 7.9573 8.5485 8.5485 8.5485 8.5485 9.3214 9.3214 9.3214 9.3214 10.0328 10.0328 10.0328 10.0328 10.6411 10.6411 10.6411 10.6411 11.3083 11.3083 11.3083 11.3083 14.3727 14.3727 14.3727 14.3727 15.0101 15.0101 15.0101 15.0101 k = 0.5000 0.2631-0.0144 ( 4156 PWs) bands (ev): 4.0284 4.0284 4.0284 4.0284 4.8644 4.8644 4.8644 4.8644 5.1041 5.1041 5.1041 5.1041 5.5849 5.5849 5.5849 5.5849 6.2909 6.2909 6.2909 6.2909 6.5910 6.5910 6.5910 6.5910 6.8976 6.8976 6.8976 6.8976 7.3391 7.3391 7.3391 7.3391 7.5063 7.5063 7.5063 7.5063 7.9573 7.9573 7.9573 7.9573 8.5485 8.5485 8.5485 8.5485 9.3214 9.3214 9.3214 9.3214 10.0328 10.0328 10.0328 10.0328 10.6411 10.6411 10.6411 10.6411 11.3083 11.3083 11.3083 11.3083 14.3727 14.3727 14.3727 14.3727 15.0101 15.0101 15.0101 15.0101 k = 0.4896 0.2631-0.0144 ( 4154 PWs) bands (ev): 4.0194 4.0194 4.0340 4.0340 4.8574 4.8574 4.8697 4.8697 5.0988 5.0988 5.1114 5.1114 5.5823 5.5823 5.5874 5.5874 6.2588 6.2588 6.3193 6.3193 6.5751 6.5751 6.6071 6.6071 6.8754 6.8754 6.9200 6.9200 7.3343 7.3343 7.3433 7.3433 7.4973 7.4973 7.5128 7.5128 7.9496 7.9496 7.9657 7.9657 8.5385 8.5385 8.5523 8.5523 9.3176 9.3176 9.3363 9.3363 10.0088 10.0088 10.0485 10.0485 10.5942 10.5942 10.6526 10.6526 11.3063 11.3063 11.3622 11.3622 14.3616 14.3616 14.3876 14.3876 14.9902 14.9902 15.0223 15.0223 k = 0.4792 0.2631-0.0144 ( 4154 PWs) bands (ev): 4.0071 4.0071 4.0364 4.0364 4.8494 4.8494 4.8729 4.8729 5.0959 5.0959 5.1202 5.1202 5.5795 5.5795 5.5898 5.5898 6.2242 6.2242 6.3425 6.3425 6.5598 6.5598 6.6229 6.6229 6.8547 6.8547 6.9416 6.9416 7.3289 7.3289 7.3470 7.3470 7.4860 7.4860 7.5164 7.5164 7.9424 7.9424 7.9747 7.9747 8.5229 8.5229 8.5495 8.5495 9.3250 9.3250 9.3614 9.3614 9.9770 9.9770 10.0554 10.0554 10.5270 10.5270 10.6266 10.6266 11.3583 11.3583 11.4532 11.4532 14.3541 14.3541 14.4060 14.4060 14.9639 14.9639 15.0269 15.0269 k = 0.4688 0.2631-0.0144 ( 4154 PWs) bands (ev): 3.9915 3.9915 4.0353 4.0353 4.8409 4.8409 4.8736 4.8736 5.0960 5.0960 5.1300 5.1300 5.5765 5.5765 5.5921 5.5921 6.1882 6.1882 6.3585 6.3585 6.5463 6.5463 6.6382 6.6382 6.8366 6.8366 6.9617 6.9617 7.3223 7.3223 7.3503 7.3503 7.4732 7.4732 7.5171 7.5171 7.9353 7.9353 7.9842 7.9842 8.5026 8.5026 8.5403 8.5403 9.3433 9.3433 9.3954 9.3954 9.9384 9.9384 10.0528 10.0528 10.4538 10.4538 10.5765 10.5765 11.4507 11.4507 11.5678 11.5678 14.3495 14.3495 14.4266 14.4266 14.9336 14.9336 15.0253 15.0253 k = 0.4583 0.2631-0.0144 ( 4162 PWs) bands (ev): 3.9724 3.9724 4.0308 4.0308 4.8324 4.8324 4.8715 4.8715 5.0990 5.0990 5.1404 5.1404 5.5734 5.5734 5.5944 5.5944 6.1515 6.1515 6.3656 6.3656 6.5358 6.5358 6.6526 6.6526 6.8222 6.8222 6.9793 6.9793 7.3141 7.3141 7.3530 7.3530 7.4598 7.4598 7.5149 7.5149 7.9280 7.9280 7.9939 7.9939 8.4783 8.4783 8.5251 8.5251 9.3713 9.3713 9.4360 9.4360 9.8955 9.8955 10.0395 10.0395 10.3843 10.3843 10.5169 10.5169 11.5688 11.5688 11.6977 11.6977 14.3466 14.3466 14.4473 14.4473 14.9032 14.9032 15.0199 15.0199 k = 0.4479 0.2631-0.0144 ( 4156 PWs) bands (ev): 3.9500 3.9500 4.0229 4.0229 4.8241 4.8241 4.8670 4.8670 5.1050 5.1050 5.1511 5.1511 5.5701 5.5701 5.5968 5.5968 6.1149 6.1149 6.3625 6.3625 6.5295 6.5295 6.6654 6.6654 6.8127 6.8127 6.9941 6.9941 7.3036 7.3036 7.3548 7.3548 7.4466 7.4466 7.5102 7.5102 7.9199 7.9199 8.0035 8.0035 8.4509 8.4509 8.5046 8.5046 9.4071 9.4071 9.4794 9.4794 9.8531 9.8531 10.0142 10.0142 10.3247 10.3247 10.4566 10.4566 11.7030 11.7030 11.8381 11.8381 14.3436 14.3436 14.4639 14.4639 14.8782 14.8782 15.0141 15.0141 k = 0.4375 0.2631-0.0144 ( 4154 PWs) bands (ev): 3.9242 3.9242 4.0113 4.0113 4.8164 4.8164 4.8603 4.8603 5.1133 5.1133 5.1619 5.1619 5.5667 5.5667 5.5995 5.5995 6.0791 6.0791 6.3500 6.3500 6.5270 6.5270 6.6756 6.6756 6.8088 6.8088 7.0057 7.0057 7.2903 7.2903 7.3554 7.3554 7.4348 7.4348 7.5031 7.5031 7.9104 7.9104 8.0126 8.0126 8.4213 8.4213 8.4796 8.4796 9.4477 9.4477 9.5183 9.5183 9.8203 9.8203 9.9771 9.9771 10.2784 10.2784 10.4000 10.4000 11.8479 11.8479 11.9863 11.9863 14.3386 14.3386 14.4709 14.4709 14.8656 14.8656 15.0114 15.0114 k = 0.4271 0.2631-0.0144 ( 4152 PWs) bands (ev): 3.8949 3.8949 3.9960 3.9960 4.8095 4.8095 4.8521 4.8521 5.1237 5.1237 5.1727 5.1727 5.5633 5.5633 5.6024 5.6024 6.0444 6.0444 6.3302 6.3302 6.5267 6.5267 6.6827 6.6827 6.8108 6.8108 7.0139 7.0139 7.2737 7.2737 7.3543 7.3543 7.4253 7.4253 7.4940 7.4940 7.8989 7.8989 8.0207 8.0207 8.3901 8.3901 8.4512 8.4512 9.4860 9.4860 9.5424 9.5424 9.8125 9.8125 9.9321 9.9321 10.2453 10.2453 10.3491 10.3491 12.0003 12.0003 12.1406 12.1406 14.3295 14.3295 14.4630 14.4630 14.8718 14.8718 15.0154 15.0154 k = 0.4167 0.2631-0.0144 ( 4154 PWs) bands (ev): 3.8624 3.8624 3.9768 3.9768 4.8034 4.8034 4.8430 4.8430 5.1354 5.1354 5.1833 5.1833 5.5598 5.5598 5.6057 5.6057 6.0114 6.0114 6.3057 6.3057 6.5269 6.5269 6.6869 6.6869 6.8176 6.8176 7.0188 7.0188 7.2539 7.2539 7.3509 7.3509 7.4184 7.4184 7.4835 7.4835 7.8851 7.8851 8.0270 8.0270 8.3579 8.3579 8.4204 8.4204 9.4990 9.4990 9.5585 9.5585 9.8403 9.8403 9.8866 9.8866 10.2223 10.2223 10.3066 10.3066 12.1582 12.1582 12.2996 12.2996 14.3147 14.3147 14.4393 14.4393 14.8989 14.8989 15.0291 15.0291 k = 0.4062 0.2631-0.0144 ( 4156 PWs) bands (ev): 3.8267 3.8267 3.9538 3.9538 4.7983 4.7983 4.8335 4.8335 5.1480 5.1480 5.1937 5.1937 5.5565 5.5565 5.6094 5.6094 5.9802 5.9802 6.2782 6.2782 6.5267 6.5267 6.6888 6.6888 6.8275 6.8275 7.0204 7.0204 7.2313 7.2313 7.3449 7.3449 7.4139 7.4139 7.4719 7.4719 7.8686 7.8686 8.0308 8.0308 8.3253 8.3253 8.3887 8.3887 9.4735 9.4735 9.5778 9.5778 9.8507 9.8507 9.8956 9.8956 10.2039 10.2039 10.2789 10.2789 12.3202 12.3202 12.4623 12.4623 14.2932 14.2932 14.4032 14.4032 14.9443 14.9443 15.0545 15.0545 k = 0.3958 0.2631-0.0144 ( 4162 PWs) bands (ev): 3.7880 3.7880 3.9269 3.9269 4.7941 4.7941 4.8243 4.8243 5.1609 5.1609 5.2039 5.2039 5.5533 5.5533 5.6137 5.6137 5.9510 5.9510 6.2491 6.2491 6.5258 6.5258 6.6894 6.6894 6.8385 6.8385 7.0189 7.0189 7.2066 7.2066 7.3364 7.3364 7.4108 7.4108 7.4602 7.4602 7.8494 7.8494 8.0310 8.0310 8.2933 8.2933 8.3575 8.3575 9.4328 9.4328 9.5783 9.5783 9.8337 9.8337 9.9616 9.9616 10.1856 10.1856 10.2765 10.2765 12.4850 12.4850 12.6277 12.6277 14.2652 14.2652 14.3598 14.3598 15.0035 15.0035 15.0926 15.0926 k = 0.3854 0.2631-0.0144 ( 4170 PWs) bands (ev): 3.7464 3.7464 3.8962 3.8962 4.7905 4.7905 4.8159 4.8159 5.1736 5.1736 5.2142 5.2142 5.5505 5.5505 5.6185 5.6185 5.9239 5.9239 6.2194 6.2194 6.5240 6.5240 6.6892 6.6892 6.8485 6.8485 7.0148 7.0148 7.1806 7.1806 7.3255 7.3255 7.4076 7.4076 7.4491 7.4491 7.8278 7.8278 8.0261 8.0261 8.2631 8.2631 8.3279 8.3279 9.3885 9.3885 9.5538 9.5538 9.8330 9.8330 10.0163 10.0163 10.1824 10.1824 10.3031 10.3031 12.6514 12.6514 12.7948 12.7948 14.2317 14.2317 14.3135 14.3135 15.0732 15.0732 15.1432 15.1432 k = 0.3750 0.2631-0.0144 ( 4164 PWs) bands (ev): 3.7022 3.7022 3.8617 3.8617 4.7872 4.7872 4.8090 4.8090 5.1854 5.1854 5.2246 5.2246 5.5481 5.5481 5.6239 5.6239 5.8989 5.8989 6.1895 6.1895 6.5213 6.5213 6.6884 6.6884 6.8556 6.8556 7.0086 7.0086 7.1539 7.1539 7.3126 7.3126 7.4027 7.4027 7.4403 7.4403 7.8043 7.8043 8.0148 8.0148 8.2366 8.2366 8.3008 8.3008 9.3449 9.3449 9.5137 9.5137 9.8354 9.8354 10.0284 10.0284 10.2264 10.2264 10.3566 10.3566 12.8181 12.8181 12.9622 12.9622 14.1946 14.1946 14.2678 14.2678 15.1504 15.1504 15.2060 15.2060 k = 0.3646 0.2631-0.0144 ( 4166 PWs) bands (ev): 3.6556 3.6556 3.8236 3.8236 4.7837 4.7837 4.8042 4.8042 5.1961 5.1961 5.2354 5.2354 5.5462 5.5462 5.6298 5.6298 5.8758 5.8758 6.1600 6.1600 6.5181 6.5181 6.6869 6.6869 6.8579 6.8579 7.0010 7.0010 7.1274 7.1274 7.2983 7.2983 7.3948 7.3948 7.4346 7.4346 7.7796 7.7796 7.9961 7.9961 8.2154 8.2154 8.2765 8.2765 9.3038 9.3038 9.4672 9.4672 9.8315 9.8315 10.0069 10.0069 10.3094 10.3094 10.4332 10.4332 12.9832 12.9832 13.1281 13.1281 14.1563 14.1563 14.2261 14.2261 15.2332 15.2332 15.2804 15.2804 k = 0.3542 0.2631-0.0144 ( 4166 PWs) bands (ev): 3.6070 3.6070 3.7822 3.7822 4.7796 4.7796 4.8019 4.8019 5.2052 5.2052 5.2467 5.2467 5.5450 5.5450 5.6362 5.6362 5.8545 5.8545 6.1310 6.1310 6.5143 6.5143 6.6844 6.6844 6.8537 6.8537 6.9922 6.9922 7.1022 7.1022 7.2832 7.2832 7.3840 7.3840 7.4317 7.4317 7.7544 7.7544 7.9708 7.9708 8.2000 8.2000 8.2549 8.2549 9.2655 9.2655 9.4191 9.4191 9.8193 9.8193 9.9746 9.9746 10.4092 10.4092 10.5273 10.5273 13.1436 13.1436 13.2890 13.2890 14.1209 14.1209 14.1922 14.1922 15.3205 15.3205 15.3652 15.3652 k = 0.3438 0.2631-0.0144 ( 4168 PWs) bands (ev): 3.5565 3.5565 3.7378 3.7378 4.7754 4.7754 4.8017 4.8017 5.2130 5.2130 5.2582 5.2582 5.5444 5.5444 5.6429 5.6429 5.8349 5.8349 6.1027 6.1027 6.5101 6.5101 6.6802 6.6802 6.8426 6.8426 6.9802 6.9802 7.0806 7.0806 7.2684 7.2684 7.3715 7.3715 7.4303 7.4303 7.7297 7.7297 7.9408 7.9408 8.1892 8.1892 8.2359 8.2359 9.2303 9.2303 9.3716 9.3716 9.7997 9.7997 9.9393 9.9393 10.5181 10.5181 10.6338 10.6338 13.2945 13.2945 13.4388 13.4388 14.0951 14.0951 14.1719 14.1719 15.4122 15.4122 15.4586 15.4586 k = 0.3333 0.2631-0.0144 ( 4172 PWs) bands (ev): 3.5046 3.5046 3.6908 3.6908 4.7714 4.7714 4.8031 4.8031 5.2194 5.2194 5.2697 5.2697 5.5444 5.5444 5.6498 5.6498 5.8167 5.8167 6.0753 6.0753 6.5056 6.5056 6.6735 6.6735 6.8260 6.8260 6.9608 6.9608 7.0664 7.0664 7.2549 7.2549 7.3581 7.3581 7.4295 7.4295 7.7061 7.7061 7.9088 7.9088 8.1813 8.1813 8.2195 8.2195 9.1978 9.1978 9.3257 9.3257 9.7744 9.7744 9.9034 9.9034 10.6333 10.6333 10.7487 10.7487 13.4272 13.4272 13.5654 13.5654 14.0903 14.0903 14.1750 14.1750 15.5083 15.5083 15.5585 15.5585 k = 0.3229 0.2631-0.0144 ( 4176 PWs) bands (ev): 3.4514 3.4514 3.6415 3.6415 4.7679 4.7679 4.8056 4.8056 5.2248 5.2248 5.2808 5.2808 5.5451 5.5451 5.6566 5.6566 5.7998 5.7998 6.0489 6.0489 6.5007 6.5007 6.6629 6.6629 6.8067 6.8067 6.9316 6.9316 7.0608 7.0608 7.2432 7.2432 7.3444 7.3444 7.4284 7.4284 7.6843 7.6843 7.8770 7.8770 8.1744 8.1744 8.2061 8.2061 9.1679 9.1679 9.2818 9.2818 9.7448 9.7448 9.8681 9.8681 10.7531 10.7531 10.8694 10.8694 13.5288 13.5288 13.6511 13.6511 14.1235 14.1235 14.2160 14.2160 15.6088 15.6088 15.6634 15.6634 k = 0.3125 0.2631-0.0144 ( 4180 PWs) bands (ev): 3.3974 3.3974 3.5902 3.5902 4.7652 4.7652 4.8088 4.8088 5.2293 5.2293 5.2914 5.2914 5.5463 5.5463 5.6632 5.6632 5.7841 5.7841 6.0236 6.0236 6.4955 6.4955 6.6470 6.6470 6.7874 6.7874 6.8941 6.8941 7.0616 7.0616 7.2336 7.2336 7.3308 7.3308 7.4268 7.4268 7.6647 7.6647 7.8471 7.8471 8.1665 8.1665 8.1963 8.1963 9.1400 9.1400 9.2399 9.2399 9.7118 9.7118 9.8335 9.8335 10.8760 10.8760 10.9935 10.9935 13.5889 13.5889 13.6885 13.6885 14.2036 14.2036 14.3040 14.3040 15.7126 15.7126 15.7718 15.7718 k = 0.3021 0.2631-0.0144 ( 4178 PWs) bands (ev): 3.3427 3.3427 3.5375 3.5375 4.7630 4.7630 4.8127 4.8127 5.2332 5.2332 5.3010 5.3010 5.5478 5.5478 5.6691 5.6691 5.7695 5.7695 5.9993 5.9993 6.4898 6.4898 6.6251 6.6251 6.7699 6.7699 6.8518 6.8518 7.0659 7.0659 7.2263 7.2263 7.3177 7.3177 7.4241 7.4241 7.6476 7.6476 7.8199 7.8199 8.1569 8.1569 8.1900 8.1900 9.1138 9.1138 9.2002 9.2002 9.6766 9.6766 9.7999 9.7999 11.0008 11.0008 11.1196 11.1196 13.6110 13.6110 13.6923 13.6923 14.3217 14.3217 14.4305 14.4305 15.8172 15.8172 15.8827 15.8827 k = 0.2917 0.2631-0.0144 ( 4178 PWs) bands (ev): 3.2878 3.2878 3.4838 3.4838 4.7615 4.7615 4.8169 4.8169 5.2365 5.2365 5.3096 5.3096 5.5496 5.5496 5.6738 5.6738 5.7561 5.7561 5.9762 5.9762 6.4831 6.4831 6.5979 6.5979 6.7526 6.7526 6.8091 6.8091 7.0720 7.0720 7.2210 7.2210 7.3055 7.3055 7.4203 7.4203 7.6335 7.6335 7.7960 7.7960 8.1462 8.1462 8.1863 8.1863 9.0888 9.0888 9.1626 9.1626 9.6398 9.6398 9.7671 9.7671 11.1259 11.1259 11.2458 11.2458 13.6091 13.6091 13.6808 13.6808 14.4624 14.4624 14.5782 14.5782 15.9168 15.9168 15.9953 15.9953 k = 0.2812 0.2631-0.0144 ( 4170 PWs) bands (ev): 3.2327 3.2327 3.4293 3.4293 4.7605 4.7605 4.8214 4.8214 5.2393 5.2393 5.3171 5.3171 5.5513 5.5513 5.6768 5.6768 5.7443 5.7443 5.9544 5.9544 6.4747 6.4747 6.5676 6.5676 6.7265 6.7265 6.7762 6.7762 7.0791 7.0791 7.2174 7.2174 7.2947 7.2947 7.4151 7.4151 7.6224 7.6224 7.7756 7.7756 8.1352 8.1352 8.1839 8.1839 9.0645 9.0645 9.1272 9.1272 9.6021 9.6021 9.7352 9.7352 11.2499 11.2499 11.3704 11.3704 13.5963 13.5963 13.6650 13.6650 14.6142 14.6142 14.7344 14.7344 15.9984 15.9984 16.1093 16.1093 k = 0.2708 0.2631-0.0144 ( 4176 PWs) bands (ev): 3.1779 3.1779 3.3744 3.3744 4.7599 4.7599 4.8261 4.8261 5.2416 5.2416 5.3232 5.3232 5.5529 5.5529 5.6771 5.6771 5.7345 5.7345 5.9338 5.9338 6.4630 6.4630 6.5373 6.5373 6.6856 6.6856 6.7598 6.7598 7.0868 7.0868 7.2151 7.2151 7.2856 7.2856 7.4084 7.4084 7.6146 7.6146 7.7584 7.7584 8.1244 8.1244 8.1824 8.1824 9.0403 9.0403 9.0940 9.0940 9.5639 9.5639 9.7040 9.7040 11.3709 11.3709 11.4917 11.4917 13.5815 13.5815 13.6508 13.6508 14.7696 14.7696 14.8908 14.8908 16.0454 16.0454 16.2239 16.2239 k = 0.2604 0.2631-0.0144 ( 4176 PWs) bands (ev): 3.1235 3.1235 3.3195 3.3195 4.7597 4.7597 4.8307 4.8307 5.2434 5.2434 5.3280 5.3280 5.5542 5.5542 5.6737 5.6737 5.7275 5.7275 5.9146 5.9146 6.4452 6.4452 6.5105 6.5105 6.6395 6.6395 6.7511 6.7511 7.0951 7.0951 7.2138 7.2138 7.2783 7.2783 7.4007 7.4007 7.6099 7.6099 7.7441 7.7441 8.1141 8.1141 8.1814 8.1814 9.0157 9.0157 9.0635 9.0635 9.5259 9.5259 9.6735 9.6735 11.4869 11.4869 11.6074 11.6074 13.5705 13.5705 13.6425 13.6425 14.9232 14.9232 15.0406 15.0406 16.0633 16.0633 16.3351 16.3351 k = 0.2500 0.2631-0.0144 ( 4182 PWs) bands (ev): 3.0697 3.0697 3.2650 3.2650 4.7596 4.7596 4.8352 4.8352 5.2448 5.2448 5.3311 5.3311 5.5549 5.5549 5.6665 5.6665 5.7231 5.7231 5.8967 5.8967 6.4201 6.4201 6.4878 6.4878 6.5958 6.5958 6.7451 6.7451 7.1040 7.1040 7.2129 7.2129 7.2728 7.2728 7.3922 7.3922 7.6080 7.6080 7.7324 7.7324 8.1044 8.1044 8.1809 8.1809 8.9901 8.9901 9.0356 9.0356 9.4882 9.4882 9.6437 9.6437 11.5957 11.5957 11.7151 11.7151 13.5675 13.5675 13.6435 13.6435 15.0705 15.0705 15.1768 15.1768 16.0771 16.0771 16.4355 16.4355 k = 0.2396 0.2631-0.0144 ( 4190 PWs) bands (ev): 3.0168 3.0168 3.2109 3.2109 4.7596 4.7596 4.8395 4.8395 5.2455 5.2455 5.3325 5.3325 5.5552 5.5552 5.6564 5.6564 5.7204 5.7204 5.8802 5.8802 6.3903 6.3903 6.4642 6.4642 6.5599 6.5599 6.7403 6.7403 7.1137 7.1137 7.2121 7.2121 7.2690 7.2690 7.3839 7.3839 7.6087 7.6087 7.7227 7.7227 8.0955 8.0955 8.1808 8.1808 8.9633 8.9633 9.0101 9.0101 9.4512 9.4512 9.6146 9.6146 11.6947 11.6947 11.8123 11.8123 13.5760 13.5760 13.6569 13.6569 15.2057 15.2057 15.2923 15.2923 16.1071 16.1071 16.5194 16.5194 k = 0.2292 0.2631-0.0144 ( 4184 PWs) bands (ev): 2.9650 2.9650 3.1578 3.1578 4.7597 4.7597 4.8434 4.8434 5.2455 5.2455 5.3320 5.3320 5.5549 5.5549 5.6446 5.6446 5.7182 5.7182 5.8648 5.8648 6.3591 6.3591 6.4336 6.4336 6.5363 6.5363 6.7361 6.7361 7.1242 7.1242 7.2111 7.2111 7.2661 7.2661 7.3765 7.3765 7.6116 7.6116 7.7147 7.7147 8.0874 8.0874 8.1812 8.1812 8.9357 8.9357 8.9866 8.9866 9.4151 9.4151 9.5863 9.5863 11.7815 11.7815 11.8966 11.8966 13.5991 13.5991 13.6855 13.6855 15.3172 15.3172 15.3874 15.3874 16.1650 16.1650 16.5829 16.5829 k = 0.2188 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.9144 2.9144 3.1057 3.1057 4.7597 4.7597 4.8469 4.8469 5.2446 5.2446 5.3293 5.3293 5.5543 5.5543 5.6319 5.6319 5.7159 5.7159 5.8506 5.8506 6.3285 6.3285 6.3966 6.3966 6.5237 6.5237 6.7326 6.7326 7.1351 7.1351 7.2102 7.2102 7.2633 7.2633 7.3713 7.3713 7.6163 7.6163 7.7080 7.7080 8.0804 8.0804 8.1822 8.1822 8.9076 8.9076 8.9643 8.9643 9.3802 9.3802 9.5586 9.5586 11.8540 11.8540 11.9659 11.9659 13.6392 13.6392 13.7316 13.7316 15.3840 15.3840 15.4784 15.4784 16.2528 16.2528 16.6242 16.6242 k = 0.2083 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.8652 2.8652 3.0548 3.0548 4.7596 4.7596 4.8499 4.8499 5.2428 5.2428 5.3244 5.3244 5.5535 5.5535 5.6188 5.6188 5.7131 5.7131 5.8372 5.8372 6.2994 6.2994 6.3575 6.3575 6.5181 6.5181 6.7297 6.7297 7.1458 7.1458 7.2095 7.2095 7.2596 7.2596 7.3692 7.3692 7.6225 7.6225 7.7023 7.7023 8.0744 8.0744 8.1838 8.1838 8.8795 8.8795 8.9427 8.9427 9.3466 9.3466 9.5318 9.5318 11.9109 11.9109 12.0191 12.0191 13.6977 13.6977 13.7963 13.7963 15.4097 15.4097 15.5648 15.5648 16.3624 16.3624 16.6459 16.6459 k = 0.1979 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.8176 2.8176 3.0055 3.0055 4.7594 4.7594 4.8523 4.8523 5.2398 5.2398 5.3171 5.3171 5.5528 5.5528 5.6058 5.6058 5.7098 5.7098 5.8243 5.8243 6.2718 6.2718 6.3193 6.3193 6.5167 6.5167 6.7276 6.7276 7.1550 7.1550 7.2101 7.2101 7.2544 7.2544 7.3710 7.3710 7.6299 7.6299 7.6973 7.6973 8.0697 8.0697 8.1861 8.1861 8.8516 8.8516 8.9213 8.9213 9.3144 9.3144 9.5057 9.5057 11.9518 11.9518 12.0564 12.0564 13.7751 13.7751 13.8798 13.8798 15.4123 15.4123 15.6365 15.6365 16.4784 16.4784 16.6571 16.6571 k = 0.1875 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.7717 2.7717 2.9578 2.9578 4.7589 4.7589 4.8540 4.8540 5.2356 5.2356 5.3074 5.3074 5.5523 5.5523 5.5934 5.5934 5.7063 5.7063 5.8119 5.8119 6.2452 6.2452 6.2843 6.2843 6.5183 6.5183 6.7265 6.7265 7.1607 7.1607 7.2128 7.2128 7.2484 7.2484 7.3766 7.3766 7.6383 7.6383 7.6928 7.6928 8.0662 8.0662 8.1891 8.1891 8.8239 8.8239 8.8999 8.8999 9.2839 9.2839 9.4804 9.4804 11.9776 11.9776 12.0787 12.0787 13.8705 13.8705 13.9808 13.9808 15.4019 15.4019 15.6911 15.6911 16.5661 16.5661 16.6871 16.6871 k = 0.1771 0.2631-0.0144 ( 4196 PWs) bands (ev): 2.7276 2.7276 2.9119 2.9119 4.7583 4.7583 4.8551 4.8551 5.2299 5.2299 5.2955 5.2955 5.5521 5.5521 5.5817 5.5817 5.7026 5.7026 5.7998 5.7998 6.2186 6.2186 6.2539 6.2539 6.5223 6.5223 6.7264 6.7264 7.1615 7.1615 7.2150 7.2150 7.2456 7.2456 7.3855 7.3855 7.6475 7.6475 7.6887 7.6887 8.0640 8.0640 8.1930 8.1930 8.7967 8.7967 8.8784 8.8784 9.2550 9.2550 9.4560 9.4560 11.9900 11.9900 12.0880 12.0880 13.9823 13.9823 14.0975 14.0975 15.3845 15.3845 15.7300 15.7300 16.5842 16.5842 16.7709 16.7709 k = 0.1667 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.6855 2.6855 2.8680 2.8680 4.7574 4.7574 4.8554 4.8554 5.2226 5.2226 5.2818 5.2818 5.5524 5.5524 5.5713 5.5713 5.6989 5.6989 5.7879 5.7879 6.1913 6.1913 6.2289 6.2289 6.5287 6.5287 6.7276 6.7276 7.1578 7.1578 7.2108 7.2108 7.2516 7.2516 7.3969 7.3969 7.6573 7.6573 7.6852 7.6852 8.0633 8.0633 8.1977 8.1977 8.7699 8.7699 8.8566 8.8566 9.2280 9.2280 9.4325 9.4325 11.9913 11.9913 12.0865 12.0865 14.1081 14.1081 14.2275 14.2275 15.3634 15.3634 15.7557 15.7557 16.5723 16.5723 16.8624 16.8624 k = 0.1562 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.6454 2.6454 2.8262 2.8262 4.7563 4.7563 4.8549 4.8549 5.2138 5.2138 5.2667 5.2667 5.5524 5.5524 5.5627 5.5627 5.6953 5.6953 5.7764 5.7764 6.1638 6.1638 6.2084 6.2084 6.5372 6.5372 6.7301 6.7301 7.1507 7.1507 7.2011 7.2011 7.2646 7.2646 7.4099 7.4099 7.6674 7.6674 7.6825 7.6825 8.0638 8.0638 8.2033 8.2033 8.7436 8.7436 8.8345 8.8345 9.2027 9.2027 9.4100 9.4100 11.9836 11.9836 12.0766 12.0766 14.2456 14.2456 14.3683 14.3683 15.3407 15.3407 15.7712 15.7712 16.5528 16.5528 16.9347 16.9347 k = 0.1458 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.6075 2.6075 2.7866 2.7866 4.7549 4.7549 4.8538 4.8538 5.2032 5.2032 5.2510 5.2510 5.5497 5.5497 5.5585 5.5585 5.6921 5.6921 5.7655 5.7655 6.1374 6.1374 6.1911 6.1911 6.5478 6.5478 6.7339 6.7339 7.1409 7.1409 7.1895 7.1895 7.2803 7.2803 7.4237 7.4237 7.6750 7.6750 7.6833 7.6833 8.0656 8.0656 8.2097 8.2097 8.7179 8.7179 8.8122 8.8122 9.1792 9.1792 9.3884 9.3884 11.9691 11.9691 12.0604 12.0604 14.3924 14.3924 14.5175 14.5175 15.3176 15.3176 15.7791 15.7791 16.5308 16.5308 16.9834 16.9834 k = 0.1354 0.2631-0.0144 ( 4196 PWs) bands (ev): 2.5718 2.5718 2.7494 2.7494 4.7534 4.7534 4.8519 4.8519 5.1909 5.1909 5.2352 5.2352 5.5440 5.5440 5.5587 5.5587 5.6893 5.6893 5.7554 5.7554 6.1124 6.1124 6.1758 6.1758 6.5604 6.5604 6.7392 6.7392 7.1286 7.1286 7.1773 7.1773 7.2968 7.2968 7.4377 7.4377 7.6759 7.6759 7.6923 7.6923 8.0686 8.0686 8.2169 8.2169 8.6928 8.6928 8.7897 8.7897 9.1576 9.1576 9.3679 9.3679 11.9498 11.9498 12.0398 12.0398 14.5462 14.5462 14.6730 14.6730 15.2951 15.2951 15.7816 15.7816 16.5083 16.5083 17.0122 17.0122 k = 0.1250 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.5385 2.5385 2.7145 2.7145 4.7516 4.7516 4.8494 4.8494 5.1771 5.1771 5.2201 5.2201 5.5384 5.5384 5.5599 5.5599 5.6869 5.6869 5.7465 5.7465 6.0893 6.0893 6.1619 6.1619 6.5749 6.5749 6.7458 6.7458 7.1141 7.1141 7.1652 7.1652 7.3132 7.3132 7.4511 7.4511 7.6762 7.6762 7.7037 7.7037 8.0727 8.0727 8.2247 8.2247 8.6684 8.6684 8.7672 8.7672 9.1376 9.1376 9.3484 9.3484 11.9273 11.9273 12.0161 12.0161 14.7049 14.7049 14.8327 14.8327 15.2737 15.2737 15.7805 15.7805 16.4860 16.4860 17.0268 17.0268 k = 0.1146 0.2631-0.0144 ( 4196 PWs) bands (ev): 2.5076 2.5076 2.6822 2.6822 4.7497 4.7497 4.8463 4.8463 5.1620 5.1620 5.2060 5.2060 5.5336 5.5336 5.5611 5.5611 5.6851 5.6851 5.7390 5.7390 6.0678 6.0678 6.1492 6.1492 6.5912 6.5912 6.7536 6.7536 7.0978 7.0978 7.1532 7.1532 7.3290 7.3290 7.4632 7.4632 7.6779 7.6779 7.7156 7.7156 8.0776 8.0776 8.2332 8.2332 8.6448 8.6448 8.7448 8.7448 9.1194 9.1194 9.3301 9.3301 11.9028 11.9028 11.9908 11.9908 14.8663 14.8663 14.9944 14.9944 15.2546 15.2546 15.7773 15.7773 16.4647 16.4647 17.0322 17.0322 k = 0.1042 0.2631-0.0144 ( 4198 PWs) bands (ev): 2.4791 2.4791 2.6524 2.6524 4.7477 4.7477 4.8428 4.8428 5.1462 5.1462 5.1931 5.1931 5.5296 5.5296 5.5619 5.5619 5.6840 5.6840 5.7330 5.7330 6.0481 6.0481 6.1375 6.1375 6.6091 6.6091 6.7625 6.7625 7.0798 7.0798 7.1412 7.1412 7.3439 7.3439 7.4735 7.4735 7.6818 7.6818 7.7276 7.7276 8.0831 8.0831 8.2421 8.2421 8.6222 8.6222 8.7227 8.7227 9.1029 9.1029 9.3129 9.3129 11.8776 11.8776 11.9650 11.9650 15.0268 15.0268 15.1536 15.1536 15.2419 15.2419 15.7733 15.7733 16.4446 16.4446 17.0319 17.0319 k = 0.0938 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.4532 2.4532 2.6252 2.6252 4.7456 4.7456 4.8389 4.8389 5.1305 5.1305 5.1813 5.1813 5.5263 5.5263 5.5621 5.5621 5.6836 5.6836 5.7286 5.7286 6.0300 6.0300 6.1265 6.1265 6.6284 6.6284 6.7724 6.7724 7.0606 7.0606 7.1293 7.1293 7.3576 7.3576 7.4813 7.4813 7.6881 7.6881 7.7395 7.7395 8.0892 8.0892 8.2514 8.2514 8.6007 8.6007 8.7012 8.7012 9.0880 9.0880 9.2971 9.2971 11.8525 11.8525 11.9394 11.9394 15.1647 15.1647 15.2391 15.2391 15.3244 15.3244 15.7701 15.7701 16.4261 16.4261 17.0282 17.0282 k = 0.0833 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.4299 2.4299 2.6008 2.6008 4.7435 4.7435 4.8349 4.8349 5.1153 5.1153 5.1707 5.1707 5.5237 5.5237 5.5616 5.5616 5.6841 5.6841 5.7257 5.7257 6.0135 6.0135 6.1164 6.1164 6.6490 6.6490 6.7831 6.7831 7.0402 7.0402 7.1174 7.1174 7.3700 7.3700 7.4866 7.4866 7.6968 7.6968 7.7509 7.7509 8.0954 8.0954 8.2607 8.2607 8.5805 8.5805 8.6804 8.6804 9.0747 9.0747 9.2826 9.2826 11.8283 11.8283 11.9148 11.9148 15.1853 15.1853 15.3643 15.3643 15.4772 15.4772 15.7703 15.7703 16.4093 16.4093 17.0227 17.0227 k = 0.0729 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.4092 2.4092 2.5791 2.5791 4.7415 4.7415 4.8307 4.8307 5.1011 5.1011 5.1613 5.1613 5.5215 5.5215 5.5604 5.5604 5.6854 5.6854 5.7240 5.7240 5.9986 5.9986 6.1071 6.1071 6.6707 6.6707 6.7942 6.7942 7.0190 7.0190 7.1056 7.1056 7.3812 7.3812 7.4895 7.4895 7.7075 7.7075 7.7615 7.7615 8.1017 8.1017 8.2701 8.2701 8.5617 8.5617 8.6606 8.6606 9.0629 9.0629 9.2695 9.2695 11.8057 11.8057 11.8919 11.8919 15.1754 15.1754 15.5103 15.5103 15.6197 15.6197 15.7826 15.7826 16.3943 16.3943 17.0163 17.0163 k = 0.0625 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.3912 2.3912 2.5603 2.5603 4.7396 4.7396 4.8267 4.8267 5.0883 5.0883 5.1531 5.1531 5.5198 5.5198 5.5586 5.5586 5.6874 5.6874 5.7233 5.7233 5.9853 5.9853 6.0986 6.0986 6.6931 6.6931 6.8055 6.8055 6.9970 6.9970 7.0940 7.0940 7.3910 7.3910 7.4904 7.4904 7.7197 7.7197 7.7710 7.7710 8.1077 8.1077 8.2791 8.2791 8.5447 8.5447 8.6422 8.6422 9.0527 9.0527 9.2579 9.2579 11.7851 11.7851 11.8711 11.8711 15.1643 15.1643 15.6300 15.6300 15.7335 15.7335 15.8377 15.8377 16.3815 16.3815 17.0096 17.0096 k = 0.0521 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.3759 2.3759 2.5442 2.5442 4.7378 4.7378 4.8230 4.8230 5.0771 5.0771 5.1460 5.1460 5.5185 5.5185 5.5566 5.5566 5.6900 5.6900 5.7231 5.7231 5.9737 5.9737 6.0912 6.0912 6.7162 6.7162 6.8166 6.8166 6.9746 6.9746 7.0829 7.0829 7.3995 7.3995 7.4898 7.4898 7.7324 7.7324 7.7791 7.7791 8.1132 8.1132 8.2875 8.2875 8.5297 8.5297 8.6254 8.6254 9.0440 9.0440 9.2480 9.2480 11.7669 11.7669 11.8528 11.8528 15.1543 15.1543 15.6820 15.6820 15.8426 15.8426 15.9446 15.9446 16.3708 16.3708 17.0031 17.0031 k = 0.0417 0.2631-0.0144 ( 4188 PWs) bands (ev): 2.3633 2.3633 2.5311 2.5311 4.7362 4.7362 4.8198 4.8198 5.0678 5.0678 5.1402 5.1402 5.5176 5.5176 5.5545 5.5545 5.6929 5.6929 5.7233 5.7233 5.9640 5.9640 6.0849 6.0849 6.7396 6.7396 6.8270 6.8270 6.9518 6.9518 7.0727 7.0727 7.4067 7.4067 7.4882 7.4882 7.7450 7.7450 7.7853 7.7853 8.1181 8.1181 8.2951 8.2951 8.5170 8.5170 8.6108 8.6108 9.0369 9.0369 9.2397 9.2397 11.7516 11.7516 11.8373 11.8373 15.1459 15.1459 15.6943 15.6943 15.9586 15.9586 16.0551 16.0551 16.3627 16.3627 16.9972 16.9972 k = 0.0312 0.2631-0.0144 ( 4184 PWs) bands (ev): 2.3535 2.3535 2.5208 2.5208 4.7350 4.7350 4.8171 4.8171 5.0604 5.0604 5.1357 5.1357 5.5169 5.5169 5.5525 5.5525 5.6957 5.6957 5.7234 5.7234 5.9562 5.9562 6.0798 6.0798 6.7627 6.7627 6.8361 6.8361 6.9292 6.9292 7.0638 7.0638 7.4126 7.4126 7.4863 7.4863 7.7566 7.7566 7.7894 7.7894 8.1221 8.1221 8.3016 8.3016 8.5068 8.5068 8.5988 8.5988 9.0313 9.0313 9.2331 9.2331 11.7394 11.7394 11.8251 11.8251 15.1393 15.1393 15.6969 15.6969 16.0619 16.0619 16.1489 16.1489 16.3578 16.3578 16.9920 16.9920 k = 0.0208 0.2631-0.0144 ( 4180 PWs) bands (ev): 2.3465 2.3465 2.5135 2.5135 4.7340 4.7340 4.8150 4.8150 5.0551 5.0551 5.1325 5.1325 5.5164 5.5164 5.5510 5.5510 5.6982 5.6982 5.7236 5.7236 5.9505 5.9505 6.0761 6.0761 6.7848 6.7848 6.8433 6.8433 6.9076 6.9076 7.0568 7.0568 7.4170 7.4170 7.4844 7.4844 7.7665 7.7665 7.7914 7.7914 8.1251 8.1251 8.3065 8.3065 8.4993 8.4993 8.5898 8.5898 9.0273 9.0273 9.2284 9.2284 11.7306 11.7306 11.8162 11.8162 15.1345 15.1345 15.6971 15.6971 16.1435 16.1435 16.2167 16.2167 16.3575 16.3575 16.9879 16.9879 k = 0.0104 0.2631-0.0144 ( 4178 PWs) bands (ev): 2.3423 2.3423 2.5091 2.5091 4.7335 4.7335 4.8138 4.8138 5.0519 5.0519 5.1305 5.1305 5.5162 5.5162 5.5500 5.5500 5.6998 5.6998 5.7236 5.7236 5.9471 5.9471 6.0739 6.0739 6.8033 6.8033 6.8479 6.8479 6.8893 6.8893 7.0523 7.0523 7.4198 7.4198 7.4830 7.4830 7.7738 7.7738 7.7915 7.7915 8.1270 8.1270 8.3096 8.3096 8.4948 8.4948 8.5842 8.5842 9.0249 9.0249 9.2256 9.2256 11.7252 11.7252 11.8108 11.8108 15.1316 15.1316 15.6968 15.6968 16.1974 16.1974 16.2530 16.2530 16.3619 16.3619 16.9853 16.9853 k = 0.0000 0.2631-0.0144 ( 4174 PWs) bands (ev): 2.3409 2.3409 2.5076 2.5076 4.7333 4.7333 4.8134 4.8134 5.0508 5.0508 5.1299 5.1299 5.5161 5.5161 5.5497 5.5497 5.7004 5.7004 5.7236 5.7236 5.9459 5.9459 6.0731 6.0731 6.8117 6.8117 6.8494 6.8494 6.8811 6.8811 7.0508 7.0508 7.4207 7.4207 7.4825 7.4825 7.7767 7.7767 7.7911 7.7911 8.1276 8.1276 8.3106 8.3106 8.4932 8.4932 8.5823 8.5823 9.0241 9.0241 9.2246 9.2246 11.7234 11.7234 11.8090 11.8090 15.1307 15.1307 15.6966 15.6966 16.2171 16.2171 16.2624 16.2624 16.3653 16.3653 16.9844 16.9844 k = 0.0000 0.2631-0.0144 ( 4174 PWs) bands (ev): 2.3409 2.3409 2.5076 2.5076 4.7333 4.7333 4.8134 4.8134 5.0508 5.0508 5.1299 5.1299 5.5161 5.5161 5.5497 5.5497 5.7004 5.7004 5.7236 5.7236 5.9459 5.9459 6.0731 6.0731 6.8117 6.8117 6.8494 6.8494 6.8811 6.8811 7.0508 7.0508 7.4207 7.4207 7.4825 7.4825 7.7767 7.7767 7.7911 7.7911 8.1276 8.1276 8.3106 8.3106 8.4932 8.4932 8.5823 8.5823 9.0241 9.0241 9.2246 9.2246 11.7234 11.7234 11.8090 11.8090 15.1307 15.1307 15.6966 15.6966 16.2171 16.2171 16.2624 16.2624 16.3653 16.3653 16.9844 16.9844 k = 0.0000 0.2637-0.0042 ( 4176 PWs) bands (ev): 2.3424 2.3424 2.5091 2.5091 4.7241 4.7241 4.8107 4.8107 5.0531 5.0531 5.1330 5.1330 5.5132 5.5132 5.5529 5.5529 5.6993 5.6993 5.7252 5.7252 5.9460 5.9460 6.0733 6.0733 6.8013 6.8013 6.8571 6.8571 6.8817 6.8817 7.0512 7.0512 7.4204 7.4204 7.4825 7.4825 7.7748 7.7748 7.7912 7.7912 8.1268 8.1268 8.3099 8.3099 8.4682 8.4682 8.6107 8.6107 9.0007 9.0007 9.2605 9.2605 11.7198 11.7198 11.8112 11.8112 15.1201 15.1201 15.7053 15.7053 16.2177 16.2177 16.2605 16.2605 16.3615 16.3615 16.9990 16.9990 k = 0.0000 0.2642 0.0061 ( 4178 PWs) bands (ev): 2.3469 2.3469 2.5136 2.5136 4.6993 4.6993 4.8010 4.8010 5.0599 5.0599 5.1416 5.1416 5.5067 5.5067 5.5605 5.5605 5.6968 5.6968 5.7293 5.7293 5.9461 5.9461 6.0738 6.0738 6.7811 6.7811 6.8657 6.8657 6.8871 6.8871 7.0525 7.0525 7.4194 7.4194 7.4825 7.4825 7.7697 7.7697 7.7906 7.7906 8.1243 8.1243 8.3076 8.3076 8.4278 8.4278 8.6566 8.6566 8.9634 8.9634 9.3400 9.3400 11.7099 11.7099 11.8169 11.8169 15.0911 15.0911 15.7278 15.7278 16.2169 16.2169 16.2561 16.2561 16.3559 16.3559 17.0396 17.0396 k = 0.0000 0.2648 0.0163 ( 4183 PWs) bands (ev): 2.3545 2.3545 2.5212 2.5212 4.6633 4.6633 4.7827 4.7827 5.0706 5.0706 5.1538 5.1538 5.4989 5.4989 5.5697 5.5697 5.6942 5.6942 5.7345 5.7345 5.9463 5.9463 6.0747 6.0747 6.7582 6.7582 6.8654 6.8654 6.9007 6.9007 7.0547 7.0547 7.4177 7.4177 7.4825 7.4825 7.7625 7.7625 7.7887 7.7887 8.1204 8.1204 8.3030 8.3030 8.3916 8.3916 8.6839 8.6839 8.9533 8.9533 9.4379 9.4379 11.6954 11.6954 11.8244 11.8244 15.0489 15.0489 15.7544 15.7544 16.2078 16.2078 16.2572 16.2572 16.3579 16.3579 17.0973 17.0973 k = 0.0000 0.2654 0.0266 ( 4187 PWs) bands (ev): 2.3650 2.3650 2.5318 2.5318 4.6192 4.6192 4.7560 4.7560 5.0835 5.0835 5.1678 5.1678 5.4909 5.4909 5.5791 5.5791 5.6923 5.6923 5.7401 5.7401 5.9465 5.9465 6.0758 6.0758 6.7347 6.7347 6.8610 6.8610 6.9168 6.9168 7.0578 7.0578 7.4154 7.4154 7.4824 7.4824 7.7538 7.7538 7.7848 7.7848 8.1153 8.1153 8.2950 8.2950 8.3639 8.3639 8.6743 8.6743 8.9921 8.9921 9.5464 9.5464 11.6779 11.6779 11.8324 11.8324 14.9990 14.9990 15.7724 15.7724 16.1952 16.1952 16.2683 16.2683 16.3712 16.3712 17.1598 17.1598 k = 0.0000 0.2659 0.0368 ( 4193 PWs) bands (ev): 2.3785 2.3785 2.5453 2.5453 4.5692 4.5692 4.7225 4.7225 5.0972 5.0972 5.1825 5.1825 5.4830 5.4830 5.5877 5.5877 5.6915 5.6915 5.7456 5.7456 5.9465 5.9465 6.0770 6.0770 6.7116 6.7116 6.8551 6.8551 6.9328 6.9328 7.0618 7.0618 7.4127 7.4127 7.4822 7.4822 7.7441 7.7441 7.7790 7.7790 8.1094 8.1094 8.2831 8.2831 8.3455 8.3455 8.6395 8.6395 9.0686 9.0686 9.6627 9.6627 11.6582 11.6582 11.8404 11.8404 14.9453 14.9453 15.7702 15.7702 16.1938 16.1938 16.2856 16.2856 16.3956 16.3956 17.1898 17.1898 k = 0.0000 0.2665 0.0471 ( 4187 PWs) bands (ev): 2.3950 2.3950 2.5619 2.5619 4.5143 4.5143 4.6835 4.6835 5.1102 5.1102 5.1971 5.1971 5.4753 5.4753 5.5950 5.5950 5.6922 5.6922 5.7508 5.7508 5.9462 5.9462 6.0782 6.0782 6.6898 6.6898 6.8486 6.8486 6.9485 6.9485 7.0667 7.0667 7.4095 7.4095 7.4817 7.4817 7.7337 7.7337 7.7714 7.7714 8.1031 8.1031 8.2686 8.2686 8.3342 8.3342 8.5964 8.5964 9.1656 9.1656 9.7853 9.7853 11.6368 11.6368 11.8480 11.8480 14.8906 14.8906 15.7435 15.7435 16.2085 16.2085 16.3059 16.3059 16.4315 16.4315 17.0910 17.0910 k = 0.0000 0.2671 0.0573 ( 4192 PWs) bands (ev): 2.4144 2.4144 2.5813 2.5813 4.4555 4.4555 4.6400 4.6400 5.1217 5.1217 5.2113 5.2113 5.4679 5.4679 5.6006 5.6006 5.6944 5.6944 5.7554 5.7554 5.9454 5.9454 6.0791 6.0791 6.6701 6.6701 6.8423 6.8423 6.9638 6.9638 7.0725 7.0725 7.4059 7.4059 7.4809 7.4809 7.7229 7.7229 7.7622 7.7622 8.0970 8.0970 8.2540 8.2540 8.3268 8.3268 8.5527 8.5527 9.2748 9.2748 9.9133 9.9133 11.6144 11.6144 11.8552 11.8552 14.8364 14.8364 15.6970 15.6970 16.2339 16.2339 16.3239 16.3239 16.4788 16.4788 16.9318 16.9318 k = 0.0000 0.2676 0.0676 ( 4195 PWs) bands (ev): 2.4367 2.4367 2.6037 2.6037 4.3933 4.3933 4.5930 4.5930 5.1313 5.1313 5.2247 5.2247 5.4608 5.4608 5.6045 5.6045 5.6977 5.6977 5.7591 5.7591 5.9441 5.9441 6.0797 6.0797 6.6532 6.6532 6.8366 6.8366 6.9789 6.9789 7.0793 7.0793 7.4021 7.4021 7.4797 7.4797 7.7118 7.7118 7.7518 7.7518 8.0913 8.0913 8.2403 8.2403 8.3210 8.3210 8.5112 8.5112 9.3924 9.3924 10.0457 10.0457 11.5912 11.5912 11.8622 11.8622 14.7839 14.7839 15.6377 15.6377 16.2617 16.2617 16.3289 16.3289 16.5329 16.5329 16.7807 16.7807 k = 0.0000 0.2682 0.0778 ( 4201 PWs) bands (ev): 2.4620 2.4620 2.6290 2.6290 4.3282 4.3282 4.5428 4.5428 5.1388 5.1388 5.2373 5.2373 5.4539 5.4539 5.6069 5.6069 5.7018 5.7018 5.7618 5.7618 5.9422 5.9422 6.0796 6.0796 6.6398 6.6398 6.8320 6.8320 6.9940 6.9940 7.0870 7.0870 7.3981 7.3981 7.4781 7.4781 7.7005 7.7005 7.7404 7.7404 8.0862 8.0862 8.2278 8.2278 8.3158 8.3158 8.4729 8.4729 9.5163 9.5163 10.1817 10.1817 11.5679 11.5679 11.8690 11.8690 14.7340 14.7340 15.5709 15.5709 16.2759 16.2759 16.3021 16.3021 16.5706 16.5706 16.6928 16.6928 k = 0.0000 0.2687 0.0881 ( 4199 PWs) bands (ev): 2.4901 2.4901 2.6572 2.6572 4.2607 4.2607 4.4901 4.4901 5.1444 5.1444 5.2489 5.2489 5.4475 5.4475 5.6082 5.6082 5.7061 5.7061 5.7632 5.7632 5.9396 5.9396 6.0788 6.0788 6.6303 6.6303 6.8290 6.8290 7.0091 7.0091 7.0957 7.0957 7.3939 7.3939 7.4760 7.4760 7.6890 7.6890 7.7286 7.7286 8.0820 8.0820 8.2163 8.2163 8.3102 8.3102 8.4386 8.4386 9.6453 9.6453 10.3202 10.3202 11.5452 11.5452 11.8761 11.8761 14.6870 14.6870 15.4995 15.4995 16.1766 16.1766 16.3064 16.3064 16.5728 16.5728 16.7060 16.7060 k = 0.0000 0.2693 0.0983 ( 4197 PWs) bands (ev): 2.5210 2.5210 2.6881 2.6881 4.1912 4.1912 4.4351 4.4351 5.1480 5.1480 5.2593 5.2593 5.4415 5.4415 5.6087 5.6087 5.7102 5.7102 5.7633 5.7633 5.9364 5.9364 6.0773 6.0773 6.6247 6.6247 6.8277 6.8277 7.0244 7.0244 7.1054 7.1054 7.3896 7.3896 7.4734 7.4734 7.6773 7.6773 7.7167 7.7167 8.0786 8.0786 8.2057 8.2057 8.3037 8.3037 8.4084 8.4084 9.7781 9.7781 10.4600 10.4600 11.5238 11.5238 11.8840 11.8840 14.6434 14.6434 15.4248 15.4248 16.0177 16.0177 16.2979 16.2979 16.5891 16.5891 16.7123 16.7123 k = 0.0000 0.2699 0.1086 ( 4206 PWs) bands (ev): 2.5547 2.5547 2.7218 2.7218 4.1199 4.1199 4.3780 4.3780 5.1501 5.1501 5.2684 5.2684 5.4361 5.4361 5.6088 5.6088 5.7139 5.7139 5.7619 5.7619 5.9327 5.9327 6.0750 6.0750 6.6229 6.6229 6.8282 6.8282 7.0401 7.0401 7.1160 7.1160 7.3853 7.3853 7.4703 7.4703 7.6651 7.6651 7.7051 7.7051 8.0759 8.0759 8.1956 8.1956 8.2955 8.2955 8.3830 8.3830 9.9137 9.9137 10.5991 10.5991 11.5051 11.5051 11.8932 11.8932 14.6034 14.6034 15.3466 15.3466 15.8404 15.8404 16.2456 16.2456 16.6179 16.6179 16.6865 16.6865 k = 0.0000 0.2704 0.1188 ( 4205 PWs) bands (ev): 2.5911 2.5911 2.7582 2.7582 4.0472 4.0472 4.3193 4.3193 5.1507 5.1507 5.2761 5.2761 5.4315 5.4315 5.6086 5.6086 5.7168 5.7168 5.7592 5.7592 5.9286 5.9286 6.0721 6.0721 6.6246 6.6246 6.8306 6.8306 7.0562 7.0562 7.1276 7.1276 7.3811 7.3811 7.4665 7.4665 7.6523 7.6523 7.6942 7.6942 8.0740 8.0740 8.1859 8.1859 8.2847 8.2847 8.3628 8.3628 10.0510 10.0510 10.7348 10.7348 11.4910 11.4910 11.9049 11.9049 14.5670 14.5670 15.2639 15.2639 15.6588 15.6588 16.1421 16.1421 16.6452 16.6452 16.6941 16.6941 k = 0.0000 0.2710 0.1291 ( 4201 PWs) bands (ev): 2.6302 2.6302 2.7972 2.7972 3.9736 3.9736 4.2590 4.2590 5.1503 5.1503 5.2823 5.2823 5.4276 5.4276 5.6084 5.6084 5.7190 5.7190 5.7551 5.7551 5.9243 5.9243 6.0687 6.0687 6.6291 6.6291 6.8347 6.8347 7.0728 7.0728 7.1399 7.1399 7.3770 7.3770 7.4621 7.4621 7.6388 7.6388 7.6843 7.6843 8.0728 8.0728 8.1766 8.1766 8.2711 8.2711 8.3480 8.3480 10.1887 10.1887 10.8626 10.8626 11.4848 11.4848 11.9207 11.9207 14.5343 14.5343 15.1742 15.1742 15.4797 15.4797 16.0076 16.0076 16.6749 16.6749 16.7349 16.7349 k = 0.0000 0.2715 0.1393 ( 4193 PWs) bands (ev): 2.6719 2.6719 2.8387 2.8387 3.8992 3.8992 4.1976 4.1976 5.1489 5.1489 5.2869 5.2869 5.4248 5.4248 5.6082 5.6082 5.7204 5.7204 5.7501 5.7501 5.9199 5.9199 6.0652 6.0652 6.6359 6.6359 6.8401 6.8401 7.0899 7.0899 7.1530 7.1530 7.3731 7.3731 7.4570 7.4570 7.6247 7.6247 7.6754 7.6754 8.0723 8.0723 8.1675 8.1675 8.2553 8.2553 8.3376 8.3376 10.3254 10.3254 10.9755 10.9755 11.4912 11.4912 11.9432 11.9432 14.5054 14.5054 15.0733 15.0733 15.3079 15.3079 15.8634 15.8634 16.7154 16.7154 16.7875 16.7875 k = 0.0000 0.2721 0.1496 ( 4197 PWs) bands (ev): 2.7162 2.7162 2.8826 2.8826 3.8245 3.8245 4.1351 4.1351 5.1469 5.1469 5.2899 5.2899 5.4230 5.4230 5.6080 5.6080 5.7210 5.7210 5.7444 5.7444 5.9155 5.9155 6.0617 6.0617 6.6442 6.6442 6.8468 6.8468 7.1074 7.1074 7.1665 7.1665 7.3696 7.3696 7.4514 7.4514 7.6100 7.6100 7.6677 7.6677 8.0723 8.0723 8.1588 8.1588 8.2385 8.2385 8.3303 8.3303 10.4591 10.4591 11.0649 11.0649 11.5153 11.5153 11.9764 11.9764 14.4799 14.4799 14.9570 14.9570 15.1467 15.1467 15.7231 15.7231 16.7644 16.7644 16.8461 16.8461 k = 0.0000 0.2727 0.1598 ( 4202 PWs) bands (ev): 2.7629 2.7629 2.9288 2.9288 3.7498 3.7498 4.0719 4.0719 5.1445 5.1445 5.2916 5.2916 5.4221 5.4221 5.6079 5.6079 5.7206 5.7206 5.7385 5.7385 5.9114 5.9114 6.0583 6.0583 6.6534 6.6534 6.8542 6.8542 7.1253 7.1253 7.1805 7.1805 7.3665 7.3665 7.4453 7.4453 7.5949 7.5949 7.6609 7.6609 8.0730 8.0730 8.1503 8.1503 8.2217 8.2217 8.3251 8.3251 10.5873 10.5873 11.1259 11.1259 11.5572 11.5572 12.0263 12.0263 14.4574 14.4574 14.8252 14.8252 14.9955 14.9955 15.5950 15.5950 16.8195 16.8195 16.9090 16.9090 k = 0.0000 0.2732 0.1701 ( 4212 PWs) bands (ev): 2.8120 2.8120 2.9770 2.9770 3.6755 3.6755 4.0082 4.0082 5.1420 5.1420 5.2919 5.2919 5.4221 5.4221 5.6079 5.6079 5.7189 5.7189 5.7334 5.7334 5.9075 5.9075 6.0551 6.0551 6.6628 6.6628 6.8620 6.8620 7.1432 7.1432 7.1946 7.1946 7.3639 7.3639 7.4388 7.4388 7.5795 7.5795 7.6551 7.6551 8.0742 8.0742 8.1424 8.1424 8.2054 8.2054 8.3210 8.3210 10.7062 10.7062 11.1640 11.1640 11.6066 11.6066 12.0994 12.0994 14.4366 14.4366 14.6858 14.6858 14.8481 14.8481 15.4842 15.4842 16.8794 16.8794 16.9755 16.9755 k = 0.0000 0.2738 0.1803 ( 4209 PWs) bands (ev): 2.8633 2.8633 3.0270 3.0270 3.6021 3.6021 3.9442 3.9442 5.1394 5.1394 5.2913 5.2913 5.4226 5.4226 5.6080 5.6080 5.7153 5.7153 5.7297 5.7297 5.9040 5.9040 6.0523 6.0523 6.6720 6.6720 6.8699 6.8699 7.1608 7.1608 7.2087 7.2087 7.3618 7.3618 7.4321 7.4321 7.5640 7.5640 7.6502 7.6502 8.0760 8.0760 8.1350 8.1350 8.1901 8.1901 8.3179 8.3179 10.8100 10.8100 11.1922 11.1922 11.6508 11.6508 12.1988 12.1988 14.4126 14.4126 14.5508 14.5508 14.7002 14.7002 15.3917 15.3917 16.9430 16.9430 17.0453 17.0453 k = 0.0000 0.2744 0.1906 ( 4209 PWs) bands (ev): 2.9167 2.9167 3.0781 3.0781 3.5304 3.5304 3.8803 3.8803 5.1370 5.1370 5.2901 5.2901 5.4236 5.4236 5.6081 5.6081 5.7104 5.7104 5.7275 5.7275 5.9009 5.9009 6.0499 6.0499 6.6805 6.6805 6.8775 6.8775 7.1774 7.1774 7.2228 7.2228 7.3600 7.3600 7.4258 7.4258 7.5487 7.5487 7.6462 7.6462 8.0784 8.0784 8.1284 8.1284 8.1759 8.1759 8.3154 8.3154 10.8909 10.8909 11.2239 11.2239 11.6835 11.6835 12.3217 12.3217 14.3610 14.3610 14.4419 14.4419 14.5608 14.5608 15.3161 15.3161 17.0096 17.0096 17.1178 17.1178 k = 0.0000 0.2749 0.2008 ( 4215 PWs) bands (ev): 2.9720 2.9720 3.1290 3.1290 3.4617 3.4617 3.8167 3.8167 5.1349 5.1349 5.2884 5.2884 5.4247 5.4247 5.6083 5.6083 5.7052 5.7052 5.7262 5.7262 5.8982 5.8982 6.0478 6.0478 6.6881 6.6881 6.8845 6.8845 7.1922 7.1922 7.2369 7.2369 7.3581 7.3581 7.4205 7.4205 7.5337 7.5337 7.6430 7.6430 8.0813 8.0813 8.1228 8.1228 8.1629 8.1629 8.3133 8.3133 10.9432 10.9432 11.2668 11.2668 11.7053 11.7053 12.4614 12.4614 14.2552 14.2552 14.3473 14.3473 14.4760 14.4760 15.2547 15.2547 17.0786 17.0786 17.1926 17.1926 k = 0.0000 0.2755 0.2111 ( 4212 PWs) bands (ev): 3.0288 3.0288 3.1759 3.1759 3.4003 3.4003 3.7537 3.7537 5.1334 5.1334 5.2865 5.2865 5.4257 5.4257 5.6084 5.6084 5.7003 5.7003 5.7252 5.7252 5.8960 5.8960 6.0462 6.0462 6.6944 6.6944 6.8905 6.8905 7.2045 7.2045 7.2510 7.2510 7.3553 7.3553 7.4172 7.4172 7.5194 7.5194 7.6408 7.6408 8.0846 8.0846 8.1184 8.1184 8.1512 8.1512 8.3117 8.3117 10.9692 10.9692 11.3175 11.3175 11.7188 11.7188 12.6108 12.6108 14.1255 14.1255 14.2376 14.2376 14.4537 14.4537 15.2049 15.2049 17.1492 17.1492 17.2686 17.2686 k = 0.0000 0.2760 0.2213 ( 4204 PWs) bands (ev): 3.0862 3.0862 3.2053 3.2053 3.3601 3.3601 3.6919 3.6919 5.1324 5.1324 5.2847 5.2847 5.4264 5.4264 5.6084 5.6084 5.6962 5.6962 5.7244 5.7244 5.8944 5.8944 6.0449 6.0449 6.6994 6.6994 6.8954 6.8954 7.2137 7.2137 7.2645 7.2645 7.3512 7.3512 7.4164 7.4164 7.5063 7.5063 7.6394 7.6394 8.0884 8.0884 8.1156 8.1156 8.1406 8.1406 8.3104 8.3104 10.9778 10.9778 11.3643 11.3643 11.7269 11.7269 12.7626 12.7626 13.9804 13.9804 14.1570 14.1570 14.4507 14.4507 15.1647 15.1647 17.2198 17.2198 17.3429 17.3429 k = 0.0000 0.2766 0.2316 ( 4200 PWs) bands (ev): 3.1380 3.1380 3.1962 3.1962 3.3678 3.3678 3.6320 3.6320 5.1320 5.1320 5.2831 5.2831 5.4267 5.4267 5.6083 5.6083 5.6933 5.6933 5.7239 5.7239 5.8932 5.8932 6.0440 6.0440 6.7030 6.7030 6.8988 6.8988 7.2198 7.2198 7.2757 7.2757 7.3467 7.3467 7.4181 7.4181 7.4953 7.4953 7.6391 7.6391 8.0923 8.0923 8.1146 8.1146 8.1313 8.1313 8.3095 8.3095 10.9765 10.9765 11.3953 11.3953 11.7328 11.7328 12.9072 12.9072 13.8375 13.8375 14.1117 14.1117 14.4559 14.4559 15.1327 15.1327 17.2848 17.2848 17.3919 17.3919 k = 0.5000 0.2496 0.2604 ( 4120 PWs) bands (ev): 4.4525 4.4525 4.4556 4.4556 4.6518 4.6518 4.6538 4.6538 5.1809 5.1809 5.1970 5.1970 5.4546 5.4546 5.4761 5.4761 6.0253 6.0253 6.0273 6.0273 6.3901 6.3901 6.4102 6.4102 7.1600 7.1600 7.1640 7.1640 7.4132 7.4132 7.4257 7.4257 7.7364 7.7364 7.7401 7.7401 7.8297 7.8297 7.8485 7.8485 8.6177 8.6177 8.7075 8.7075 8.8702 8.8702 8.9632 8.9632 9.3580 9.3580 9.3762 9.3762 9.5636 9.5636 9.5842 9.5842 14.9172 14.9172 14.9613 14.9613 15.4625 15.4625 15.5121 15.5121 15.6746 15.6746 15.6808 15.6808 k = 0.5000 0.2392 0.2604 ( 4116 PWs) bands (ev): 4.4558 4.4558 4.4589 4.4589 4.6530 4.6530 4.6541 4.6541 5.1805 5.1805 5.2010 5.2010 5.4513 5.4513 5.4804 5.4804 6.0238 6.0238 6.0276 6.0276 6.3779 6.3779 6.4069 6.4069 7.1549 7.1549 7.1695 7.1695 7.4039 7.4039 7.4088 7.4088 7.7313 7.7313 7.7324 7.7324 7.8239 7.8239 7.8478 7.8478 8.6274 8.6274 8.7088 8.7088 8.8814 8.8814 8.9692 8.9692 9.3644 9.3644 9.3808 9.3808 9.5808 9.5808 9.6072 9.6072 14.9102 14.9102 14.9468 14.9468 15.4342 15.4342 15.4498 15.4498 15.6154 15.6154 15.6501 15.6501 k = 0.5000 0.2288 0.2604 ( 4128 PWs) bands (ev): 4.4605 4.4605 4.4635 4.4635 4.6553 4.6553 4.6554 4.6554 5.1808 5.1808 5.2057 5.2057 5.4482 5.4482 5.4850 5.4850 6.0194 6.0194 6.0287 6.0287 6.3630 6.3630 6.4008 6.4008 7.1485 7.1485 7.1748 7.1748 7.3866 7.3866 7.3870 7.3870 7.7205 7.7205 7.7229 7.7229 7.8167 7.8167 7.8442 7.8442 8.6452 8.6452 8.7161 8.7161 8.8966 8.8966 8.9767 8.9767 9.3744 9.3744 9.3881 9.3881 9.6076 9.6076 9.6390 9.6390 14.8951 14.8951 14.9218 14.9218 15.3728 15.3728 15.3837 15.3837 15.5456 15.5456 15.5932 15.5932 k = 0.5000 0.2184 0.2604 ( 4120 PWs) bands (ev): 4.4666 4.4666 4.4696 4.4696 4.6576 4.6576 4.6585 4.6585 5.1817 5.1817 5.2112 5.2112 5.4452 5.4452 5.4898 5.4898 6.0141 6.0141 6.0286 6.0286 6.3457 6.3457 6.3919 6.3919 7.1395 7.1395 7.1793 7.1793 7.3623 7.3623 7.3626 7.3626 7.7081 7.7081 7.7083 7.7083 7.8089 7.8089 7.8374 7.8374 8.6697 8.6697 8.7289 8.7289 8.9147 8.9147 8.9853 8.9853 9.3884 9.3884 9.3984 9.3984 9.6435 9.6435 9.6791 9.6791 14.8710 14.8710 14.8859 14.8859 15.2833 15.2833 15.3058 15.3058 15.4811 15.4811 15.5222 15.5222 k = 0.5000 0.2080 0.2604 ( 4124 PWs) bands (ev): 4.4741 4.4741 4.4769 4.4769 4.6607 4.6607 4.6626 4.6626 5.1834 5.1834 5.2175 5.2175 5.4424 5.4424 5.4948 5.4948 6.0080 6.0080 6.0273 6.0273 6.3263 6.3263 6.3806 6.3806 7.1266 7.1266 7.1820 7.1820 7.3327 7.3327 7.3381 7.3381 7.6886 7.6886 7.6953 7.6953 7.8010 7.8010 7.8279 7.8279 8.6989 8.6989 8.7461 8.7461 8.9348 8.9348 8.9945 8.9945 9.4067 9.4067 9.4125 9.4125 9.6880 9.6880 9.7271 9.7271 14.8372 14.8372 14.8393 14.8393 15.1824 15.1824 15.2033 15.2033 15.4268 15.4268 15.4469 15.4469 k = 0.5000 0.1976 0.2604 ( 4130 PWs) bands (ev): 4.4827 4.4827 4.4855 4.4855 4.6648 4.6648 4.6676 4.6676 5.1857 5.1857 5.2244 5.2244 5.4397 5.4397 5.4998 5.4998 6.0013 6.0013 6.0248 6.0248 6.3050 6.3050 6.3671 6.3671 7.1079 7.1079 7.1811 7.1811 7.3010 7.3010 7.3160 7.3160 7.6657 7.6657 7.6814 7.6814 7.7934 7.7934 7.8166 7.8166 8.7308 8.7308 8.7660 8.7660 8.9559 8.9559 9.0039 9.0039 9.4300 9.4300 9.4313 9.4313 9.7403 9.7403 9.7822 9.7822 14.7822 14.7822 14.7928 14.7928 15.0719 15.0719 15.0862 15.0862 15.3730 15.3730 15.3780 15.3780 k = 0.5000 0.1872 0.2604 ( 4134 PWs) bands (ev): 4.4926 4.4926 4.4952 4.4952 4.6697 4.6697 4.6734 4.6734 5.1887 5.1887 5.2320 5.2320 5.4369 5.4369 5.5047 5.5047 5.9940 5.9940 6.0211 6.0211 6.2823 6.2823 6.3517 6.3517 7.0828 7.0828 7.1723 7.1723 7.2722 7.2722 7.2976 7.2976 7.6409 7.6409 7.6666 7.6666 7.7861 7.7861 7.8043 7.8043 8.7631 8.7631 8.7871 8.7871 8.9772 8.9772 9.0134 9.0134 9.4556 9.4556 9.4588 9.4588 9.7996 9.7996 9.8436 9.8436 14.7150 14.7150 14.7372 14.7372 14.9547 14.9547 14.9623 14.9623 15.3037 15.3037 15.3307 15.3307 k = 0.5000 0.1768 0.2604 ( 4134 PWs) bands (ev): 4.5036 4.5036 4.5061 4.5061 4.6755 4.6755 4.6801 4.6801 5.1921 5.1921 5.2402 5.2402 5.4342 5.4342 5.5095 5.5095 5.9863 5.9863 6.0162 6.0162 6.2583 6.2583 6.3348 6.3348 7.0516 7.0516 7.1507 7.1507 7.2525 7.2525 7.2829 7.2829 7.6157 7.6157 7.6511 7.6511 7.7791 7.7791 7.7919 7.7919 8.7942 8.7942 8.8081 8.8081 8.9977 8.9977 9.0229 9.0229 9.4862 9.4862 9.4936 9.4936 9.8649 9.8649 9.9105 9.9105 14.6379 14.6379 14.6696 14.6696 14.8342 14.8342 14.8364 14.8364 15.2400 15.2400 15.2836 15.2836 k = 0.5000 0.1664 0.2604 ( 4132 PWs) bands (ev): 4.5156 4.5156 4.5179 4.5179 4.6820 4.6820 4.6875 4.6875 5.1961 5.1961 5.2489 5.2489 5.4313 5.4313 5.5140 5.5140 5.9784 5.9784 6.0102 6.0102 6.2336 6.2336 6.3167 6.3167 7.0158 7.0158 7.1167 7.1167 7.2419 7.2419 7.2706 7.2706 7.5917 7.5917 7.6353 7.6353 7.7722 7.7722 7.7798 7.7798 8.8225 8.8225 8.8280 8.8280 9.0168 9.0168 9.0324 9.0324 9.5236 9.5236 9.5347 9.5347 9.9355 9.9355 9.9818 9.9818 14.5510 14.5510 14.5892 14.5892 14.7118 14.7118 14.7141 14.7141 15.1824 15.1824 15.2367 15.2367 k = 0.5000 0.1560 0.2604 ( 4130 PWs) bands (ev): 4.5284 4.5284 4.5306 4.5306 4.6893 4.6893 4.6957 4.6957 5.2005 5.2005 5.2580 5.2580 5.4282 5.4282 5.5180 5.5180 5.9704 5.9704 6.0030 6.0030 6.2083 6.2083 6.2977 6.2977 6.9771 6.9771 7.0758 7.0758 7.2357 7.2357 7.2591 7.2591 7.5703 7.5703 7.6199 7.6199 7.7652 7.7652 7.7683 7.7683 8.8462 8.8462 8.8473 8.8473 9.0339 9.0339 9.0415 9.0415 9.5679 9.5679 9.5822 9.5822 10.0102 10.0102 10.0568 10.0568 14.4545 14.4545 14.4952 14.4952 14.5909 14.5909 14.5982 14.5982 15.1306 15.1306 15.1907 15.1907 k = 0.5000 0.1456 0.2604 ( 4136 PWs) bands (ev): 4.5420 4.5420 4.5440 4.5440 4.6972 4.6972 4.7044 4.7044 5.2053 5.2053 5.2675 5.2675 5.4249 5.4249 5.5213 5.5213 5.9625 5.9625 5.9949 5.9949 6.1828 6.1828 6.2781 6.2781 6.9373 6.9373 7.0322 7.0322 7.2300 7.2300 7.2468 7.2468 7.5525 7.5525 7.6058 7.6058 7.7573 7.7573 7.7582 7.7582 8.8625 8.8625 8.8683 8.8683 9.0486 9.0486 9.0503 9.0503 9.6187 9.6187 9.6355 9.6355 10.0881 10.0881 10.1345 10.1345 14.3493 14.3493 14.3884 14.3884 14.4753 14.4753 14.4885 14.4885 15.0843 15.0843 15.1461 15.1461 k = 0.5000 0.1352 0.2604 ( 4140 PWs) bands (ev): 4.5562 4.5562 4.5580 4.5580 4.7057 4.7057 4.7137 4.7137 5.2103 5.2103 5.2772 5.2772 5.4214 5.4214 5.5239 5.5239 5.9549 5.9549 5.9858 5.9858 6.1575 6.1575 6.2579 6.2579 6.8977 6.8977 6.9880 6.9880 7.2230 7.2230 7.2330 7.2330 7.5391 7.5391 7.5936 7.5936 7.7469 7.7469 7.7510 7.7510 8.8768 8.8768 8.8858 8.8858 9.0584 9.0584 9.0609 9.0609 9.6753 9.6753 9.6938 9.6938 10.1685 10.1685 10.2141 10.2141 14.2379 14.2379 14.2737 14.2737 14.3646 14.3646 14.3833 14.3833 15.0429 15.0429 15.1037 15.1037 k = 0.5000 0.1248 0.2604 ( 4140 PWs) bands (ev): 4.5709 4.5709 4.5724 4.5724 4.7147 4.7147 4.7233 4.7233 5.2156 5.2156 5.2869 5.2869 5.4177 5.4177 5.5255 5.5255 5.9477 5.9477 5.9760 5.9760 6.1327 6.1327 6.2375 6.2375 6.8592 6.8592 6.9446 6.9446 7.2140 7.2140 7.2171 7.2171 7.5302 7.5302 7.5841 7.5841 7.7369 7.7369 7.7437 7.7437 8.8893 8.8893 8.9001 8.9001 9.0658 9.0658 9.0708 9.0708 9.7363 9.7363 9.7562 9.7562 10.2503 10.2503 10.2946 10.2946 14.1240 14.1240 14.1564 14.1564 14.2574 14.2574 14.2801 14.2801 15.0060 15.0060 15.0637 15.0637 k = 0.5000 0.1144 0.2604 ( 4144 PWs) bands (ev): 4.5857 4.5857 4.5869 4.5869 4.7240 4.7240 4.7333 4.7333 5.2211 5.2211 5.2964 5.2964 5.4139 5.4139 5.5260 5.5260 5.9411 5.9411 5.9656 5.9656 6.1087 6.1087 6.2170 6.2170 6.8227 6.8227 6.9027 6.9027 7.1995 7.1995 7.2027 7.2027 7.5256 7.5256 7.5774 7.5774 7.7271 7.7271 7.7361 7.7361 8.9003 8.9003 8.9117 8.9117 9.0723 9.0723 9.0788 9.0788 9.8007 9.8007 9.8214 9.8214 10.3326 10.3326 10.3753 10.3753 14.0109 14.0109 14.0403 14.0403 14.1527 14.1527 14.1777 14.1777 14.9729 14.9729 15.0267 15.0267 k = 0.5000 0.1040 0.2604 ( 4150 PWs) bands (ev): 4.6004 4.6004 4.6014 4.6014 4.7336 4.7336 4.7434 4.7434 5.2267 5.2267 5.3054 5.3054 5.4102 5.4102 5.5253 5.5253 5.9351 5.9351 5.9550 5.9550 6.0861 6.0861 6.1964 6.1964 6.7889 6.7889 6.8631 6.8631 7.1809 7.1809 7.1895 7.1895 7.5247 7.5247 7.5735 7.5735 7.7174 7.7174 7.7283 7.7283 8.9098 8.9098 8.9212 8.9212 9.0779 9.0779 9.0851 9.0851 9.8670 9.8670 9.8880 9.8880 10.4144 10.4144 10.4551 10.4551 13.9009 13.9009 13.9277 13.9277 14.0503 14.0503 14.0765 14.0765 14.9436 14.9436 14.9926 14.9926 k = 0.5000 0.0936 0.2604 ( 4152 PWs) bands (ev): 4.6150 4.6150 4.6156 4.6156 4.7434 4.7434 4.7534 4.7534 5.2324 5.2324 5.3134 5.3134 5.4070 5.4070 5.5233 5.5233 5.9298 5.9298 5.9444 5.9444 6.0650 6.0650 6.1758 6.1758 6.7582 6.7582 6.8261 6.8261 7.1618 7.1618 7.1747 7.1747 7.5268 7.5268 7.5723 7.5723 7.7079 7.7079 7.7203 7.7203 8.9180 8.9180 8.9289 8.9289 9.0827 9.0827 9.0899 9.0899 9.9339 9.9339 9.9548 9.9548 10.4947 10.4947 10.5329 10.5329 13.7962 13.7962 13.8203 13.8203 13.9507 13.9507 13.9772 13.9772 14.9176 14.9176 14.9615 14.9615 k = 0.5000 0.0832 0.2604 ( 4146 PWs) bands (ev): 4.6289 4.6289 4.6293 4.6293 4.7531 4.7531 4.7632 4.7632 5.2381 5.2381 5.3198 5.3198 5.4050 5.4050 5.5199 5.5199 5.9251 5.9251 5.9340 5.9340 6.0462 6.0462 6.1554 6.1554 6.7309 6.7309 6.7921 6.7921 7.1432 7.1432 7.1590 7.1590 7.5312 7.5312 7.5734 7.5734 7.6984 7.6984 7.7122 7.7122 8.9252 8.9252 8.9351 8.9351 9.0868 9.0868 9.0936 9.0936 9.9999 9.9999 10.0202 10.0202 10.5723 10.5723 10.6078 10.6078 13.6982 13.6982 13.7197 13.7197 13.8548 13.8548 13.8810 13.8810 14.8948 14.8948 14.9336 14.9336 k = 0.5000 0.0728 0.2604 ( 4146 PWs) bands (ev): 4.6421 4.6421 4.6422 4.6422 4.7626 4.7626 4.7726 4.7726 5.2440 5.2440 5.3237 5.3237 5.4049 5.4049 5.5153 5.5153 5.9208 5.9208 5.9243 5.9243 6.0301 6.0301 6.1353 6.1353 6.7072 6.7072 6.7613 6.7613 7.1256 7.1256 7.1431 7.1431 7.5374 7.5374 7.5762 7.5762 7.6891 7.6891 7.7039 7.7039 8.9313 8.9313 8.9401 8.9401 9.0902 9.0902 9.0964 9.0964 10.0636 10.0636 10.0830 10.0830 10.6461 10.6461 10.6784 10.6784 13.6085 13.6085 13.6271 13.6271 13.7638 13.7638 13.7893 13.7893 14.8752 14.8752 14.9089 14.9089 k = 0.5000 0.0624 0.2604 ( 4150 PWs) bands (ev): 4.6540 4.6540 4.6542 4.6542 4.7717 4.7717 4.7813 4.7813 5.2498 5.2498 5.3246 5.3246 5.4073 5.4073 5.5095 5.5095 5.9154 5.9154 5.9165 5.9165 6.0174 6.0174 6.1157 6.1157 6.6874 6.6874 6.7340 6.7340 7.1097 7.1097 7.1274 7.1274 7.5449 7.5449 7.5804 7.5804 7.6798 7.6798 7.6955 7.6955 8.9366 8.9366 8.9442 8.9442 9.0930 9.0930 9.0984 9.0984 10.1236 10.1236 10.1415 10.1415 10.7148 10.7148 10.7434 10.7434 13.5283 13.5283 13.5439 13.5439 13.6792 13.6792 13.7033 13.7033 14.8586 14.8586 14.8872 14.8872 k = 0.5000 0.0520 0.2604 ( 4150 PWs) bands (ev): 4.6646 4.6646 4.6649 4.6649 4.7802 4.7802 4.7890 4.7890 5.2559 5.2559 5.3226 5.3226 5.4122 5.4122 5.5026 5.5026 5.9076 5.9076 5.9120 5.9120 6.0085 6.0085 6.0967 6.0967 6.6713 6.6713 6.7102 6.7102 7.0960 7.0960 7.1127 7.1127 7.5532 7.5532 7.5854 7.5854 7.6709 7.6709 7.6870 7.6870 8.9410 8.9410 8.9473 8.9473 9.0952 9.0952 9.0998 9.0998 10.1783 10.1783 10.1942 10.1942 10.7768 10.7768 10.8015 10.8015 13.4591 13.4591 13.4715 13.4715 13.6026 13.6026 13.6248 13.6248 14.8449 14.8449 14.8685 14.8685 k = 0.5000 0.0416 0.2604 ( 4150 PWs) bands (ev): 4.6736 4.6736 4.6740 4.6740 4.7879 4.7879 4.7956 4.7956 5.2621 5.2621 5.3181 5.3181 5.4193 5.4193 5.4948 5.4948 5.9013 5.9013 5.9073 5.9073 6.0038 6.0038 6.0787 6.0787 6.6590 6.6590 6.6901 6.6901 7.0847 7.0847 7.0995 7.0995 7.5619 7.5619 7.5906 7.5906 7.6626 7.6626 7.6787 7.6787 8.9446 8.9446 8.9497 8.9497 9.0971 9.0971 9.1007 9.1007 10.2263 10.2263 10.2397 10.2397 10.8308 10.8308 10.8511 10.8511 13.4018 13.4018 13.4111 13.4111 13.5359 13.5359 13.5555 13.5555 14.8341 14.8341 14.8529 14.8529 k = 0.5000 0.0312 0.2604 ( 4138 PWs) bands (ev): 4.6809 4.6809 4.6813 4.6813 4.7945 4.7945 4.8007 4.8007 5.2685 5.2685 5.3120 5.3120 5.4279 5.4279 5.4861 5.4861 5.8965 5.8965 5.9024 5.9024 6.0032 6.0032 6.0619 6.0619 6.6504 6.6504 6.6737 6.6737 7.0763 7.0763 7.0882 7.0882 7.5709 7.5709 7.5952 7.5952 7.6554 7.6554 7.6705 7.6705 8.9476 8.9476 8.9513 8.9513 9.0985 9.0985 9.1013 9.1013 10.2659 10.2659 10.2765 10.2765 10.8754 10.8754 10.8909 10.8909 13.3574 13.3574 13.3636 13.3636 13.4812 13.4812 13.4974 13.4974 14.8263 14.8263 14.8403 14.8403 k = 0.5000 0.0208 0.2604 ( 4136 PWs) bands (ev): 4.6862 4.6862 4.6865 4.6865 4.7998 4.7998 4.8041 4.8041 5.2753 5.2753 5.3049 5.3049 5.4373 5.4373 5.4769 5.4769 5.8934 5.8934 5.8981 5.8981 6.0063 6.0063 6.0466 6.0466 6.6454 6.6454 6.6609 6.6609 7.0708 7.0708 7.0791 7.0791 7.5797 7.5797 7.5981 7.5981 7.6504 7.6504 7.6628 7.6628 8.9498 8.9498 8.9523 8.9523 9.0997 9.0997 9.1015 9.1015 10.2960 10.2960 10.3033 10.3033 10.9091 10.9091 10.9196 10.9196 13.3261 13.3261 13.3297 13.3297 13.4407 13.4407 13.4525 13.4525 14.8214 14.8214 14.8307 14.8307 k = 0.5000 0.0104 0.2604 ( 4130 PWs) bands (ev): 4.6896 4.6896 4.6897 4.6897 4.8036 4.8036 4.8058 4.8058 5.2824 5.2824 5.2974 5.2974 5.4472 5.4472 5.4672 5.4672 5.8921 5.8921 5.8946 5.8946 6.0126 6.0126 6.0331 6.0331 6.6440 6.6440 6.6517 6.6517 7.0684 7.0684 7.0726 7.0726 7.5877 7.5877 7.5980 7.5980 7.6488 7.6488 7.6561 7.6561 8.9514 8.9514 8.9527 8.9527 9.1005 9.1005 9.1014 9.1014 10.3153 10.3153 10.3190 10.3190 10.9309 10.9309 10.9362 10.9362 13.3078 13.3078 13.3093 13.3093 13.4167 13.4167 13.4229 13.4229 14.8194 14.8194 14.8240 14.8240 k = 0.5000-0.0000 0.2604 ( 4136 PWs) bands (ev): 4.6907 4.6907 4.6907 4.6907 4.8056 4.8056 4.8056 4.8056 5.2898 5.2898 5.2898 5.2898 5.4572 5.4572 5.4572 5.4572 5.8925 5.8925 5.8925 5.8925 6.0216 6.0216 6.0216 6.0216 6.6461 6.6461 6.6461 6.6461 7.0690 7.0690 7.0690 7.0690 7.5942 7.5942 7.5942 7.5942 7.6510 7.6510 7.6510 7.6510 8.9523 8.9523 8.9523 8.9523 9.1011 9.1011 9.1011 9.1011 10.3231 10.3231 10.3231 10.3231 10.9400 10.9400 10.9400 10.9400 13.3022 13.3022 13.3022 13.3022 13.4106 13.4106 13.4106 13.4106 14.8202 14.8202 14.8202 14.8202 k = 0.5000-0.0000 0.2604 ( 4136 PWs) bands (ev): 4.6907 4.6907 4.6907 4.6907 4.8056 4.8056 4.8056 4.8056 5.2898 5.2898 5.2898 5.2898 5.4572 5.4572 5.4572 5.4572 5.8925 5.8925 5.8925 5.8925 6.0216 6.0216 6.0216 6.0216 6.6461 6.6461 6.6461 6.6461 7.0690 7.0690 7.0690 7.0690 7.5942 7.5942 7.5942 7.5942 7.6510 7.6510 7.6510 7.6510 8.9523 8.9523 8.9523 8.9523 9.1011 9.1011 9.1011 9.1011 10.3231 10.3231 10.3231 10.3231 10.9400 10.9400 10.9400 10.9400 13.3022 13.3022 13.3022 13.3022 13.4106 13.4106 13.4106 13.4106 14.8202 14.8202 14.8202 14.8202 k = 0.5000-0.0000 0.2500 ( 4134 PWs) bands (ev): 4.6891 4.6891 4.6909 4.6909 4.8035 4.8035 4.8058 4.8058 5.2850 5.2850 5.2916 5.2916 5.4517 5.4517 5.4650 5.4650 5.8749 5.8749 5.9010 5.9010 6.0179 6.0179 6.0409 6.0409 6.6421 6.6421 6.6492 6.6492 7.0673 7.0673 7.0726 7.0726 7.5776 7.5776 7.5799 7.5799 7.6667 7.6667 7.6673 7.6673 8.9484 8.9484 8.9549 8.9549 9.0996 9.0996 9.1047 9.1047 10.3214 10.3214 10.3242 10.3242 10.9392 10.9392 10.9420 10.9420 13.2964 13.2964 13.2988 13.2988 13.4169 13.4169 13.4174 13.4174 14.7846 14.7846 14.8002 14.8002 k = 0.5000-0.0000 0.2396 ( 4130 PWs) bands (ev): 4.6859 4.6859 4.6894 4.6894 4.7994 4.7994 4.8041 4.8041 5.2778 5.2778 5.2900 5.2900 5.4488 5.4488 5.4741 5.4741 5.8547 5.8547 5.8966 5.8966 6.0330 6.0330 6.0691 6.0691 6.6372 6.6372 6.6512 6.6512 7.0675 7.0675 7.0779 7.0779 7.5488 7.5488 7.5524 7.5524 7.6969 7.6969 7.6969 7.6969 8.9432 8.9432 8.9557 8.9557 9.1005 9.1005 9.1100 9.1100 10.3194 10.3194 10.3249 10.3249 10.9396 10.9396 10.9450 10.9450 13.2838 13.2838 13.2883 13.2883 13.4336 13.4336 13.4351 13.4351 14.7023 14.7023 14.7307 14.7307 k = 0.5000-0.0000 0.2292 ( 4140 PWs) bands (ev): 4.6810 4.6810 4.6864 4.6864 4.7936 4.7936 4.8007 4.8007 5.2695 5.2695 5.2854 5.2854 5.4485 5.4485 5.4836 5.4836 5.8352 5.8352 5.8846 5.8846 6.0613 6.0613 6.1024 6.1024 6.6318 6.6318 6.6523 6.6523 7.0695 7.0695 7.0850 7.0850 7.5183 7.5183 7.5232 7.5232 7.7294 7.7294 7.7302 7.7302 8.9372 8.9372 8.9545 8.9545 9.1040 9.1040 9.1168 9.1168 10.3170 10.3170 10.3251 10.3251 10.9411 10.9411 10.9491 10.9491 13.2670 13.2670 13.2735 13.2735 13.4568 13.4568 13.4596 13.4596 14.5898 14.5898 14.6281 14.6281 k = 0.5000-0.0000 0.2188 ( 4144 PWs) bands (ev): 4.6742 4.6742 4.6815 4.6815 4.7861 4.7861 4.7957 4.7957 5.2611 5.2611 5.2791 5.2791 5.4503 5.4503 5.4929 5.4929 5.8180 5.8180 5.8705 5.8705 6.0961 6.0961 6.1385 6.1385 6.6260 6.6260 6.6525 6.6525 7.0732 7.0732 7.0937 7.0937 7.4881 7.4881 7.4946 7.4946 7.7629 7.7629 7.7645 7.7645 8.9305 8.9305 8.9516 8.9516 9.1103 9.1103 9.1250 9.1250 10.3143 10.3143 10.3248 10.3248 10.9436 10.9436 10.9540 10.9540 13.2468 13.2468 13.2552 13.2552 13.4839 13.4839 13.4883 13.4883 14.4629 14.4629 14.5087 14.5087 k = 0.5000-0.0000 0.2084 ( 4144 PWs) bands (ev): 4.6654 4.6654 4.6744 4.6744 4.7774 4.7774 4.7896 4.7896 5.2535 5.2535 5.2723 5.2723 5.4535 5.4535 5.5015 5.5015 5.8033 5.8033 5.8569 5.8569 6.1340 6.1340 6.1759 6.1759 6.6200 6.6200 6.6517 6.6517 7.0784 7.0784 7.1038 7.1038 7.4592 7.4592 7.4675 7.4675 7.7969 7.7969 7.7994 7.7994 8.9234 8.9234 8.9469 8.9469 9.1194 9.1194 9.1348 9.1348 10.3113 10.3113 10.3241 10.3241 10.9471 10.9471 10.9596 10.9596 13.2215 13.2215 13.2318 13.2318 13.5129 13.5129 13.5191 13.5191 14.3340 14.3340 14.3859 14.3859 k = 0.5000-0.0000 0.1979 ( 4140 PWs) bands (ev): 4.6543 4.6543 4.6648 4.6648 4.7682 4.7682 4.7826 4.7826 5.2474 5.2474 5.2660 5.2660 5.4574 5.4574 5.5091 5.5091 5.7914 5.7914 5.8446 5.8446 6.1727 6.1727 6.2132 6.2132 6.6142 6.6142 6.6502 6.6502 7.0849 7.0849 7.1152 7.1152 7.4320 7.4320 7.4427 7.4427 7.8310 7.8310 7.8346 7.8346 8.9160 8.9160 8.9407 8.9407 9.1314 9.1314 9.1460 9.1460 10.3081 10.3081 10.3231 10.3231 10.9514 10.9514 10.9656 10.9656 13.1881 13.1881 13.2000 13.2000 13.5421 13.5421 13.5500 13.5500 14.2141 14.2141 14.2709 14.2709 k = 0.5000-0.0000 0.1875 ( 4140 PWs) bands (ev): 4.6407 4.6407 4.6523 4.6523 4.7592 4.7592 4.7754 4.7754 5.2433 5.2433 5.2612 5.2612 5.4616 5.4616 5.5156 5.5156 5.7821 5.7821 5.8340 5.8340 6.2108 6.2108 6.2491 6.2491 6.6088 6.6088 6.6479 6.6479 7.0926 7.0926 7.1277 7.1277 7.4071 7.4071 7.4205 7.4205 7.8653 7.8653 7.8700 7.8700 8.9084 8.9084 8.9334 8.9334 9.1463 9.1463 9.1591 9.1591 10.3048 10.3048 10.3218 10.3218 10.9562 10.9562 10.9720 10.9720 13.1417 13.1417 13.1545 13.1545 13.5699 13.5699 13.5788 13.5788 14.1144 14.1144 14.1740 14.1740 k = 0.5000-0.0000 0.1771 ( 4144 PWs) bands (ev): 4.6248 4.6248 4.6367 4.6367 4.7509 4.7509 4.7682 4.7682 5.2412 5.2412 5.2582 5.2582 5.4658 5.4658 5.5210 5.5210 5.7752 5.7752 5.8250 5.8250 6.2469 6.2469 6.2823 6.2823 6.6040 6.6040 6.6448 6.6448 7.1013 7.1013 7.1412 7.1412 7.3849 7.3849 7.4016 7.4016 7.8995 7.8995 7.9055 7.9055 8.9007 8.9007 8.9252 8.9252 9.1643 9.1643 9.1742 9.1742 10.3014 10.3014 10.3202 10.3202 10.9614 10.9614 10.9785 10.9785 13.0772 13.0772 13.0896 13.0896 13.5945 13.5945 13.6032 13.6032 14.0449 14.0449 14.1043 14.1043 k = 0.5000-0.0000 0.1667 ( 4144 PWs) bands (ev): 4.6067 4.6067 4.6183 4.6183 4.7438 4.7438 4.7613 4.7613 5.2412 5.2412 5.2571 5.2571 5.4699 5.4699 5.5252 5.5252 5.7706 5.7706 5.8178 5.8178 6.2801 6.2801 6.3117 6.3117 6.6001 6.6001 6.6409 6.6409 7.1110 7.1110 7.1555 7.1555 7.3659 7.3659 7.3863 7.3863 7.9336 7.9336 7.9410 7.9410 8.8930 8.8930 8.9164 8.9164 9.1855 9.1855 9.1919 9.1919 10.2980 10.2980 10.3184 10.3184 10.9668 10.9668 10.9847 10.9847 12.9914 12.9914 13.0014 13.0014 13.6159 13.6159 13.6225 13.6225 14.0115 14.0115 14.0667 14.0667 k = 0.5000-0.0000 0.1563 ( 4142 PWs) bands (ev): 4.5867 4.5867 4.5977 4.5977 4.7378 4.7378 4.7551 4.7551 5.2432 5.2432 5.2580 5.2580 5.4738 5.4738 5.5284 5.5284 5.7679 5.7679 5.8120 5.8120 6.3095 6.3095 6.3363 6.3363 6.5970 6.5970 6.6359 6.6359 7.1216 7.1216 7.1704 7.1704 7.3506 7.3506 7.3749 7.3749 7.9676 7.9676 7.9764 7.9764 8.8853 8.8853 8.9072 8.9072 9.2103 9.2103 9.2125 9.2125 10.2947 10.2947 10.3166 10.3166 10.9720 10.9720 10.9905 10.9905 12.8846 12.8846 12.8910 12.8910 13.6360 13.6360 13.6394 13.6394 14.0115 14.0115 14.0602 14.0602 k = 0.5000-0.0000 0.1458 ( 4146 PWs) bands (ev): 4.5655 4.5655 4.5754 4.5754 4.7328 4.7328 4.7495 4.7495 5.2468 5.2468 5.2606 5.2606 5.4774 5.4774 5.5307 5.5307 5.7671 5.7671 5.8078 5.8078 6.3346 6.3346 6.3556 6.3556 6.5945 6.5945 6.6298 6.6298 7.1332 7.1332 7.1857 7.1857 7.3392 7.3392 7.3674 7.3674 8.0014 8.0014 8.0116 8.0116 8.8777 8.8777 8.8978 8.8978 9.2367 9.2367 9.2389 9.2389 10.2914 10.2914 10.3147 10.3147 10.9767 10.9767 10.9956 10.9956 12.7606 12.7606 12.7630 12.7630 13.6576 13.6576 13.6582 13.6582 14.0367 14.0367 14.0784 14.0784 k = 0.5000-0.0000 0.1354 ( 4142 PWs) bands (ev): 4.5434 4.5434 4.5523 4.5523 4.7288 4.7288 4.7446 4.7446 5.2518 5.2518 5.2646 5.2646 5.4807 5.4807 5.5320 5.5320 5.7680 5.7680 5.8049 5.8049 6.3552 6.3552 6.3695 6.3695 6.5924 6.5924 6.6223 6.6223 7.1458 7.1458 7.2010 7.2010 7.3319 7.3319 7.3636 7.3636 8.0347 8.0347 8.0463 8.0463 8.8702 8.8702 8.8883 8.8883 9.2649 9.2649 9.2719 9.2719 10.2882 10.2882 10.3128 10.3128 10.9806 10.9806 10.9996 10.9996 12.6232 12.6232 12.6245 12.6245 13.6818 13.6818 13.6834 13.6834 14.0786 14.0786 14.1144 14.1144 k = 0.5000-0.0000 0.1250 ( 4148 PWs) bands (ev): 4.5212 4.5212 4.5290 4.5290 4.7255 4.7255 4.7402 4.7402 5.2578 5.2578 5.2697 5.2697 5.4838 5.4838 5.5326 5.5326 5.7703 5.7703 5.8034 5.8034 6.3713 6.3713 6.3783 6.3783 6.5900 6.5900 6.6135 6.6135 7.1592 7.1592 7.2158 7.2158 7.3290 7.3290 7.3632 7.3632 8.0675 8.0675 8.0802 8.0802 8.8628 8.8628 8.8789 8.8789 9.2978 9.2978 9.3096 9.3096 10.2852 10.2852 10.3111 10.3111 10.9832 10.9832 11.0022 11.0022 12.4767 12.4767 12.4813 12.4813 13.7115 13.7115 13.7143 13.7143 14.1314 14.1314 14.1625 14.1625 k = 0.5000-0.0000 0.1146 ( 4154 PWs) bands (ev): 4.4992 4.4992 4.5060 4.5060 4.7228 4.7228 4.7364 4.7364 5.2646 5.2646 5.2757 5.2757 5.4867 5.4867 5.5325 5.5325 5.7740 5.7740 5.8032 5.8032 6.3828 6.3828 6.3830 6.3830 6.5870 6.5870 6.6034 6.6034 7.1732 7.1732 7.2296 7.2296 7.3304 7.3304 7.3656 7.3656 8.0993 8.0993 8.1131 8.1131 8.8557 8.8557 8.8698 8.8698 9.3360 9.3360 9.3524 9.3524 10.2824 10.2824 10.3094 10.3094 10.9841 10.9841 11.0028 11.0028 12.3276 12.3276 12.3348 12.3348 13.7469 13.7469 13.7504 13.7504 14.1912 14.1912 14.2188 14.2188 k = 0.5000-0.0000 0.1042 ( 4160 PWs) bands (ev): 4.4780 4.4780 4.4838 4.4838 4.7206 4.7206 4.7331 4.7331 5.2718 5.2718 5.2821 5.2821 5.4893 5.4893 5.5318 5.5318 5.7787 5.7787 5.8040 5.8040 6.3837 6.3837 6.3907 6.3907 6.5830 6.5830 6.5925 6.5925 7.1874 7.1874 7.2417 7.2417 7.3356 7.3356 7.3703 7.3703 8.1299 8.1299 8.1444 8.1444 8.8489 8.8489 8.8610 8.8610 9.3798 9.3798 9.4007 9.4007 10.2797 10.2797 10.3080 10.3080 10.9825 10.9825 11.0009 11.0009 12.1793 12.1793 12.1884 12.1884 13.7875 13.7875 13.7915 13.7915 14.2557 14.2557 14.2805 14.2805 k = 0.5000-0.0000 0.0938 ( 4162 PWs) bands (ev): 4.4578 4.4578 4.4628 4.4628 4.7189 4.7189 4.7302 4.7302 5.2792 5.2792 5.2887 5.2887 5.4917 5.4917 5.5307 5.5307 5.7844 5.7844 5.8059 5.8059 6.3819 6.3819 6.3947 6.3947 6.5780 6.5780 6.5813 6.5813 7.2016 7.2016 7.2519 7.2519 7.3441 7.3441 7.3766 7.3766 8.1589 8.1589 8.1738 8.1738 8.8424 8.8424 8.8526 8.8526 9.4297 9.4297 9.4546 9.4546 10.2771 10.2771 10.3069 10.3069 10.9776 10.9776 10.9954 10.9954 12.0346 12.0346 12.0451 12.0451 13.8326 13.8326 13.8367 13.8367 14.3229 14.3229 14.3457 14.3457 k = 0.5000-0.0000 0.0833 ( 4162 PWs) bands (ev): 4.4391 4.4391 4.4433 4.4433 4.7175 4.7175 4.7276 4.7276 5.2866 5.2866 5.2952 5.2952 5.4941 5.4941 5.5292 5.5292 5.7908 5.7908 5.8087 5.8087 6.3781 6.3781 6.3952 6.3952 6.5704 6.5704 6.5723 6.5723 7.2152 7.2152 7.2603 7.2603 7.3549 7.3549 7.3839 7.3839 8.1861 8.1861 8.2008 8.2008 8.8363 8.8363 8.8448 8.8448 9.4855 9.4855 9.5142 9.5142 10.2748 10.2748 10.3060 10.3060 10.9681 10.9681 10.9853 10.9853 11.8965 11.8965 11.9077 11.9077 13.8811 13.8811 13.8852 13.8852 14.3911 14.3911 14.4125 14.4125 k = 0.5000-0.0000 0.0729 ( 4162 PWs) bands (ev): 4.4220 4.4220 4.4255 4.4255 4.7165 4.7165 4.7254 4.7254 5.2936 5.2936 5.3014 5.3014 5.4963 5.4963 5.5273 5.5273 5.7977 5.7977 5.8122 5.8122 6.3729 6.3729 6.3928 6.3928 6.5605 6.5605 6.5663 6.5663 7.2279 7.2279 7.2671 7.2671 7.3666 7.3666 7.3917 7.3917 8.2109 8.2109 8.2250 8.2250 8.8307 8.8307 8.8377 8.8377 9.5470 9.5470 9.5789 9.5789 10.2726 10.2726 10.3056 10.3056 10.9523 10.9523 10.9687 10.9687 11.7682 11.7682 11.7796 11.7796 13.9320 13.9320 13.9360 13.9360 14.4585 14.4585 14.4789 14.4789 k = 0.5000-0.0000 0.0625 ( 4168 PWs) bands (ev): 4.4069 4.4069 4.4098 4.4098 4.7158 4.7158 4.7234 4.7234 5.3002 5.3002 5.3070 5.3070 5.4984 5.4984 5.5253 5.5253 5.8047 5.8047 5.8162 5.8162 6.3670 6.3670 6.3879 6.3879 6.5520 6.5520 6.5601 6.5601 7.2395 7.2395 7.2726 7.2726 7.3785 7.3785 7.3992 7.3992 8.2331 8.2331 8.2462 8.2462 8.8257 8.8257 8.8313 8.8313 9.6135 9.6135 9.6479 9.6479 10.2707 10.2707 10.3055 10.3055 10.9283 10.9283 10.9436 10.9436 11.6536 11.6536 11.6644 11.6644 13.9840 13.9840 13.9878 13.9878 14.5231 14.5231 14.5427 14.5427 k = 0.5000-0.0000 0.0521 ( 4164 PWs) bands (ev): 4.3938 4.3938 4.3962 4.3962 4.7153 4.7153 4.7217 4.7217 5.3061 5.3061 5.3120 5.3120 5.5005 5.5005 5.5231 5.5231 5.8115 5.8115 5.8203 5.8203 6.3610 6.3610 6.3812 6.3812 6.5453 6.5453 6.5543 6.5543 7.2499 7.2499 7.2769 7.2769 7.3895 7.3895 7.4062 7.4062 8.2524 8.2524 8.2641 8.2641 8.8213 8.8213 8.8256 8.8256 9.6835 9.6835 9.7198 9.7198 10.2692 10.2692 10.3058 10.3058 10.8942 10.8942 10.9081 10.9081 11.5565 11.5565 11.5661 11.5661 14.0355 14.0355 14.0390 14.0390 14.5824 14.5824 14.6011 14.6011 k = 0.5000-0.0000 0.0417 ( 4162 PWs) bands (ev): 4.3830 4.3830 4.3848 4.3848 4.7151 4.7151 4.7202 4.7202 5.3113 5.3113 5.3161 5.3161 5.5026 5.5026 5.5207 5.5207 5.8178 5.8178 5.8243 5.8243 6.3555 6.3555 6.3735 6.3735 6.5404 6.5404 6.5490 6.5490 7.2589 7.2589 7.2800 7.2800 7.3993 7.3993 7.4122 7.4122 8.2688 8.2688 8.2785 8.2785 8.8176 8.8176 8.8209 8.8209 9.7549 9.7549 9.7917 9.7917 10.2685 10.2685 10.3065 10.3065 10.8497 10.8497 10.8622 10.8622 11.4798 11.4798 11.4876 11.4876 14.0845 14.0845 14.0875 14.0875 14.6337 14.6337 14.6511 14.6511 k = 0.5000-0.0000 0.0313 ( 4158 PWs) bands (ev): 4.3745 4.3745 4.3759 4.3759 4.7151 4.7151 4.7190 4.7190 5.3155 5.3155 5.3192 5.3192 5.5047 5.5047 5.5184 5.5184 5.8233 5.8233 5.8278 5.8278 6.3512 6.3512 6.3656 6.3656 6.5372 6.5372 6.5443 6.5443 7.2664 7.2664 7.2820 7.2820 7.4075 7.4075 7.4168 7.4168 8.2819 8.2819 8.2895 8.2895 8.8147 8.8147 8.8171 8.8171 9.8240 9.8240 9.8592 9.8592 10.2694 10.2694 10.3069 10.3069 10.7981 10.7981 10.8089 10.8089 11.4243 11.4243 11.4300 11.4300 14.1284 14.1284 14.1308 14.1308 14.6744 14.6744 14.6894 14.6894 k = 0.5000-0.0000 0.0208 ( 4156 PWs) bands (ev): 4.3685 4.3685 4.3694 4.3694 4.7153 4.7153 4.7179 4.7179 5.3188 5.3188 5.3213 5.3213 5.5069 5.5069 5.5160 5.5160 5.8276 5.8276 5.8304 5.8304 6.3485 6.3485 6.3586 6.3586 6.5355 6.5355 6.5406 6.5406 7.2725 7.2725 7.2827 7.2827 7.4139 7.4139 7.4199 7.4199 8.2917 8.2917 8.2969 8.2969 8.8127 8.8127 8.8142 8.8142 9.8857 9.8857 9.9153 9.9153 10.2732 10.2732 10.3059 10.3059 10.7475 10.7475 10.7562 10.7562 11.3881 11.3881 11.3917 11.3917 14.1638 14.1638 14.1655 14.1655 14.7031 14.7031 14.7144 14.7144 k = 0.5000-0.0000 0.0104 ( 4156 PWs) bands (ev): 4.3649 4.3649 4.3653 4.3653 4.7157 4.7157 4.7170 4.7170 5.3211 5.3211 5.3223 5.3223 5.5091 5.5091 5.5136 5.5136 5.8306 5.8306 5.8319 5.8319 6.3477 6.3477 6.3529 6.3529 6.5351 6.5351 6.5377 6.5377 7.2771 7.2771 7.2822 7.2822 7.4183 7.4183 7.4212 7.4212 8.2982 8.2982 8.3008 8.3008 8.8116 8.8116 8.8123 8.8123 9.9327 9.9327 9.9503 9.9503 10.2813 10.2813 10.3015 10.3015 10.7099 10.7099 10.7152 10.7152 11.3683 11.3683 11.3700 11.3700 14.1873 14.1873 14.1881 14.1881 14.7205 14.7205 14.7266 14.7266 k = 0.5000-0.0000-0.0000 ( 4152 PWs) bands (ev): 4.3639 4.3639 4.3639 4.3639 4.7162 4.7162 4.7162 4.7162 5.3222 5.3222 5.3222 5.3222 5.5113 5.5113 5.5113 5.5113 5.8320 5.8320 5.8320 5.8320 6.3492 6.3492 6.3492 6.3492 6.5359 6.5359 6.5359 6.5359 7.2803 7.2803 7.2803 7.2803 7.4207 7.4207 7.4207 7.4207 8.3012 8.3012 8.3012 8.3012 8.8115 8.8115 8.8115 8.8115 9.9563 9.9563 9.9563 9.9563 10.2923 10.2923 10.2923 10.2923 10.6977 10.6977 10.6977 10.6977 11.3625 11.3625 11.3625 11.3625 14.1958 14.1958 14.1958 14.1958 14.7281 14.7281 14.7281 14.7281 k = 0.0000 0.0000 0.2604 ( 4184 PWs) bands (ev): 2.2875 2.2875 2.4467 2.4467 4.4282 4.4282 4.5579 4.5579 5.1866 5.1866 5.2204 5.2204 5.6724 5.6724 5.6930 5.6930 5.7484 5.7484 5.8761 5.8761 6.1999 6.1999 6.3277 6.3277 6.8869 6.8869 6.9525 6.9525 7.1715 7.1715 7.2217 7.2217 7.5457 7.5457 7.5723 7.5723 7.6764 7.6764 7.7620 7.7620 7.9547 7.9547 8.0812 8.0812 8.4093 8.4093 8.4534 8.4534 8.6658 8.6658 8.6763 8.6763 11.7603 11.7603 11.8517 11.8517 15.0307 15.0307 15.3883 15.3883 16.0158 16.0158 16.0242 16.0242 16.2593 16.2593 16.4715 16.4715 k = 0.0104-0.0000 0.2604 ( 4190 PWs) bands (ev): 2.2890 2.2890 2.4482 2.4482 4.4291 4.4291 4.5586 4.5586 5.1875 5.1875 5.2212 5.2212 5.6718 5.6718 5.6934 5.6934 5.7485 5.7485 5.8762 5.8762 6.1995 6.1995 6.3275 6.3275 6.8866 6.8866 6.9523 6.9523 7.1702 7.1702 7.2219 7.2219 7.5447 7.5447 7.5719 7.5719 7.6752 7.6752 7.7612 7.7612 7.9549 7.9549 8.0815 8.0815 8.3935 8.3935 8.4621 8.4621 8.6555 8.6555 8.7002 8.7002 11.7623 11.7623 11.8538 11.8538 15.0312 15.0312 15.3886 15.3886 15.9970 15.9970 16.0285 16.0285 16.2440 16.2440 16.4709 16.4709 k = 0.0208-0.0000 0.2604 ( 4190 PWs) bands (ev): 2.2937 2.2937 2.4528 2.4528 4.4317 4.4317 4.5609 4.5609 5.1901 5.1901 5.2235 5.2235 5.6701 5.6701 5.6944 5.6944 5.7488 5.7488 5.8767 5.8767 6.1980 6.1980 6.3268 6.3268 6.8856 6.8856 6.9515 6.9515 7.1667 7.1667 7.2223 7.2223 7.5417 7.5417 7.5708 7.5708 7.6719 7.6719 7.7588 7.7588 7.9555 7.9555 8.0824 8.0824 8.3651 8.3651 8.4681 8.4681 8.6609 8.6609 8.7369 8.7369 11.7684 11.7684 11.8600 11.8600 15.0326 15.0326 15.3893 15.3893 15.9515 15.9515 16.0298 16.0298 16.2011 16.2011 16.4699 16.4699 k = 0.0312-0.0000 0.2604 ( 4190 PWs) bands (ev): 2.3014 2.3014 2.4604 2.4604 4.4360 4.4360 4.5647 4.5647 5.1944 5.1944 5.2273 5.2273 5.6676 5.6676 5.6960 5.6960 5.7493 5.7493 5.8776 5.8776 6.1957 6.1957 6.3256 6.3256 6.8841 6.8841 6.9502 6.9502 7.1612 7.1612 7.2227 7.2227 7.5368 7.5368 7.5687 7.5687 7.6664 7.6664 7.7552 7.7552 7.9564 7.9564 8.0837 8.0837 8.3356 8.3356 8.4621 8.4621 8.6866 8.6866 8.7794 8.7794 11.7785 11.7785 11.8703 11.8703 15.0345 15.0345 15.3894 15.3894 15.8810 15.8810 16.0219 16.0219 16.1419 16.1419 16.4704 16.4704 k = 0.0417-0.0000 0.2604 ( 4186 PWs) bands (ev): 2.3122 2.3122 2.4710 2.4710 4.4420 4.4420 4.5700 4.5700 5.2003 5.2003 5.2326 5.2326 5.6643 5.6643 5.6978 5.6978 5.7500 5.7500 5.8787 5.8787 6.1927 6.1927 6.3240 6.3240 6.8819 6.8819 6.9483 6.9483 7.1541 7.1541 7.2228 7.2228 7.5300 7.5300 7.5652 7.5652 7.6590 7.6590 7.7507 7.7507 7.9578 7.9578 8.0852 8.0852 8.3081 8.3081 8.4483 8.4483 8.7266 8.7266 8.8261 8.8261 11.7927 11.7927 11.8847 11.8847 15.0360 15.0360 15.3863 15.3863 15.7894 15.7894 15.9788 15.9788 16.1001 16.1001 16.4740 16.4740 k = 0.0521-0.0000 0.2604 ( 4188 PWs) bands (ev): 2.3261 2.3261 2.4847 2.4847 4.4496 4.4496 4.5768 4.5768 5.2078 5.2078 5.2393 5.2393 5.6604 5.6604 5.6998 5.6998 5.7507 5.7507 5.8800 5.8800 6.1889 6.1889 6.3221 6.3221 6.8792 6.8792 6.9460 6.9460 7.1458 7.1458 7.2225 7.2225 7.5211 7.5211 7.5603 7.5603 7.6501 7.6501 7.7455 7.7455 7.9594 7.9594 8.0865 8.0865 8.2839 8.2839 8.4323 8.4323 8.7753 8.7753 8.8762 8.8762 11.8107 11.8107 11.9031 11.9031 15.0356 15.0356 15.3744 15.3744 15.6849 15.6849 15.8906 15.8906 16.0941 16.0941 16.4814 16.4814 k = 0.0625-0.0000 0.2604 ( 4188 PWs) bands (ev): 2.3430 2.3430 2.5014 2.5014 4.4588 4.4588 4.5849 4.5849 5.2167 5.2167 5.2471 5.2471 5.6561 5.6561 5.7019 5.7019 5.7516 5.7516 5.8815 5.8815 6.1847 6.1847 6.3198 6.3198 6.8759 6.8759 6.9431 6.9431 7.1367 7.1367 7.2217 7.2217 7.5102 7.5102 7.5536 7.5536 7.6402 7.6402 7.7401 7.7401 7.9615 7.9615 8.0873 8.0873 8.2636 8.2636 8.4171 8.4171 8.8292 8.8292 8.9290 8.9290 11.8327 11.8327 11.9255 11.9255 15.0301 15.0301 15.3403 15.3403 15.5807 15.5807 15.7905 15.7905 16.1027 16.1027 16.4926 16.4926 k = 0.0729-0.0000 0.2604 ( 4196 PWs) bands (ev): 2.3630 2.3630 2.5210 2.5210 4.4695 4.4695 4.5944 4.5944 5.2269 5.2269 5.2561 5.2561 5.6513 5.6513 5.7040 5.7040 5.7525 5.7525 5.8831 5.8831 6.1802 6.1802 6.3173 6.3173 6.8720 6.8720 6.9398 6.9398 7.1270 7.1270 7.2204 7.2204 7.4971 7.4971 7.5451 7.5451 7.6299 7.6299 7.7346 7.7346 7.9638 7.9638 8.0870 8.0870 8.2475 8.2475 8.4041 8.4041 8.8867 8.8867 8.9842 8.9842 11.8584 11.8584 11.9516 11.9516 15.0132 15.0132 15.2647 15.2647 15.4920 15.4920 15.7054 15.7054 16.1172 16.1172 16.5075 16.5075 k = 0.0833-0.0000 0.2604 ( 4194 PWs) bands (ev): 2.3860 2.3860 2.5436 2.5436 4.4816 4.4816 4.6051 4.6051 5.2383 5.2383 5.2660 5.2660 5.6463 5.6463 5.7061 5.7061 5.7536 5.7536 5.8846 5.8846 6.1756 6.1756 6.3147 6.3147 6.8674 6.8674 6.9361 6.9361 7.1169 7.1169 7.2186 7.2186 7.4820 7.4820 7.5349 7.5349 7.6198 7.6198 7.7292 7.7292 7.9662 7.9662 8.0855 8.0855 8.2357 8.2357 8.3941 8.3941 8.9469 8.9469 9.0414 9.0414 11.8879 11.8879 11.9816 11.9816 14.9726 14.9726 15.1487 15.1487 15.4182 15.4182 15.6553 15.6553 16.1356 16.1356 16.5258 16.5258 k = 0.0938-0.0000 0.2604 ( 4202 PWs) bands (ev): 2.4119 2.4119 2.5691 2.5691 4.4952 4.4952 4.6171 4.6171 5.2506 5.2506 5.2766 5.2766 5.6409 5.6409 5.7080 5.7080 5.7548 5.7548 5.8860 5.8860 6.1712 6.1712 6.3122 6.3122 6.8620 6.8620 6.9322 6.9322 7.1068 7.1068 7.2162 7.2162 7.4651 7.4651 7.5233 7.5233 7.6103 7.6103 7.7242 7.7242 7.9686 7.9686 8.0826 8.0826 8.2280 8.2280 8.3877 8.3877 9.0090 9.0090 9.1004 9.1004 11.9209 11.9209 12.0151 12.0151 14.8920 14.8920 15.0134 15.0134 15.3610 15.3610 15.6391 15.6391 16.1571 16.1571 16.5473 16.5473 k = 0.1042-0.0000 0.2604 ( 4200 PWs) bands (ev): 2.4408 2.4408 2.5976 2.5976 4.5100 4.5100 4.6302 4.6302 5.2634 5.2634 5.2878 5.2878 5.6355 5.6355 5.7096 5.7096 5.7562 5.7562 5.8872 5.8872 6.1671 6.1671 6.3099 6.3099 6.8558 6.8558 6.9282 6.9282 7.0967 7.0967 7.2133 7.2133 7.4470 7.4470 7.5106 7.5106 7.6016 7.6016 7.7195 7.7195 7.9708 7.9708 8.0783 8.0783 8.2240 8.2240 8.3849 8.3849 9.0727 9.0727 9.1611 9.1611 11.9573 11.9573 12.0522 12.0522 14.7679 14.7679 14.8700 14.8700 15.3299 15.3299 15.6434 15.6434 16.1814 16.1814 16.5717 16.5717 k = 0.1146-0.0000 0.2604 ( 4202 PWs) bands (ev): 2.4726 2.4726 2.6289 2.6289 4.5260 4.5260 4.6442 4.6442 5.2766 5.2766 5.2991 5.2991 5.6301 5.6301 5.7108 5.7108 5.7579 5.7579 5.8881 5.8881 6.1636 6.1636 6.3080 6.3080 6.8486 6.8486 6.9241 6.9241 7.0868 7.0868 7.2099 7.2099 7.4282 7.4282 7.4971 7.4971 7.5937 7.5937 7.7154 7.7154 7.9724 7.9724 8.0730 8.0730 8.2232 8.2232 8.3856 8.3856 9.1378 9.1378 9.2231 9.2231 11.9971 11.9971 12.0927 12.0927 14.6166 14.6166 14.7174 14.7174 15.3221 15.3221 15.6588 15.6588 16.2082 16.2082 16.5990 16.5990 k = 0.1250-0.0000 0.2604 ( 4196 PWs) bands (ev): 2.5073 2.5073 2.6630 2.6630 4.5431 4.5431 4.6592 4.6592 5.2894 5.2894 5.3104 5.3104 5.6250 5.6250 5.7113 5.7113 5.7601 5.7601 5.8884 5.8884 6.1610 6.1610 6.3068 6.3068 6.8405 6.8405 6.9198 6.9198 7.0772 7.0772 7.2060 7.2060 7.4095 7.4095 7.4834 7.4834 7.5869 7.5869 7.7119 7.7119 7.9734 7.9734 8.0669 8.0669 8.2254 8.2254 8.3896 8.3896 9.2038 9.2038 9.2864 9.2864 12.0401 12.0401 12.1365 12.1365 14.4528 14.4528 14.5559 14.5559 15.3291 15.3291 15.6808 15.6808 16.2375 16.2375 16.6287 16.6287 k = 0.1354-0.0000 0.2604 ( 4188 PWs) bands (ev): 2.5449 2.5449 2.6999 2.6999 4.5612 4.5612 4.6750 4.6750 5.3015 5.3015 5.3216 5.3216 5.6204 5.6204 5.7111 5.7111 5.7628 5.7628 5.8882 5.8882 6.1595 6.1595 6.3065 6.3065 6.8316 6.8316 6.9153 6.9153 7.0681 7.0681 7.2015 7.2015 7.3916 7.3916 7.4698 7.4698 7.5811 7.5811 7.7092 7.7092 7.9736 7.9736 8.0602 8.0602 8.2302 8.2302 8.3965 8.3965 9.2707 9.2707 9.3508 9.3508 12.0860 12.0860 12.1834 12.1834 14.2837 14.2837 14.3879 14.3879 15.3454 15.3454 15.7070 15.7070 16.2688 16.2688 16.6606 16.6606 k = 0.1458-0.0000 0.2604 ( 4184 PWs) bands (ev): 2.5852 2.5852 2.7395 2.7395 4.5801 4.5801 4.6915 4.6915 5.3122 5.3122 5.3323 5.3323 5.6165 5.6165 5.7099 5.7099 5.7661 5.7661 5.8873 5.8873 6.1592 6.1592 6.3074 6.3074 6.8218 6.8218 6.9102 6.9102 7.0598 7.0598 7.1965 7.1965 7.3750 7.3750 7.4568 7.4568 7.5766 7.5766 7.7075 7.7075 7.9729 7.9729 8.0531 8.0531 8.2373 8.2373 8.4061 8.4061 9.3382 9.3382 9.4160 9.4160 12.1348 12.1348 12.2333 12.2333 14.1123 14.1123 14.2162 14.2162 15.3677 15.3677 15.7361 15.7361 16.3019 16.3019 16.6940 16.6940 k = 0.1562-0.0000 0.2604 ( 4178 PWs) bands (ev): 2.6283 2.6283 2.7818 2.7818 4.5997 4.5997 4.7086 4.7086 5.3209 5.3209 5.3424 5.3424 5.6137 5.6137 5.7078 5.7078 5.7699 5.7699 5.8857 5.8857 6.1604 6.1604 6.3097 6.3097 6.8112 6.8112 6.9043 6.9043 7.0523 7.0523 7.1910 7.1910 7.3600 7.3600 7.4449 7.4449 7.5734 7.5734 7.7066 7.7066 7.9715 7.9715 8.0456 8.0456 8.2466 8.2466 8.4178 8.4178 9.4063 9.4063 9.4821 9.4821 12.1862 12.1862 12.2860 12.2860 13.9404 13.9404 14.0424 14.0424 15.3941 15.3941 15.7672 15.7672 16.3359 16.3359 16.7275 16.7275 k = 0.1667-0.0000 0.2604 ( 4178 PWs) bands (ev): 2.6740 2.6740 2.8267 2.8267 4.6199 4.6199 4.7262 4.7262 5.3269 5.3269 5.3517 5.3517 5.6121 5.6121 5.7048 5.7048 5.7741 5.7741 5.8833 5.8833 6.1634 6.1634 6.3137 6.3137 6.8000 6.8000 6.8971 6.8971 7.0458 7.0458 7.1853 7.1853 7.3469 7.3469 7.4345 7.4345 7.5718 7.5718 7.7069 7.7069 7.9694 7.9694 8.0379 8.0379 8.2578 8.2578 8.4314 8.4314 9.4747 9.4747 9.5489 9.5489 12.2398 12.2398 12.3414 12.3414 13.7692 13.7692 13.8680 13.8680 15.4235 15.4235 15.7992 15.7992 16.3698 16.3698 16.7558 16.7558 k = 0.1771-0.0000 0.2604 ( 4176 PWs) bands (ev): 2.7224 2.7224 2.8741 2.8741 4.6406 4.6406 4.7441 4.7441 5.3302 5.3302 5.3598 5.3598 5.6118 5.6118 5.7009 5.7009 5.7784 5.7784 5.8801 5.8801 6.1681 6.1681 6.3196 6.3196 6.7882 6.7882 6.8886 6.8886 7.0405 7.0405 7.1796 7.1796 7.3355 7.3355 7.4262 7.4262 7.5720 7.5720 7.7084 7.7084 7.9668 7.9668 8.0301 8.0301 8.2706 8.2706 8.4466 8.4466 9.5433 9.5433 9.6162 9.6162 12.2953 12.2953 12.3994 12.3994 13.5998 13.5998 13.6938 13.6938 15.4550 15.4550 15.8313 15.8313 16.4009 16.4009 16.7539 16.7539 k = 0.1875-0.0000 0.2604 ( 4180 PWs) bands (ev): 2.7733 2.7733 2.9240 2.9240 4.6617 4.6617 4.7621 4.7621 5.3306 5.3306 5.3664 5.3664 5.6126 5.6126 5.6963 5.6963 5.7828 5.7828 5.8764 5.8764 6.1747 6.1747 6.3275 6.3275 6.7758 6.7758 6.8787 6.8787 7.0360 7.0360 7.1745 7.1745 7.3255 7.3255 7.4204 7.4204 7.5742 7.5742 7.7111 7.7111 7.9640 7.9640 8.0223 8.0223 8.2850 8.2850 8.4631 8.4631 9.6120 9.6120 9.6839 9.6839 12.3519 12.3519 12.4596 12.4596 13.4332 13.4332 13.5206 13.5206 15.4877 15.4877 15.8619 15.8619 16.4227 16.4227 16.6649 16.6649 k = 0.1979-0.0000 0.2604 ( 4170 PWs) bands (ev): 2.8267 2.8267 2.9763 2.9763 4.6829 4.6829 4.7803 4.7803 5.3282 5.3282 5.3713 5.3713 5.6144 5.6144 5.6911 5.6911 5.7868 5.7868 5.8721 5.8721 6.1833 6.1833 6.3373 6.3373 6.7629 6.7629 6.8674 6.8674 7.0324 7.0324 7.1704 7.1704 7.3165 7.3165 7.4174 7.4174 7.5786 7.5786 7.7152 7.7152 7.9612 7.9612 8.0144 8.0144 8.3007 8.3007 8.4809 8.4809 9.6807 9.6807 9.7519 9.7519 12.4084 12.4084 12.5219 12.5219 13.2710 13.2710 13.3494 13.3494 15.5205 15.5205 15.8887 15.8887 16.4123 16.4123 16.5455 16.5455 k = 0.2083-0.0000 0.2604 ( 4174 PWs) bands (ev): 2.8824 2.8824 3.0310 3.0310 4.7042 4.7042 4.7983 4.7983 5.3232 5.3232 5.3745 5.3745 5.6165 5.6165 5.6853 5.6853 5.7903 5.7903 5.8674 5.8674 6.1938 6.1938 6.3490 6.3490 6.7494 6.7494 6.8550 6.8550 7.0291 7.0291 7.1677 7.1677 7.3083 7.3083 7.4174 7.4174 7.5854 7.5854 7.7206 7.7206 7.9586 7.9586 8.0068 8.0068 8.3177 8.3177 8.4999 8.4999 9.7493 9.7493 9.8200 9.8200 12.4618 12.4618 12.5857 12.5857 13.1157 13.1157 13.1815 13.1815 15.5514 15.5514 15.9072 15.9072 16.3223 16.3223 16.4679 16.4679 k = 0.2188-0.0000 0.2604 ( 4178 PWs) bands (ev): 2.9405 2.9405 3.0879 3.0879 4.7253 4.7253 4.8161 4.8161 5.3161 5.3161 5.3759 5.3759 5.6186 5.6186 5.6791 5.6791 5.7930 5.7930 5.8627 5.8627 6.2061 6.2061 6.3623 6.3623 6.7353 6.7353 6.8420 6.8420 7.0262 7.0262 7.1668 7.1668 7.3009 7.3009 7.4201 7.4201 7.5947 7.5947 7.7274 7.7274 7.9565 7.9565 7.9996 7.9996 8.3357 8.3357 8.5200 8.5200 9.8176 9.8176 9.8881 9.8881 12.5050 12.5050 12.6499 12.6499 12.9711 12.9711 13.0219 13.0219 15.5769 15.5769 15.9078 15.9078 16.1988 16.1988 16.3827 16.3827 k = 0.2292-0.0000 0.2604 ( 4178 PWs) bands (ev): 3.0009 3.0009 3.1469 3.1469 4.7462 4.7462 4.8334 4.8334 5.3072 5.3072 5.3756 5.3756 5.6202 5.6202 5.6726 5.6726 5.7945 5.7945 5.8582 5.8582 6.2197 6.2197 6.3768 6.3768 6.7209 6.7209 6.8284 6.8284 7.0237 7.0237 7.1674 7.1674 7.2945 7.2945 7.4251 7.4251 7.6066 7.6066 7.7354 7.7354 7.9553 7.9553 7.9931 7.9931 8.3549 8.3549 8.5413 8.5413 9.8855 9.8855 9.9560 9.9560 12.5175 12.5175 12.7085 12.7085 12.8343 12.8343 12.9004 12.9004 15.5881 15.5881 15.8740 15.8740 16.0958 16.0958 16.2704 16.2704 k = 0.2396-0.0000 0.2604 ( 4176 PWs) bands (ev): 3.0633 3.0633 3.2079 3.2079 4.7667 4.7667 4.8502 4.8502 5.2970 5.2970 5.3737 5.3737 5.6208 5.6208 5.6661 5.6661 5.7949 5.7949 5.8542 5.8542 6.2343 6.2343 6.3918 6.3918 6.7061 6.7061 6.8146 6.8146 7.0219 7.0219 7.1690 7.1690 7.2895 7.2895 7.4320 7.4320 7.6210 7.6210 7.7443 7.7443 7.9555 7.9555 7.9876 7.9876 8.3753 8.3753 8.5638 8.5638 9.9529 9.9529 10.0235 10.0235 12.4672 12.4672 12.6573 12.6573 12.7925 12.7925 12.8667 12.8667 15.5654 15.5654 15.8065 15.8065 16.0228 16.0228 16.1536 16.1536 k = 0.2500-0.0000 0.2604 ( 4180 PWs) bands (ev): 3.1278 3.1278 3.2708 3.2708 4.7865 4.7865 4.8663 4.8663 5.2859 5.2859 5.3704 5.3704 5.6202 5.6202 5.6595 5.6595 5.7940 5.7940 5.8510 5.8510 6.2493 6.2493 6.4069 6.4069 6.6911 6.6911 6.8006 6.8006 7.0212 7.0212 7.1710 7.1710 7.2867 7.2867 7.4401 7.4401 7.6376 7.6376 7.7538 7.7538 7.9574 7.9574 7.9838 7.9838 8.3969 8.3969 8.5877 8.5877 10.0197 10.0197 10.0904 10.0904 12.3612 12.3612 12.5054 12.5054 12.8466 12.8466 12.9037 12.9037 15.4866 15.4866 15.7316 15.7316 15.9597 15.9597 16.0451 16.0451 k = 0.2604-0.0000 0.2604 ( 4180 PWs) bands (ev): 3.1941 3.1941 3.3355 3.3355 4.8056 4.8056 4.8815 4.8815 5.2742 5.2742 5.3659 5.3659 5.6182 5.6182 5.6531 5.6531 5.7919 5.7919 5.8485 5.8485 6.2639 6.2639 6.4213 6.4213 6.6764 6.6764 6.7865 6.7865 7.0222 7.0222 7.1725 7.1725 7.2865 7.2865 7.4490 7.4490 7.6559 7.6559 7.7631 7.7631 7.9612 7.9612 7.9833 7.9833 8.4199 8.4199 8.6131 8.6131 10.0857 10.0857 10.1564 10.1564 12.2327 12.2327 12.3505 12.3505 12.9098 12.9098 12.9676 12.9676 15.3640 15.3640 15.6370 15.6370 15.8738 15.8738 15.9784 15.9784 k = 0.2708-0.0000 0.2604 ( 4176 PWs) bands (ev): 3.2623 3.2623 3.4019 3.4019 4.8236 4.8236 4.8956 4.8956 5.2624 5.2624 5.3603 5.3603 5.6148 5.6148 5.6468 5.6468 5.7890 5.7890 5.8468 5.8468 6.2772 6.2772 6.4344 6.4344 6.6621 6.6621 6.7724 6.7724 7.0251 7.0251 7.1729 7.1729 7.2894 7.2894 7.4583 7.4583 7.6750 7.6750 7.7716 7.7716 7.9662 7.9662 7.9881 7.9881 8.4444 8.4444 8.6403 8.6403 10.1506 10.1506 10.2212 10.2212 12.0983 12.0983 12.1979 12.1979 12.9793 12.9793 13.0400 13.0400 15.2225 15.2225 15.5147 15.5147 15.7414 15.7414 15.9712 15.9712 k = 0.2812-0.0000 0.2604 ( 4174 PWs) bands (ev): 3.3320 3.3320 3.4697 3.4697 4.8405 4.8405 4.9084 4.9084 5.2509 5.2509 5.3538 5.3538 5.6102 5.6102 5.6406 5.6406 5.7856 5.7856 5.8457 5.8457 6.2883 6.2883 6.4457 6.4457 6.6487 6.6487 6.7583 6.7583 7.0301 7.0301 7.1721 7.1721 7.2954 7.2954 7.4677 7.4677 7.6937 7.6937 7.7786 7.7786 7.9726 7.9726 8.0003 8.0003 8.4707 8.4707 8.6694 8.6694 10.2144 10.2144 10.2843 10.2843 11.9641 11.9641 12.0485 12.0485 13.0529 13.0529 13.1161 13.1161 15.0742 15.0742 15.3768 15.3768 15.5938 15.5938 15.9621 15.9621 k = 0.2917-0.0000 0.2604 ( 4172 PWs) bands (ev): 3.4033 3.4033 3.5389 3.5389 4.8560 4.8560 4.9198 4.9198 5.2399 5.2399 5.3467 5.3467 5.6045 5.6045 5.6344 5.6344 5.7821 5.7821 5.8452 5.8452 6.2964 6.2964 6.4546 6.4546 6.6364 6.6364 6.7446 6.7446 7.0369 7.0369 7.1702 7.1702 7.3042 7.3042 7.4771 7.4771 7.7106 7.7106 7.7836 7.7836 7.9822 7.9822 8.0198 8.0198 8.4991 8.4991 8.7006 8.7006 10.2768 10.2768 10.3451 10.3451 11.8329 11.8329 11.9030 11.9030 13.1292 13.1292 13.1943 13.1943 14.9242 14.9242 15.2317 15.2317 15.4423 15.4423 15.8735 15.8735 k = 0.3021-0.0000 0.2604 ( 4170 PWs) bands (ev): 3.4758 3.4758 3.6093 3.6093 4.8699 4.8699 4.9296 4.9296 5.2298 5.2298 5.3393 5.3393 5.5979 5.5979 5.6282 5.6282 5.7787 5.7787 5.8451 5.8451 6.3006 6.3006 6.4607 6.4607 6.6255 6.6255 6.7315 6.7315 7.0450 7.0450 7.1677 7.1677 7.3152 7.3152 7.4863 7.4863 7.7240 7.7240 7.7865 7.7865 7.9974 7.9974 8.0458 8.0458 8.5297 8.5297 8.7342 8.7342 10.3376 10.3376 10.4030 10.4030 11.7063 11.7063 11.7619 11.7619 13.2071 13.2071 13.2739 13.2739 14.7747 14.7747 15.0837 15.0837 15.2916 15.2916 15.7304 15.7304 k = 0.3125-0.0000 0.2604 ( 4170 PWs) bands (ev): 3.5495 3.5495 3.6807 3.6807 4.8820 4.8820 4.9376 4.9376 5.2210 5.2210 5.3316 5.3316 5.5907 5.5907 5.6221 5.6221 5.7757 5.7757 5.8455 5.8455 6.3005 6.3005 6.4634 6.4634 6.6158 6.6158 6.7197 6.7197 7.0539 7.0539 7.1649 7.1649 7.3280 7.3280 7.4952 7.4952 7.7331 7.7331 7.7872 7.7872 8.0196 8.0196 8.0776 8.0776 8.5628 8.5628 8.7703 8.7703 10.3964 10.3964 10.4567 10.4567 11.5855 11.5855 11.6258 11.6258 13.2857 13.2857 13.3544 13.3544 14.6275 14.6275 14.9352 14.9352 15.1439 15.1439 15.5769 15.5769 k = 0.3229-0.0000 0.2604 ( 4172 PWs) bands (ev): 3.6240 3.6240 3.7528 3.7528 4.8922 4.8922 4.9437 4.9437 5.2136 5.2136 5.3240 5.3240 5.5829 5.5829 5.6159 5.6159 5.7732 5.7732 5.8463 5.8463 6.2960 6.2960 6.4625 6.4625 6.6071 6.6071 6.7099 6.7099 7.0626 7.0626 7.1622 7.1622 7.3421 7.3421 7.5037 7.5037 7.7378 7.7378 7.7860 7.7860 8.0490 8.0490 8.1145 8.1145 8.5985 8.5985 8.8089 8.8089 10.4527 10.4527 10.5047 10.5047 11.4703 11.4703 11.4971 11.4971 13.3638 13.3638 13.4353 13.4353 14.4836 14.4836 14.7884 14.7884 15.0006 15.0006 15.4230 15.4230 k = 0.3333-0.0000 0.2604 ( 4174 PWs) bands (ev): 3.6993 3.6993 3.8254 3.8254 4.9002 4.9002 4.9479 4.9479 5.2078 5.2078 5.3168 5.3168 5.5745 5.5745 5.6099 5.6099 5.7714 5.7714 5.8476 5.8476 6.2871 6.2871 6.4575 6.4575 6.5991 6.5991 6.7025 6.7025 7.0702 7.0702 7.1599 7.1599 7.3573 7.3573 7.5119 7.5119 7.7386 7.7386 7.7828 7.7828 8.0852 8.0852 8.1561 8.1561 8.6370 8.6370 8.8500 8.8500 10.5062 10.5062 10.5450 10.5450 11.3552 11.3552 11.3839 11.3839 13.4399 13.4399 13.5157 13.5157 14.3444 14.3444 14.6459 14.6459 14.8624 14.8624 15.2720 15.2720 k = 0.3438-0.0000 0.2604 ( 4174 PWs) bands (ev): 3.7750 3.7750 3.8983 3.8983 4.9058 4.9058 4.9503 4.9503 5.2037 5.2037 5.3102 5.3102 5.5654 5.5654 5.6039 5.6039 5.7703 5.7703 5.8495 5.8495 6.2740 6.2740 6.4483 6.4483 6.5916 6.5916 6.6980 6.6980 7.0759 7.0759 7.1584 7.1584 7.3731 7.3731 7.5199 7.5199 7.7366 7.7366 7.7781 7.7781 8.1271 8.1271 8.2016 8.2016 8.6783 8.6783 8.8936 8.8936 10.5551 10.5551 10.5753 10.5753 11.2378 11.2378 11.2925 11.2925 13.5115 13.5115 13.5943 13.5943 14.2117 14.2117 14.5108 14.5108 14.7300 14.7300 15.1254 15.1254 k = 0.3542-0.0000 0.2604 ( 4176 PWs) bands (ev): 3.8509 3.8509 3.9713 3.9713 4.9088 4.9088 4.9511 4.9511 5.2012 5.2012 5.3046 5.3046 5.5558 5.5558 5.5979 5.5979 5.7701 5.7701 5.8520 5.8520 6.2574 6.2574 6.4348 6.4348 6.5848 6.5848 6.6959 6.6959 7.0791 7.0791 7.1574 7.1574 7.3893 7.3893 7.5276 7.5276 7.7324 7.7324 7.7721 7.7721 8.1737 8.1737 8.2506 8.2506 8.7220 8.7220 8.9391 8.9391 10.5843 10.5843 10.6062 10.6062 11.1245 11.1245 11.2208 11.2208 13.5742 13.5742 13.6681 13.6681 14.0887 14.0887 14.3873 14.3873 14.6044 14.6044 14.9846 14.9846 k = 0.3646-0.0000 0.2604 ( 4166 PWs) bands (ev): 3.9265 3.9265 4.0440 4.0440 4.9090 4.9090 4.9507 4.9507 5.2002 5.2002 5.3003 5.3003 5.5454 5.5454 5.5920 5.5920 5.7707 5.7707 5.8554 5.8554 6.2375 6.2375 6.4171 6.4171 6.5791 6.5791 6.6956 6.6956 7.0797 7.0797 7.1569 7.1569 7.4058 7.4058 7.5351 7.5351 7.7268 7.7268 7.7650 7.7650 8.2241 8.2241 8.3026 8.3026 8.7680 8.7680 8.9861 8.9861 10.5814 10.5814 10.6451 10.6451 11.0186 11.0186 11.1702 11.1702 13.6202 13.6202 13.7281 13.7281 13.9846 13.9846 14.2818 14.2818 14.4881 14.4881 14.8511 14.8511 k = 0.3750-0.0000 0.2604 ( 4170 PWs) bands (ev): 4.0017 4.0017 4.1161 4.1161 4.9063 4.9063 4.9493 4.9493 5.2002 5.2002 5.2978 5.2978 5.5343 5.5343 5.5860 5.5860 5.7722 5.7722 5.8596 5.8596 6.2150 6.2150 6.3954 6.3954 6.5750 6.5750 6.6964 6.6964 7.0779 7.0779 7.1562 7.1562 7.4224 7.4224 7.5426 7.5426 7.7201 7.7201 7.7573 7.7573 8.2776 8.2776 8.3571 8.3571 8.8155 8.8155 9.0336 9.0336 10.5584 10.5584 10.6763 10.6763 10.9241 10.9241 11.1404 11.1404 13.6374 13.6374 13.7427 13.7427 13.9308 13.9308 14.1992 14.1992 14.3879 14.3879 14.7276 14.7276 k = 0.3854-0.0000 0.2604 ( 4170 PWs) bands (ev): 4.0759 4.0759 4.1873 4.1873 4.9008 4.9008 4.9472 4.9472 5.2011 5.2011 5.2972 5.2972 5.5224 5.5224 5.5797 5.5797 5.7746 5.7746 5.8647 5.8647 6.1902 6.1902 6.3702 6.3702 6.5727 6.5727 6.6976 6.6976 7.0742 7.0742 7.1548 7.1548 7.4387 7.4387 7.5502 7.5502 7.7126 7.7126 7.7491 7.7491 8.3335 8.3335 8.4139 8.4139 8.8636 8.8636 9.0806 9.0806 10.5200 10.5200 10.6890 10.6890 10.8510 10.8510 11.1275 11.1275 13.6152 13.6152 13.6898 13.6898 13.9479 13.9479 14.1314 14.1314 14.3219 14.3219 14.6184 14.6184 k = 0.3958-0.0000 0.2604 ( 4170 PWs) bands (ev): 4.1488 4.1488 4.2573 4.2573 4.8928 4.8928 4.9442 4.9442 5.2025 5.2025 5.2989 5.2989 5.5095 5.5095 5.5730 5.5730 5.7779 5.7779 5.8710 5.8710 6.1637 6.1637 6.3420 6.3420 6.5722 6.5722 6.6987 6.6987 7.0694 7.0694 7.1522 7.1522 7.4548 7.4548 7.5579 7.5579 7.7044 7.7044 7.7405 7.7405 8.3914 8.3914 8.4725 8.4725 8.9110 8.9110 9.1254 9.1254 10.4726 10.4726 10.6637 10.6637 10.8193 10.8193 11.1248 11.1248 13.5584 13.5584 13.6175 13.6175 13.9798 13.9798 14.0548 14.0548 14.3108 14.3108 14.5324 14.5324 k = 0.4062-0.0000 0.2604 ( 4164 PWs) bands (ev): 4.2197 4.2197 4.3256 4.3256 4.8825 4.8825 4.9402 4.9402 5.2045 5.2045 5.3030 5.3030 5.4956 5.4956 5.5659 5.5659 5.7823 5.7823 5.8784 5.8784 6.1358 6.1358 6.3114 6.3114 6.5736 6.5736 6.6993 6.6993 7.0641 7.0641 7.1481 7.1481 7.4706 7.4706 7.5658 7.5658 7.6957 7.6957 7.7318 7.7318 8.4507 8.4507 8.5325 8.5325 8.9563 8.9563 9.1661 9.1661 10.4225 10.4225 10.6087 10.6087 10.8214 10.8214 11.1262 11.1262 13.4887 13.4887 13.5441 13.5441 13.9619 13.9619 13.9930 13.9930 14.3442 14.3442 14.4831 14.4831 k = 0.4167-0.0000 0.2604 ( 4162 PWs) bands (ev): 4.2881 4.2881 4.3919 4.3919 4.8703 4.8703 4.9350 4.9350 5.2071 5.2071 5.3092 5.3092 5.4807 5.4807 5.5580 5.5580 5.7879 5.7879 5.8871 5.8871 6.1071 6.1071 6.2789 6.2789 6.5768 6.5768 6.6988 6.6988 7.0589 7.0589 7.1426 7.1426 7.4859 7.4859 7.5740 7.5740 7.6866 7.6866 7.7228 7.7228 8.5110 8.5110 8.5937 8.5937 8.9974 8.9974 9.2007 9.2007 10.3750 10.3750 10.5502 10.5502 10.8321 10.8321 11.1267 11.1267 13.4226 13.4226 13.4733 13.4733 13.8713 13.8713 13.9631 13.9631 14.4004 14.4004 14.4797 14.4797 k = 0.4271-0.0000 0.2604 ( 4154 PWs) bands (ev): 4.3536 4.3536 4.4558 4.4558 4.8563 4.8563 4.9282 4.9282 5.2107 5.2107 5.3173 5.3173 5.4651 5.4651 5.5493 5.5493 5.7949 5.7949 5.8972 5.8972 6.0779 6.0779 6.2451 6.2451 6.5816 6.5816 6.6971 6.6971 7.0543 7.0543 7.1355 7.1355 7.5009 7.5009 7.5823 7.5823 7.6771 7.6771 7.7139 7.7139 8.5719 8.5719 8.6557 8.6557 9.0322 9.0322 9.2267 9.2267 10.3338 10.3338 10.4985 10.4985 10.8422 10.8422 11.1230 11.1230 13.3668 13.3668 13.4097 13.4097 13.7811 13.7811 13.9029 13.9029 14.4668 14.4668 14.5138 14.5138 k = 0.4375-0.0000 0.2604 ( 4152 PWs) bands (ev): 4.4154 4.4154 4.5168 4.5168 4.8406 4.8406 4.9196 4.9196 5.2157 5.2157 5.3264 5.3264 5.4494 5.4494 5.5395 5.5395 5.8033 5.8033 5.9088 5.9088 6.0487 6.0487 6.2106 6.2106 6.5879 6.5879 6.6940 6.6940 7.0510 7.0510 7.1271 7.1271 7.5154 7.5154 7.5908 7.5908 7.6673 7.6673 7.7048 7.7048 8.6328 8.6328 8.7180 8.7180 9.0586 9.0586 9.2420 9.2420 10.3020 10.3020 10.4565 10.4565 10.8501 10.8501 11.1130 11.1130 13.3239 13.3239 13.3568 13.3568 13.6953 13.6953 13.8264 13.8264 14.5368 14.5368 14.5682 14.5682 k = 0.4479-0.0000 0.2604 ( 4152 PWs) bands (ev): 4.4731 4.4731 4.5744 4.5744 4.8232 4.8232 4.9087 4.9087 5.2225 5.2225 5.3348 5.3348 5.4348 5.4348 5.5286 5.5286 5.8133 5.8133 5.9220 5.9220 6.0200 6.0200 6.1761 6.1761 6.5956 6.5956 6.6893 6.6893 7.0493 7.0493 7.1178 7.1178 7.5295 7.5295 7.5992 7.5992 7.6574 7.6574 7.6958 7.6958 8.6931 8.6931 8.7801 8.7801 9.0747 9.0747 9.2451 9.2451 10.2812 10.2812 10.4242 10.4242 10.8565 10.8565 11.0959 11.0959 13.2946 13.2946 13.3176 13.3176 13.6153 13.6153 13.7445 13.7445 14.6061 14.6061 14.6300 14.6300 k = 0.4583-0.0000 0.2604 ( 4148 PWs) bands (ev): 4.5263 4.5263 4.6278 4.6278 4.8041 4.8041 4.8952 4.8952 5.2314 5.2314 5.3394 5.3394 5.4245 5.4245 5.5164 5.5164 5.8252 5.8252 5.9367 5.9367 5.9925 5.9925 6.1420 6.1420 6.6044 6.6044 6.6831 6.6831 7.0494 7.0494 7.1078 7.1078 7.5433 7.5433 7.6072 7.6072 7.6477 7.6477 7.6867 7.6867 8.7523 8.7523 8.8410 8.8410 9.0796 9.0796 9.2356 9.2356 10.2723 10.2723 10.3998 10.3998 10.8634 10.8634 11.0718 11.0718 13.2771 13.2771 13.2950 13.2950 13.5423 13.5423 13.6634 13.6634 14.6715 14.6715 14.6908 14.6908 k = 0.4688-0.0000 0.2604 ( 4144 PWs) bands (ev): 4.5748 4.5748 4.6760 4.6760 4.7838 4.7838 4.8785 4.8785 5.2427 5.2427 5.3362 5.3362 5.4226 5.4226 5.5029 5.5029 5.8389 5.8389 5.9506 5.9506 5.9690 5.9690 6.1091 6.1091 6.6141 6.6141 6.6754 6.6754 7.0515 7.0515 7.0975 7.0975 7.5567 7.5567 7.6132 7.6132 7.6397 7.6397 7.6777 7.6777 8.8095 8.8095 8.8991 8.8991 9.0742 9.0742 9.2142 9.2142 10.2744 10.2744 10.3803 10.3803 10.8735 10.8735 11.0419 11.0419 13.2686 13.2686 13.2913 13.2913 13.4780 13.4780 13.5866 13.5866 14.7295 14.7295 14.7448 14.7448 k = 0.4792-0.0000 0.2604 ( 4142 PWs) bands (ev): 4.6184 4.6184 4.7139 4.7139 4.7663 4.7663 4.8582 4.8582 5.2564 5.2564 5.3244 5.3244 5.4296 5.4296 5.4884 5.4884 5.8548 5.8548 5.9372 5.9372 5.9764 5.9764 6.0777 6.0777 6.6245 6.6245 6.6665 6.6665 7.0556 7.0556 7.0874 7.0874 7.5697 7.5697 7.6129 7.6129 7.6378 7.6378 7.6686 7.6686 8.8634 8.8634 8.9490 8.9490 9.0636 9.0636 9.1827 9.1827 10.2856 10.2856 10.3623 10.3623 10.8890 10.8890 11.0082 11.0082 13.2704 13.2704 13.3015 13.3015 13.4256 13.4256 13.5167 13.5167 14.7761 14.7761 14.7869 14.7869 k = 0.4896-0.0000 0.2604 ( 4140 PWs) bands (ev): 4.6571 4.6571 4.7167 4.7167 4.7760 4.7760 4.8339 4.8339 5.2723 5.2723 5.3079 5.3079 5.4422 5.4422 5.4729 5.4729 5.8726 5.8726 5.9142 5.9142 5.9974 5.9974 6.0485 6.0485 6.6353 6.6353 6.6566 6.6566 7.0615 7.0615 7.0778 7.0778 7.5822 7.5822 7.6050 7.6050 7.6431 7.6431 7.6597 7.6597 8.9123 8.9123 8.9718 8.9718 9.0674 9.0674 9.1435 9.1435 10.3029 10.3029 10.3433 10.3433 10.9113 10.9113 10.9732 10.9732 13.2829 13.2829 13.3125 13.3125 13.3961 13.3961 13.4563 13.4563 14.8074 14.8074 14.8131 14.8131 k = 0.5000-0.0000 0.2604 ( 4136 PWs) bands (ev): 4.6907 4.6907 4.6907 4.6907 4.8056 4.8056 4.8056 4.8056 5.2898 5.2898 5.2898 5.2898 5.4572 5.4572 5.4572 5.4572 5.8925 5.8925 5.8925 5.8925 6.0216 6.0216 6.0216 6.0216 6.6461 6.6461 6.6461 6.6461 7.0690 7.0690 7.0690 7.0690 7.5942 7.5942 7.5942 7.5942 7.6510 7.6510 7.6510 7.6510 8.9523 8.9523 8.9523 8.9523 9.1011 9.1011 9.1011 9.1011 10.3231 10.3231 10.3231 10.3231 10.9400 10.9400 10.9400 10.9400 13.3022 13.3022 13.3022 13.3022 13.4106 13.4106 13.4106 13.4106 14.8202 14.8202 14.8202 14.8202 Writing output data file AlAu.save init_run : 3.11s CPU 13.46s WALL ( 1 calls) electrons : 1330.10s CPU 1340.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 1330.08s CPU 1340.01s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.09s CPU 0.63s WALL ( 1 calls) newd : 0.58s CPU 0.75s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 305 calls) cegterg : 1270.70s CPU 1278.04s WALL ( 704 calls) Called by sum_band: Called by *egterg: h_psi : 525.89s CPU 535.45s WALL ( 12757 calls) s_psi : 67.64s CPU 67.87s WALL ( 12757 calls) g_psi : 1.22s CPU 1.20s WALL ( 11748 calls) cdiaghg : 501.38s CPU 498.90s WALL ( 12053 calls) cegterg:over : 115.65s CPU 113.02s WALL ( 11748 calls) cegterg:upda : 27.85s CPU 30.98s WALL ( 11748 calls) cegterg:last : 25.01s CPU 25.91s WALL ( 2552 calls) Called by h_psi: h_psi:vloc : 395.91s CPU 403.12s WALL ( 12757 calls) h_psi:vnl : 129.51s CPU 131.12s WALL ( 12757 calls) add_vuspsi : 48.96s CPU 52.68s WALL ( 12757 calls) General routines calbec : 80.50s CPU 78.30s WALL ( 12757 calls) fft : 0.12s CPU 1.25s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 376.70s CPU 379.76s WALL ( 2069808 calls) interpolate : 0.03s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 1.28s WALL ( 610 calls) Parallel routines fft_scatter : 230.50s CPU 228.23s WALL ( 2069831 calls) PWSCF : 23m11.33s CPU 26m24.64s WALL This run was terminated on: 1:26:39 22May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=