Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:37:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 27 8 3718 914 151 Max 71 28 9 3722 942 154 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: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E 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 0.3355455), 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 0.5109537), 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 0.25 Mb ( 238, 68) NL pseudopotentials 0.49 Mb ( 119, 272) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3719) G-vector shells 0.03 Mb ( 3574) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 238, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.56 Mb ( 272, 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 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.8 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 13.3 secs Computing kpt #: 11 total cpu time spent up to now is 14.4 secs Computing kpt #: 12 total cpu time spent up to now is 15.6 secs Computing kpt #: 13 total cpu time spent up to now is 16.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.8 secs Computing kpt #: 15 total cpu time spent up to now is 18.9 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.0 secs Computing kpt #: 18 total cpu time spent up to now is 22.0 secs Computing kpt #: 19 total cpu time spent up to now is 23.0 secs Computing kpt #: 20 total cpu time spent up to now is 24.0 secs Computing kpt #: 21 total cpu time spent up to now is 25.0 secs Computing kpt #: 22 total cpu time spent up to now is 25.9 secs Computing kpt #: 23 total cpu time spent up to now is 26.8 secs Computing kpt #: 24 total cpu time spent up to now is 27.7 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 29.4 secs Computing kpt #: 27 total cpu time spent up to now is 30.3 secs Computing kpt #: 28 total cpu time spent up to now is 31.2 secs Computing kpt #: 29 total cpu time spent up to now is 32.1 secs Computing kpt #: 30 total cpu time spent up to now is 33.1 secs Computing kpt #: 31 total cpu time spent up to now is 34.1 secs Computing kpt #: 32 total cpu time spent up to now is 35.1 secs Computing kpt #: 33 total cpu time spent up to now is 36.1 secs Computing kpt #: 34 total cpu time spent up to now is 37.2 secs Computing kpt #: 35 total cpu time spent up to now is 38.2 secs Computing kpt #: 36 total cpu time spent up to now is 39.3 secs Computing kpt #: 37 total cpu time spent up to now is 40.4 secs Computing kpt #: 38 total cpu time spent up to now is 41.4 secs Computing kpt #: 39 total cpu time spent up to now is 42.5 secs Computing kpt #: 40 total cpu time spent up to now is 43.5 secs Computing kpt #: 41 total cpu time spent up to now is 44.4 secs Computing kpt #: 42 total cpu time spent up to now is 45.3 secs Computing kpt #: 43 total cpu time spent up to now is 46.4 secs Computing kpt #: 44 total cpu time spent up to now is 47.4 secs Computing kpt #: 45 total cpu time spent up to now is 48.4 secs Computing kpt #: 46 total cpu time spent up to now is 49.4 secs Computing kpt #: 47 total cpu time spent up to now is 50.4 secs Computing kpt #: 48 total cpu time spent up to now is 51.5 secs Computing kpt #: 49 total cpu time spent up to now is 52.6 secs Computing kpt #: 50 total cpu time spent up to now is 53.7 secs Computing kpt #: 51 total cpu time spent up to now is 55.5 secs Computing kpt #: 52 total cpu time spent up to now is 57.4 secs Computing kpt #: 53 total cpu time spent up to now is 59.4 secs Computing kpt #: 54 total cpu time spent up to now is 61.0 secs Computing kpt #: 55 total cpu time spent up to now is 62.9 secs Computing kpt #: 56 total cpu time spent up to now is 64.6 secs Computing kpt #: 57 total cpu time spent up to now is 66.2 secs Computing kpt #: 58 total cpu time spent up to now is 67.9 secs Computing kpt #: 59 total cpu time spent up to now is 69.5 secs Computing kpt #: 60 total cpu time spent up to now is 70.7 secs Computing kpt #: 61 total cpu time spent up to now is 71.8 secs Computing kpt #: 62 total cpu time spent up to now is 72.9 secs Computing kpt #: 63 total cpu time spent up to now is 74.0 secs Computing kpt #: 64 total cpu time spent up to now is 75.1 secs Computing kpt #: 65 total cpu time spent up to now is 76.1 secs Computing kpt #: 66 total cpu time spent up to now is 77.1 secs Computing kpt #: 67 total cpu time spent up to now is 78.2 secs Computing kpt #: 68 total cpu time spent up to now is 79.2 secs Computing kpt #: 69 total cpu time spent up to now is 80.2 secs Computing kpt #: 70 total cpu time spent up to now is 81.2 secs Computing kpt #: 71 total cpu time spent up to now is 82.3 secs Computing kpt #: 72 total cpu time spent up to now is 83.3 secs Computing kpt #: 73 total cpu time spent up to now is 84.3 secs Computing kpt #: 74 total cpu time spent up to now is 85.3 secs Computing kpt #: 75 total cpu time spent up to now is 86.3 secs Computing kpt #: 76 total cpu time spent up to now is 87.3 secs Computing kpt #: 77 total cpu time spent up to now is 88.3 secs Computing kpt #: 78 total cpu time spent up to now is 89.3 secs Computing kpt #: 79 total cpu time spent up to now is 90.3 secs Computing kpt #: 80 total cpu time spent up to now is 91.3 secs Computing kpt #: 81 total cpu time spent up to now is 92.3 secs Computing kpt #: 82 total cpu time spent up to now is 93.2 secs Computing kpt #: 83 total cpu time spent up to now is 94.2 secs Computing kpt #: 84 total cpu time spent up to now is 95.1 secs Computing kpt #: 85 total cpu time spent up to now is 96.1 secs Computing kpt #: 86 total cpu time spent up to now is 97.1 secs Computing kpt #: 87 total cpu time spent up to now is 98.1 secs Computing kpt #: 88 total cpu time spent up to now is 99.1 secs Computing kpt #: 89 total cpu time spent up to now is 100.1 secs Computing kpt #: 90 total cpu time spent up to now is 101.1 secs Computing kpt #: 91 total cpu time spent up to now is 102.1 secs Computing kpt #: 92 total cpu time spent up to now is 103.1 secs Computing kpt #: 93 total cpu time spent up to now is 104.1 secs Computing kpt #: 94 total cpu time spent up to now is 105.1 secs Computing kpt #: 95 total cpu time spent up to now is 106.1 secs Computing kpt #: 96 total cpu time spent up to now is 107.1 secs Computing kpt #: 97 total cpu time spent up to now is 108.1 secs Computing kpt #: 98 total cpu time spent up to now is 109.1 secs Computing kpt #: 99 total cpu time spent up to now is 110.2 secs Computing kpt #: 100 total cpu time spent up to now is 111.3 secs Computing kpt #: 101 total cpu time spent up to now is 112.3 secs Computing kpt #: 102 total cpu time spent up to now is 113.4 secs Computing kpt #: 103 total cpu time spent up to now is 114.5 secs Computing kpt #: 104 total cpu time spent up to now is 115.6 secs Computing kpt #: 105 total cpu time spent up to now is 116.6 secs Computing kpt #: 106 total cpu time spent up to now is 117.7 secs Computing kpt #: 107 total cpu time spent up to now is 118.9 secs Computing kpt #: 108 total cpu time spent up to now is 120.0 secs Computing kpt #: 109 total cpu time spent up to now is 121.1 secs Computing kpt #: 110 total cpu time spent up to now is 122.2 secs Computing kpt #: 111 total cpu time spent up to now is 123.3 secs Computing kpt #: 112 total cpu time spent up to now is 124.4 secs Computing kpt #: 113 total cpu time spent up to now is 125.4 secs Computing kpt #: 114 total cpu time spent up to now is 126.3 secs Computing kpt #: 115 total cpu time spent up to now is 127.3 secs Computing kpt #: 116 total cpu time spent up to now is 128.2 secs Computing kpt #: 117 total cpu time spent up to now is 129.1 secs Computing kpt #: 118 total cpu time spent up to now is 130.0 secs Computing kpt #: 119 total cpu time spent up to now is 131.0 secs Computing kpt #: 120 total cpu time spent up to now is 131.9 secs Computing kpt #: 121 total cpu time spent up to now is 132.8 secs Computing kpt #: 122 total cpu time spent up to now is 133.8 secs Computing kpt #: 123 total cpu time spent up to now is 134.7 secs Computing kpt #: 124 total cpu time spent up to now is 135.6 secs Computing kpt #: 125 total cpu time spent up to now is 136.5 secs Computing kpt #: 126 total cpu time spent up to now is 137.4 secs Computing kpt #: 127 total cpu time spent up to now is 138.3 secs Computing kpt #: 128 total cpu time spent up to now is 139.2 secs Computing kpt #: 129 total cpu time spent up to now is 140.1 secs Computing kpt #: 130 total cpu time spent up to now is 141.0 secs Computing kpt #: 131 total cpu time spent up to now is 141.8 secs Computing kpt #: 132 total cpu time spent up to now is 142.7 secs Computing kpt #: 133 total cpu time spent up to now is 143.6 secs Computing kpt #: 134 total cpu time spent up to now is 144.5 secs Computing kpt #: 135 total cpu time spent up to now is 145.4 secs Computing kpt #: 136 total cpu time spent up to now is 146.3 secs Computing kpt #: 137 total cpu time spent up to now is 147.2 secs Computing kpt #: 138 total cpu time spent up to now is 148.1 secs Computing kpt #: 139 total cpu time spent up to now is 149.0 secs Computing kpt #: 140 total cpu time spent up to now is 150.0 secs Computing kpt #: 141 total cpu time spent up to now is 150.9 secs Computing kpt #: 142 total cpu time spent up to now is 151.8 secs Computing kpt #: 143 total cpu time spent up to now is 152.7 secs Computing kpt #: 144 total cpu time spent up to now is 153.6 secs Computing kpt #: 145 total cpu time spent up to now is 154.5 secs Computing kpt #: 146 total cpu time spent up to now is 155.4 secs Computing kpt #: 147 total cpu time spent up to now is 156.3 secs Computing kpt #: 148 total cpu time spent up to now is 157.2 secs Computing kpt #: 149 total cpu time spent up to now is 158.1 secs Computing kpt #: 150 total cpu time spent up to now is 159.1 secs Computing kpt #: 151 total cpu time spent up to now is 160.2 secs Computing kpt #: 152 total cpu time spent up to now is 161.2 secs Computing kpt #: 153 total cpu time spent up to now is 162.2 secs Computing kpt #: 154 total cpu time spent up to now is 163.3 secs Computing kpt #: 155 total cpu time spent up to now is 164.6 secs Computing kpt #: 156 total cpu time spent up to now is 165.7 secs Computing kpt #: 157 total cpu time spent up to now is 166.8 secs Computing kpt #: 158 total cpu time spent up to now is 167.9 secs Computing kpt #: 159 total cpu time spent up to now is 169.0 secs Computing kpt #: 160 total cpu time spent up to now is 170.1 secs Computing kpt #: 161 total cpu time spent up to now is 171.2 secs Computing kpt #: 162 total cpu time spent up to now is 172.3 secs Computing kpt #: 163 total cpu time spent up to now is 173.4 secs Computing kpt #: 164 total cpu time spent up to now is 174.5 secs Computing kpt #: 165 total cpu time spent up to now is 175.5 secs Computing kpt #: 166 total cpu time spent up to now is 176.6 secs Computing kpt #: 167 total cpu time spent up to now is 177.6 secs Computing kpt #: 168 total cpu time spent up to now is 178.6 secs Computing kpt #: 169 total cpu time spent up to now is 179.7 secs Computing kpt #: 170 total cpu time spent up to now is 180.7 secs Computing kpt #: 171 total cpu time spent up to now is 181.6 secs Computing kpt #: 172 total cpu time spent up to now is 182.6 secs Computing kpt #: 173 total cpu time spent up to now is 183.7 secs Computing kpt #: 174 total cpu time spent up to now is 184.6 secs Computing kpt #: 175 total cpu time spent up to now is 185.6 secs Computing kpt #: 176 total cpu time spent up to now is 186.7 secs Computing kpt #: 177 total cpu time spent up to now is 187.7 secs Computing kpt #: 178 total cpu time spent up to now is 188.7 secs Computing kpt #: 179 total cpu time spent up to now is 189.7 secs Computing kpt #: 180 total cpu time spent up to now is 190.7 secs Computing kpt #: 181 total cpu time spent up to now is 191.8 secs Computing kpt #: 182 total cpu time spent up to now is 192.8 secs Computing kpt #: 183 total cpu time spent up to now is 193.9 secs Computing kpt #: 184 total cpu time spent up to now is 195.5 secs Computing kpt #: 185 total cpu time spent up to now is 202.2 secs Computing kpt #: 186 total cpu time spent up to now is 203.8 secs Computing kpt #: 187 total cpu time spent up to now is 205.2 secs Computing kpt #: 188 total cpu time spent up to now is 206.4 secs Computing kpt #: 189 total cpu time spent up to now is 207.5 secs Computing kpt #: 190 total cpu time spent up to now is 208.5 secs Computing kpt #: 191 total cpu time spent up to now is 209.6 secs Computing kpt #: 192 total cpu time spent up to now is 210.6 secs Computing kpt #: 193 total cpu time spent up to now is 211.6 secs Computing kpt #: 194 total cpu time spent up to now is 212.6 secs Computing kpt #: 195 total cpu time spent up to now is 213.6 secs Computing kpt #: 196 total cpu time spent up to now is 214.6 secs Computing kpt #: 197 total cpu time spent up to now is 215.6 secs Computing kpt #: 198 total cpu time spent up to now is 216.6 secs Computing kpt #: 199 total cpu time spent up to now is 217.7 secs Computing kpt #: 200 total cpu time spent up to now is 218.7 secs Computing kpt #: 201 total cpu time spent up to now is 219.7 secs Computing kpt #: 202 total cpu time spent up to now is 220.8 secs Computing kpt #: 203 total cpu time spent up to now is 241.2 secs Computing kpt #: 204 total cpu time spent up to now is 250.7 secs Computing kpt #: 205 total cpu time spent up to now is 252.4 secs Computing kpt #: 206 total cpu time spent up to now is 253.5 secs Computing kpt #: 207 total cpu time spent up to now is 254.6 secs Computing kpt #: 208 total cpu time spent up to now is 255.7 secs Computing kpt #: 209 total cpu time spent up to now is 256.7 secs Computing kpt #: 210 total cpu time spent up to now is 257.7 secs Computing kpt #: 211 total cpu time spent up to now is 258.7 secs Computing kpt #: 212 total cpu time spent up to now is 259.7 secs Computing kpt #: 213 total cpu time spent up to now is 260.7 secs Computing kpt #: 214 total cpu time spent up to now is 261.7 secs Computing kpt #: 215 total cpu time spent up to now is 262.7 secs Computing kpt #: 216 total cpu time spent up to now is 263.5 secs Computing kpt #: 217 total cpu time spent up to now is 264.4 secs Computing kpt #: 218 total cpu time spent up to now is 265.3 secs Computing kpt #: 219 total cpu time spent up to now is 266.2 secs Computing kpt #: 220 total cpu time spent up to now is 267.1 secs Computing kpt #: 221 total cpu time spent up to now is 268.2 secs Computing kpt #: 222 total cpu time spent up to now is 269.2 secs Computing kpt #: 223 total cpu time spent up to now is 270.1 secs Computing kpt #: 224 total cpu time spent up to now is 271.0 secs Computing kpt #: 225 total cpu time spent up to now is 271.9 secs Computing kpt #: 226 total cpu time spent up to now is 272.8 secs Computing kpt #: 227 total cpu time spent up to now is 273.8 secs Computing kpt #: 228 total cpu time spent up to now is 274.7 secs Computing kpt #: 229 total cpu time spent up to now is 275.6 secs Computing kpt #: 230 total cpu time spent up to now is 276.5 secs Computing kpt #: 231 total cpu time spent up to now is 277.4 secs Computing kpt #: 232 total cpu time spent up to now is 278.3 secs Computing kpt #: 233 total cpu time spent up to now is 279.2 secs Computing kpt #: 234 total cpu time spent up to now is 280.1 secs Computing kpt #: 235 total cpu time spent up to now is 280.9 secs Computing kpt #: 236 total cpu time spent up to now is 281.8 secs Computing kpt #: 237 total cpu time spent up to now is 282.6 secs Computing kpt #: 238 total cpu time spent up to now is 283.5 secs Computing kpt #: 239 total cpu time spent up to now is 284.3 secs Computing kpt #: 240 total cpu time spent up to now is 285.1 secs Computing kpt #: 241 total cpu time spent up to now is 286.0 secs Computing kpt #: 242 total cpu time spent up to now is 286.8 secs Computing kpt #: 243 total cpu time spent up to now is 287.7 secs Computing kpt #: 244 total cpu time spent up to now is 288.6 secs Computing kpt #: 245 total cpu time spent up to now is 289.5 secs Computing kpt #: 246 total cpu time spent up to now is 290.4 secs Computing kpt #: 247 total cpu time spent up to now is 291.3 secs Computing kpt #: 248 total cpu time spent up to now is 292.2 secs Computing kpt #: 249 total cpu time spent up to now is 293.1 secs Computing kpt #: 250 total cpu time spent up to now is 294.0 secs Computing kpt #: 251 total cpu time spent up to now is 295.0 secs Computing kpt #: 252 total cpu time spent up to now is 296.0 secs Computing kpt #: 253 total cpu time spent up to now is 296.9 secs Computing kpt #: 254 total cpu time spent up to now is 297.9 secs Computing kpt #: 255 total cpu time spent up to now is 298.9 secs Computing kpt #: 256 total cpu time spent up to now is 299.9 secs Computing kpt #: 257 total cpu time spent up to now is 300.8 secs Computing kpt #: 258 total cpu time spent up to now is 301.7 secs Computing kpt #: 259 total cpu time spent up to now is 302.6 secs Computing kpt #: 260 total cpu time spent up to now is 303.5 secs Computing kpt #: 261 total cpu time spent up to now is 304.4 secs Computing kpt #: 262 total cpu time spent up to now is 305.2 secs Computing kpt #: 263 total cpu time spent up to now is 306.1 secs Computing kpt #: 264 total cpu time spent up to now is 307.0 secs Computing kpt #: 265 total cpu time spent up to now is 307.9 secs Computing kpt #: 266 total cpu time spent up to now is 308.8 secs Computing kpt #: 267 total cpu time spent up to now is 309.7 secs Computing kpt #: 268 total cpu time spent up to now is 310.6 secs Computing kpt #: 269 total cpu time spent up to now is 311.5 secs Computing kpt #: 270 total cpu time spent up to now is 312.5 secs Computing kpt #: 271 total cpu time spent up to now is 313.6 secs Computing kpt #: 272 total cpu time spent up to now is 314.6 secs Computing kpt #: 273 total cpu time spent up to now is 315.7 secs Computing kpt #: 274 total cpu time spent up to now is 316.7 secs Computing kpt #: 275 total cpu time spent up to now is 317.8 secs Computing kpt #: 276 total cpu time spent up to now is 318.8 secs Computing kpt #: 277 total cpu time spent up to now is 319.9 secs Computing kpt #: 278 total cpu time spent up to now is 320.9 secs Computing kpt #: 279 total cpu time spent up to now is 322.0 secs Computing kpt #: 280 total cpu time spent up to now is 323.1 secs Computing kpt #: 281 total cpu time spent up to now is 324.1 secs Computing kpt #: 282 total cpu time spent up to now is 325.2 secs Computing kpt #: 283 total cpu time spent up to now is 326.4 secs Computing kpt #: 284 total cpu time spent up to now is 327.7 secs Computing kpt #: 285 total cpu time spent up to now is 328.8 secs Computing kpt #: 286 total cpu time spent up to now is 329.8 secs Computing kpt #: 287 total cpu time spent up to now is 330.8 secs Computing kpt #: 288 total cpu time spent up to now is 331.9 secs Computing kpt #: 289 total cpu time spent up to now is 332.8 secs Computing kpt #: 290 total cpu time spent up to now is 333.7 secs Computing kpt #: 291 total cpu time spent up to now is 334.7 secs Computing kpt #: 292 total cpu time spent up to now is 335.6 secs Computing kpt #: 293 total cpu time spent up to now is 336.4 secs Computing kpt #: 294 total cpu time spent up to now is 337.3 secs Computing kpt #: 295 total cpu time spent up to now is 338.1 secs Computing kpt #: 296 total cpu time spent up to now is 339.0 secs Computing kpt #: 297 total cpu time spent up to now is 339.8 secs Computing kpt #: 298 total cpu time spent up to now is 340.7 secs Computing kpt #: 299 total cpu time spent up to now is 341.5 secs Computing kpt #: 300 total cpu time spent up to now is 342.4 secs Computing kpt #: 301 total cpu time spent up to now is 343.3 secs Computing kpt #: 302 total cpu time spent up to now is 344.2 secs Computing kpt #: 303 total cpu time spent up to now is 345.1 secs Computing kpt #: 304 total cpu time spent up to now is 346.0 secs Computing kpt #: 305 total cpu time spent up to now is 346.9 secs ethr = 1.79E-08, avg # of iterations = 24.6 total cpu time spent up to now is 346.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): 1.3813 1.3813 3.9466 3.9466 4.1732 4.1732 4.8750 4.8750 5.3804 5.3804 5.3987 5.3987 5.5148 5.5148 5.5831 5.5831 5.7387 5.7387 5.9314 5.9314 6.0650 6.0650 6.2706 6.2706 6.4933 6.4933 6.7015 6.7015 6.9000 6.9000 7.2169 7.2169 7.4791 7.4791 7.5523 7.5523 7.5932 7.5932 7.8243 7.8243 8.0703 8.0703 8.1158 8.1158 8.3651 8.3651 8.6532 8.6532 8.9997 8.9997 9.6080 9.6080 10.4046 10.4046 10.8316 10.8316 13.6579 13.6579 14.7097 14.7097 16.4027 16.4027 18.0366 18.0366 18.2162 18.2162 18.2337 18.2337 k = 0.0000 0.0000 0.0104 ( 4169 PWs) bands (ev): 1.3830 1.3830 3.9421 3.9421 4.1738 4.1738 4.8755 4.8755 5.3703 5.3703 5.4039 5.4039 5.5141 5.5141 5.5837 5.5837 5.7379 5.7379 5.9301 5.9301 6.0672 6.0672 6.2738 6.2738 6.4982 6.4982 6.7002 6.7002 6.9010 6.9010 7.2165 7.2165 7.4791 7.4791 7.5523 7.5523 7.5938 7.5938 7.8247 7.8247 8.0702 8.0702 8.1146 8.1146 8.3657 8.3657 8.6528 8.6528 9.0045 9.0045 9.6032 9.6032 10.3647 10.3647 10.8762 10.8762 13.6630 13.6630 14.7122 14.7122 16.3856 16.3856 18.0327 18.0327 18.2032 18.2032 18.2460 18.2460 k = 0.0000 0.0000 0.0208 ( 4170 PWs) bands (ev): 1.3879 1.3879 3.9289 3.9289 4.1758 4.1758 4.8772 4.8772 5.3493 5.3493 5.4103 5.4103 5.5128 5.5128 5.5856 5.5856 5.7357 5.7357 5.9267 5.9267 6.0728 6.0728 6.2831 6.2831 6.5127 6.5127 6.6966 6.6966 6.9040 6.9040 7.2155 7.2155 7.4790 7.4790 7.5523 7.5523 7.5956 7.5956 7.8256 7.8256 8.0699 8.0699 8.1111 8.1111 8.3674 8.3674 8.6517 8.6517 9.0188 9.0188 9.5886 9.5886 10.2749 10.2749 10.9805 10.9805 13.6781 13.6781 14.7197 14.7197 16.3357 16.3357 18.0208 18.0208 18.1832 18.1832 18.2634 18.2634 k = 0.0000 0.0000 0.0313 ( 4162 PWs) bands (ev): 1.3962 1.3962 3.9071 3.9071 4.1791 4.1791 4.8798 4.8798 5.3212 5.3212 5.4142 5.4142 5.5119 5.5119 5.5885 5.5885 5.7329 5.7329 5.9224 5.9224 6.0797 6.0797 6.2978 6.2978 6.5356 6.5356 6.6909 6.6909 6.9087 6.9087 7.2138 7.2138 7.4787 7.4787 7.5524 7.5524 7.5985 7.5985 7.8270 7.8270 8.0694 8.0694 8.1055 8.1055 8.3701 8.3701 8.6499 8.6499 9.0421 9.0421 9.5643 9.5643 10.1693 10.1693 11.1107 11.1107 13.7031 13.7031 14.7321 14.7321 16.2558 16.2558 18.0007 18.0007 18.1613 18.1613 18.2806 18.2806 k = 0.0000 0.0000 0.0417 ( 4167 PWs) bands (ev): 1.4077 1.4077 3.8771 3.8771 4.1837 4.1837 4.8832 4.8832 5.2869 5.2869 5.4156 5.4156 5.5127 5.5127 5.5924 5.5924 5.7302 5.7302 5.9183 5.9183 6.0864 6.0864 6.3168 6.3168 6.5651 6.5651 6.6844 6.6844 6.9150 6.9150 7.2118 7.2118 7.4781 7.4781 7.5527 7.5527 7.6025 7.6025 7.8290 7.8290 8.0680 8.0680 8.0987 8.0987 8.3737 8.3737 8.6477 8.6477 9.0739 9.0739 9.5303 9.5303 10.0622 10.0622 11.2531 11.2531 13.7375 13.7375 14.7495 14.7495 16.1502 16.1502 17.9722 17.9722 18.1377 18.1377 18.2967 18.2967 k = 0.0000 0.0000 0.0521 ( 4160 PWs) bands (ev): 1.4225 1.4225 3.8393 3.8393 4.1895 4.1895 4.8873 4.8873 5.2478 5.2478 5.4151 5.4151 5.5154 5.5154 5.5972 5.5972 5.7281 5.7281 5.9146 5.9146 6.0922 6.0922 6.3391 6.3391 6.5967 6.5967 6.6799 6.6799 6.9223 6.9223 7.2095 7.2095 7.4769 7.4769 7.5535 7.5535 7.6074 7.6074 7.8314 7.8314 8.0645 8.0645 8.0923 8.0923 8.3780 8.3780 8.6452 8.6452 9.1128 9.1128 9.4874 9.4874 9.9598 9.9598 11.4026 11.4026 13.7808 13.7808 14.7717 14.7717 16.0238 16.0238 17.9344 17.9344 18.1115 18.1115 18.3114 18.3114 k = 0.0000 0.0000 0.0625 ( 4159 PWs) bands (ev): 1.4406 1.4406 3.7943 3.7943 4.1964 4.1964 4.8918 4.8918 5.2058 5.2058 5.4130 5.4130 5.5200 5.5200 5.6027 5.6027 5.7267 5.7267 5.9113 5.9113 6.0971 6.0971 6.3639 6.3639 6.6190 6.6190 6.6869 6.6869 6.9307 6.9307 7.2073 7.2073 7.4751 7.4751 7.5550 7.5550 7.6130 7.6130 7.8342 7.8342 8.0571 8.0571 8.0886 8.0886 8.3828 8.3828 8.6425 8.6425 9.1556 9.1556 9.4381 9.4381 9.8654 9.8654 11.5566 11.5566 13.8323 13.8323 14.7987 14.7987 15.8813 15.8813 17.8873 17.8873 18.0809 18.0809 18.3240 18.3240 k = 0.0000 0.0000 0.0729 ( 4162 PWs) bands (ev): 1.4620 1.4620 3.7426 3.7426 4.2044 4.2044 4.8961 4.8961 5.1626 5.1626 5.4099 5.4099 5.5261 5.5261 5.6088 5.6088 5.7260 5.7260 5.9084 5.9084 6.1015 6.1015 6.3907 6.3907 6.6205 6.6205 6.7153 6.7153 6.9396 6.9396 7.2054 7.2054 7.4723 7.4723 7.5575 7.5575 7.6192 7.6192 7.8371 7.8371 8.0452 8.0452 8.0883 8.0883 8.3880 8.3880 8.6397 8.6397 9.1926 9.1926 9.3909 9.3909 9.7818 9.7818 11.7137 11.7137 13.8909 13.8909 14.8304 14.8304 15.7272 15.7272 17.8310 17.8310 18.0428 18.0428 18.3330 18.3330 k = 0.0000 0.0000 0.0833 ( 4168 PWs) bands (ev): 1.4865 1.4865 3.6850 3.6850 4.2135 4.2135 4.8997 4.8997 5.1203 5.1203 5.4059 5.4059 5.5335 5.5335 5.6153 5.6153 5.7260 5.7260 5.9058 5.9058 6.1056 6.1056 6.4190 6.4190 6.6103 6.6103 6.7543 6.7543 6.9492 6.9492 7.2041 7.2041 7.4685 7.4685 7.5611 7.5611 7.6257 7.6257 7.8402 7.8402 8.0303 8.0303 8.0908 8.0908 8.3934 8.3934 8.6367 8.6367 9.1964 9.1964 9.3713 9.3713 9.7124 9.7124 11.8728 11.8728 13.9555 13.9555 14.8667 14.8667 15.5658 15.5658 17.7660 17.7660 17.9924 17.9924 18.3360 18.3360 k = 0.0000 0.0000 0.0938 ( 4160 PWs) bands (ev): 1.5143 1.5143 3.6221 3.6221 4.2235 4.2235 4.9013 4.9013 5.0812 5.0812 5.4012 5.4012 5.5418 5.5418 5.6221 5.6221 5.7266 5.7266 5.9034 5.9034 6.1097 6.1097 6.4487 6.4487 6.5958 6.5958 6.7953 6.7953 6.9592 6.9592 7.2036 7.2036 7.4638 7.4638 7.5660 7.5660 7.6323 7.6323 7.8433 7.8433 8.0132 8.0132 8.0952 8.0952 8.3989 8.3989 8.6335 8.6335 9.1492 9.1492 9.3888 9.3888 9.6665 9.6665 12.0328 12.0328 14.0242 14.0242 14.9074 14.9074 15.4016 15.4016 17.6932 17.6932 17.9247 17.9247 18.3277 18.3277 k = 0.0000 0.0000 0.1042 ( 4165 PWs) bands (ev): 1.5452 1.5452 3.5545 3.5545 4.2344 4.2344 4.8985 4.8985 5.0483 5.0483 5.3957 5.3957 5.5508 5.5508 5.6291 5.6291 5.7277 5.7277 5.9011 5.9011 6.1139 6.1139 6.4792 6.4792 6.5795 6.5795 6.8348 6.8348 6.9697 6.9697 7.2043 7.2043 7.4582 7.4582 7.5721 7.5721 7.6390 7.6390 7.8463 7.8463 7.9945 7.9945 8.1014 8.1014 8.4043 8.4043 8.6299 8.6299 9.0772 9.0772 9.3979 9.3979 9.6646 9.6646 12.1925 12.1925 14.0941 14.0941 14.9522 14.9522 15.2403 15.2403 17.6133 17.6133 17.8356 17.8356 18.2987 18.2987 k = 0.0000 0.0000 0.1146 ( 4174 PWs) bands (ev): 1.5793 1.5793 3.4831 3.4831 4.2461 4.2461 4.8880 4.8880 5.0254 5.0254 5.3895 5.3895 5.5604 5.5604 5.6362 5.6362 5.7292 5.7292 5.8989 5.8989 6.1184 6.1184 6.5091 6.5091 6.5634 6.5634 6.8709 6.8709 6.9810 6.9810 7.2061 7.2061 7.4521 7.4521 7.5792 7.5792 7.6455 7.6455 7.8493 7.8493 7.9746 7.9746 8.1093 8.1093 8.4096 8.4096 8.6256 8.6256 8.9977 8.9977 9.3718 9.3718 9.7169 9.7169 12.3502 12.3502 14.1600 14.1600 14.9991 14.9991 15.0913 15.0913 17.5271 17.5271 17.7249 17.7249 18.2413 18.2413 k = 0.0000 0.0000 0.1250 ( 4177 PWs) bands (ev): 1.6165 1.6165 3.4084 3.4084 4.2585 4.2585 4.8680 4.8680 5.0146 5.0146 5.3825 5.3825 5.5704 5.5704 5.6432 5.6432 5.7309 5.7309 5.8967 5.8967 6.1232 6.1232 6.5269 6.5269 6.5592 6.5592 6.9023 6.9023 6.9936 6.9936 7.2094 7.2094 7.4458 7.4458 7.5872 7.5872 7.6518 7.6518 7.8520 7.8520 7.9538 7.9538 8.1190 8.1190 8.4145 8.4145 8.6199 8.6199 8.9176 8.9176 9.3235 9.3235 9.8051 9.8051 12.5037 12.5037 14.2119 14.2119 14.9554 14.9554 15.0601 15.0601 17.4350 17.4350 17.5959 17.5959 18.1595 18.1595 k = 0.0000 0.0000 0.1354 ( 4178 PWs) bands (ev): 1.6567 1.6567 3.3311 3.3311 4.2716 4.2716 4.8408 4.8408 5.0140 5.0140 5.3746 5.3746 5.5806 5.5806 5.6501 5.6501 5.7328 5.7328 5.8945 5.8945 6.1285 6.1285 6.5149 6.5149 6.5845 6.5845 6.9278 6.9278 7.0082 7.0082 7.2138 7.2138 7.4397 7.4397 7.5959 7.5959 7.6577 7.6577 7.8543 7.8543 7.9325 7.9325 8.1302 8.1302 8.4189 8.4189 8.6117 8.6117 8.8412 8.8412 9.2664 9.2664 9.9133 9.9133 12.6489 12.6489 14.2335 14.2335 14.8725 14.8725 15.1156 15.1156 17.3361 17.3361 17.4547 17.4547 18.0593 18.0593 k = 0.0000 0.0000 0.1458 ( 4185 PWs) bands (ev): 1.6999 1.6999 3.2519 3.2519 4.2852 4.2852 4.8101 4.8101 5.0198 5.0198 5.3658 5.3658 5.5910 5.5910 5.6567 5.6567 5.7349 5.7349 5.8923 5.8923 6.1341 6.1341 6.4959 6.4959 6.6167 6.6167 6.9467 6.9467 7.0251 7.0251 7.2193 7.2193 7.4343 7.4343 7.6050 7.6050 7.6633 7.6633 7.8558 7.8558 7.9116 7.9116 8.1430 8.1430 8.4226 8.4226 8.5980 8.5980 8.7732 8.7732 9.2059 9.2059 10.0346 10.0346 12.7797 12.7797 14.2115 14.2115 14.8514 14.8514 15.1764 15.1764 17.2257 17.2257 17.3114 17.3114 17.9441 17.9441 k = 0.0000 0.0000 0.1563 ( 4187 PWs) bands (ev): 1.7461 1.7461 3.1712 3.1712 4.2994 4.2994 4.7782 4.7782 5.0297 5.0297 5.3560 5.3560 5.6014 5.6014 5.6630 5.6630 5.7370 5.7370 5.8901 5.8901 6.1401 6.1401 6.4756 6.4756 6.6497 6.6497 6.9598 6.9598 7.0436 7.0436 7.2254 7.2254 7.4302 7.4302 7.6141 7.6141 7.6684 7.6684 7.8545 7.8545 7.8933 7.8933 8.1570 8.1570 8.4251 8.4251 8.5740 8.5740 8.7203 8.7203 9.1444 9.1444 10.1661 10.1661 12.8855 12.8855 14.1603 14.1603 14.8897 14.8897 15.2410 15.2410 17.0914 17.0914 17.1822 17.1822 17.8159 17.8159 k = 0.0000 0.0000 0.1667 ( 4195 PWs) bands (ev): 1.7952 1.7952 3.0897 3.0897 4.3140 4.3140 4.7467 4.7467 5.0422 5.0422 5.3452 5.3452 5.6118 5.6118 5.6688 5.6688 5.7391 5.7391 5.8879 5.8879 6.1466 6.1466 6.4550 6.4550 6.6825 6.6825 6.9684 6.9684 7.0624 7.0624 7.2314 7.2314 7.4283 7.4283 7.6229 7.6229 7.6731 7.6731 7.8454 7.8454 7.8831 7.8831 8.1717 8.1717 8.4252 8.4252 8.5374 8.5374 8.6873 8.6873 9.0830 9.0830 10.3060 10.3060 12.9506 12.9506 14.1162 14.1162 14.9666 14.9666 15.3087 15.3087 16.9344 16.9344 17.0696 17.0696 17.6772 17.6772 k = 0.0000 0.0000 0.1771 ( 4196 PWs) bands (ev): 1.8470 1.8470 3.0078 3.0078 4.3289 4.3289 4.7162 4.7162 5.0566 5.0566 5.3333 5.3333 5.6219 5.6219 5.6742 5.6742 5.7410 5.7410 5.8858 5.8858 6.1533 6.1533 6.4346 6.4346 6.7146 6.7146 6.9736 6.9736 7.0807 7.0807 7.2364 7.2364 7.4292 7.4292 7.6309 7.6309 7.6770 7.6770 7.8282 7.8282 7.8824 7.8824 8.1861 8.1861 8.4192 8.4192 8.4975 8.4975 8.6697 8.6697 9.0224 9.0224 10.4532 10.4532 12.9588 12.9588 14.1119 14.1119 15.0654 15.0654 15.3790 15.3790 16.7677 16.7677 16.9632 16.9632 17.5306 17.5306 k = 0.0000 0.0000 0.1875 ( 4196 PWs) bands (ev): 1.9015 1.9015 2.9260 2.9260 4.3441 4.3441 4.6871 4.6871 5.0724 5.0724 5.3205 5.3205 5.6316 5.6316 5.6789 5.6789 5.7428 5.7428 5.8838 5.8838 6.1604 6.1604 6.4148 6.4148 6.7456 6.7456 6.9762 6.9762 7.0978 7.0978 7.2397 7.2397 7.4338 7.4338 7.6375 7.6375 7.6800 7.6800 7.8086 7.8086 7.8863 7.8863 8.1977 8.1977 8.4003 8.4003 8.4714 8.4714 8.6604 8.6604 8.9634 8.9634 10.6069 10.6069 12.9055 12.9055 14.1606 14.1606 15.1769 15.1769 15.4514 15.4514 16.5980 16.5980 16.8588 16.8588 17.3786 17.3786 k = 0.0000 0.0000 0.1979 ( 4194 PWs) bands (ev): 1.9585 1.9585 2.8448 2.8448 4.3595 4.3595 4.6596 4.6596 5.0893 5.0893 5.3067 5.3067 5.6407 5.6407 5.6830 5.6830 5.7444 5.7444 5.8819 5.8819 6.1677 6.1677 6.3957 6.3957 6.7750 6.7750 6.9766 6.9766 7.1136 7.1136 7.2407 7.2407 7.4423 7.4423 7.6417 7.6417 7.6814 7.6814 7.7904 7.7904 7.8927 7.8927 8.2020 8.2020 8.3743 8.3743 8.4619 8.4619 8.6552 8.6552 8.9066 8.9066 10.7662 10.7662 12.8021 12.8021 14.2551 14.2551 15.2954 15.2954 15.5248 15.5248 16.4295 16.4295 16.7557 16.7557 17.2235 17.2235 k = 0.0000 0.0000 0.2084 ( 4192 PWs) bands (ev): 2.0178 2.0178 2.7645 2.7645 4.3748 4.3748 4.6340 4.6340 5.1070 5.1070 5.2919 5.2919 5.6492 5.6492 5.6864 5.6864 5.7457 5.7457 5.8801 5.8801 6.1751 6.1751 6.3779 6.3779 6.8025 6.8025 6.9749 6.9749 7.1280 7.1280 7.2395 7.2395 7.4548 7.4548 7.6422 7.6422 7.6806 7.6806 7.7761 7.7761 7.9014 7.9014 8.1928 8.1928 8.3591 8.3591 8.4592 8.4592 8.6522 8.6522 8.8527 8.8527 10.9305 10.9305 12.6655 12.6655 14.3805 14.3805 15.4154 15.4154 15.5975 15.5975 16.2672 16.2672 16.6542 16.6542 17.0677 17.0677 k = 0.0000 0.0000 0.2188 ( 4189 PWs) bands (ev): 2.0791 2.0791 2.6859 2.6859 4.3898 4.3898 4.6106 4.6106 5.1252 5.1252 5.2764 5.2764 5.6567 5.6567 5.6890 5.6890 5.7467 5.7467 5.8786 5.8786 6.1823 6.1823 6.3618 6.3618 6.8277 6.8277 6.9714 6.9714 7.1410 7.1410 7.2364 7.2364 7.4707 7.4707 7.6368 7.6368 7.6785 7.6785 7.7671 7.7671 7.9121 7.9121 8.1696 8.1696 8.3607 8.3607 8.4583 8.4583 8.6509 8.6509 8.8028 8.8028 11.0991 11.0991 12.5089 12.5089 14.5240 14.5240 15.5250 15.5250 15.6691 15.6691 16.1219 16.1219 16.5549 16.5549 16.9136 16.9136 k = 0.0000 0.0000 0.2292 ( 4197 PWs) bands (ev): 2.1415 2.1415 2.6097 2.6097 4.4038 4.4038 4.5900 4.5900 5.1435 5.1435 5.2602 5.2602 5.6631 5.6631 5.6909 5.6909 5.7474 5.7474 5.8774 5.8774 6.1890 6.1890 6.3479 6.3479 6.8500 6.8500 6.9663 6.9663 7.1525 7.1525 7.2319 7.2319 7.4896 7.4896 7.6243 7.6243 7.6769 7.6769 7.7630 7.7630 7.9246 7.9246 8.1398 8.1398 8.3733 8.3733 8.4576 8.4576 8.6510 8.6510 8.7581 8.7581 11.2712 11.2712 12.3408 12.3408 14.6762 14.6762 15.5830 15.5830 15.7516 15.7516 16.0207 16.0207 16.4590 16.4590 16.7647 16.7647 k = 0.0000 0.0000 0.2396 ( 4190 PWs) bands (ev): 2.2035 2.2035 2.5379 2.5379 4.4160 4.4160 4.5731 4.5731 5.1615 5.1615 5.2438 5.2438 5.6680 5.6680 5.6920 5.6920 5.7479 5.7479 5.8765 5.8765 6.1946 6.1946 6.3371 6.3371 6.8686 6.8686 6.9603 6.9603 7.1619 7.1619 7.2271 7.2271 7.5103 7.5103 7.6061 7.6061 7.6762 7.6762 7.7618 7.7618 7.9380 7.9380 8.1110 8.1110 8.3895 8.3895 8.4563 8.4563 8.6532 8.6532 8.7203 8.7203 11.4458 11.4458 12.1667 12.1667 14.8284 14.8284 15.5417 15.5417 15.8567 15.8567 15.9951 15.9951 16.3695 16.3695 16.6277 16.6277 k = 0.0000 0.0000 0.2500 ( 4186 PWs) bands (ev): 2.2593 2.2593 2.4761 2.4761 4.4247 4.4247 4.5616 4.5616 5.1779 5.1779 5.2284 5.2284 5.6712 5.6712 5.6926 5.6926 5.7482 5.7482 5.8759 5.8759 6.1985 6.1985 6.3300 6.3300 6.8817 6.8817 6.9547 6.9547 7.1685 7.1685 7.2231 7.2231 7.5316 7.5316 7.5857 7.5857 7.6761 7.6761 7.7618 7.7618 7.9496 7.9496 8.0892 8.0892 8.4034 8.4034 8.4544 8.4544 8.6585 8.6585 8.6913 8.6913 11.6209 11.6209 11.9912 11.9912 14.9641 14.9641 15.4453 15.4453 15.9589 15.9589 16.0172 16.0172 16.2943 16.2943 16.5183 16.5183 k = 0.0000 0.0000 0.2604 ( 4184 PWs) bands (ev): 2.2872 2.2872 2.4463 2.4463 4.4279 4.4279 4.5574 4.5574 5.1865 5.1865 5.2202 5.2202 5.6723 5.6723 5.6928 5.6928 5.7483 5.7483 5.8757 5.8757 6.1998 6.1998 6.3275 6.3275 6.8867 6.8867 6.9523 6.9523 7.1710 7.1710 7.2214 7.2214 7.5455 7.5455 7.5720 7.5720 7.6761 7.6761 7.7619 7.7619 7.9545 7.9545 8.0807 8.0807 8.4091 8.4091 8.4533 8.4533 8.6657 8.6657 8.6757 8.6757 11.7601 11.7601 11.8517 11.8517 15.0308 15.0308 15.3879 15.3879 16.0164 16.0164 16.0246 16.0246 16.2594 16.2594 16.4721 16.4721 k = 0.0000 0.0000 0.2604 ( 4184 PWs) bands (ev): 2.2872 2.2872 2.4463 2.4463 4.4279 4.4279 4.5574 4.5574 5.1865 5.1865 5.2202 5.2202 5.6723 5.6723 5.6928 5.6928 5.7483 5.7483 5.8757 5.8757 6.1998 6.1998 6.3275 6.3275 6.8867 6.8867 6.9523 6.9523 7.1710 7.1710 7.2214 7.2214 7.5455 7.5455 7.5720 7.5720 7.6761 7.6761 7.7619 7.7619 7.9545 7.9545 8.0807 8.0807 8.4091 8.4091 8.4533 8.4533 8.6657 8.6657 8.6757 8.6757 11.7601 11.7601 11.8517 11.8517 15.0308 15.0308 15.3879 15.3879 16.0164 16.0164 16.0246 16.0246 16.2594 16.2594 16.4721 16.4721 k = 0.0000 0.0104 0.2604 ( 4187 PWs) bands (ev): 2.2888 2.2888 2.4479 2.4479 4.4259 4.4259 4.5558 4.5558 5.1867 5.1867 5.2197 5.2197 5.6719 5.6719 5.6927 5.6927 5.7483 5.7483 5.8754 5.8754 6.1969 6.1969 6.3253 6.3253 6.8841 6.8841 6.9523 6.9523 7.1691 7.1691 7.2222 7.2222 7.5315 7.5315 7.5813 7.5813 7.6722 7.6722 7.7643 7.7643 7.9513 7.9513 8.0837 8.0837 8.3950 8.3950 8.4771 8.4771 8.6212 8.6212 8.7340 8.7340 11.7538 11.7538 11.8597 11.8597 15.0134 15.0134 15.3991 15.3991 15.9930 15.9930 16.0362 16.0362 16.2566 16.2566 16.4999 16.4999 k = 0.0000 0.0208 0.2604 ( 4191 PWs) bands (ev): 2.2937 2.2937 2.4526 2.4526 4.4198 4.4198 4.5507 4.5507 5.1873 5.1873 5.2184 5.2184 5.6708 5.6708 5.6925 5.6925 5.7485 5.7485 5.8743 5.8743 6.1883 6.1883 6.3184 6.3184 6.8768 6.8768 6.9522 6.9522 7.1641 7.1641 7.2242 7.2242 7.5073 7.5073 7.5919 7.5919 7.6628 7.6628 7.7680 7.7680 7.9455 7.9455 8.0903 8.0903 8.3759 8.3759 8.5251 8.5251 8.5837 8.5837 8.8118 8.8118 11.7392 11.7392 11.8796 11.8796 14.9683 14.9683 15.4228 15.4228 15.9544 15.9544 16.0489 16.0489 16.2562 16.2562 16.5685 16.5685 k = 0.0000 0.0312 0.2604 ( 4189 PWs) bands (ev): 2.3018 2.3018 2.4605 2.4605 4.4094 4.4094 4.5423 4.5423 5.1881 5.1881 5.2164 5.2164 5.6688 5.6688 5.6921 5.6921 5.7486 5.7486 5.8725 5.8725 6.1743 6.1743 6.3072 6.3072 6.8659 6.8659 6.9512 6.9512 7.1572 7.1572 7.2268 7.2268 7.4817 7.4817 7.5955 7.5955 7.6520 7.6520 7.7678 7.7678 7.9442 7.9442 8.0969 8.0969 8.3599 8.3599 8.5539 8.5539 8.5894 8.5894 8.9041 8.9041 11.7217 11.7217 11.9060 11.9060 14.9076 14.9076 15.4393 15.4393 15.9193 15.9193 16.0649 16.0649 16.2647 16.2647 16.6574 16.6574 k = 0.0000 0.0416 0.2604 ( 4192 PWs) bands (ev): 2.3132 2.3132 2.4716 2.4716 4.3947 4.3947 4.5304 4.5304 5.1887 5.1887 5.2142 5.2142 5.6661 5.6661 5.6917 5.6917 5.7488 5.7488 5.8698 5.8698 6.1556 6.1556 6.2917 6.2917 6.8526 6.8526 6.9490 6.9490 7.1496 7.1496 7.2295 7.2295 7.4572 7.4572 7.5898 7.5898 7.6440 7.6440 7.7617 7.7617 7.9499 7.9499 8.1017 8.1017 8.3466 8.3466 8.5316 8.5316 8.6665 8.6665 9.0098 9.0098 11.7037 11.7037 11.9362 11.9362 14.8395 14.8395 15.4302 15.4302 15.9058 15.9058 16.0857 16.0857 16.2821 16.2821 16.7546 16.7546 k = 0.0000 0.0520 0.2604 ( 4185 PWs) bands (ev): 2.3279 2.3279 2.4858 2.4858 4.3754 4.3754 4.5152 4.5152 5.1884 5.1884 5.2126 5.2126 5.6625 5.6625 5.6910 5.6910 5.7488 5.7488 5.8660 5.8660 6.1330 6.1330 6.2723 6.2723 6.8379 6.8379 6.9453 6.9453 7.1423 7.1423 7.2322 7.2322 7.4347 7.4347 7.5761 7.5761 7.6398 7.6398 7.7519 7.7519 7.9605 7.9605 8.1046 8.1046 8.3349 8.3349 8.5133 8.5133 8.7573 8.7573 9.1270 9.1270 11.6861 11.6861 11.9694 11.9694 14.7685 14.7685 15.3888 15.3888 15.9209 15.9209 16.1116 16.1116 16.3072 16.3072 16.8526 16.8526 k = 0.0000 0.0624 0.2604 ( 4185 PWs) bands (ev): 2.3458 2.3458 2.5031 2.5031 4.3512 4.3512 4.4965 4.4965 5.1866 5.1866 5.2124 5.2124 5.6580 5.6580 5.6902 5.6902 5.7486 5.7486 5.8610 5.8610 6.1076 6.1076 6.2497 6.2497 6.8227 6.8227 6.9403 6.9403 7.1362 7.1362 7.2347 7.2347 7.4147 7.4147 7.5589 7.5589 7.6371 7.6371 7.7408 7.7408 7.9730 7.9730 8.1059 8.1059 8.3239 8.3239 8.4975 8.4975 8.8601 8.8601 9.2538 9.2538 11.6694 11.6694 12.0050 12.0050 14.6970 14.6970 15.3222 15.3222 15.9570 15.9570 16.1422 16.1422 16.3391 16.3391 16.9432 16.9432 k = 0.0000 0.0728 0.2604 ( 4194 PWs) bands (ev): 2.3668 2.3668 2.5236 2.5236 4.3220 4.3220 4.4743 4.4743 5.1828 5.1828 5.2140 5.2140 5.6526 5.6526 5.6893 5.6893 5.7480 5.7480 5.8544 5.8544 6.0805 6.0805 6.2248 6.2248 6.8078 6.8078 6.9344 6.9344 7.1317 7.1317 7.2373 7.2373 7.3975 7.3975 7.5412 7.5412 7.6345 7.6345 7.7297 7.7297 7.9854 7.9854 8.1063 8.1063 8.3131 8.3131 8.4835 8.4835 8.9733 8.9733 9.3887 9.3887 11.6536 11.6536 12.0429 12.0429 14.6265 14.6265 15.2405 15.2405 16.0028 16.0028 16.1769 16.1769 16.3762 16.3762 17.0118 17.0118 k = 0.0000 0.0832 0.2604 ( 4195 PWs) bands (ev): 2.3910 2.3910 2.5470 2.5470 4.2875 4.2875 4.4485 4.4485 5.1777 5.1777 5.2170 5.2170 5.6461 5.6461 5.6881 5.6881 5.7470 5.7470 5.8459 5.8459 6.0531 6.0531 6.1987 6.1987 6.7936 6.7936 6.9281 6.9281 7.1290 7.1290 7.2400 7.2400 7.3829 7.3829 7.5246 7.5246 7.6313 7.6313 7.7190 7.7190 7.9966 7.9966 8.1061 8.1061 8.3021 8.3021 8.4704 8.4704 9.0953 9.0953 9.5303 9.5303 11.6386 11.6386 12.0829 12.0829 14.5580 14.5580 15.1507 15.1507 16.0498 16.0498 16.2137 16.2137 16.4161 16.4161 17.0308 17.0308 k = 0.0000 0.0936 0.2604 ( 4195 PWs) bands (ev): 2.4184 2.4184 2.5735 2.5735 4.2476 4.2476 4.4193 4.4193 5.1718 5.1718 5.2210 5.2210 5.6383 5.6383 5.6866 5.6866 5.7453 5.7453 5.8355 5.8355 6.0264 6.0264 6.1728 6.1728 6.7804 6.7804 6.9219 6.9219 7.1281 7.1281 7.2427 7.2427 7.3709 7.3709 7.5096 7.5096 7.6273 7.6273 7.7089 7.7089 8.0066 8.0066 8.1058 8.1058 8.2910 8.2910 8.4579 8.4579 9.2244 9.2244 9.6771 9.6771 11.6245 11.6245 12.1250 12.1250 14.4923 14.4923 15.0569 15.0569 16.0905 16.0905 16.2501 16.2501 16.4545 16.4545 16.9797 16.9797 k = 0.0000 0.1040 0.2604 ( 4186 PWs) bands (ev): 2.4489 2.4489 2.6031 2.6031 4.2025 4.2025 4.3864 4.3864 5.1657 5.1657 5.2258 5.2258 5.6289 5.6289 5.6848 5.6848 5.7430 5.7430 5.8231 5.8231 6.0016 6.0016 6.1483 6.1483 6.7685 6.7685 6.9161 6.9161 7.1288 7.1288 7.2456 7.2456 7.3612 7.3612 7.4963 7.4963 7.6226 7.6226 7.6992 7.6992 8.0152 8.0152 8.1054 8.1054 8.2795 8.2795 8.4456 8.4456 9.3591 9.3591 9.8283 9.8283 11.6111 11.6111 12.1691 12.1691 14.4299 14.4299 14.9613 14.9613 16.1131 16.1131 16.2837 16.2837 16.4869 16.4869 16.8928 16.8928 k = 0.0000 0.1144 0.2604 ( 4187 PWs) bands (ev): 2.4825 2.4825 2.6355 2.6355 4.1523 4.1523 4.3500 4.3500 5.1597 5.1597 5.2309 5.2309 5.6179 5.6179 5.6825 5.6825 5.7400 5.7400 5.8090 5.8090 5.9793 5.9793 6.1263 6.1263 6.7577 6.7577 6.9110 6.9110 7.1311 7.1311 7.2487 7.2487 7.3537 7.3537 7.4843 7.4843 7.6172 7.6172 7.6899 7.6899 8.0227 8.0227 8.1052 8.1052 8.2677 8.2677 8.4335 8.4335 9.4981 9.4981 9.9827 9.9827 11.5982 11.5982 12.2151 12.2151 14.3713 14.3713 14.8653 14.8653 16.0954 16.0954 16.3157 16.3157 16.5138 16.5138 16.8149 16.8149 k = 0.0000 0.1248 0.2604 ( 4190 PWs) bands (ev): 2.5190 2.5190 2.6708 2.6708 4.0973 4.0973 4.3099 4.3099 5.1540 5.1540 5.2363 5.2363 5.6049 5.6049 5.6797 5.6797 5.7363 5.7363 5.7939 5.7939 5.9601 5.9601 6.1075 6.1075 6.7482 6.7482 6.9068 6.9068 7.1347 7.1347 7.2518 7.2518 7.3483 7.3483 7.4734 7.4734 7.6111 7.6111 7.6812 7.6812 8.0293 8.0293 8.1053 8.1053 8.2557 8.2557 8.4215 8.4215 9.6399 9.6399 10.1395 10.1395 11.5858 11.5858 12.2630 12.2630 14.3169 14.3169 14.7698 14.7698 16.0187 16.0187 16.3496 16.3496 16.5436 16.5436 16.7545 16.7545 k = 0.0000 0.1352 0.2604 ( 4180 PWs) bands (ev): 2.5585 2.5585 2.7090 2.7090 4.0380 4.0380 4.2663 4.2663 5.1487 5.1487 5.2418 5.2418 5.5899 5.5899 5.6761 5.6761 5.7318 5.7318 5.7790 5.7790 5.9440 5.9440 6.0919 6.0919 6.7398 6.7398 6.9034 6.9034 7.1396 7.1396 7.2549 7.2549 7.3446 7.3446 7.4633 7.4633 7.6042 7.6042 7.6731 7.6731 8.0350 8.0350 8.1055 8.1055 8.2436 8.2436 8.4094 8.4094 9.7835 9.7835 10.2976 10.2976 11.5736 11.5736 12.3126 12.3126 14.2670 14.2670 14.6755 14.6755 15.8928 15.8928 16.3776 16.3776 16.5782 16.5782 16.7019 16.7019 k = 0.0000 0.1456 0.2604 ( 4182 PWs) bands (ev): 2.6010 2.6010 2.7498 2.7498 3.9749 3.9749 4.2193 4.2193 5.1441 5.1441 5.2474 5.2474 5.5731 5.5731 5.6715 5.6715 5.7268 5.7268 5.7655 5.7655 5.9311 5.9311 6.0795 6.0795 6.7325 6.7325 6.9008 6.9008 7.1454 7.1454 7.2578 7.2578 7.3426 7.3426 7.4538 7.4538 7.5965 7.5965 7.6657 7.6657 8.0402 8.0402 8.1061 8.1061 8.2315 8.2315 8.3975 8.3975 9.9273 9.9273 10.4561 10.4561 11.5616 11.5616 12.3639 12.3639 14.2221 14.2221 14.5828 14.5828 15.7395 15.7395 16.3687 16.3687 16.6011 16.6011 16.6864 16.6864 k = 0.0000 0.1560 0.2604 ( 4188 PWs) bands (ev): 2.6462 2.6462 2.7933 2.7933 3.9085 3.9085 4.1689 4.1689 5.1402 5.1402 5.2529 5.2529 5.5549 5.5549 5.6657 5.6657 5.7213 5.7213 5.7543 5.7543 5.9209 5.9209 6.0699 6.0699 6.7262 6.7262 6.8990 6.8990 7.1522 7.1522 7.2606 7.2606 7.3422 7.3422 7.4447 7.4447 7.5880 7.5880 7.6591 7.6591 8.0451 8.0451 8.1068 8.1068 8.2195 8.2195 8.3857 8.3857 10.0700 10.0700 10.6139 10.6139 11.5495 11.5495 12.4168 12.4168 14.1823 14.1823 14.4923 14.4923 15.5742 15.5742 16.2883 16.2883 16.6267 16.6267 16.7276 16.7276 k = 0.0000 0.1664 0.2604 ( 4195 PWs) bands (ev): 2.6941 2.6941 2.8394 2.8394 3.8397 3.8397 4.1155 4.1155 5.1371 5.1371 5.2582 5.2582 5.5359 5.5359 5.6589 5.6589 5.7158 5.7158 5.7457 5.7457 5.9131 5.9131 6.0626 6.0626 6.7208 6.7208 6.8978 6.8978 7.1597 7.1597 7.2630 7.2630 7.3431 7.3431 7.4361 7.4361 7.5787 7.5787 7.6535 7.6535 8.0497 8.0497 8.1078 8.1078 8.2077 8.2077 8.3742 8.3742 10.2101 10.2101 10.7698 10.7698 11.5373 11.5373 12.4709 12.4709 14.1479 14.1479 14.4045 14.4045 15.4058 15.4058 16.1589 16.1589 16.6771 16.6771 16.7883 16.7883 k = 0.0000 0.1768 0.2604 ( 4192 PWs) bands (ev): 2.7447 2.7447 2.8877 2.8877 3.7689 3.7689 4.0595 4.0595 5.1346 5.1346 5.2632 5.2632 5.5168 5.5168 5.6511 5.6511 5.7107 5.7107 5.7394 5.7394 5.9071 5.9071 6.0570 6.0570 6.7163 6.7163 6.8970 6.8970 7.1678 7.1678 7.2652 7.2652 7.3450 7.3450 7.4281 7.4281 7.5688 7.5688 7.6488 7.6488 8.0542 8.0542 8.1089 8.1089 8.1962 8.1962 8.3630 8.3630 10.3459 10.3459 10.9223 10.9223 11.5248 11.5248 12.5262 12.5262 14.1190 14.1190 14.3201 14.3201 15.2397 15.2397 16.0104 16.0104 16.7410 16.7410 16.8566 16.8566 k = 0.0000 0.1872 0.2604 ( 4196 PWs) bands (ev): 2.7978 2.7978 2.9382 2.9382 3.6970 3.6970 4.0011 4.0011 5.1327 5.1327 5.2678 5.2678 5.4983 5.4983 5.6429 5.6429 5.7063 5.7063 5.7349 5.7349 5.9027 5.9027 6.0529 6.0529 6.7125 6.7125 6.8967 6.8967 7.1762 7.1762 7.2670 7.2670 7.3476 7.3476 7.4207 7.4207 7.5583 7.5583 7.6451 7.6451 8.0588 8.0588 8.1101 8.1101 8.1851 8.1851 8.3523 8.3523 10.4753 10.4753 11.0694 11.0694 11.5124 11.5124 12.5821 12.5821 14.0952 14.0952 14.2403 14.2403 15.0799 15.0799 15.8567 15.8567 16.8119 16.8119 16.9298 16.9298 k = 0.0000 0.1976 0.2604 ( 4194 PWs) bands (ev): 2.8532 2.8532 2.9904 2.9904 3.6247 3.6247 3.9408 3.9408 5.1315 5.1315 5.2720 5.2720 5.4811 5.4811 5.6349 5.6349 5.7027 5.7027 5.7314 5.7314 5.8995 5.8995 6.0499 6.0499 6.7094 6.7094 6.8966 6.8966 7.1848 7.1848 7.2687 7.2687 7.3502 7.3502 7.4145 7.4145 7.5474 7.5474 7.6422 7.6422 8.0636 8.0636 8.1113 8.1113 8.1746 8.1746 8.3423 8.3423 10.5961 10.5961 11.2084 11.2084 11.5006 11.5006 12.6384 12.6384 14.0745 14.0745 14.1680 14.1680 14.9299 14.9299 15.7050 15.7050 16.8872 16.8872 17.0067 17.0067 k = 0.0000 0.2080 0.2604 ( 4193 PWs) bands (ev): 2.9107 2.9107 3.0437 3.0437 3.5531 3.5531 3.8791 3.8791 5.1308 5.1308 5.2755 5.2755 5.4655 5.4655 5.6274 5.6274 5.6998 5.6998 5.7289 5.7289 5.8972 5.8972 6.0478 6.0478 6.7069 6.7069 6.8968 6.8968 7.1933 7.1933 7.2703 7.2703 7.3520 7.3520 7.4102 7.4102 7.5362 7.5362 7.6402 7.6402 8.0686 8.0686 8.1125 8.1125 8.1646 8.1646 8.3331 8.3331 10.7058 10.7058 11.3330 11.3330 11.4931 11.4931 12.6945 12.6945 14.0474 14.0474 14.1135 14.1135 14.7931 14.7931 15.5601 15.5601 16.9654 16.9654 17.0868 17.0868 k = 0.0000 0.2184 0.2604 ( 4199 PWs) bands (ev): 2.9699 2.9699 3.0970 3.0970 3.4837 3.4837 3.8166 3.8166 5.1306 5.1306 5.2785 5.2785 5.4520 5.4520 5.6208 5.6208 5.6974 5.6974 5.7269 5.7269 5.8955 5.8955 6.0462 6.0462 6.7051 6.7051 6.8971 6.8971 7.2014 7.2014 7.2719 7.2719 7.3524 7.3524 7.4085 7.4085 7.5251 7.5251 7.6389 7.6389 8.0739 8.0739 8.1135 8.1135 8.1552 8.1552 8.3250 8.3250 10.8016 10.8016 11.4160 11.4160 11.5141 11.5141 12.7497 12.7497 13.9992 13.9992 14.0918 14.0918 14.6731 14.6731 15.4263 15.4263 17.0457 17.0457 17.1696 17.1696 k = 0.0000 0.2288 0.2604 ( 4201 PWs) bands (ev): 3.0303 3.0303 3.1470 3.1470 3.4204 3.4204 3.7539 3.7539 5.1308 5.1308 5.2807 5.2807 5.4409 5.4409 5.6153 5.6153 5.6956 5.6956 5.7254 5.7254 5.8943 5.8943 6.0450 6.0450 6.7038 6.7038 6.8975 6.8975 7.2087 7.2087 7.2734 7.2734 7.3511 7.3511 7.4097 7.4097 7.5143 7.5143 7.6383 7.6383 8.0796 8.0796 8.1143 8.1143 8.1464 8.1464 8.3181 8.3181 10.8805 10.8805 11.4258 11.4258 11.5917 11.5917 12.8037 12.8037 13.9429 13.9429 14.0903 14.0903 14.5741 14.5741 15.3077 15.3077 17.1270 17.1270 17.2541 17.2541 k = 0.0000 0.2392 0.2604 ( 4201 PWs) bands (ev): 3.0899 3.0899 3.1843 3.1843 3.3738 3.3738 3.6918 3.6918 5.1312 5.1312 5.2822 5.2822 5.4323 5.4323 5.6111 5.6111 5.6941 5.6941 5.7242 5.7242 5.8935 5.8935 6.0442 6.0442 6.7030 6.7030 6.8980 6.8980 7.2149 7.2149 7.2747 7.2747 7.3488 7.3488 7.4132 7.4132 7.5042 7.5042 7.6383 7.6383 8.0856 8.0856 8.1148 8.1148 8.1383 8.1383 8.3127 8.3127 10.9395 10.9395 11.4131 11.4131 11.6716 11.6716 12.8562 12.8562 13.8883 13.8883 14.0981 14.0981 14.5004 14.5004 15.2084 15.2084 17.2080 17.2080 17.3380 17.3380 k = 0.0000 0.2496 0.2604 ( 4200 PWs) bands (ev): 3.1376 3.1376 3.1960 3.1960 3.3673 3.3673 3.6316 3.6316 5.1319 5.1319 5.2828 5.2828 5.4263 5.4263 5.6081 5.6081 5.6930 5.6930 5.7234 5.7234 5.8930 5.8930 6.0437 6.0437 6.7028 6.7028 6.8985 6.8985 7.2196 7.2196 7.2756 7.2756 7.3466 7.3466 7.4179 7.4179 7.4953 7.4953 7.6389 7.6389 8.0921 8.0921 8.1146 8.1146 8.1312 8.1312 8.3089 8.3089 10.9761 10.9761 11.3956 11.3956 11.7321 11.7321 12.9072 12.9072 13.8373 13.8373 14.1116 14.1116 14.4561 14.4561 15.1332 15.1332 17.2855 17.2855 17.3919 17.3919 k = 0.0000 0.2496 0.2604 ( 4200 PWs) bands (ev): 3.1376 3.1376 3.1960 3.1960 3.3673 3.3673 3.6316 3.6316 5.1319 5.1319 5.2828 5.2828 5.4263 5.4263 5.6081 5.6081 5.6930 5.6930 5.7234 5.7234 5.8930 5.8930 6.0437 6.0437 6.7028 6.7028 6.8985 6.8985 7.2196 7.2196 7.2756 7.2756 7.3466 7.3466 7.4179 7.4179 7.4953 7.4953 7.6389 7.6389 8.0921 8.0921 8.1146 8.1146 8.1312 8.1312 8.3089 8.3089 10.9761 10.9761 11.3956 11.3956 11.7321 11.7321 12.9072 12.9072 13.8373 13.8373 14.1116 14.1116 14.4561 14.4561 15.1332 15.1332 17.2855 17.2855 17.3919 17.3919 k = 0.0000 0.2564 0.2532 ( 4198 PWs) bands (ev): 3.1705 3.1705 3.1916 3.1916 3.4126 3.4126 3.5517 3.5517 5.1323 5.1323 5.2821 5.2821 5.4239 5.4239 5.6069 5.6069 5.6912 5.6912 5.7228 5.7228 5.8924 5.8924 6.0431 6.0431 6.7043 6.7043 6.9002 6.9002 7.2240 7.2240 7.2814 7.2814 7.3431 7.3431 7.4227 7.4227 7.4851 7.4851 7.6394 7.6394 8.0995 8.0995 8.1139 8.1139 8.1218 8.1218 8.3070 8.3070 10.9864 10.9864 11.3960 11.3960 11.7608 11.7608 13.0185 13.0185 13.7269 13.7269 14.1055 14.1055 14.4459 14.4459 15.0858 15.0858 17.3596 17.3596 17.3905 17.3905 k = 0.0000 0.2631 0.2460 ( 4200 PWs) bands (ev): 3.1812 3.1812 3.1899 3.1899 3.4702 3.4702 3.4831 3.4831 5.1325 5.1325 5.2819 5.2819 5.4231 5.4231 5.6065 5.6065 5.6906 5.6906 5.7226 5.7226 5.8922 5.8922 6.0429 6.0429 6.7048 6.7048 6.9007 6.9007 7.2255 7.2255 7.2837 7.2837 7.3416 7.3416 7.4248 7.4248 7.4812 7.4812 7.6396 7.6396 8.1048 8.1048 8.1117 8.1117 8.1177 8.1177 8.3064 8.3064 10.9899 10.9899 11.3960 11.3960 11.7707 11.7707 13.0645 13.0645 13.6810 13.6810 14.1037 14.1037 14.4425 14.4425 15.0696 15.0696 17.3771 17.3771 17.4026 17.4026 k = 0.0000 0.2631 0.2460 ( 4200 PWs) bands (ev): 3.1812 3.1812 3.1899 3.1899 3.4702 3.4702 3.4831 3.4831 5.1325 5.1325 5.2819 5.2819 5.4231 5.4231 5.6065 5.6065 5.6906 5.6906 5.7226 5.7226 5.8922 5.8922 6.0429 6.0429 6.7048 6.7048 6.9007 6.9007 7.2255 7.2255 7.2837 7.2837 7.3416 7.3416 7.4248 7.4248 7.4812 7.4812 7.6396 7.6396 8.1048 8.1048 8.1117 8.1117 8.1177 8.1177 8.3064 8.3064 10.9899 10.9899 11.3960 11.3960 11.7707 11.7707 13.0645 13.0645 13.6810 13.6810 14.1037 14.1037 14.4425 14.4425 15.0696 15.0696 17.3771 17.3771 17.4026 17.4026 k = 0.0104 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.1821 3.1821 3.1915 3.1915 3.4716 3.4716 3.4841 3.4841 5.1331 5.1331 5.2825 5.2825 5.4236 5.4236 5.6067 5.6067 5.6907 5.6907 5.7228 5.7228 5.8923 5.8923 6.0428 6.0428 6.7045 6.7045 6.8997 6.8997 7.2242 7.2242 7.2839 7.2839 7.3405 7.3405 7.4258 7.4258 7.4811 7.4811 7.6397 7.6397 8.1026 8.1026 8.1075 8.1075 8.1229 8.1229 8.3060 8.3060 10.9928 10.9928 11.3985 11.3985 11.7730 11.7730 13.0661 13.0661 13.6822 13.6822 14.1045 14.1045 14.4425 14.4425 15.0695 15.0695 17.3321 17.3321 17.3940 17.3940 k = 0.0208 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.1850 3.1850 3.1964 3.1964 3.4760 3.4760 3.4873 3.4873 5.1351 5.1351 5.2844 5.2844 5.4251 5.4251 5.6073 5.6073 5.6911 5.6911 5.7236 5.7236 5.8927 5.8927 6.0426 6.0426 6.7036 6.7036 6.8966 6.8966 7.2204 7.2204 7.2846 7.2846 7.3372 7.3372 7.4286 7.4286 7.4809 7.4809 7.6399 7.6399 8.0949 8.0949 8.1047 8.1047 8.1297 8.1297 8.3048 8.3048 11.0014 11.0014 11.4063 11.4063 11.7800 11.7800 13.0708 13.0708 13.6855 13.6855 14.1069 14.1069 14.4424 14.4424 15.0692 15.0692 17.2311 17.2311 17.3496 17.3496 k = 0.0312 0.2631 0.2460 ( 4198 PWs) bands (ev): 3.1899 3.1899 3.2043 3.2043 3.4832 3.4832 3.4925 3.4925 5.1383 5.1383 5.2875 5.2875 5.4275 5.4275 5.6082 5.6082 5.6917 5.6917 5.7248 5.7248 5.8934 5.8934 6.0423 6.0423 6.7021 6.7021 6.8914 6.8914 7.2143 7.2143 7.2853 7.2853 7.3323 7.3323 7.4330 7.4330 7.4805 7.4805 7.6404 7.6404 8.0853 8.0853 8.1022 8.1022 8.1359 8.1359 8.3029 8.3029 11.0157 11.0157 11.4190 11.4190 11.7914 11.7914 13.0785 13.0785 13.6910 13.6910 14.1109 14.1109 14.4421 14.4421 15.0686 15.0686 17.0954 17.0954 17.2720 17.2720 k = 0.0417 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.1969 3.1969 3.2153 3.2153 3.4933 3.4933 3.4999 3.4999 5.1428 5.1428 5.2918 5.2918 5.4309 5.4309 5.6094 5.6094 5.6925 5.6925 5.7267 5.7267 5.8943 5.8943 6.0418 6.0418 6.6999 6.6999 6.8845 6.8845 7.2064 7.2064 7.2855 7.2855 7.3263 7.3263 7.4385 7.4385 7.4800 7.4800 7.6411 7.6411 8.0749 8.0749 8.0988 8.0988 8.1414 8.1414 8.3003 8.3003 11.0353 11.0353 11.4368 11.4368 11.8072 11.8072 13.0893 13.0893 13.6986 13.6986 14.1164 14.1164 14.4417 14.4417 15.0676 15.0676 16.9377 16.9377 17.1668 17.1668 k = 0.0521 0.2631 0.2460 ( 4194 PWs) bands (ev): 3.2059 3.2059 3.2293 3.2293 3.5059 3.5059 3.5096 3.5096 5.1484 5.1484 5.2972 5.2972 5.4351 5.4351 5.6108 5.6108 5.6937 5.6937 5.7292 5.7292 5.8954 5.8954 6.0412 6.0412 6.6971 6.6971 6.8759 6.8759 7.1971 7.1971 7.2840 7.2840 7.3205 7.3205 7.4446 7.4446 7.4793 7.4793 7.6421 7.6421 8.0641 8.0641 8.0947 8.0947 8.1461 8.1461 8.2971 8.2971 11.0600 11.0600 11.4595 11.4595 11.8271 11.8271 13.1032 13.1032 13.7083 13.7083 14.1235 14.1235 14.4411 14.4411 15.0662 15.0662 16.7668 16.7668 17.0378 17.0378 k = 0.0625 0.2631 0.2460 ( 4190 PWs) bands (ev): 3.2169 3.2169 3.2462 3.2462 3.5196 3.5196 3.5230 3.5230 5.1553 5.1553 5.3037 5.3037 5.4402 5.4402 5.6123 5.6123 5.6953 5.6953 5.7324 5.7324 5.8968 5.8968 6.0404 6.0404 6.6937 6.6937 6.8659 6.8659 7.1868 7.1868 7.2794 7.2794 7.3164 7.3164 7.4511 7.4511 7.4786 7.4786 7.6436 7.6436 8.0530 8.0530 8.0897 8.0897 8.1501 8.1501 8.2935 8.2935 11.0896 11.0896 11.4870 11.4870 11.8510 11.8510 13.1200 13.1200 13.7199 13.7199 14.1319 14.1319 14.4401 14.4401 15.0641 15.0641 16.5886 16.5886 16.8881 16.8881 k = 0.0729 0.2631 0.2460 ( 4184 PWs) bands (ev): 3.2298 3.2298 3.2661 3.2661 3.5333 3.5333 3.5412 3.5412 5.1632 5.1632 5.3114 5.3114 5.4459 5.4459 5.6139 5.6139 5.6972 5.6972 5.7363 5.7363 5.8984 5.8984 6.0395 6.0395 6.6896 6.6896 6.8548 6.8548 7.1757 7.1757 7.2709 7.2709 7.3147 7.3147 7.4576 7.4576 7.4777 7.4777 7.6457 7.6457 8.0418 8.0418 8.0840 8.0840 8.1535 8.1535 8.2895 8.2895 11.1236 11.1236 11.5191 11.5191 11.8783 11.8783 13.1398 13.1398 13.7333 13.7333 14.1417 14.1417 14.4385 14.4385 15.0611 15.0611 16.4066 16.4066 16.7243 16.7243 k = 0.0833 0.2631 0.2460 ( 4192 PWs) bands (ev): 3.2447 3.2447 3.2889 3.2889 3.5485 3.5485 3.5624 3.5624 5.1722 5.1722 5.3200 5.3200 5.4523 5.4523 5.6154 5.6154 5.6996 5.6996 5.7412 5.7412 5.9003 5.9003 6.0383 6.0383 6.6848 6.6848 6.8429 6.8429 7.1644 7.1644 7.2593 7.2593 7.3150 7.3150 7.4637 7.4637 7.4769 7.4769 7.6484 7.6484 8.0306 8.0306 8.0776 8.0776 8.1562 8.1562 8.2852 8.2852 11.1615 11.1615 11.5556 11.5556 11.9088 11.9088 13.1623 13.1623 13.7482 13.7482 14.1528 14.1528 14.4362 14.4362 15.0569 15.0569 16.2234 16.2234 16.5544 16.5544 k = 0.0938 0.2631 0.2460 ( 4192 PWs) bands (ev): 3.2614 3.2614 3.3145 3.3145 3.5656 3.5656 3.5863 3.5863 5.1821 5.1821 5.3295 5.3295 5.4591 5.4591 5.6166 5.6166 5.7025 5.7025 5.7470 5.7470 5.9023 5.9023 6.0370 6.0370 6.6793 6.6793 6.8305 6.8305 7.1530 7.1530 7.2455 7.2455 7.3162 7.3162 7.4687 7.4687 7.4768 7.4768 7.6521 7.6521 8.0196 8.0196 8.0706 8.0706 8.1583 8.1583 8.2808 8.2808 11.2028 11.2028 11.5964 11.5964 11.9420 11.9420 13.1877 13.1877 13.7646 13.7646 14.1648 14.1648 14.4327 14.4327 15.0508 15.0508 16.0410 16.0410 16.3826 16.3826 k = 0.1042 0.2631 0.2460 ( 4196 PWs) bands (ev): 3.2800 3.2800 3.3429 3.3429 3.5844 3.5844 3.6128 3.6128 5.1929 5.1929 5.3398 5.3398 5.4662 5.4662 5.6176 5.6176 5.7060 5.7060 5.7538 5.7538 5.9045 5.9045 6.0355 6.0355 6.6731 6.6731 6.8178 6.8178 7.1418 7.1418 7.2303 7.2303 7.3177 7.3177 7.4703 7.4703 7.4796 7.4796 7.6569 7.6569 8.0088 8.0088 8.0630 8.0630 8.1599 8.1599 8.2765 8.2765 11.2469 11.2469 11.6412 11.6412 11.9773 11.9773 13.2157 13.2157 13.7819 13.7819 14.1777 14.1777 14.4277 14.4277 15.0420 15.0420 15.8605 15.8605 16.2105 16.2105 k = 0.1146 0.2631 0.2460 ( 4194 PWs) bands (ev): 3.3002 3.3002 3.3740 3.3740 3.6048 3.6048 3.6419 3.6419 5.2044 5.2044 5.3508 5.3508 5.4734 5.4734 5.6182 5.6182 5.7102 5.7102 5.7618 5.7618 5.9069 5.9069 6.0338 6.0338 6.6664 6.6664 6.8053 6.8053 7.1311 7.1311 7.2144 7.2144 7.3192 7.3192 7.4689 7.4689 7.4847 7.4847 7.6628 7.6628 7.9983 7.9983 8.0549 8.0549 8.1611 8.1611 8.2722 8.2722 11.2932 11.2932 11.6898 11.6898 12.0142 12.0142 13.2462 13.2462 13.7997 13.7997 14.1911 14.1911 14.4205 14.4205 15.0293 15.0293 15.6834 15.6834 16.0383 16.0383 k = 0.1250 0.2631 0.2460 ( 4194 PWs) bands (ev): 3.3221 3.3221 3.4077 3.4077 3.6269 3.6269 3.6733 3.6733 5.2165 5.2165 5.3623 5.3623 5.4804 5.4804 5.6183 5.6183 5.7152 5.7152 5.7709 5.7709 5.9095 5.9095 6.0319 6.0319 6.6592 6.6592 6.7932 6.7932 7.1210 7.1210 7.1982 7.1982 7.3204 7.3204 7.4662 7.4662 7.4906 7.4906 7.6701 7.6701 7.9883 7.9883 8.0464 8.0464 8.1619 8.1619 8.2681 8.2681 11.3408 11.3408 11.7419 11.7419 12.0518 12.0518 13.2790 13.2790 13.8175 13.8175 14.2046 14.2046 14.4100 14.4100 15.0107 15.0107 15.5106 15.5106 15.8658 15.8658 k = 0.1354 0.2631 0.2460 ( 4184 PWs) bands (ev): 3.3455 3.3455 3.4440 3.4440 3.6505 3.6505 3.7071 3.7071 5.2292 5.2292 5.3741 5.3741 5.4869 5.4869 5.6179 5.6179 5.7212 5.7212 5.7813 5.7813 5.9124 5.9124 6.0300 6.0300 6.6516 6.6516 6.7819 6.7819 7.1117 7.1117 7.1821 7.1821 7.3213 7.3213 7.4626 7.4626 7.4969 7.4969 7.6785 7.6785 7.9788 7.9788 8.0377 8.0377 8.1624 8.1624 8.2643 8.2643 11.3890 11.3890 11.7972 11.7972 12.0894 12.0894 13.3140 13.3140 13.8345 13.8345 14.2177 14.2177 14.3949 14.3949 14.9833 14.9833 15.3435 15.3435 15.6946 15.6946 k = 0.1458 0.2631 0.2460 ( 4178 PWs) bands (ev): 3.3704 3.3704 3.4826 3.4826 3.6754 3.6754 3.7431 3.7431 5.2422 5.2422 5.3862 5.3862 5.4927 5.4927 5.6168 5.6168 5.7283 5.7283 5.7928 5.7928 5.9156 5.9156 6.0280 6.0280 6.6439 6.6439 6.7715 6.7715 7.1033 7.1033 7.1667 7.1667 7.3218 7.3218 7.4583 7.4583 7.5036 7.5036 7.6883 7.6883 7.9698 7.9698 8.0287 8.0287 8.1626 8.1626 8.2607 8.2607 11.4367 11.4367 11.8556 11.8556 12.1259 12.1259 13.3508 13.3508 13.8497 13.8497 14.2297 14.2297 14.3731 14.3731 14.9427 14.9427 15.1832 15.1832 15.5282 15.5282 k = 0.1562 0.2631 0.2460 ( 4170 PWs) bands (ev): 3.3967 3.3967 3.5236 3.5236 3.7017 3.7017 3.7811 3.7811 5.2554 5.2554 5.3981 5.3981 5.4974 5.4974 5.6150 5.6150 5.7366 5.7366 5.8055 5.8055 5.9193 5.9193 6.0260 6.0260 6.6364 6.6364 6.7623 6.7623 7.0956 7.0956 7.1524 7.1524 7.3220 7.3220 7.4534 7.4534 7.5109 7.5109 7.6991 7.6991 7.9614 7.9614 8.0196 8.0196 8.1627 8.1627 8.2576 8.2576 11.4829 11.4829 11.9165 11.9165 12.1602 12.1602 13.3891 13.3891 13.8616 13.8616 14.2397 14.2397 14.3417 14.3417 14.8830 14.8830 15.0315 15.0315 15.3719 15.3719 k = 0.1667 0.2631 0.2460 ( 4166 PWs) bands (ev): 3.4243 3.4243 3.5668 3.5668 3.7292 3.7292 3.8211 3.8211 5.2688 5.2688 5.4097 5.4097 5.5006 5.5006 5.6124 5.6124 5.7462 5.7462 5.8193 5.8193 5.9234 5.9234 6.0244 6.0244 6.6294 6.6294 6.7545 6.7545 7.0886 7.0886 7.1398 7.1398 7.3219 7.3219 7.4479 7.4479 7.5189 7.5189 7.7111 7.7111 7.9536 7.9536 8.0105 8.0105 8.1627 8.1627 8.2549 8.2549 11.5262 11.5262 11.9797 11.9797 12.1909 12.1909 13.4283 13.4283 13.8689 13.8689 14.2460 14.2460 14.2975 14.2975 14.7987 14.7987 14.8903 14.8903 15.2323 15.2323 k = 0.1771 0.2631 0.2460 ( 4168 PWs) bands (ev): 3.4531 3.4531 3.6120 3.6120 3.7578 3.7578 3.8629 3.8629 5.2821 5.2821 5.4206 5.4206 5.5022 5.5022 5.6091 5.6091 5.7571 5.7571 5.8341 5.8341 5.9282 5.9282 6.0232 6.0232 6.6231 6.6231 6.7482 6.7482 7.0820 7.0820 7.1297 7.1297 7.3216 7.3216 7.4421 7.4421 7.5277 7.5277 7.7239 7.7239 7.9464 7.9464 8.0016 8.0016 8.1626 8.1626 8.2525 8.2525 11.5653 11.5653 12.0445 12.0445 12.2163 12.2163 13.4673 13.4673 13.8700 13.8700 14.2308 14.2308 14.2522 14.2522 14.6898 14.6898 14.7608 14.7608 15.1160 15.1160 k = 0.1875 0.2631 0.2460 ( 4168 PWs) bands (ev): 3.4830 3.4830 3.6591 3.6591 3.7873 3.7873 3.9062 3.9062 5.2952 5.2952 5.4305 5.4305 5.5019 5.5019 5.6049 5.6049 5.7693 5.7693 5.8497 5.8497 5.9339 5.9339 6.0229 6.0229 6.6179 6.6179 6.7435 6.7435 7.0758 7.0758 7.1225 7.1225 7.3212 7.3212 7.4361 7.4361 7.5372 7.5372 7.7374 7.7374 7.9398 7.9398 7.9929 7.9929 8.1625 8.1625 8.2506 8.2506 11.5983 11.5983 12.1104 12.1104 12.2346 12.2346 13.5044 13.5044 13.8638 13.8638 14.1512 14.1512 14.2416 14.2416 14.5620 14.5620 14.6488 14.6488 15.0265 15.0265 k = 0.1979 0.2631 0.2460 ( 4170 PWs) bands (ev): 3.5138 3.5138 3.7079 3.7079 3.8177 3.8177 3.9510 3.9510 5.3080 5.3080 5.4388 5.4388 5.4998 5.4998 5.6000 5.6000 5.7826 5.7826 5.8656 5.8656 5.9408 5.9408 6.0240 6.0240 6.6142 6.6142 6.7405 6.7405 7.0701 7.0701 7.1185 7.1185 7.3210 7.3210 7.4302 7.4302 7.5476 7.5476 7.7515 7.7515 7.9338 7.9338 7.9847 7.9847 8.1624 8.1624 8.2491 8.2491 11.6236 11.6236 12.1762 12.1762 12.2439 12.2439 13.5362 13.5362 13.8507 13.8507 14.0498 14.0498 14.2178 14.2178 14.4217 14.4217 14.5681 14.5681 14.9626 14.9626 k = 0.2083 0.2631 0.2460 ( 4162 PWs) bands (ev): 3.5456 3.5456 3.7581 3.7581 3.8489 3.8489 3.9970 3.9970 5.3203 5.3203 5.4448 5.4448 5.4964 5.4964 5.5941 5.5941 5.7967 5.7967 5.8814 5.8814 5.9494 5.9494 6.0269 6.0269 6.6121 6.6121 6.7393 6.7393 7.0654 7.0654 7.1175 7.1175 7.3209 7.3209 7.4245 7.4245 7.5587 7.5587 7.7660 7.7660 7.9283 7.9283 7.9772 7.9772 8.1625 8.1625 8.2480 8.2480 11.6391 11.6391 12.2310 12.2310 12.2518 12.2518 13.5548 13.5548 13.8320 13.8320 13.9350 13.9350 14.1730 14.1730 14.2833 14.2833 14.5257 14.5257 14.9201 14.9201 k = 0.2188 0.2631 0.2460 ( 4162 PWs) bands (ev): 3.5781 3.5781 3.8096 3.8096 3.8807 3.8807 4.0440 4.0440 5.3320 5.3320 5.4471 5.4471 5.4927 5.4927 5.5874 5.5874 5.8114 5.8114 5.8961 5.8961 5.9602 5.9602 6.0325 6.0325 6.6120 6.6120 6.7398 6.7398 7.0623 7.0623 7.1194 7.1194 7.3213 7.3213 7.4193 7.4193 7.5708 7.5708 7.7807 7.7807 7.9233 7.9233 7.9706 7.9706 8.1628 8.1628 8.2474 8.2474 11.6430 11.6430 12.2211 12.2211 12.3078 12.3078 13.5431 13.5431 13.7996 13.7996 13.8311 13.8311 14.1017 14.1017 14.1759 14.1759 14.5158 14.5158 14.8942 14.8942 k = 0.2292 0.2631 0.2460 ( 4154 PWs) bands (ev): 3.6113 3.6113 3.8620 3.8620 3.9132 3.9132 4.0917 4.0917 5.3430 5.3430 5.4442 5.4442 5.4903 5.4903 5.5797 5.5797 5.8263 5.8263 5.9086 5.9086 5.9739 5.9739 6.0412 6.0412 6.6140 6.6140 6.7421 6.7421 7.0614 7.0614 7.1238 7.1238 7.3223 7.3223 7.4147 7.4147 7.5837 7.5837 7.7952 7.7952 7.9187 7.9187 7.9654 7.9654 8.1633 8.1633 8.2471 8.2471 11.6334 11.6334 12.1893 12.1893 12.3651 12.3651 13.4764 13.4764 13.7049 13.7049 13.8020 13.8020 14.0236 14.0236 14.1161 14.1161 14.5274 14.5274 14.8806 14.8806 k = 0.2396 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.6450 3.6450 3.9147 3.9147 3.9466 3.9466 4.1398 4.1398 5.3529 5.3529 5.4356 5.4356 5.4899 5.4899 5.5709 5.5709 5.8412 5.8412 5.9186 5.9186 5.9904 5.9904 6.0537 6.0537 6.6184 6.6184 6.7462 6.7462 7.0632 7.0632 7.1304 7.1304 7.3240 7.3240 7.4111 7.4111 7.5974 7.5974 7.8093 7.8093 7.9145 7.9145 7.9620 7.9620 8.1642 8.1642 8.2474 8.2474 11.6093 11.6093 12.1406 12.1406 12.4129 12.4129 13.3573 13.3573 13.5985 13.5985 13.7897 13.7897 13.9857 13.9857 14.0840 14.0840 14.5523 14.5523 14.8762 14.8762 k = 0.2500 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.6792 3.6792 3.9652 3.9652 3.9829 3.9829 4.1882 4.1882 5.3614 5.3614 5.4227 5.4227 5.4906 5.4906 5.5610 5.5610 5.8557 5.8557 5.9264 5.9264 6.0092 6.0092 6.0703 6.0703 6.6252 6.6252 6.7521 6.7521 7.0680 7.0680 7.1391 7.1391 7.3266 7.3266 7.4086 7.4086 7.6121 7.6121 7.8224 7.8224 7.9105 7.9105 7.9607 7.9607 8.1657 8.1657 8.2481 8.2481 11.5699 11.5699 12.0754 12.0754 12.4434 12.4434 13.2118 13.2118 13.4875 13.4875 13.7870 13.7870 13.9824 13.9824 14.0775 14.0775 14.5860 14.5860 14.8789 14.8789 k = 0.2604 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.7137 3.7137 4.0059 4.0059 4.0295 4.0295 4.2364 4.2364 5.3672 5.3672 5.4081 5.4081 5.4914 5.4914 5.5501 5.5501 5.8697 5.8697 5.9326 5.9326 6.0295 6.0295 6.0907 6.0907 6.6346 6.6346 6.7597 6.7597 7.0759 7.0759 7.1499 7.1499 7.3302 7.3302 7.4075 7.4075 7.6277 7.6277 7.8342 7.8342 7.9070 7.9070 7.9621 7.9621 8.1680 8.1680 8.2494 8.2494 11.5154 11.5154 11.9950 11.9950 12.4458 12.4458 13.0555 13.0555 13.3913 13.3913 13.7953 13.7953 13.9923 13.9923 14.0978 14.0978 14.6261 14.6261 14.8872 14.8872 k = 0.2708 0.2631 0.2460 ( 4138 PWs) bands (ev): 3.7485 3.7485 4.0404 4.0404 4.0824 4.0824 4.2841 4.2841 5.3658 5.3658 5.3971 5.3971 5.4916 5.4916 5.5383 5.5383 5.8831 5.8831 5.9380 5.9380 6.0507 6.0507 6.1144 6.1144 6.6467 6.6467 6.7693 6.7693 7.0869 7.0869 7.1625 7.1625 7.3349 7.3349 7.4082 7.4082 7.6443 7.6443 7.8442 7.8442 7.9041 7.9041 7.9663 7.9663 8.1713 8.1713 8.2512 8.2512 11.4466 11.4466 11.9011 11.9011 12.4088 12.4088 12.8932 12.8932 13.3298 13.3298 13.8149 13.8149 14.0098 14.0098 14.1382 14.1382 14.6709 14.6709 14.9002 14.9002 k = 0.2812 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.7835 3.7835 4.0737 4.0737 4.1362 4.1362 4.3309 4.3309 5.3520 5.3520 5.3953 5.3953 5.4911 5.4911 5.5258 5.5258 5.8956 5.8956 5.9429 5.9429 6.0724 6.0724 6.1405 6.1405 6.6616 6.6616 6.7808 6.7808 7.1006 7.1006 7.1770 7.1770 7.3408 7.3408 7.4110 7.4110 7.6619 7.6619 7.8522 7.8522 7.9023 7.9023 7.9729 7.9729 8.1760 8.1760 8.2539 8.2539 11.3651 11.3651 11.7958 11.7958 12.3288 12.3288 12.7266 12.7266 13.3119 13.3119 13.8453 13.8453 14.0365 14.0365 14.1902 14.1902 14.7196 14.7196 14.9173 14.9173 k = 0.2917 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.8185 3.8185 4.1064 4.1064 4.1896 4.1896 4.3765 4.3765 5.3315 5.3315 5.3973 5.3973 5.4895 5.4895 5.5134 5.5134 5.9074 5.9074 5.9479 5.9479 6.0946 6.0946 6.1682 6.1682 6.6792 6.6792 6.7945 6.7945 7.1168 7.1168 7.1933 7.1933 7.3480 7.3480 7.4164 7.4164 7.6804 7.6804 7.8583 7.8583 7.9020 7.9020 7.9814 7.9814 8.1827 8.1827 8.2574 8.2574 11.2724 11.2724 11.6813 11.6813 12.2135 12.2135 12.5566 12.5566 13.3326 13.3326 13.8856 13.8856 14.0728 14.0728 14.2492 14.2492 14.7714 14.7714 14.9384 14.9384 k = 0.3021 0.2631 0.2460 ( 4148 PWs) bands (ev): 3.8536 3.8536 4.1387 4.1387 4.2422 4.2422 4.4203 4.4203 5.3086 5.3086 5.3989 5.3989 5.4864 5.4864 5.5022 5.5022 5.9182 5.9182 5.9531 5.9531 6.1170 6.1170 6.1964 6.1964 6.6995 6.6995 6.8106 6.8106 7.1347 7.1347 7.2109 7.2109 7.3566 7.3566 7.4249 7.4249 7.6998 7.6998 7.8628 7.8628 7.9037 7.9037 7.9910 7.9910 8.1920 8.1920 8.2620 8.2620 11.1705 11.1705 11.5596 11.5596 12.0748 12.0748 12.3843 12.3843 13.3806 13.3806 13.9344 13.9344 14.1182 14.1182 14.3126 14.3126 14.8257 14.8257 14.9634 14.9634 k = 0.3125 0.2631 0.2460 ( 4152 PWs) bands (ev): 3.8885 3.8885 4.1707 4.1707 4.2936 4.2936 4.4621 4.4621 5.2848 5.2848 5.3983 5.3983 5.4809 5.4809 5.4941 5.4941 5.9281 5.9281 5.9587 5.9587 6.1394 6.1394 6.2244 6.2244 6.7226 6.7226 6.8293 6.8293 7.1536 7.1536 7.2295 7.2295 7.3671 7.3671 7.4368 7.4368 7.7200 7.7200 7.8664 7.8664 7.9078 7.9078 8.0004 8.0004 8.2045 8.2045 8.2680 8.2680 11.0611 11.0611 11.4325 11.4325 11.9222 11.9222 12.2109 12.2109 13.4465 13.4465 13.9906 13.9906 14.1715 14.1715 14.3792 14.3792 14.8815 14.8815 14.9927 14.9927 k = 0.3229 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.9233 3.9233 4.2022 4.2022 4.3432 4.3432 4.5012 4.5012 5.2608 5.2608 5.3945 5.3945 5.4741 5.4741 5.4890 5.4890 5.9371 5.9371 5.9648 5.9648 6.1617 6.1617 6.2514 6.2514 6.7481 6.7481 6.8507 6.8507 7.1730 7.1730 7.2482 7.2482 7.3799 7.3799 7.4525 7.4525 7.7406 7.7406 7.8701 7.8701 7.9146 7.9146 8.0091 8.0091 8.2208 8.2208 8.2758 8.2758 10.9459 10.9459 11.3013 11.3013 11.7620 11.7620 12.0374 12.0374 13.5240 13.5240 14.0529 14.0529 14.2314 14.2314 14.4482 14.4482 14.9375 14.9375 15.0273 15.0273 k = 0.3333 0.2631 0.2460 ( 4152 PWs) bands (ev): 3.9580 3.9580 4.2332 4.2332 4.3907 4.3907 4.5372 4.5372 5.2374 5.2374 5.3871 5.3871 5.4683 5.4683 5.4854 5.4854 5.9451 5.9451 5.9713 5.9713 6.1836 6.1836 6.2769 6.2769 6.7760 6.7760 6.8749 6.8749 7.1923 7.1923 7.2658 7.2658 7.3958 7.3958 7.4718 7.4718 7.7612 7.7612 7.8747 7.8747 7.9247 7.9247 8.0165 8.0165 8.2410 8.2410 8.2862 8.2862 10.8262 10.8262 11.1674 11.1674 11.5979 11.5979 11.8644 11.8644 13.6093 13.6093 14.1203 14.1203 14.2971 14.2971 14.5191 14.5191 14.9914 14.9914 15.0688 15.0688 k = 0.3438 0.2631 0.2460 ( 4150 PWs) bands (ev): 3.9923 3.9923 4.2637 4.2637 4.4355 4.4355 4.5696 4.5696 5.2150 5.2150 5.3764 5.3764 5.4644 5.4644 5.4823 5.4823 5.9524 5.9524 5.9781 5.9781 6.2049 6.2049 6.3004 6.3004 6.8058 6.8058 6.9019 6.9019 7.2114 7.2114 7.2815 7.2815 7.4147 7.4147 7.4949 7.4949 7.7814 7.7814 7.8806 7.8806 7.9385 7.9385 8.0231 8.0231 8.2646 8.2646 8.3005 8.3005 10.7033 10.7033 11.0318 11.0318 11.4322 11.4322 11.6926 11.6926 13.7000 13.7000 14.1917 14.1917 14.3675 14.3675 14.5914 14.5914 15.0414 15.0414 15.1189 15.1189 k = 0.3542 0.2631 0.2460 ( 4138 PWs) bands (ev): 4.0264 4.0264 4.2936 4.2936 4.4772 4.4772 4.5979 4.5979 5.1942 5.1942 5.3636 5.3636 5.4617 5.4617 5.4798 5.4798 5.9592 5.9592 5.9849 5.9849 6.2254 6.2254 6.3216 6.3216 6.8370 6.8370 6.9315 6.9315 7.2298 7.2298 7.2954 7.2954 7.4360 7.4360 7.5210 7.5210 7.8007 7.8007 7.8882 7.8882 7.9561 7.9561 8.0302 8.0302 8.2894 8.2894 8.3215 8.3215 10.5783 10.5783 10.8953 10.8953 11.2663 11.2663 11.5225 11.5225 13.7946 13.7946 14.2662 14.2662 14.4419 14.4419 14.6650 14.6650 15.0876 15.0876 15.1768 15.1768 k = 0.3646 0.2631 0.2460 ( 4140 PWs) bands (ev): 4.0602 4.0602 4.3230 4.3230 4.5152 4.5152 4.6218 4.6218 5.1756 5.1756 5.3495 5.3495 5.4595 5.4595 5.4778 5.4778 5.9656 5.9656 5.9916 5.9916 6.2451 6.2451 6.3403 6.3403 6.8691 6.8691 6.9633 6.9633 7.2474 7.2474 7.3079 7.3079 7.4588 7.4588 7.5491 7.5491 7.8189 7.8189 7.8977 7.8977 7.9751 7.9751 8.0419 8.0419 8.3133 8.3133 8.3517 8.3517 10.4521 10.4521 10.7587 10.7587 11.1012 11.1012 11.3544 11.3544 13.8919 13.8919 14.3432 14.3432 14.5197 14.5197 14.7394 14.7394 15.1322 15.1322 15.2396 15.2396 k = 0.3750 0.2631 0.2460 ( 4146 PWs) bands (ev): 4.0937 4.0937 4.3517 4.3517 4.5486 4.5486 4.6413 4.6413 5.1596 5.1596 5.3352 5.3352 5.4575 5.4575 5.4765 5.4765 5.9717 5.9717 5.9981 5.9981 6.2638 6.2638 6.3564 6.3564 6.9013 6.9013 6.9968 6.9968 7.2636 7.2636 7.3202 7.3202 7.4820 7.4820 7.5777 7.5777 7.8356 7.8356 7.9097 7.9097 7.9913 7.9913 8.0644 8.0644 8.3378 8.3378 8.3904 8.3904 10.3253 10.3253 10.6226 10.6226 10.9379 10.9379 11.1886 11.1886 13.9912 13.9912 14.4218 14.4218 14.6002 14.6002 14.8145 14.8145 15.1770 15.1770 15.3048 15.3048 k = 0.3854 0.2631 0.2460 ( 4148 PWs) bands (ev): 4.1267 4.1267 4.3798 4.3798 4.5764 4.5764 4.6564 4.6564 5.1468 5.1468 5.3210 5.3210 5.4554 5.4554 5.4757 5.4757 5.9776 5.9776 6.0041 6.0041 6.2815 6.2815 6.3700 6.3700 6.9329 6.9329 7.0311 7.0311 7.2782 7.2782 7.3331 7.3331 7.5053 7.5053 7.6049 7.6049 7.8493 7.8493 7.9234 7.9234 8.0054 8.0054 8.1003 8.1003 8.3653 8.3653 8.4357 8.4357 10.1989 10.1989 10.4877 10.4877 10.7769 10.7769 11.0254 11.0254 14.0918 14.0918 14.5014 14.5014 14.6829 14.6829 14.8899 14.8899 15.2228 15.2228 15.3705 15.3705 k = 0.3958 0.2631 0.2460 ( 4144 PWs) bands (ev): 4.1595 4.1595 4.4072 4.4072 4.5975 4.5975 4.6681 4.6681 5.1375 5.1375 5.3073 5.3073 5.4534 5.4534 5.4751 5.4751 5.9834 5.9834 6.0096 6.0096 6.2980 6.2980 6.3813 6.3813 6.9632 6.9632 7.0650 7.0650 7.2914 7.2914 7.3470 7.3470 7.5281 7.5281 7.6296 7.6296 7.8589 7.8589 7.9345 7.9345 8.0265 8.0265 8.1471 8.1471 8.3973 8.3973 8.4866 8.4866 10.0734 10.0734 10.3545 10.3545 10.6188 10.6188 10.8653 10.8653 14.1930 14.1930 14.5812 14.5812 14.7673 14.7673 14.9654 14.9654 15.2698 15.2698 15.4350 15.4350 k = 0.4062 0.2631 0.2460 ( 4140 PWs) bands (ev): 4.1918 4.1918 4.4338 4.4338 4.6104 4.6104 4.6775 4.6775 5.1318 5.1318 5.2944 5.2944 5.4516 5.4516 5.4745 5.4745 5.9891 5.9891 6.0145 6.0145 6.3135 6.3135 6.3904 6.3904 6.9920 6.9920 7.0971 7.0971 7.3039 7.3039 7.3617 7.3617 7.5505 7.5505 7.6516 7.6516 7.8640 7.8640 7.9381 7.9381 8.0622 8.0622 8.2022 8.2022 8.4346 8.4346 8.5427 8.5427 9.9495 9.9495 10.2236 10.2236 10.4640 10.4640 10.7084 10.7084 14.2942 14.2942 14.6605 14.6605 14.8529 14.8529 15.0408 15.0408 15.3179 15.3179 15.4968 15.4968 k = 0.4167 0.2631 0.2460 ( 4144 PWs) bands (ev): 4.2237 4.2237 4.4596 4.4596 4.6146 4.6146 4.6854 4.6854 5.1297 5.1297 5.2821 5.2821 5.4504 5.4504 5.4739 5.4739 5.9946 5.9946 6.0187 6.0187 6.3277 6.3277 6.3976 6.3976 7.0189 7.0189 7.1255 7.1255 7.3170 7.3170 7.3763 7.3763 7.5723 7.5723 7.6713 7.6713 7.8652 7.8652 7.9347 7.9347 8.1119 8.1119 8.2643 8.2643 8.4775 8.4775 8.6035 8.6035 9.8281 9.8281 10.0957 10.0957 10.3132 10.3132 10.5550 10.5550 14.3947 14.3947 14.7380 14.7380 14.9390 14.9390 15.1155 15.1155 15.3668 15.3668 15.5541 15.5541 k = 0.4271 0.2631 0.2460 ( 4148 PWs) bands (ev): 4.2553 4.2553 4.4842 4.4842 4.6112 4.6112 4.6914 4.6914 5.1309 5.1309 5.2705 5.2705 5.4497 5.4497 5.4731 5.4731 5.9999 5.9999 6.0223 6.0223 6.3408 6.3408 6.4029 6.4029 7.0437 7.0437 7.1485 7.1485 7.3316 7.3316 7.3902 7.3902 7.5936 7.5936 7.6896 7.6896 7.8631 7.8631 7.9268 7.9268 8.1721 8.1721 8.3323 8.3323 8.5258 8.5258 8.6685 8.6685 9.7101 9.7101 9.9719 9.9719 10.1669 10.1669 10.4057 10.4057 14.4938 14.4938 14.8124 14.8124 15.0250 15.0250 15.1889 15.1889 15.4160 15.4160 15.6050 15.6050 k = 0.4375 0.2631 0.2460 ( 4134 PWs) bands (ev): 4.2863 4.2863 4.5072 4.5072 4.6023 4.6023 4.6944 4.6944 5.1350 5.1350 5.2593 5.2593 5.4497 5.4497 5.4720 5.4720 6.0050 6.0050 6.0252 6.0252 6.3528 6.3528 6.4066 6.4066 7.0665 7.0665 7.1652 7.1652 7.3479 7.3479 7.4026 7.4026 7.6146 7.6146 7.7072 7.7072 7.8578 7.8578 7.9165 7.9165 8.2400 8.2400 8.4054 8.4054 8.5786 8.5786 8.7365 8.7365 9.5973 9.5973 9.8534 9.8534 10.0258 10.0258 10.2609 10.2609 14.5905 14.5905 14.8818 14.8818 15.1099 15.1099 15.2602 15.2602 15.4648 15.4648 15.6480 15.6480 k = 0.4479 0.2631 0.2460 ( 4134 PWs) bands (ev): 4.3170 4.3170 4.5269 4.5269 4.5912 4.5912 4.6940 4.6940 5.1416 5.1416 5.2484 5.2484 5.4503 5.4503 5.4706 5.4706 6.0098 6.0098 6.0274 6.0274 6.3636 6.3636 6.4088 6.4088 7.0873 7.0873 7.1755 7.1755 7.3651 7.3651 7.4131 7.4131 7.6356 7.6356 7.7242 7.7242 7.8498 7.8498 7.9045 7.9045 8.3136 8.3136 8.4827 8.4827 8.6341 8.6341 8.8052 8.8052 9.4922 9.4922 9.7425 9.7425 9.8907 9.8907 10.1212 10.1212 14.6836 14.6836 14.9438 14.9438 15.1924 15.1924 15.3279 15.3279 15.5124 15.5124 15.6819 15.6819 k = 0.4583 0.2631 0.2460 ( 4128 PWs) bands (ev): 4.3471 4.3471 4.5371 4.5371 4.5851 4.5851 4.6899 4.6899 5.1500 5.1500 5.2375 5.2375 5.4515 5.4515 5.4689 5.4689 6.0142 6.0142 6.0287 6.0287 6.3732 6.3732 6.4096 6.4096 7.1061 7.1061 7.1803 7.1803 7.3820 7.3820 7.4212 7.4212 7.6568 7.6568 7.7403 7.7403 7.8399 7.8399 7.8916 7.8916 8.3914 8.3914 8.5629 8.5629 8.6887 8.6887 8.8698 8.8698 9.4001 9.4001 9.6431 9.6431 9.7627 9.7627 9.9874 9.9874 14.7716 14.7716 14.9950 14.9950 15.2707 15.2707 15.3893 15.3893 15.5581 15.5581 15.7061 15.7061 k = 0.4688 0.2631 0.2460 ( 4122 PWs) bands (ev): 4.3767 4.3767 4.5291 4.5291 4.5935 4.5935 4.6825 4.6825 5.1598 5.1598 5.2267 5.2267 5.4532 5.4532 5.4670 5.4670 6.0182 6.0182 6.0294 6.0294 6.3817 6.3817 6.4092 6.4092 7.1231 7.1231 7.1805 7.1805 7.3971 7.3971 7.4266 7.4266 7.6783 7.6783 7.7536 7.7536 7.8297 7.8297 7.8781 7.8781 8.4717 8.4717 8.6434 8.6434 8.7361 8.7361 8.9204 8.9204 9.3308 9.3308 9.5622 9.5622 9.6434 9.6434 9.8609 9.8609 14.8525 14.8525 15.0317 15.0317 15.3422 15.3422 15.4404 15.4404 15.6016 15.6016 15.7211 15.7211 k = 0.4792 0.2631 0.2460 ( 4118 PWs) bands (ev): 4.4056 4.4056 4.5099 4.5099 4.6097 4.6097 4.6720 4.6720 5.1705 5.1705 5.2156 5.2156 5.4553 5.4553 5.4648 5.4648 6.0217 6.0217 6.0293 6.0293 6.3891 6.3891 6.4074 6.4074 7.1380 7.1380 7.1772 7.1772 7.4097 7.4097 7.4293 7.4293 7.7000 7.7000 7.7600 7.7600 7.8237 7.8237 7.8642 7.8642 8.5524 8.5524 8.7154 8.7154 8.7706 8.7706 8.9416 8.9416 9.2996 9.2996 9.5099 9.5099 9.5377 9.5377 9.7439 9.7439 14.9238 14.9238 15.0503 15.0503 15.4038 15.4038 15.4755 15.4755 15.6424 15.6424 15.7269 15.7269 k = 0.4896 0.2631 0.2460 ( 4122 PWs) bands (ev): 4.4337 4.4337 4.4864 4.4864 4.6271 4.6271 4.6590 4.6590 5.1817 5.1817 5.2044 5.2044 5.4576 5.4576 5.4625 5.4625 6.0246 6.0246 6.0284 6.0284 6.3954 6.3954 6.4046 6.4046 7.1511 7.1511 7.1709 7.1709 7.4192 7.4192 7.4290 7.4290 7.7211 7.7211 7.7549 7.7549 7.8267 7.8267 7.8503 7.8503 8.6294 8.6294 8.7345 8.7345 8.8192 8.8192 8.9255 8.9255 9.3132 9.3132 9.4366 9.4366 9.5136 9.5136 9.6406 9.6406 14.9824 14.9824 15.0481 15.0481 15.4515 15.4515 15.4898 15.4898 15.6787 15.6787 15.7227 15.7227 k = 0.5000 0.2631 0.2460 ( 4116 PWs) bands (ev): 4.4607 4.4607 4.4607 4.4607 4.6438 4.6438 4.6438 4.6438 5.1930 5.1930 5.1930 5.1930 5.4600 5.4600 5.4600 5.4600 6.0268 6.0268 6.0268 6.0268 6.4005 6.4005 6.4005 6.4005 7.1621 7.1621 7.1621 7.1621 7.4257 7.4257 7.4257 7.4257 7.7403 7.7403 7.7403 7.7403 7.8370 7.8370 7.8370 7.8370 8.6951 8.6951 8.6951 8.6951 8.8803 8.8803 8.8803 8.8803 9.3621 9.3621 9.3621 9.3621 9.5590 9.5590 9.5590 9.5590 15.0249 15.0249 15.0249 15.0249 15.4814 15.4814 15.4814 15.4814 15.7065 15.7065 15.7065 15.7065 k = 0.5000 0.2631 0.2460 ( 4116 PWs) bands (ev): 4.4607 4.4607 4.4607 4.4607 4.6438 4.6438 4.6438 4.6438 5.1930 5.1930 5.1930 5.1930 5.4600 5.4600 5.4600 5.4600 6.0268 6.0268 6.0268 6.0268 6.4005 6.4005 6.4005 6.4005 7.1621 7.1621 7.1621 7.1621 7.4257 7.4257 7.4257 7.4257 7.7403 7.7403 7.7403 7.7403 7.8370 7.8370 7.8370 7.8370 8.6951 8.6951 8.6951 8.6951 8.8803 8.8803 8.8803 8.8803 9.3621 9.3621 9.3621 9.3621 9.5590 9.5590 9.5590 9.5590 15.0249 15.0249 15.0249 15.0249 15.4814 15.4814 15.4814 15.4814 15.7065 15.7065 15.7065 15.7065 k = 0.5000 0.2699 0.2388 ( 4116 PWs) bands (ev): 4.4581 4.4581 4.4598 4.4598 4.6454 4.6454 4.6466 4.6466 5.1878 5.1878 5.1961 5.1961 5.4558 5.4558 5.4669 5.4669 6.0260 6.0260 6.0273 6.0273 6.3952 6.3952 6.4055 6.4055 7.1610 7.1610 7.1630 7.1630 7.4207 7.4207 7.4273 7.4273 7.7386 7.7386 7.7407 7.7407 7.8329 7.8329 7.8421 7.8421 8.6577 8.6577 8.7167 8.7167 8.8586 8.8586 8.9193 8.9193 9.3585 9.3585 9.3680 9.3680 9.5574 9.5574 9.5678 9.5678 14.9879 14.9879 15.0153 15.0153 15.4696 15.4696 15.5030 15.5030 15.6963 15.6963 15.6973 15.6973 k = 0.5000 0.2766 0.2316 ( 4120 PWs) bands (ev): 4.4522 4.4522 4.4553 4.4553 4.6512 4.6512 4.6532 4.6532 5.1808 5.1808 5.1969 5.1969 5.4543 5.4543 5.4759 5.4759 6.0250 6.0250 6.0271 6.0271 6.3899 6.3899 6.4100 6.4100 7.1598 7.1598 7.1638 7.1638 7.4128 7.4128 7.4253 7.4253 7.7361 7.7361 7.7396 7.7396 7.8294 7.8294 7.8482 7.8482 8.6171 8.6171 8.7068 8.7068 8.8697 8.8697 8.9627 8.9627 9.3578 9.3578 9.3759 9.3759 9.5634 9.5634 9.5840 9.5840 14.9168 14.9168 14.9608 14.9608 15.4625 15.4625 15.5122 15.5122 15.6748 15.6748 15.6810 15.6810 k = 0.5000 0.2766 0.2316 ( 4120 PWs) bands (ev): 4.4522 4.4522 4.4553 4.4553 4.6512 4.6512 4.6532 4.6532 5.1808 5.1808 5.1969 5.1969 5.4543 5.4543 5.4759 5.4759 6.0250 6.0250 6.0271 6.0271 6.3899 6.3899 6.4100 6.4100 7.1598 7.1598 7.1638 7.1638 7.4128 7.4128 7.4253 7.4253 7.7361 7.7361 7.7396 7.7396 7.8294 7.8294 7.8482 7.8482 8.6171 8.6171 8.7068 8.7068 8.8697 8.8697 8.9627 8.9627 9.3578 9.3578 9.3759 9.3759 9.5634 9.5634 9.5840 9.5840 14.9168 14.9168 14.9608 14.9608 15.4625 15.4625 15.5122 15.5122 15.6748 15.6748 15.6810 15.6810 k = 0.5000 0.2760 0.2213 ( 4126 PWs) bands (ev): 4.4361 4.4361 4.4407 4.4407 4.6646 4.6646 4.6683 4.6683 5.1688 5.1688 5.1901 5.1901 5.4600 5.4600 5.4875 5.4875 6.0203 6.0203 6.0283 6.0283 6.3958 6.3958 6.4200 6.4200 7.1587 7.1587 7.1623 7.1623 7.4041 7.4041 7.4330 7.4330 7.7321 7.7321 7.7428 7.7428 7.8313 7.8313 7.8590 7.8590 8.5548 8.5548 8.6615 8.6615 8.9114 8.9114 9.0201 9.0201 9.3558 9.3558 9.3858 9.3858 9.5669 9.5669 9.5955 9.5955 14.7851 14.7851 14.8417 14.8417 15.4511 15.4511 15.5204 15.5204 15.7017 15.7017 15.7027 15.7027 k = 0.5000 0.2755 0.2111 ( 4128 PWs) bands (ev): 4.4153 4.4153 4.4209 4.4209 4.6830 4.6830 4.6877 4.6877 5.1540 5.1540 5.1787 5.1787 5.4696 5.4696 5.5013 5.5013 6.0149 6.0149 6.0279 6.0279 6.4068 6.4068 6.4341 6.4341 7.1532 7.1532 7.1640 7.1640 7.3945 7.3945 7.4395 7.4395 7.7258 7.7258 7.7437 7.7437 7.8365 7.8365 7.8734 7.8734 8.4943 8.4943 8.6061 8.6061 8.9643 8.9643 9.0761 9.0761 9.3574 9.3574 9.3976 9.3976 9.5737 9.5737 9.6099 9.6099 14.6309 14.6309 14.6899 14.6899 15.4144 15.4144 15.4779 15.4779 15.7401 15.7401 15.7463 15.7463 k = 0.5000 0.2749 0.2008 ( 4132 PWs) bands (ev): 4.3919 4.3919 4.3978 4.3978 4.7042 4.7042 4.7094 4.7094 5.1374 5.1374 5.1642 5.1642 5.4820 5.4820 5.5162 5.5162 6.0092 6.0092 6.0266 6.0266 6.4222 6.4222 6.4516 6.4516 7.1473 7.1473 7.1653 7.1653 7.3835 7.3835 7.4448 7.4448 7.7165 7.7165 7.7424 7.7424 7.8451 7.8451 7.8912 7.8912 8.4376 8.4376 8.5503 8.5503 9.0181 9.0181 9.1276 9.1276 9.3637 9.3637 9.4111 9.4111 9.5848 9.5848 9.6280 9.6280 14.4638 14.4638 14.5213 14.5213 15.3614 15.3614 15.4170 15.4170 15.7640 15.7640 15.7742 15.7742 k = 0.5000 0.2744 0.1906 ( 4142 PWs) bands (ev): 4.3669 4.3669 4.3729 4.3729 4.7268 4.7268 4.7321 4.7321 5.1200 5.1200 5.1479 5.1479 5.4957 5.4957 5.5312 5.5312 6.0039 6.0039 6.0251 6.0251 6.4413 6.4413 6.4716 6.4716 7.1414 7.1414 7.1664 7.1664 7.3707 7.3707 7.4485 7.4485 7.7038 7.7038 7.7390 7.7390 7.8568 7.8568 7.9117 7.9117 8.3862 8.3862 8.4975 8.4975 9.0692 9.0692 9.1714 9.1714 9.3765 9.3765 9.4258 9.4258 9.6014 9.6014 9.6504 9.6504 14.2889 14.2889 14.3434 14.3434 15.3007 15.3007 15.3501 15.3501 15.7611 15.7611 15.7704 15.7704 k = 0.5000 0.2738 0.1803 ( 4146 PWs) bands (ev): 4.3411 4.3411 4.3471 4.3471 4.7500 4.7500 4.7552 4.7552 5.1024 5.1024 5.1308 5.1308 5.5099 5.5099 5.5456 5.5456 5.9996 5.9996 6.0243 6.0243 6.4630 6.4630 6.4934 6.4934 7.1359 7.1359 7.1677 7.1677 7.3559 7.3559 7.4500 7.4500 7.6874 7.6874 7.7339 7.7339 7.8707 7.8707 7.9340 7.9340 8.3416 8.3416 8.4493 8.4493 9.1159 9.1159 9.2047 9.2047 9.3971 9.3971 9.4412 9.4412 9.6250 9.6250 9.6784 9.6784 14.1091 14.1091 14.1603 14.1603 15.2366 15.2366 15.2815 15.2815 15.7329 15.7329 15.7393 15.7393 k = 0.5000 0.2732 0.1701 ( 4148 PWs) bands (ev): 4.3150 4.3150 4.3208 4.3208 4.7730 4.7730 4.7779 4.7779 5.0853 5.0853 5.1138 5.1138 5.5236 5.5236 5.5587 5.5587 5.9968 5.9968 6.0249 6.0249 6.4864 6.4864 6.5160 6.5160 7.1309 7.1309 7.1697 7.1697 7.3389 7.3389 7.4485 7.4485 7.6677 7.6677 7.7272 7.7272 7.8860 7.8860 7.9570 7.9570 8.3054 8.3054 8.4071 8.4071 9.1572 9.1572 9.2274 9.2274 9.4243 9.4243 9.4568 9.4568 9.6565 9.6565 9.7129 9.7129 13.9267 13.9267 13.9743 13.9743 15.1712 15.1712 15.2126 15.2126 15.6877 15.6877 15.6914 15.6914 k = 0.5000 0.2727 0.1598 ( 4152 PWs) bands (ev): 4.2890 4.2890 4.2945 4.2945 4.7954 4.7954 4.7998 4.7998 5.0693 5.0693 5.0975 5.0975 5.5364 5.5364 5.5701 5.5701 5.9959 5.9959 6.0273 6.0273 6.5106 6.5106 6.5388 6.5388 7.1264 7.1264 7.1726 7.1726 7.3197 7.3197 7.4431 7.4431 7.6454 7.6454 7.7191 7.7191 7.9015 7.9015 7.9792 7.9792 8.2787 8.2787 8.3725 8.3725 9.1926 9.1926 9.2420 9.2420 9.4552 9.4552 9.4727 9.4727 9.6960 9.6960 9.7543 9.7543 13.7430 13.7430 13.7870 13.7870 15.1057 15.1057 15.1444 15.1444 15.6332 15.6332 15.6349 15.6349 k = 0.5000 0.2721 0.1496 ( 4148 PWs) bands (ev): 4.2633 4.2633 4.2685 4.2685 4.8166 4.8166 4.8203 4.8203 5.0549 5.0549 5.0827 5.0827 5.5480 5.5480 5.5796 5.5796 5.9972 5.9972 6.0321 6.0321 6.5348 6.5348 6.5610 6.5610 7.1224 7.1224 7.1767 7.1767 7.2985 7.2985 7.4325 7.4325 7.6219 7.6219 7.7097 7.7097 7.9158 7.9158 7.9991 7.9991 8.2627 8.2627 8.3469 8.3469 9.2225 9.2225 9.2513 9.2513 9.4868 9.4868 9.4893 9.4893 9.7428 9.7428 9.8025 9.8025 13.5592 13.5592 13.5997 13.5997 15.0406 15.0406 15.0770 15.0770 15.5744 15.5744 15.5748 15.5748 k = 0.5000 0.2715 0.1393 ( 4160 PWs) bands (ev): 4.2382 4.2382 4.2430 4.2430 4.8361 4.8361 4.8390 4.8390 5.0425 5.0425 5.0699 5.0699 5.5579 5.5579 5.5871 5.5871 6.0011 6.0011 6.0395 6.0395 6.5583 6.5583 6.5821 6.5821 7.1183 7.1183 7.1820 7.1820 7.2763 7.2763 7.4153 7.4153 7.5994 7.5994 7.6993 7.6993 7.9277 7.9277 8.0145 8.0145 8.2577 8.2577 8.3319 8.3319 9.2473 9.2473 9.2578 9.2578 9.5075 9.5075 9.5178 9.5178 9.7954 9.7954 9.8564 9.8564 13.3760 13.3760 13.4130 13.4130 14.9763 14.9763 15.0109 15.0109 15.5137 15.5137 15.5144 15.5144 k = 0.5000 0.2710 0.1291 ( 4156 PWs) bands (ev): 4.2138 4.2138 4.2183 4.2183 4.8531 4.8531 4.8552 4.8552 5.0330 5.0330 5.0597 5.0597 5.5662 5.5662 5.5926 5.5926 6.0077 6.0077 6.0496 6.0496 6.5803 6.5803 6.6015 6.6015 7.1129 7.1129 7.1886 7.1886 7.2544 7.2544 7.3908 7.3908 7.5797 7.5797 7.6879 7.6879 7.9366 7.9366 8.0241 8.0241 8.2633 8.2633 8.3283 8.3283 9.2628 9.2628 9.2677 9.2677 9.5284 9.5284 9.5482 9.5482 9.8522 9.8522 9.9148 9.9148 13.1943 13.1943 13.2278 13.2278 14.9132 14.9132 14.9460 14.9460 15.4535 15.4535 15.4549 15.4549 k = 0.5000 0.2704 0.1188 ( 4150 PWs) bands (ev): 4.1903 4.1903 4.1945 4.1945 4.8668 4.8668 4.8684 4.8684 5.0269 5.0269 5.0527 5.0527 5.5728 5.5728 5.5963 5.5963 6.0172 6.0172 6.0625 6.0625 6.6004 6.6004 6.6187 6.6187 7.1042 7.1042 7.1959 7.1959 7.2355 7.2355 7.3596 7.3596 7.5635 7.5635 7.6758 7.6758 7.9425 7.9425 8.0275 8.0275 8.2779 8.2779 8.3354 8.3354 9.2672 9.2672 9.2841 9.2841 9.5530 9.5530 9.5788 9.5788 9.9119 9.9119 9.9760 9.9760 13.0147 13.0147 13.0447 13.0447 14.8515 14.8515 14.8826 14.8826 15.3953 15.3953 15.3972 15.3972 k = 0.5000 0.2699 0.1086 ( 4152 PWs) bands (ev): 4.1680 4.1680 4.1718 4.1718 4.8767 4.8767 4.8779 4.8779 5.0250 5.0250 5.0494 5.0494 5.5779 5.5779 5.5984 5.5984 6.0294 6.0294 6.0779 6.0779 6.6179 6.6179 6.6334 6.6334 7.0897 7.0897 7.2026 7.2026 7.2226 7.2226 7.3246 7.3246 7.5505 7.5505 7.6632 7.6632 7.9459 7.9459 8.0258 8.0258 8.2996 8.2996 8.3511 8.3511 9.2713 9.2713 9.2972 9.2972 9.5819 9.5819 9.6103 9.6103 9.9731 9.9731 10.0390 10.0390 12.8377 12.8377 12.8642 12.8642 14.7915 14.7915 14.8209 14.8209 15.3400 15.3400 15.3422 15.3422 k = 0.5000 0.2693 0.0983 ( 4144 PWs) bands (ev): 4.1469 4.1469 4.1504 4.1504 4.8824 4.8824 4.8837 4.8837 5.0272 5.0272 5.0497 5.0497 5.5815 5.5815 5.5992 5.5992 6.0444 6.0444 6.0958 6.0958 6.6323 6.6323 6.6453 6.6453 7.0683 7.0683 7.2040 7.2040 7.2173 7.2173 7.2922 7.2922 7.5398 7.5398 7.6502 7.6502 7.9476 7.9476 8.0208 8.0208 8.3261 8.3261 8.3727 8.3727 9.2754 9.2754 9.3073 9.3073 9.6157 9.6157 9.6436 9.6436 10.0349 10.0349 10.1026 10.1026 12.6640 12.6640 12.6868 12.6868 14.7335 14.7335 14.7611 14.7611 15.2881 15.2881 15.2905 15.2905 k = 0.5000 0.2687 0.0881 ( 4142 PWs) bands (ev): 4.1272 4.1272 4.1303 4.1303 4.8844 4.8844 4.8862 4.8862 5.0330 5.0330 5.0532 5.0532 5.5840 5.5840 5.5989 5.5989 6.0621 6.0621 6.1159 6.1159 6.6433 6.6433 6.6544 6.6544 7.0416 7.0416 7.1894 7.1894 7.2191 7.2191 7.2749 7.2749 7.5306 7.5306 7.6369 7.6369 7.9482 7.9482 8.0140 8.0140 8.3554 8.3554 8.3974 8.3974 9.2797 9.2797 9.3150 9.3150 9.6545 9.6545 9.6793 9.6793 10.0966 10.0966 10.1661 10.1661 12.4941 12.4941 12.5130 12.5130 14.6779 14.6779 14.7037 14.7037 15.2402 15.2402 15.2427 15.2427 k = 0.5000 0.2682 0.0778 ( 4138 PWs) bands (ev): 4.1090 4.1090 4.1118 4.1118 4.8837 4.8837 4.8860 4.8860 5.0413 5.0413 5.0590 5.0590 5.5854 5.5854 5.5978 5.5978 6.0822 6.0822 6.1378 6.1378 6.6504 6.6504 6.6603 6.6603 7.0122 7.0122 7.1563 7.1563 7.2260 7.2260 7.2763 7.2763 7.5223 7.5223 7.6234 7.6234 7.9483 7.9483 8.0065 8.0065 8.3856 8.3856 8.4232 8.4232 9.2841 9.2841 9.3206 9.3206 9.6980 9.6980 9.7177 9.7177 10.1578 10.1578 10.2289 10.2289 12.3287 12.3287 12.3436 12.3436 14.6252 14.6252 14.6490 14.6490 15.1965 15.1965 15.1990 15.1990 k = 0.5000 0.2676 0.0676 ( 4138 PWs) bands (ev): 4.0924 4.0924 4.0949 4.0949 4.8814 4.8814 4.8840 4.8840 5.0510 5.0510 5.0663 5.0663 5.5861 5.5861 5.5962 5.5962 6.1045 6.1045 6.1613 6.1613 6.6532 6.6532 6.6630 6.6630 6.9828 6.9828 7.1158 7.1158 7.2364 7.2364 7.2864 7.2864 7.5146 7.5146 7.6098 7.6098 7.9482 7.9482 7.9990 7.9990 8.4153 8.4153 8.4484 8.4484 9.2887 9.2887 9.3244 9.3244 9.7457 9.7457 9.7588 9.7588 10.2181 10.2181 10.2906 10.2906 12.1686 12.1686 12.1793 12.1793 14.5760 14.5760 14.5975 14.5975 15.1573 15.1573 15.1597 15.1597 k = 0.5000 0.2671 0.0573 ( 4134 PWs) bands (ev): 4.0776 4.0776 4.0797 4.0797 4.8783 4.8783 4.8810 4.8810 5.0610 5.0610 5.0741 5.0741 5.5862 5.5862 5.5944 5.5944 6.1286 6.1286 6.1857 6.1857 6.6513 6.6513 6.6624 6.6624 6.9554 6.9554 7.0745 7.0745 7.2490 7.2490 7.2992 7.2992 7.5075 7.5075 7.5961 7.5961 7.9481 7.9481 7.9917 7.9917 8.4434 8.4434 8.4719 8.4719 9.2933 9.2933 9.3270 9.3270 9.7962 9.7962 9.8023 9.8023 10.2777 10.2777 10.3510 10.3510 12.0145 12.0145 12.0209 12.0209 14.5308 14.5308 14.5500 14.5500 15.1227 15.1227 15.1249 15.1249 k = 0.5000 0.2665 0.0471 ( 4134 PWs) bands (ev): 4.0646 4.0646 4.0663 4.0663 4.8749 4.8749 4.8776 4.8776 5.0707 5.0707 5.0816 5.0816 5.5860 5.5860 5.5924 5.5924 6.1543 6.1543 6.2106 6.2106 6.6446 6.6446 6.6583 6.6583 6.9319 6.9319 7.0351 7.0351 7.2629 7.2629 7.3125 7.3125 7.5010 7.5010 7.5823 7.5823 7.9482 7.9482 7.9850 7.9850 8.4690 8.4690 8.4929 8.4929 9.2979 9.2979 9.3283 9.3283 9.8471 9.8471 9.8477 9.8477 10.3368 10.3368 10.4099 10.4099 11.8678 11.8678 11.8696 11.8696 14.4902 14.4902 14.5069 14.5069 15.0927 15.0927 15.0947 15.0947 k = 0.5000 0.2659 0.0368 ( 4136 PWs) bands (ev): 4.0534 4.0534 4.0549 4.0549 4.8717 4.8717 4.8741 4.8741 5.0796 5.0796 5.0885 5.0885 5.5855 5.5855 5.5905 5.5905 6.1809 6.1809 6.2350 6.2350 6.6336 6.6336 6.6506 6.6506 6.9134 6.9134 6.9994 6.9994 7.2775 7.2775 7.3248 7.3248 7.4957 7.4957 7.5685 7.5685 7.9486 7.9486 7.9788 7.9788 8.4915 8.4915 8.5109 8.5109 9.3024 9.3024 9.3288 9.3288 9.8917 9.8917 9.8980 9.8980 10.3959 10.3959 10.4670 10.4670 11.7272 11.7272 11.7299 11.7299 14.4548 14.4548 14.4690 14.4690 15.0674 15.0674 15.0691 15.0691 k = 0.5000 0.2654 0.0266 ( 4140 PWs) bands (ev): 4.0443 4.0443 4.0454 4.0454 4.8690 4.8690 4.8710 4.8710 5.0874 5.0874 5.0944 5.0944 5.5851 5.5851 5.5887 5.5887 6.2078 6.2078 6.2576 6.2576 6.6198 6.6198 6.6397 6.6397 6.9003 6.9003 6.9684 6.9684 7.2921 7.2921 7.3352 7.3352 7.4921 7.4921 7.5548 7.5548 7.9494 7.9494 7.9732 7.9732 8.5105 8.5105 8.5256 8.5256 9.3068 9.3068 9.3284 9.3284 9.9342 9.9342 9.9442 9.9442 10.4553 10.4553 10.5217 10.5217 11.5962 11.5962 11.6030 11.6030 14.4252 14.4252 14.4367 14.4367 15.0467 15.0467 15.0482 15.0482 k = 0.5000 0.2648 0.0163 ( 4144 PWs) bands (ev): 4.0371 4.0371 4.0380 4.0380 4.8668 4.8668 4.8684 4.8684 5.0938 5.0938 5.0990 5.0990 5.5846 5.5846 5.5872 5.5872 6.2339 6.2339 6.2767 6.2767 6.6057 6.6057 6.6264 6.6264 6.8926 6.8926 6.9427 6.9427 7.3061 7.3061 7.3423 7.3423 7.4909 7.4909 7.5414 7.5414 7.9505 7.9505 7.9683 7.9683 8.5257 8.5257 8.5368 8.5368 9.3109 9.3109 9.3274 9.3274 9.9720 9.9720 9.9830 9.9830 10.5140 10.5140 10.5721 10.5721 11.4808 11.4808 11.4906 11.4906 14.4020 14.4020 14.4107 14.4107 15.0308 15.0308 15.0318 15.0318 k = 0.5000 0.2642 0.0061 ( 4156 PWs) bands (ev): 4.0320 4.0320 4.0326 4.0326 4.8652 4.8652 4.8663 4.8663 5.0987 5.0987 5.1021 5.1021 5.5843 5.5843 5.5860 5.5860 6.2578 6.2578 6.2899 6.2899 6.5943 6.5943 6.6121 6.6121 6.8897 6.8897 6.9224 6.9224 7.3191 7.3191 7.3454 7.3454 7.4928 7.4928 7.5286 7.5286 7.9522 7.9522 7.9639 7.9639 8.5371 8.5371 8.5444 8.5444 9.3146 9.3146 9.3258 9.3258 10.0025 10.0025 10.0118 10.0118 10.5694 10.5694 10.6139 10.6139 11.3876 11.3876 11.3980 11.3980 14.3855 14.3855 14.3913 14.3913 15.0194 15.0194 15.0202 15.0202 k = 0.5000 0.2637-0.0042 ( 4162 PWs) bands (ev): 4.0290 4.0290 4.0293 4.0293 4.8644 4.8644 4.8650 4.8650 5.1020 5.1020 5.1037 5.1037 5.5843 5.5843 5.5851 5.5851 6.2775 6.2775 6.2949 6.2949 6.5887 6.5887 6.5992 6.5992 6.8913 6.8913 6.9074 6.9074 7.3302 7.3302 7.3442 7.3442 7.4980 7.4980 7.5166 7.5166 7.9543 7.9543 7.9601 7.9601 8.5447 8.5447 8.5483 8.5483 9.3181 9.3181 9.3237 9.3237 10.0233 10.0233 10.0286 10.0286 10.6147 10.6147 10.6395 10.6395 11.3263 11.3263 11.3334 11.3334 14.3760 14.3760 14.3789 14.3789 15.0127 15.0127 15.0131 15.0131 k = 0.5000 0.2631-0.0144 ( 4156 PWs) bands (ev): 4.0281 4.0281 4.0281 4.0281 4.8643 4.8643 4.8643 4.8643 5.1036 5.1036 5.1036 5.1036 5.5845 5.5845 5.5845 5.5845 6.2905 6.2905 6.2905 6.2905 6.5906 6.5906 6.5906 6.5906 6.8971 6.8971 6.8971 6.8971 7.3389 7.3389 7.3389 7.3389 7.5062 7.5062 7.5062 7.5062 7.9569 7.9569 7.9569 7.9569 8.5484 8.5484 8.5484 8.5484 9.3211 9.3211 9.3211 9.3211 10.0323 10.0323 10.0323 10.0323 10.6405 10.6405 10.6405 10.6405 11.3072 11.3072 11.3072 11.3072 14.3738 14.3738 14.3738 14.3738 15.0106 15.0106 15.0106 15.0106 k = 0.5000 0.2631-0.0144 ( 4156 PWs) bands (ev): 4.0281 4.0281 4.0281 4.0281 4.8643 4.8643 4.8643 4.8643 5.1036 5.1036 5.1036 5.1036 5.5845 5.5845 5.5845 5.5845 6.2905 6.2905 6.2905 6.2905 6.5906 6.5906 6.5906 6.5906 6.8971 6.8971 6.8971 6.8971 7.3389 7.3389 7.3389 7.3389 7.5062 7.5062 7.5062 7.5062 7.9569 7.9569 7.9569 7.9569 8.5484 8.5484 8.5484 8.5484 9.3211 9.3211 9.3211 9.3211 10.0323 10.0323 10.0323 10.0323 10.6405 10.6405 10.6405 10.6405 11.3072 11.3072 11.3072 11.3072 14.3738 14.3738 14.3738 14.3738 15.0106 15.0106 15.0106 15.0106 k = 0.4896 0.2631-0.0144 ( 4154 PWs) bands (ev): 4.0191 4.0191 4.0337 4.0337 4.8573 4.8573 4.8697 4.8697 5.0983 5.0983 5.1110 5.1110 5.5819 5.5819 5.5870 5.5870 6.2584 6.2584 6.3189 6.3189 6.5747 6.5747 6.6066 6.6066 6.8750 6.8750 6.9195 6.9195 7.3341 7.3341 7.3431 7.3431 7.4971 7.4971 7.5127 7.5127 7.9492 7.9492 7.9653 7.9653 8.5384 8.5384 8.5521 8.5521 9.3173 9.3173 9.3360 9.3360 10.0083 10.0083 10.0480 10.0480 10.5936 10.5936 10.6520 10.6520 11.3052 11.3052 11.3610 11.3610 14.3628 14.3628 14.3887 14.3887 14.9908 14.9908 15.0227 15.0227 k = 0.4792 0.2631-0.0144 ( 4154 PWs) bands (ev): 4.0068 4.0068 4.0360 4.0360 4.8494 4.8494 4.8729 4.8729 5.0955 5.0955 5.1198 5.1198 5.5791 5.5791 5.5894 5.5894 6.2239 6.2239 6.3421 6.3421 6.5594 6.5594 6.6224 6.6224 6.8543 6.8543 6.9411 6.9411 7.3287 7.3287 7.3468 7.3468 7.4859 7.4859 7.5163 7.5163 7.9420 7.9420 7.9743 7.9743 8.5228 8.5228 8.5494 8.5494 9.3247 9.3247 9.3611 9.3611 9.9765 9.9765 10.0549 10.0549 10.5265 10.5265 10.6260 10.6260 11.3573 11.3573 11.4520 11.4520 14.3553 14.3553 14.4070 14.4070 14.9645 14.9645 15.0273 15.0273 k = 0.4688 0.2631-0.0144 ( 4154 PWs) bands (ev): 3.9912 3.9912 4.0350 4.0350 4.8409 4.8409 4.8735 4.8735 5.0955 5.0955 5.1296 5.1296 5.5762 5.5762 5.5917 5.5917 6.1878 6.1878 6.3582 6.3582 6.5458 6.5458 6.6377 6.6377 6.8362 6.8362 6.9611 6.9611 7.3221 7.3221 7.3501 7.3501 7.4731 7.4731 7.5170 7.5170 7.9349 7.9349 7.9838 7.9838 8.5024 8.5024 8.5402 8.5402 9.3429 9.3429 9.3950 9.3950 9.9379 9.9379 10.0523 10.0523 10.4533 10.4533 10.5759 10.5759 11.4498 11.4498 11.5666 11.5666 14.3508 14.3508 14.4276 14.4276 14.9342 14.9342 15.0256 15.0256 k = 0.4583 0.2631-0.0144 ( 4162 PWs) bands (ev): 3.9721 3.9721 4.0305 4.0305 4.8323 4.8323 4.8715 4.8715 5.0986 5.0986 5.1400 5.1400 5.5730 5.5730 5.5940 5.5940 6.1511 6.1511 6.3653 6.3653 6.5354 6.5354 6.6522 6.6522 6.8218 6.8218 6.9788 6.9788 7.3139 7.3139 7.3528 7.3528 7.4596 7.4596 7.5148 7.5148 7.9276 7.9276 7.9935 7.9935 8.4782 8.4782 8.5250 8.5250 9.3709 9.3709 9.4356 9.4356 9.8950 9.8950 10.0389 10.0389 10.3838 10.3838 10.5163 10.5163 11.5679 11.5679 11.6964 11.6964 14.3479 14.3479 14.4481 14.4481 14.9037 14.9037 15.0202 15.0202 k = 0.4479 0.2631-0.0144 ( 4156 PWs) bands (ev): 3.9497 3.9497 4.0225 4.0225 4.8240 4.8240 4.8669 4.8669 5.1045 5.1045 5.1507 5.1507 5.5697 5.5697 5.5965 5.5965 6.1146 6.1146 6.3622 6.3622 6.5291 6.5291 6.6649 6.6649 6.8123 6.8123 6.9936 6.9936 7.3034 7.3034 7.3546 7.3546 7.4464 7.4464 7.5101 7.5101 7.9195 7.9195 8.0032 8.0032 8.4508 8.4508 8.5044 8.5044 9.4068 9.4068 9.4790 9.4790 9.8525 9.8525 10.0135 10.0135 10.3243 10.3243 10.4561 10.4561 11.7021 11.7021 11.8368 11.8368 14.3449 14.3449 14.4646 14.4646 14.8788 14.8788 15.0143 15.0143 k = 0.4375 0.2631-0.0144 ( 4154 PWs) bands (ev): 3.9239 3.9239 4.0109 4.0109 4.8163 4.8163 4.8602 4.8602 5.1129 5.1129 5.1616 5.1616 5.5664 5.5664 5.5991 5.5991 6.0787 6.0787 6.3496 6.3496 6.5266 6.5266 6.6752 6.6752 6.8085 6.8085 7.0052 7.0052 7.2901 7.2901 7.3552 7.3552 7.4347 7.4347 7.5030 7.5030 7.9100 7.9100 8.0123 8.0123 8.4212 8.4212 8.4794 8.4794 9.4473 9.4473 9.5179 9.5179 9.8198 9.8198 9.9763 9.9763 10.2781 10.2781 10.3995 10.3995 11.8470 11.8470 11.9850 11.9850 14.3399 14.3399 14.4714 14.4714 14.8663 14.8663 15.0115 15.0115 k = 0.4271 0.2631-0.0144 ( 4152 PWs) bands (ev): 3.8947 3.8947 3.9956 3.9956 4.8094 4.8094 4.8520 4.8520 5.1233 5.1233 5.1723 5.1723 5.5629 5.5629 5.6020 5.6020 6.0441 6.0441 6.3299 6.3299 6.5262 6.5262 6.6823 6.6823 6.8104 6.8104 7.0134 7.0134 7.2735 7.2735 7.3541 7.3541 7.4251 7.4251 7.4940 7.4940 7.8985 7.8985 8.0203 8.0203 8.3900 8.3900 8.4510 8.4510 9.4855 9.4855 9.5418 9.5418 9.8120 9.8120 9.9313 9.9313 10.2451 10.2451 10.3487 10.3487 11.9994 11.9994 12.1393 12.1393 14.3308 14.3308 14.4634 14.4634 14.8726 14.8726 15.0155 15.0155 k = 0.4167 0.2631-0.0144 ( 4154 PWs) bands (ev): 3.8622 3.8622 3.9765 3.9765 4.8034 4.8034 4.8429 4.8429 5.1350 5.1350 5.1829 5.1829 5.5595 5.5595 5.6053 5.6053 6.0110 6.0110 6.3053 6.3053 6.5265 6.5265 6.6865 6.6865 6.8173 6.8173 7.0183 7.0183 7.2537 7.2537 7.3507 7.3507 7.4183 7.4183 7.4834 7.4834 7.8847 7.8847 8.0266 8.0266 8.3577 8.3577 8.4203 8.4203 9.4984 9.4984 9.5580 9.5580 9.8399 9.8399 9.8858 9.8858 10.2221 10.2221 10.3062 10.3062 12.1573 12.1573 12.2982 12.2982 14.3159 14.3159 14.4396 14.4396 14.8997 14.8997 15.0292 15.0292 k = 0.4062 0.2631-0.0144 ( 4156 PWs) bands (ev): 3.8265 3.8265 3.9535 3.9535 4.7982 4.7982 4.8334 4.8334 5.1476 5.1476 5.1933 5.1933 5.5561 5.5561 5.6090 5.6090 5.9798 5.9798 6.2778 6.2778 6.5264 6.5264 6.6884 6.6884 6.8272 6.8272 7.0199 7.0199 7.2311 7.2311 7.3447 7.3447 7.4137 7.4137 7.4719 7.4719 7.8682 7.8682 8.0304 8.0304 8.3252 8.3252 8.3886 8.3886 9.4729 9.4729 9.5773 9.5773 9.8500 9.8500 9.8951 9.8951 10.2037 10.2037 10.2786 10.2786 12.3193 12.3193 12.4609 12.4609 14.2943 14.2943 14.4034 14.4034 14.9451 14.9451 15.0547 15.0547 k = 0.3958 0.2631-0.0144 ( 4162 PWs) bands (ev): 3.7878 3.7878 3.9266 3.9266 4.7940 4.7940 4.8242 4.8242 5.1605 5.1605 5.2036 5.2036 5.5530 5.5530 5.6133 5.6133 5.9506 5.9506 6.2488 6.2488 6.5254 6.5254 6.6890 6.6890 6.8381 6.8381 7.0184 7.0184 7.2064 7.2064 7.3362 7.3362 7.4106 7.4106 7.4601 7.4601 7.8490 7.8490 8.0306 8.0306 8.2931 8.2931 8.3574 8.3574 9.4322 9.4322 9.5776 9.5776 9.8331 9.8331 9.9612 9.9612 10.1855 10.1855 10.2762 10.2762 12.4841 12.4841 12.6263 12.6263 14.2662 14.2662 14.3599 14.3599 15.0044 15.0044 15.0928 15.0928 k = 0.3854 0.2631-0.0144 ( 4170 PWs) bands (ev): 3.7462 3.7462 3.8958 3.8958 4.7904 4.7904 4.8158 4.8158 5.1732 5.1732 5.2138 5.2138 5.5501 5.5501 5.6181 5.6181 5.9235 5.9235 6.2190 6.2190 6.5236 6.5236 6.6889 6.6889 6.8482 6.8482 7.0143 7.0143 7.1803 7.1803 7.3253 7.3253 7.4074 7.4074 7.4490 7.4490 7.8275 7.8275 8.0257 8.0257 8.2629 8.2629 8.3278 8.3278 9.3879 9.3879 9.5530 9.5530 9.8326 9.8326 10.0159 10.0159 10.1823 10.1823 10.3028 10.3028 12.6505 12.6505 12.7934 12.7934 14.2326 14.2326 14.3136 14.3136 15.0739 15.0739 15.1435 15.1435 k = 0.3750 0.2631-0.0144 ( 4164 PWs) bands (ev): 3.7020 3.7020 3.8613 3.8613 4.7871 4.7871 4.8089 4.8089 5.1850 5.1850 5.2243 5.2243 5.5477 5.5477 5.6235 5.6235 5.8985 5.8985 6.1892 6.1892 6.5210 6.5210 6.6881 6.6881 6.8553 6.8553 7.0081 7.0081 7.1536 7.1536 7.3124 7.3124 7.4025 7.4025 7.4401 7.4401 7.8040 7.8040 8.0144 8.0144 8.2364 8.2364 8.3008 8.3008 9.3444 9.3444 9.5128 9.5128 9.8350 9.8350 10.0281 10.0281 10.2262 10.2262 10.3563 10.3563 12.8173 12.8173 12.9609 12.9609 14.1953 14.1953 14.2679 14.2679 15.1511 15.1511 15.2064 15.2064 k = 0.3646 0.2631-0.0144 ( 4166 PWs) bands (ev): 3.6554 3.6554 3.8232 3.8232 4.7836 4.7836 4.8041 4.8041 5.1957 5.1957 5.2351 5.2351 5.5459 5.5459 5.6294 5.6294 5.8754 5.8754 6.1596 6.1596 6.5177 6.5177 6.6865 6.6865 6.8575 6.8575 7.0005 7.0005 7.1271 7.1271 7.2980 7.2980 7.3945 7.3945 7.4345 7.4345 7.7792 7.7792 7.9958 7.9958 8.2152 8.2152 8.2764 8.2764 9.3032 9.3032 9.4663 9.4663 9.8312 9.8312 10.0067 10.0067 10.3091 10.3091 10.4327 10.4327 12.9823 12.9823 13.1267 13.1267 14.1569 14.1569 14.2262 14.2262 15.2339 15.2339 15.2809 15.2809 k = 0.3542 0.2631-0.0144 ( 4166 PWs) bands (ev): 3.6068 3.6068 3.7818 3.7818 4.7796 4.7796 4.8018 4.8018 5.2049 5.2049 5.2463 5.2463 5.5447 5.5447 5.6358 5.6358 5.8541 5.8541 6.1306 6.1306 6.5139 6.5139 6.6840 6.6840 6.8533 6.8533 6.9917 6.9917 7.1018 7.1018 7.2829 7.2829 7.3838 7.3838 7.4316 7.4316 7.7541 7.7541 7.9705 7.9705 8.1997 8.1997 8.2549 8.2549 9.2650 9.2650 9.4183 9.4183 9.8190 9.8190 9.9744 9.9744 10.4089 10.4089 10.5268 10.5268 13.1429 13.1429 13.2877 13.2877 14.1213 14.1213 14.1923 14.1923 15.3211 15.3211 15.3657 15.3657 k = 0.3438 0.2631-0.0144 ( 4168 PWs) bands (ev): 3.5563 3.5563 3.7374 3.7374 4.7753 4.7753 4.8016 4.8016 5.2126 5.2126 5.2578 5.2578 5.5441 5.5441 5.6425 5.6425 5.8345 5.8345 6.1024 6.1024 6.5097 6.5097 6.6798 6.6798 6.8423 6.8423 6.9798 6.9798 7.0803 7.0803 7.2681 7.2681 7.3712 7.3712 7.4302 7.4302 7.7294 7.7294 7.9405 7.9405 8.1889 8.1889 8.2359 8.2359 9.2298 9.2298 9.3709 9.3709 9.7994 9.7994 9.9391 9.9391 10.5178 10.5178 10.6333 10.6333 13.2938 13.2938 13.4375 13.4375 14.0953 14.0953 14.1720 14.1720 15.4128 15.4128 15.4592 15.4592 k = 0.3333 0.2631-0.0144 ( 4172 PWs) bands (ev): 3.5044 3.5044 3.6904 3.6904 4.7713 4.7713 4.8029 4.8029 5.2191 5.2191 5.2693 5.2693 5.5441 5.5441 5.6494 5.6494 5.8163 5.8163 6.0750 6.0750 6.5052 6.5052 6.6731 6.6731 6.8257 6.8257 6.9604 6.9604 7.0661 7.0661 7.2546 7.2546 7.3578 7.3578 7.4293 7.4293 7.7059 7.7059 7.9086 7.9086 8.1811 8.1811 8.2195 8.2195 9.1974 9.1974 9.3250 9.3250 9.7741 9.7741 9.9033 9.9033 10.6330 10.6330 10.7482 10.7482 13.4266 13.4266 13.5642 13.5642 14.0903 14.0903 14.1750 14.1750 15.5089 15.5089 15.5591 15.5591 k = 0.3229 0.2631-0.0144 ( 4176 PWs) bands (ev): 3.4512 3.4512 3.6410 3.6410 4.7679 4.7679 4.8054 4.8054 5.2245 5.2245 5.2804 5.2804 5.5448 5.5448 5.6562 5.6562 5.7994 5.7994 6.0486 6.0486 6.5004 6.5004 6.6625 6.6625 6.8064 6.8064 6.9312 6.9312 7.0605 7.0605 7.2428 7.2428 7.3440 7.3440 7.4282 7.4282 7.6841 7.6841 7.8768 7.8768 8.1741 8.1741 8.2061 8.2061 9.1675 9.1675 9.2811 9.2811 9.7445 9.7445 9.8679 9.8679 10.7528 10.7528 10.8688 10.8688 13.5283 13.5283 13.6503 13.6503 14.1232 14.1232 14.2158 14.2158 15.6095 15.6095 15.6640 15.6640 k = 0.3125 0.2631-0.0144 ( 4180 PWs) bands (ev): 3.3972 3.3972 3.5898 3.5898 4.7651 4.7651 4.8087 4.8087 5.2290 5.2290 5.2909 5.2909 5.5460 5.5460 5.6628 5.6628 5.7837 5.7837 6.0232 6.0232 6.4952 6.4952 6.6466 6.6466 6.7871 6.7871 6.8937 6.8937 7.0613 7.0613 7.2333 7.2333 7.3304 7.3304 7.4266 7.4266 7.6645 7.6645 7.8468 7.8468 8.1663 8.1663 8.1961 8.1961 9.1396 9.1396 9.2392 9.2392 9.7115 9.7115 9.8334 9.8334 10.8757 10.8757 10.9930 10.9930 13.5886 13.5886 13.6879 13.6879 14.2031 14.2031 14.3037 14.3037 15.7132 15.7132 15.7723 15.7723 k = 0.3021 0.2631-0.0144 ( 4178 PWs) bands (ev): 3.3425 3.3425 3.5371 3.5371 4.7630 4.7630 4.8125 4.8125 5.2329 5.2329 5.3006 5.3006 5.5476 5.5476 5.6686 5.6686 5.7691 5.7691 5.9990 5.9990 6.4894 6.4894 6.6247 6.6247 6.7696 6.7696 6.8514 6.8514 7.0656 7.0656 7.2260 7.2260 7.3173 7.3173 7.4239 7.4239 7.6474 7.6474 7.8197 7.8197 8.1568 8.1568 8.1898 8.1898 9.1134 9.1134 9.1996 9.1996 9.6763 9.6763 9.7997 9.7997 11.0005 11.0005 11.1189 11.1189 13.6108 13.6108 13.6919 13.6919 14.3210 14.3210 14.4299 14.4299 15.8178 15.8178 15.8832 15.8832 k = 0.2917 0.2631-0.0144 ( 4178 PWs) bands (ev): 3.2875 3.2875 3.4833 3.4833 4.7615 4.7615 4.8168 4.8168 5.2362 5.2362 5.3092 5.3092 5.5493 5.5493 5.6734 5.6734 5.7558 5.7558 5.9759 5.9759 6.4828 6.4828 6.5975 6.5975 6.7523 6.7523 6.8088 6.8088 7.0717 7.0717 7.2207 7.2207 7.3051 7.3051 7.4201 7.4201 7.6333 7.6333 7.7958 7.7958 8.1461 8.1461 8.1860 8.1860 9.0885 9.0885 9.1620 9.1620 9.6395 9.6395 9.7670 9.7670 11.1256 11.1256 11.2451 11.2451 13.6089 13.6089 13.6805 13.6805 14.4616 14.4616 14.5775 14.5775 15.9174 15.9174 15.9958 15.9958 k = 0.2812 0.2631-0.0144 ( 4170 PWs) bands (ev): 3.2325 3.2325 3.4288 3.4288 4.7605 4.7605 4.8213 4.8213 5.2390 5.2390 5.3167 5.3167 5.5511 5.5511 5.6764 5.6764 5.7439 5.7439 5.9541 5.9541 6.4744 6.4744 6.5672 6.5672 6.7262 6.7262 6.7758 6.7758 7.0788 7.0788 7.2171 7.2171 7.2943 7.2943 7.4148 7.4148 7.6223 7.6223 7.7754 7.7754 8.1351 8.1351 8.1837 8.1837 9.0642 9.0642 9.1266 9.1266 9.6018 9.6018 9.7350 9.7350 11.2495 11.2495 11.3698 11.3698 13.5961 13.5961 13.6648 13.6648 14.6135 14.6135 14.7337 14.7337 15.9989 15.9989 16.1098 16.1098 k = 0.2708 0.2631-0.0144 ( 4176 PWs) bands (ev): 3.1776 3.1776 3.3740 3.3740 4.7599 4.7599 4.8259 4.8259 5.2413 5.2413 5.3228 5.3228 5.5527 5.5527 5.6766 5.6766 5.7342 5.7342 5.9335 5.9335 6.4626 6.4626 6.5369 6.5369 6.6852 6.6852 6.7594 6.7594 7.0865 7.0865 7.2148 7.2148 7.2852 7.2852 7.4082 7.4082 7.6145 7.6145 7.7582 7.7582 8.1244 8.1244 8.1821 8.1821 9.0400 9.0400 9.0936 9.0936 9.5636 9.5636 9.7039 9.7039 11.3705 11.3705 11.4910 11.4910 13.5813 13.5813 13.6506 13.6506 14.7688 14.7688 14.8901 14.8901 16.0459 16.0459 16.2244 16.2244 k = 0.2604 0.2631-0.0144 ( 4176 PWs) bands (ev): 3.1232 3.1232 3.3191 3.3191 4.7596 4.7596 4.8305 4.8305 5.2432 5.2432 5.3275 5.3275 5.5539 5.5539 5.6732 5.6732 5.7272 5.7272 5.9143 5.9143 6.4448 6.4448 6.5101 6.5101 6.6392 6.6392 6.7508 6.7508 7.0948 7.0948 7.2134 7.2134 7.2779 7.2779 7.4004 7.4004 7.6098 7.6098 7.7440 7.7440 8.1141 8.1141 8.1811 8.1811 9.0154 9.0154 9.0630 9.0630 9.5256 9.5256 9.6734 9.6734 11.4865 11.4865 11.6067 11.6067 13.5703 13.5703 13.6423 13.6423 14.9225 14.9225 15.0400 15.0400 16.0636 16.0636 16.3355 16.3355 k = 0.2500 0.2631-0.0144 ( 4182 PWs) bands (ev): 3.0695 3.0695 3.2645 3.2645 4.7596 4.7596 4.8350 4.8350 5.2445 5.2445 5.3307 5.3307 5.5547 5.5547 5.6660 5.6660 5.7228 5.7228 5.8964 5.8964 6.4196 6.4196 6.4874 6.4874 6.5954 6.5954 6.7448 6.7448 7.1037 7.1037 7.2125 7.2125 7.2724 7.2724 7.3919 7.3919 7.6079 7.6079 7.7322 7.7322 8.1044 8.1044 8.1806 8.1806 8.9897 8.9897 9.0352 9.0352 9.4879 9.4879 9.6436 9.6436 11.5953 11.5953 11.7144 11.7144 13.5673 13.5673 13.6433 13.6433 15.0698 15.0698 15.1763 15.1763 16.0772 16.0772 16.4358 16.4358 k = 0.2396 0.2631-0.0144 ( 4190 PWs) bands (ev): 3.0166 3.0166 3.2105 3.2105 4.7596 4.7596 4.8393 4.8393 5.2452 5.2452 5.3321 5.3321 5.5549 5.5549 5.6560 5.6560 5.7201 5.7201 5.8799 5.8799 6.3898 6.3898 6.4638 6.4638 6.5596 6.5596 6.7400 6.7400 7.1134 7.1134 7.2117 7.2117 7.2686 7.2686 7.3836 7.3836 7.6087 7.6087 7.7226 7.7226 8.0954 8.0954 8.1805 8.1805 8.9629 8.9629 9.0098 9.0098 9.4509 9.4509 9.6145 9.6145 11.6943 11.6943 11.8116 11.8116 13.5759 13.5759 13.6567 13.6567 15.2051 15.2051 15.2919 15.2919 16.1071 16.1071 16.5196 16.5196 k = 0.2292 0.2631-0.0144 ( 4184 PWs) bands (ev): 2.9648 2.9648 3.1573 3.1573 4.7597 4.7597 4.8432 4.8432 5.2452 5.2452 5.3315 5.3315 5.5547 5.5547 5.6442 5.6442 5.7179 5.7179 5.8645 5.8645 6.3587 6.3587 6.4332 6.4332 6.5360 6.5360 6.7359 6.7359 7.1238 7.1238 7.2108 7.2108 7.2658 7.2658 7.3762 7.3762 7.6116 7.6116 7.7146 7.7146 8.0874 8.0874 8.1809 8.1809 8.9353 8.9353 8.9864 8.9864 9.4148 9.4148 9.5862 9.5862 11.7811 11.7811 11.8958 11.8958 13.5990 13.5990 13.6853 13.6853 15.3168 15.3168 15.3871 15.3871 16.1649 16.1649 16.5832 16.5832 k = 0.2188 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.9142 2.9142 3.1052 3.1052 4.7597 4.7597 4.8467 4.8467 5.2444 5.2444 5.3289 5.3289 5.5540 5.5540 5.6314 5.6314 5.7155 5.7155 5.8503 5.8503 6.3281 6.3281 6.3962 6.3962 6.5235 6.5235 6.7323 6.7323 7.1348 7.1348 7.2098 7.2098 7.2630 7.2630 7.3709 7.3709 7.6163 7.6163 7.7079 7.7079 8.0803 8.0803 8.1819 8.1819 8.9073 8.9073 8.9641 8.9641 9.3799 9.3799 9.5586 9.5586 11.8536 11.8536 11.9651 11.9651 13.6391 13.6391 13.7314 13.7314 15.3839 15.3839 15.4779 15.4779 16.2525 16.2525 16.6247 16.6247 k = 0.2083 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.8650 2.8650 3.0544 3.0544 4.7596 4.7596 4.8497 4.8497 5.2425 5.2425 5.3240 5.3240 5.5532 5.5532 5.6184 5.6184 5.7128 5.7128 5.8369 5.8369 6.2989 6.2989 6.3571 6.3571 6.5178 6.5178 6.7295 6.7295 7.1455 7.1455 7.2091 7.2091 7.2593 7.2593 7.3688 7.3688 7.6225 7.6225 7.7022 7.7022 8.0744 8.0744 8.1834 8.1834 8.8792 8.8792 8.9425 8.9425 9.3463 9.3463 9.5317 9.5317 11.9105 11.9105 12.0184 12.0184 13.6976 13.6976 13.7961 13.7961 15.4099 15.4099 15.5642 15.5642 16.3621 16.3621 16.6466 16.6466 k = 0.1979 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.8174 2.8174 3.0050 3.0050 4.7594 4.7594 4.8521 4.8521 5.2395 5.2395 5.3167 5.3167 5.5524 5.5524 5.6054 5.6054 5.7095 5.7095 5.8240 5.8240 6.2714 6.2714 6.3190 6.3190 6.5164 6.5164 6.7274 6.7274 7.1547 7.1547 7.2098 7.2098 7.2541 7.2541 7.3706 7.3706 7.6299 7.6299 7.6971 7.6971 8.0696 8.0696 8.1857 8.1857 8.8513 8.8513 8.9212 8.9212 9.3141 9.3141 9.5056 9.5056 11.9514 11.9514 12.0556 12.0556 13.7750 13.7750 13.8795 13.8795 15.4126 15.4126 15.6358 15.6358 16.4782 16.4782 16.6579 16.6579 k = 0.1875 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.7714 2.7714 2.9574 2.9574 4.7589 4.7589 4.8539 4.8539 5.2353 5.2353 5.3070 5.3070 5.5519 5.5519 5.5930 5.5930 5.7060 5.7060 5.8116 5.8116 6.2448 6.2448 6.2839 6.2839 6.5180 6.5180 6.7262 6.7262 7.1604 7.1604 7.2124 7.2124 7.2481 7.2481 7.3763 7.3763 7.6383 7.6383 7.6927 7.6927 8.0661 8.0661 8.1888 8.1888 8.8237 8.8237 8.8998 8.8998 9.2836 9.2836 9.4804 9.4804 11.9772 11.9772 12.0779 12.0779 13.8705 13.8705 13.9805 13.9805 15.4023 15.4023 15.6904 15.6904 16.5664 16.5664 16.6875 16.6875 k = 0.1771 0.2631-0.0144 ( 4196 PWs) bands (ev): 2.7273 2.7273 2.9115 2.9115 4.7583 4.7583 4.8549 4.8549 5.2296 5.2296 5.2952 5.2952 5.5518 5.5518 5.5813 5.5813 5.7023 5.7023 5.7994 5.7994 6.2182 6.2182 6.2535 6.2535 6.5220 6.5220 6.7262 6.7262 7.1612 7.1612 7.2147 7.2147 7.2453 7.2453 7.3852 7.3852 7.6475 7.6475 7.6886 7.6886 8.0640 8.0640 8.1927 8.1927 8.7965 8.7965 8.8783 8.8783 9.2547 9.2547 9.4560 9.4560 11.9896 11.9896 12.0872 12.0872 13.9823 13.9823 14.0972 14.0972 15.3850 15.3850 15.7293 15.7293 16.5850 16.5850 16.7708 16.7708 k = 0.1667 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.6852 2.6852 2.8676 2.8676 4.7574 4.7574 4.8552 4.8552 5.2223 5.2223 5.2814 5.2814 5.5520 5.5520 5.5709 5.5709 5.6986 5.6986 5.7875 5.7875 6.1909 6.1909 6.2285 6.2285 6.5284 6.5284 6.7274 6.7274 7.1575 7.1575 7.2104 7.2104 7.2514 7.2514 7.3965 7.3965 7.6573 7.6573 7.6851 7.6851 8.0632 8.0632 8.1974 8.1974 8.7697 8.7697 8.8565 8.8565 9.2277 9.2277 9.4325 9.4325 11.9908 11.9908 12.0858 12.0858 14.1082 14.1082 14.2272 14.2272 15.3639 15.3639 15.7550 15.7550 16.5733 16.5733 16.8622 16.8622 k = 0.1562 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.6451 2.6451 2.8258 2.8258 4.7562 4.7562 4.8548 4.8548 5.2134 5.2134 5.2664 5.2664 5.5521 5.5521 5.5623 5.5623 5.6951 5.6951 5.7760 5.7760 6.1635 6.1635 6.2080 6.2080 6.5369 6.5369 6.7299 6.7299 7.1504 7.1504 7.2008 7.2008 7.2643 7.2643 7.4095 7.4095 7.6673 7.6673 7.6824 7.6824 8.0637 8.0637 8.2030 8.2030 8.7434 8.7434 8.8345 8.8345 9.2024 9.2024 9.4100 9.4100 11.9831 11.9831 12.0759 12.0759 14.2457 14.2457 14.3680 14.3680 15.3412 15.3412 15.7705 15.7705 16.5538 16.5538 16.9345 16.9345 k = 0.1458 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.6072 2.6072 2.7862 2.7862 4.7549 4.7549 4.8536 4.8536 5.2028 5.2028 5.2506 5.2506 5.5493 5.5493 5.5581 5.5581 5.6918 5.6918 5.7651 5.7651 6.1371 6.1371 6.1906 6.1906 6.5475 6.5475 6.7337 6.7337 7.1406 7.1406 7.1891 7.1891 7.2800 7.2800 7.4234 7.4234 7.6749 7.6749 7.6833 7.6833 8.0656 8.0656 8.2094 8.2094 8.7177 8.7177 8.8122 8.8122 9.1789 9.1789 9.3884 9.3884 11.9687 11.9687 12.0597 12.0597 14.3925 14.3925 14.5172 14.5172 15.3182 15.3182 15.7783 15.7783 16.5319 16.5319 16.9833 16.9833 k = 0.1354 0.2631-0.0144 ( 4196 PWs) bands (ev): 2.5715 2.5715 2.7489 2.7489 4.7533 4.7533 4.8518 4.8518 5.1906 5.1906 5.2348 5.2348 5.5436 5.5436 5.5583 5.5583 5.6890 5.6890 5.7551 5.7551 6.1122 6.1122 6.1753 6.1753 6.5601 6.5601 6.7390 6.7390 7.1283 7.1283 7.1770 7.1770 7.2965 7.2965 7.4374 7.4374 7.6758 7.6758 7.6924 7.6924 8.0686 8.0686 8.2166 8.2166 8.6927 8.6927 8.7897 8.7897 9.1573 9.1573 9.3679 9.3679 11.9493 11.9493 12.0390 12.0390 14.5464 14.5464 14.6727 14.6727 15.2956 15.2956 15.7808 15.7808 16.5093 16.5093 17.0121 17.0121 k = 0.1250 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.5382 2.5382 2.7141 2.7141 4.7515 4.7515 4.8493 4.8493 5.1767 5.1767 5.2197 5.2197 5.5380 5.5380 5.5596 5.5596 5.6867 5.6867 5.7461 5.7461 6.0890 6.0890 6.1615 6.1615 6.5746 6.5746 6.7456 6.7456 7.1138 7.1138 7.1649 7.1649 7.3129 7.3129 7.4508 7.4508 7.6760 7.6760 7.7038 7.7038 8.0726 8.0726 8.2244 8.2244 8.6683 8.6683 8.7672 8.7672 9.1373 9.1373 9.3484 9.3484 11.9268 11.9268 12.0154 12.0154 14.7052 14.7052 14.8324 14.8324 15.2743 15.2743 15.7798 15.7798 16.4871 16.4871 17.0267 17.0267 k = 0.1146 0.2631-0.0144 ( 4196 PWs) bands (ev): 2.5073 2.5073 2.6817 2.6817 4.7496 4.7496 4.8462 4.8462 5.1616 5.1616 5.2056 5.2056 5.5332 5.5332 5.5608 5.5608 5.6849 5.6849 5.7386 5.7386 6.0676 6.0676 6.1488 6.1488 6.5909 6.5909 6.7534 6.7534 7.0975 7.0975 7.1528 7.1528 7.3287 7.3287 7.4629 7.4629 7.6778 7.6778 7.7156 7.7156 8.0775 8.0775 8.2329 8.2329 8.6447 8.6447 8.7449 8.7449 9.1191 9.1191 9.3301 9.3301 11.9024 11.9024 11.9901 11.9901 14.8666 14.8666 14.9942 14.9942 15.2552 15.2552 15.7765 15.7765 16.4658 16.4658 17.0321 17.0321 k = 0.1042 0.2631-0.0144 ( 4198 PWs) bands (ev): 2.4788 2.4788 2.6519 2.6519 4.7476 4.7476 4.8426 4.8426 5.1458 5.1458 5.1927 5.1927 5.5292 5.5292 5.5615 5.5615 5.6838 5.6838 5.7326 5.7326 6.0479 6.0479 6.1371 6.1371 6.6088 6.6088 6.7624 6.7624 7.0795 7.0795 7.1409 7.1409 7.3436 7.3436 7.4732 7.4732 7.6817 7.6817 7.7277 7.7277 8.0830 8.0830 8.2418 8.2418 8.6221 8.6221 8.7228 8.7228 9.1026 9.1026 9.3130 9.3130 11.8771 11.8771 11.9643 11.9643 15.0272 15.0272 15.1535 15.1535 15.2425 15.2425 15.7725 15.7725 16.4457 16.4457 17.0319 17.0319 k = 0.0938 0.2631-0.0144 ( 4194 PWs) bands (ev): 2.4529 2.4529 2.6248 2.6248 4.7455 4.7455 4.8388 4.8388 5.1301 5.1301 5.1809 5.1809 5.5260 5.5260 5.5617 5.5617 5.6834 5.6834 5.7283 5.7283 6.0298 6.0298 6.1261 6.1261 6.6281 6.6281 6.7723 6.7723 7.0603 7.0603 7.1290 7.1290 7.3573 7.3573 7.4810 7.4810 7.6880 7.6880 7.7395 7.7395 8.0891 8.0891 8.2511 8.2511 8.6006 8.6006 8.7012 8.7012 9.0877 9.0877 9.2971 9.2971 11.8520 11.8520 11.9387 11.9387 15.1652 15.1652 15.2396 15.2396 15.3243 15.3243 15.7693 15.7693 16.4271 16.4271 17.0282 17.0282 k = 0.0833 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.4296 2.4296 2.6004 2.6004 4.7434 4.7434 4.8347 4.8347 5.1149 5.1149 5.1703 5.1703 5.5233 5.5233 5.5612 5.5612 5.6838 5.6838 5.7254 5.7254 6.0133 6.0133 6.1160 6.1160 6.6487 6.6487 6.7829 6.7829 7.0399 7.0399 7.1170 7.1170 7.3698 7.3698 7.4863 7.4863 7.6967 7.6967 7.7509 7.7509 8.0953 8.0953 8.2604 8.2604 8.5804 8.5804 8.6804 8.6804 9.0744 9.0744 9.2826 9.2826 11.8279 11.8279 11.9141 11.9141 15.1859 15.1859 15.3649 15.3649 15.4771 15.4771 15.7696 15.7696 16.4103 16.4103 17.0227 17.0227 k = 0.0729 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.4089 2.4089 2.5787 2.5787 4.7414 4.7414 4.8306 4.8306 5.1007 5.1007 5.1609 5.1609 5.5212 5.5212 5.5600 5.5600 5.6851 5.6851 5.7237 5.7237 5.9984 5.9984 6.1067 6.1067 6.6704 6.6704 6.7941 6.7941 7.0187 7.0187 7.1052 7.1052 7.3810 7.3810 7.4892 7.4892 7.7074 7.7074 7.7615 7.7615 8.1016 8.1016 8.2698 8.2698 8.5617 8.5617 8.6607 8.6607 9.0626 9.0626 9.2695 9.2695 11.8052 11.8052 11.8912 11.8912 15.1760 15.1760 15.5109 15.5109 15.6196 15.6196 15.7819 15.7819 16.3954 16.3954 17.0163 17.0163 k = 0.0625 0.2631-0.0144 ( 4192 PWs) bands (ev): 2.3909 2.3909 2.5598 2.5598 4.7394 4.7394 4.8266 4.8266 5.0879 5.0879 5.1526 5.1526 5.5195 5.5195 5.5582 5.5582 5.6871 5.6871 5.7230 5.7230 5.9851 5.9851 6.0983 6.0983 6.6928 6.6928 6.8054 6.8054 6.9967 6.9967 7.0937 7.0937 7.3908 7.3908 7.4901 7.4901 7.7195 7.7195 7.7710 7.7710 8.1076 8.1076 8.2788 8.2788 8.5447 8.5447 8.6422 8.6422 9.0524 9.0524 9.2580 9.2580 11.7846 11.7846 11.8703 11.8703 15.1649 15.1649 15.6304 15.6304 15.7336 15.7336 15.8374 15.8374 16.3825 16.3825 17.0096 17.0096 k = 0.0521 0.2631-0.0144 ( 4190 PWs) bands (ev): 2.3756 2.3756 2.5438 2.5438 4.7377 4.7377 4.8229 4.8229 5.0767 5.0767 5.1456 5.1456 5.5182 5.5182 5.5562 5.5562 5.6897 5.6897 5.7228 5.7228 5.9736 5.9736 6.0909 6.0909 6.7159 6.7159 6.8165 6.8165 6.9743 6.9743 7.0826 7.0826 7.3994 7.3994 7.4895 7.4895 7.7323 7.7323 7.7790 7.7790 8.1131 8.1131 8.2872 8.2872 8.5298 8.5298 8.6255 8.6255 9.0437 9.0437 9.2480 9.2480 11.7664 11.7664 11.8520 11.8520 15.1549 15.1549 15.6818 15.6818 15.8431 15.8431 15.9446 15.9446 16.3718 16.3718 17.0032 17.0032 k = 0.0417 0.2631-0.0144 ( 4188 PWs) bands (ev): 2.3630 2.3630 2.5306 2.5306 4.7361 4.7361 4.8196 4.8196 5.0674 5.0674 5.1398 5.1398 5.5172 5.5172 5.5541 5.5541 5.6926 5.6926 5.7230 5.7230 5.9638 5.9638 6.0846 6.0846 6.7392 6.7392 6.8269 6.8269 6.9515 6.9515 7.0724 7.0724 7.4066 7.4066 7.4880 7.4880 7.7449 7.7449 7.7852 7.7852 8.1180 8.1180 8.2949 8.2949 8.5170 8.5170 8.6109 8.6109 9.0365 9.0365 9.2398 9.2398 11.7511 11.7511 11.8366 11.8366 15.1465 15.1465 15.6939 15.6939 15.9594 15.9594 16.0552 16.0552 16.3637 16.3637 16.9973 16.9973 k = 0.0312 0.2631-0.0144 ( 4184 PWs) bands (ev): 2.3532 2.3532 2.5203 2.5203 4.7349 4.7349 4.8169 4.8169 5.0600 5.0600 5.1353 5.1353 5.5166 5.5166 5.5521 5.5521 5.6954 5.6954 5.7232 5.7232 5.9560 5.9560 6.0795 6.0795 6.7624 6.7624 6.8360 6.8360 6.9289 6.9289 7.0635 7.0635 7.4125 7.4125 7.4860 7.4860 7.7565 7.7565 7.7893 7.7893 8.1220 8.1220 8.3013 8.3013 8.5068 8.5068 8.5989 8.5989 9.0310 9.0310 9.2332 9.2332 11.7389 11.7389 11.8244 11.8244 15.1399 15.1399 15.6964 15.6964 16.0629 16.0629 16.1491 16.1491 16.3589 16.3589 16.9921 16.9921 k = 0.0208 0.2631-0.0144 ( 4180 PWs) bands (ev): 2.3462 2.3462 2.5130 2.5130 4.7339 4.7339 4.8149 4.8149 5.0547 5.0547 5.1321 5.1321 5.5161 5.5161 5.5506 5.5506 5.6979 5.6979 5.7233 5.7233 5.9504 5.9504 6.0758 6.0758 6.7844 6.7844 6.8431 6.8431 6.9073 6.9073 7.0565 7.0565 7.4169 7.4169 7.4841 7.4841 7.7665 7.7665 7.7913 7.7913 8.1250 8.1250 8.3062 8.3062 8.4994 8.4994 8.5899 8.5899 9.0270 9.0270 9.2285 9.2285 11.7301 11.7301 11.8155 11.8155 15.1351 15.1351 15.6966 15.6966 16.1446 16.1446 16.2171 16.2171 16.3585 16.3585 16.9880 16.9880 k = 0.0104 0.2631-0.0144 ( 4178 PWs) bands (ev): 2.3420 2.3420 2.5086 2.5086 4.7333 4.7333 4.8136 4.8136 5.0515 5.0515 5.1301 5.1301 5.5159 5.5159 5.5496 5.5496 5.6995 5.6995 5.7234 5.7234 5.9469 5.9469 6.0735 6.0735 6.8030 6.8030 6.8477 6.8477 6.8890 6.8890 7.0520 7.0520 7.4197 7.4197 7.4827 7.4827 7.7737 7.7737 7.7914 7.7914 8.1269 8.1269 8.3093 8.3093 8.4948 8.4948 8.5843 8.5843 9.0246 9.0246 9.2257 9.2257 11.7247 11.7247 11.8101 11.8101 15.1323 15.1323 15.6962 15.6962 16.1985 16.1985 16.2534 16.2534 16.3629 16.3629 16.9854 16.9854 k = 0.0000 0.2631-0.0144 ( 4174 PWs) bands (ev): 2.3406 2.3406 2.5071 2.5071 4.7331 4.7331 4.8132 4.8132 5.0504 5.0504 5.1295 5.1295 5.5158 5.5158 5.5493 5.5493 5.7001 5.7001 5.7234 5.7234 5.9457 5.9457 6.0727 6.0727 6.8114 6.8114 6.8493 6.8493 6.8808 6.8808 7.0504 7.0504 7.4207 7.4207 7.4822 7.4822 7.7766 7.7766 7.7911 7.7911 8.1275 8.1275 8.3104 8.3104 8.4933 8.4933 8.5824 8.5824 9.0238 9.0238 9.2247 9.2247 11.7229 11.7229 11.8082 11.8082 15.1313 15.1313 15.6960 15.6960 16.2182 16.2182 16.2629 16.2629 16.3663 16.3663 16.9845 16.9845 k = 0.0000 0.2631-0.0144 ( 4174 PWs) bands (ev): 2.3406 2.3406 2.5071 2.5071 4.7331 4.7331 4.8132 4.8132 5.0504 5.0504 5.1295 5.1295 5.5158 5.5158 5.5493 5.5493 5.7001 5.7001 5.7234 5.7234 5.9457 5.9457 6.0727 6.0727 6.8114 6.8114 6.8493 6.8493 6.8808 6.8808 7.0504 7.0504 7.4207 7.4207 7.4822 7.4822 7.7766 7.7766 7.7911 7.7911 8.1275 8.1275 8.3104 8.3104 8.4933 8.4933 8.5824 8.5824 9.0238 9.0238 9.2247 9.2247 11.7229 11.7229 11.8082 11.8082 15.1313 15.1313 15.6960 15.6960 16.2182 16.2182 16.2629 16.2629 16.3663 16.3663 16.9845 16.9845 k = 0.0000 0.2637-0.0042 ( 4176 PWs) bands (ev): 2.3421 2.3421 2.5086 2.5086 4.7240 4.7240 4.8105 4.8105 5.0527 5.0527 5.1326 5.1326 5.5129 5.5129 5.5525 5.5525 5.6990 5.6990 5.7250 5.7250 5.9458 5.9458 6.0729 6.0729 6.8010 6.8010 6.8569 6.8569 6.8814 6.8814 7.0509 7.0509 7.4203 7.4203 7.4822 7.4822 7.7747 7.7747 7.7911 7.7911 8.1267 8.1267 8.3096 8.3096 8.4683 8.4683 8.6108 8.6108 9.0004 9.0004 9.2605 9.2605 11.7193 11.7193 11.8105 11.8105 15.1208 15.1208 15.7048 15.7048 16.2188 16.2188 16.2610 16.2610 16.3625 16.3625 16.9992 16.9992 k = 0.0000 0.2642 0.0061 ( 4178 PWs) bands (ev): 2.3466 2.3466 2.5132 2.5132 4.6991 4.6991 4.8009 4.8009 5.0595 5.0595 5.1412 5.1412 5.5063 5.5063 5.5601 5.5601 5.6965 5.6965 5.7290 5.7290 5.9460 5.9460 6.0735 6.0735 6.7808 6.7808 6.8654 6.8654 6.8869 6.8869 7.0522 7.0522 7.4193 7.4193 7.4822 7.4822 7.7696 7.7696 7.7906 7.7906 8.1242 8.1242 8.3073 8.3073 8.4278 8.4278 8.6567 8.6567 8.9632 8.9632 9.3399 9.3399 11.7093 11.7093 11.8162 11.8162 15.0917 15.0917 15.7273 15.7273 16.2180 16.2180 16.2567 16.2567 16.3567 16.3567 17.0397 17.0397 k = 0.0000 0.2648 0.0163 ( 4183 PWs) bands (ev): 2.3541 2.3541 2.5207 2.5207 4.6631 4.6631 4.7825 4.7825 5.0702 5.0702 5.1534 5.1534 5.4986 5.4986 5.5693 5.5693 5.6939 5.6939 5.7342 5.7342 5.9462 5.9462 6.0743 6.0743 6.7580 6.7580 6.8651 6.8651 6.9006 6.9006 7.0544 7.0544 7.4176 7.4176 7.4822 7.4822 7.7624 7.7624 7.7886 7.7886 8.1203 8.1203 8.3027 8.3027 8.3917 8.3917 8.6839 8.6839 8.9532 8.9532 9.4378 9.4378 11.6949 11.6949 11.8237 11.8237 15.0495 15.0495 15.7540 15.7540 16.2087 16.2087 16.2579 16.2579 16.3586 16.3586 17.0976 17.0976 k = 0.0000 0.2654 0.0266 ( 4187 PWs) bands (ev): 2.3647 2.3647 2.5313 2.5313 4.6190 4.6190 4.7559 4.7559 5.0831 5.0831 5.1674 5.1674 5.4906 5.4906 5.5787 5.5787 5.6920 5.6920 5.7398 5.7398 5.9464 5.9464 6.0754 6.0754 6.7345 6.7345 6.8607 6.8607 6.9166 6.9166 7.0575 7.0575 7.4153 7.4153 7.4821 7.4821 7.7537 7.7537 7.7847 7.7847 8.1152 8.1152 8.2948 8.2948 8.3639 8.3639 8.6743 8.6743 8.9921 8.9921 9.5463 9.5463 11.6773 11.6773 11.8318 11.8318 14.9995 14.9995 15.7721 15.7721 16.1960 16.1960 16.2691 16.2691 16.3717 16.3717 17.1600 17.1600 k = 0.0000 0.2659 0.0368 ( 4193 PWs) bands (ev): 2.3782 2.3782 2.5449 2.5449 4.5690 4.5690 4.7223 4.7223 5.0968 5.0968 5.1821 5.1821 5.4827 5.4827 5.5873 5.5873 5.6913 5.6913 5.7454 5.7454 5.9464 5.9464 6.0766 6.0766 6.7114 6.7114 6.8547 6.8547 6.9326 6.9326 7.0615 7.0615 7.4125 7.4125 7.4819 7.4819 7.7440 7.7440 7.7790 7.7790 8.1092 8.1092 8.2830 8.2830 8.3454 8.3454 8.6395 8.6395 9.0687 9.0687 9.6625 9.6625 11.6576 11.6576 11.8398 11.8398 14.9458 14.9458 15.7701 15.7701 16.1945 16.1945 16.2864 16.2864 16.3961 16.3961 17.1899 17.1899 k = 0.0000 0.2665 0.0471 ( 4187 PWs) bands (ev): 2.3946 2.3946 2.5614 2.5614 4.5141 4.5141 4.6833 4.6833 5.1098 5.1098 5.1967 5.1967 5.4750 5.4750 5.5946 5.5946 5.6920 5.6920 5.7506 5.7506 5.9460 5.9460 6.0778 6.0778 6.6896 6.6896 6.8483 6.8483 6.9483 6.9483 7.0664 7.0664 7.4093 7.4093 7.4814 7.4814 7.7337 7.7337 7.7714 7.7714 8.1030 8.1030 8.2685 8.2685 8.3340 8.3340 8.5964 8.5964 9.1657 9.1657 9.7852 9.7852 11.6362 11.6362 11.8474 11.8474 14.8910 14.8910 15.7436 15.7436 16.2092 16.2092 16.3065 16.3065 16.4319 16.4319 17.0910 17.0910 k = 0.0000 0.2671 0.0573 ( 4192 PWs) bands (ev): 2.4141 2.4141 2.5809 2.5809 4.4553 4.4553 4.6398 4.6398 5.1214 5.1214 5.2109 5.2109 5.4676 5.4676 5.6002 5.6002 5.6942 5.6942 5.7552 5.7552 5.9453 5.9453 6.0788 6.0788 6.6699 6.6699 6.8419 6.8419 6.9636 6.9636 7.0722 7.0722 7.4058 7.4058 7.4806 7.4806 7.7229 7.7229 7.7622 7.7622 8.0968 8.0968 8.2539 8.2539 8.3265 8.3265 8.5526 8.5526 9.2749 9.2749 9.9131 9.9131 11.6137 11.6137 11.8547 11.8547 14.8368 14.8368 15.6972 15.6972 16.2346 16.2346 16.3245 16.3245 16.4792 16.4792 16.9319 16.9319 k = 0.0000 0.2676 0.0676 ( 4195 PWs) bands (ev): 2.4364 2.4364 2.6033 2.6033 4.3931 4.3931 4.5927 4.5927 5.1310 5.1310 5.2243 5.2243 5.4604 5.4604 5.6041 5.6041 5.6975 5.6975 5.7589 5.7589 5.9439 5.9439 6.0793 6.0793 6.6531 6.6531 6.8362 6.8362 6.9788 6.9788 7.0789 7.0789 7.4019 7.4019 7.4795 7.4795 7.7118 7.7118 7.7518 7.7518 8.0911 8.0911 8.2402 8.2402 8.3208 8.3208 8.5111 8.5111 9.3925 9.3925 10.0455 10.0455 11.5906 11.5906 11.8616 11.8616 14.7843 14.7843 15.6380 15.6380 16.2623 16.2623 16.3294 16.3294 16.5332 16.5332 16.7809 16.7809 k = 0.0000 0.2682 0.0778 ( 4201 PWs) bands (ev): 2.4616 2.4616 2.6286 2.6286 4.3280 4.3280 4.5426 4.5426 5.1386 5.1386 5.2369 5.2369 5.4536 5.4536 5.6065 5.6065 5.7016 5.7016 5.7616 5.7616 5.9420 5.9420 6.0793 6.0793 6.6397 6.6397 6.8316 6.8316 6.9938 6.9938 7.0867 7.0867 7.3979 7.3979 7.4779 7.4779 7.7005 7.7005 7.7404 7.7404 8.0860 8.0860 8.2277 8.2277 8.3155 8.3155 8.4729 8.4729 9.5165 9.5165 10.1814 10.1814 11.5673 11.5673 11.8685 11.8685 14.7344 14.7344 15.5712 15.5712 16.2762 16.2762 16.3027 16.3027 16.5710 16.5710 16.6931 16.6931 k = 0.0000 0.2687 0.0881 ( 4199 PWs) bands (ev): 2.4897 2.4897 2.6567 2.6567 4.2605 4.2605 4.4898 4.4898 5.1441 5.1441 5.2485 5.2485 5.4472 5.4472 5.6078 5.6078 5.7059 5.7059 5.7630 5.7630 5.9394 5.9394 6.0785 6.0785 6.6301 6.6301 6.8286 6.8286 7.0089 7.0089 7.0954 7.0954 7.3937 7.3937 7.4758 7.4758 7.6890 7.6890 7.7286 7.7286 8.0818 8.0818 8.2163 8.2163 8.3099 8.3099 8.4385 8.4385 9.6454 9.6454 10.3200 10.3200 11.5445 11.5445 11.8756 11.8756 14.6874 14.6874 15.4999 15.4999 16.1767 16.1767 16.3071 16.3071 16.5733 16.5733 16.7064 16.7064 k = 0.0000 0.2693 0.0983 ( 4197 PWs) bands (ev): 2.5207 2.5207 2.6877 2.6877 4.1909 4.1909 4.4348 4.4348 5.1478 5.1478 5.2589 5.2589 5.4412 5.4412 5.6084 5.6084 5.7100 5.7100 5.7630 5.7630 5.9362 5.9362 6.0770 6.0770 6.6245 6.6245 6.8273 6.8273 7.0243 7.0243 7.1051 7.1051 7.3894 7.3894 7.4732 7.4732 7.6772 7.6772 7.7167 7.7167 8.0783 8.0783 8.2057 8.2057 8.3034 8.3034 8.4084 8.4084 9.7783 9.7783 10.4597 10.4597 11.5231 11.5231 11.8835 11.8835 14.6438 14.6438 15.4251 15.4251 16.0177 16.0177 16.2986 16.2986 16.5896 16.5896 16.7129 16.7129 k = 0.0000 0.2699 0.1086 ( 4206 PWs) bands (ev): 2.5544 2.5544 2.7214 2.7214 4.1196 4.1196 4.3777 4.3777 5.1498 5.1498 5.2680 5.2680 5.4358 5.4358 5.6085 5.6085 5.7136 5.7136 5.7617 5.7617 5.9325 5.9325 6.0747 6.0747 6.6227 6.6227 6.8278 6.8278 7.0399 7.0399 7.1157 7.1157 7.3851 7.3851 7.4700 7.4700 7.6651 7.6651 7.7051 7.7051 8.0757 8.0757 8.1956 8.1956 8.2951 8.2951 8.3829 8.3829 9.9138 9.9138 10.5989 10.5989 11.5044 11.5044 11.8928 11.8928 14.6037 14.6037 15.3470 15.3470 15.8404 15.8404 16.2461 16.2461 16.6186 16.6186 16.6871 16.6871 k = 0.0000 0.2704 0.1188 ( 4205 PWs) bands (ev): 2.5908 2.5908 2.7578 2.7578 4.0470 4.0470 4.3190 4.3190 5.1505 5.1505 5.2757 5.2757 5.4311 5.4311 5.6083 5.6083 5.7165 5.7165 5.7589 5.7589 5.9284 5.9284 6.0717 6.0717 6.6244 6.6244 6.8302 6.8302 7.0560 7.0560 7.1273 7.1273 7.3809 7.3809 7.4663 7.4663 7.6523 7.6523 7.6942 7.6942 8.0738 8.0738 8.1859 8.1859 8.2844 8.2844 8.3627 8.3627 10.0511 10.0511 10.7346 10.7346 11.4903 11.4903 11.9045 11.9045 14.5673 14.5673 15.2642 15.2642 15.6588 15.6588 16.1426 16.1426 16.6462 16.6462 16.6945 16.6945 k = 0.0000 0.2710 0.1291 ( 4201 PWs) bands (ev): 2.6299 2.6299 2.7968 2.7968 3.9733 3.9733 4.2587 4.2587 5.1501 5.1501 5.2819 5.2819 5.4273 5.4273 5.6081 5.6081 5.7187 5.7187 5.7549 5.7549 5.9240 5.9240 6.0684 6.0684 6.6289 6.6289 6.8343 6.8343 7.0726 7.0726 7.1396 7.1396 7.3768 7.3768 7.4619 7.4619 7.6388 7.6388 7.6843 7.6843 8.0726 8.0726 8.1765 8.1765 8.2709 8.2709 8.3478 8.3478 10.1888 10.1888 10.8623 10.8623 11.4841 11.4841 11.9204 11.9204 14.5347 14.5347 15.1745 15.1745 15.4797 15.4797 16.0079 16.0079 16.6759 16.6759 16.7353 16.7353 k = 0.0000 0.2715 0.1393 ( 4193 PWs) bands (ev): 2.6716 2.6716 2.8383 2.8383 3.8990 3.8990 4.1972 4.1972 5.1487 5.1487 5.2865 5.2865 5.4245 5.4245 5.6079 5.6079 5.7201 5.7201 5.7498 5.7498 5.9197 5.9197 6.0649 6.0649 6.6357 6.6357 6.8398 6.8398 7.0897 7.0897 7.1527 7.1527 7.3729 7.3729 7.4569 7.4569 7.6247 7.6247 7.6754 7.6754 8.0721 8.0721 8.1675 8.1675 8.2551 8.2551 8.3373 8.3373 10.3255 10.3255 10.9753 10.9753 11.4904 11.4904 11.9428 11.9428 14.5057 14.5057 15.0736 15.0736 15.3078 15.3078 15.8637 15.8637 16.7163 16.7163 16.7879 16.7879 k = 0.0000 0.2721 0.1496 ( 4197 PWs) bands (ev): 2.7159 2.7159 2.8822 2.8822 3.8243 3.8243 4.1348 4.1348 5.1468 5.1468 5.2895 5.2895 5.4226 5.4226 5.6077 5.6077 5.7207 5.7207 5.7441 5.7441 5.9153 5.9153 6.0613 6.0613 6.6440 6.6440 6.8464 6.8464 7.1073 7.1073 7.1663 7.1663 7.3694 7.3694 7.4512 7.4512 7.6100 7.6100 7.6676 7.6676 8.0721 8.0721 8.1587 8.1587 8.2384 8.2384 8.3300 8.3300 10.4592 10.4592 11.0647 11.0647 11.5145 11.5145 11.9761 11.9761 14.4802 14.4802 14.9573 14.9573 15.1466 15.1466 15.7234 15.7234 16.7653 16.7653 16.8464 16.8464 k = 0.0000 0.2727 0.1598 ( 4202 PWs) bands (ev): 2.7626 2.7626 2.9284 2.9284 3.7495 3.7495 4.0715 4.0715 5.1444 5.1444 5.2911 5.2911 5.4218 5.4218 5.6077 5.6077 5.7203 5.7203 5.7382 5.7382 5.9112 5.9112 6.0579 6.0579 6.6532 6.6532 6.8538 6.8538 7.1251 7.1251 7.1802 7.1802 7.3663 7.3663 7.4451 7.4451 7.5949 7.5949 7.6608 7.6608 8.0728 8.0728 8.1503 8.1503 8.2216 8.2216 8.3247 8.3247 10.5874 10.5874 11.1257 11.1257 11.5564 11.5564 12.0260 12.0260 14.4577 14.4577 14.8255 14.8255 14.9954 14.9954 15.5954 15.5954 16.8205 16.8205 16.9093 16.9093 k = 0.0000 0.2732 0.1701 ( 4212 PWs) bands (ev): 2.8117 2.8117 2.9766 2.9766 3.6752 3.6752 4.0078 4.0078 5.1418 5.1418 5.2915 5.2915 5.4217 5.4217 5.6077 5.6077 5.7186 5.7186 5.7330 5.7330 5.9073 5.9073 6.0548 6.0548 6.6626 6.6626 6.8617 6.8617 7.1431 7.1431 7.1944 7.1944 7.3637 7.3637 7.4386 7.4386 7.5795 7.5795 7.6550 7.6550 8.0740 8.0740 8.1423 8.1423 8.2054 8.2054 8.3206 8.3206 10.7063 10.7063 11.1638 11.1638 11.6058 11.6058 12.0992 12.0992 14.4369 14.4369 14.6860 14.6860 14.8478 14.8478 15.4846 15.4846 16.8803 16.8803 16.9759 16.9759 k = 0.0000 0.2738 0.1803 ( 4209 PWs) bands (ev): 2.8630 2.8630 3.0266 3.0266 3.6018 3.6018 3.9439 3.9439 5.1393 5.1393 5.2910 5.2910 5.4223 5.4223 5.6078 5.6078 5.7150 5.7150 5.7293 5.7293 5.9038 5.9038 6.0520 6.0520 6.6718 6.6718 6.8696 6.8696 7.1606 7.1606 7.2085 7.2085 7.3616 7.3616 7.4320 7.4320 7.5640 7.5640 7.6501 7.6501 8.0758 8.0758 8.1349 8.1349 8.1901 8.1901 8.3174 8.3174 10.8100 10.8100 11.1921 11.1921 11.6500 11.6500 12.1987 12.1987 14.4128 14.4128 14.5511 14.5511 14.6999 14.6999 15.3922 15.3922 16.9439 16.9439 17.0456 17.0456 k = 0.0000 0.2744 0.1906 ( 4209 PWs) bands (ev): 2.9165 2.9165 3.0776 3.0776 3.5301 3.5301 3.8799 3.8799 5.1369 5.1369 5.2897 5.2897 5.4233 5.4233 5.6079 5.6079 5.7101 5.7101 5.7271 5.7271 5.9006 5.9006 6.0496 6.0496 6.6803 6.6803 6.8772 6.8772 7.1772 7.1772 7.2226 7.2226 7.3599 7.3599 7.4256 7.4256 7.5487 7.5487 7.6461 7.6461 8.0782 8.0782 8.1283 8.1283 8.1759 8.1759 8.3149 8.3149 10.8908 10.8908 11.2238 11.2238 11.6827 11.6827 12.3216 12.3216 14.3611 14.3611 14.4423 14.4423 14.5605 14.5605 15.3166 15.3166 17.0105 17.0105 17.1181 17.1181 k = 0.0000 0.2749 0.2008 ( 4215 PWs) bands (ev): 2.9717 2.9717 3.1286 3.1286 3.4614 3.4614 3.8163 3.8163 5.1348 5.1348 5.2880 5.2880 5.4244 5.4244 5.6081 5.6081 5.7049 5.7049 5.7257 5.7257 5.8980 5.8980 6.0475 6.0475 6.6879 6.6879 6.8841 6.8841 7.1921 7.1921 7.2367 7.2367 7.3580 7.3580 7.4204 7.4204 7.5337 7.5337 7.6429 7.6429 8.0810 8.0810 8.1227 8.1227 8.1629 8.1629 8.3128 8.3128 10.9429 10.9429 11.2668 11.2668 11.7046 11.7046 12.4613 12.4613 14.2553 14.2553 14.3474 14.3474 14.4760 14.4760 15.2552 15.2552 17.0795 17.0795 17.1929 17.1929 k = 0.0000 0.2755 0.2111 ( 4212 PWs) bands (ev): 3.0285 3.0285 3.1755 3.1755 3.3999 3.3999 3.7534 3.7534 5.1333 5.1333 5.2862 5.2862 5.4254 5.4254 5.6082 5.6082 5.7000 5.7000 5.7247 5.7247 5.8958 5.8958 6.0459 6.0459 6.6942 6.6942 6.8902 6.8902 7.2043 7.2043 7.2508 7.2508 7.3552 7.3552 7.4170 7.4170 7.5194 7.5194 7.6406 7.6406 8.0844 8.0844 8.1184 8.1184 8.1511 8.1511 8.3112 8.3112 10.9689 10.9689 11.3176 11.3176 11.7181 11.7181 12.6107 12.6107 14.1255 14.1255 14.2375 14.2375 14.4538 14.4538 15.2054 15.2054 17.1501 17.1501 17.2689 17.2689 k = 0.0000 0.2760 0.2213 ( 4204 PWs) bands (ev): 3.0858 3.0858 3.2051 3.2051 3.3597 3.3597 3.6916 3.6916 5.1323 5.1323 5.2844 5.2844 5.4260 5.4260 5.6082 5.6082 5.6959 5.6959 5.7240 5.7240 5.8941 5.8941 6.0446 6.0446 6.6992 6.6992 6.8950 6.8950 7.2135 7.2135 7.2644 7.2644 7.3511 7.3511 7.4163 7.4163 7.5063 7.5063 7.6393 7.6393 8.0882 8.0882 8.1155 8.1155 8.1405 8.1405 8.3099 8.3099 10.9775 10.9775 11.3645 11.3645 11.7261 11.7261 12.7627 12.7627 13.9803 13.9803 14.1569 14.1569 14.4509 14.4509 15.1652 15.1652 17.2206 17.2206 17.3431 17.3431 k = 0.0000 0.2766 0.2316 ( 4200 PWs) bands (ev): 3.1376 3.1376 3.1960 3.1960 3.3673 3.3673 3.6316 3.6316 5.1319 5.1319 5.2828 5.2828 5.4263 5.4263 5.6081 5.6081 5.6930 5.6930 5.7234 5.7234 5.8930 5.8930 6.0437 6.0437 6.7028 6.7028 6.8985 6.8985 7.2196 7.2196 7.2756 7.2756 7.3466 7.3466 7.4179 7.4179 7.4953 7.4953 7.6389 7.6389 8.0921 8.0921 8.1146 8.1146 8.1312 8.1312 8.3089 8.3089 10.9761 10.9761 11.3956 11.3956 11.7321 11.7321 12.9072 12.9072 13.8373 13.8373 14.1116 14.1116 14.4561 14.4561 15.1332 15.1332 17.2855 17.2855 17.3919 17.3919 k = 0.5000 0.2496 0.2604 ( 4120 PWs) bands (ev): 4.4522 4.4522 4.4553 4.4553 4.6512 4.6512 4.6532 4.6532 5.1808 5.1808 5.1969 5.1969 5.4543 5.4543 5.4759 5.4759 6.0250 6.0250 6.0271 6.0271 6.3899 6.3899 6.4100 6.4100 7.1598 7.1598 7.1638 7.1638 7.4128 7.4128 7.4253 7.4253 7.7361 7.7361 7.7396 7.7396 7.8294 7.8294 7.8482 7.8482 8.6171 8.6171 8.7068 8.7068 8.8697 8.8697 8.9627 8.9627 9.3578 9.3578 9.3759 9.3759 9.5634 9.5634 9.5840 9.5840 14.9168 14.9168 14.9608 14.9608 15.4625 15.4625 15.5122 15.5122 15.6748 15.6748 15.6810 15.6810 k = 0.5000 0.2392 0.2604 ( 4116 PWs) bands (ev): 4.4555 4.4555 4.4586 4.4586 4.6525 4.6525 4.6535 4.6535 5.1803 5.1803 5.2008 5.2008 5.4510 5.4510 5.4802 5.4802 6.0236 6.0236 6.0273 6.0273 6.3777 6.3777 6.4068 6.4068 7.1547 7.1547 7.1693 7.1693 7.4035 7.4035 7.4084 7.4084 7.7309 7.7309 7.7321 7.7321 7.8236 7.8236 7.8476 7.8476 8.6268 8.6268 8.7081 8.7081 8.8809 8.8809 8.9686 8.9686 9.3641 9.3641 9.3805 9.3805 9.5806 9.5806 9.6069 9.6069 14.9098 14.9098 14.9463 14.9463 15.4342 15.4342 15.4499 15.4499 15.6156 15.6156 15.6501 15.6501 k = 0.5000 0.2288 0.2604 ( 4128 PWs) bands (ev): 4.4602 4.4602 4.4632 4.4632 4.6547 4.6547 4.6548 4.6548 5.1806 5.1806 5.2056 5.2056 5.4479 5.4479 5.4848 5.4848 6.0192 6.0192 6.0284 6.0284 6.3628 6.3628 6.4006 6.4006 7.1483 7.1483 7.1746 7.1746 7.3862 7.3862 7.3866 7.3866 7.7200 7.7200 7.7226 7.7226 7.8164 7.8164 7.8439 7.8439 8.6446 8.6446 8.7155 8.7155 8.8961 8.8961 8.9762 8.9762 9.3741 9.3741 9.3878 9.3878 9.6073 9.6073 9.6387 9.6387 14.8946 14.8946 14.9214 14.9214 15.3729 15.3729 15.3836 15.3836 15.5457 15.5457 15.5933 15.5933 k = 0.5000 0.2184 0.2604 ( 4120 PWs) bands (ev): 4.4663 4.4663 4.4692 4.4692 4.6570 4.6570 4.6579 4.6579 5.1816 5.1816 5.2111 5.2111 5.4450 5.4450 5.4896 5.4896 6.0139 6.0139 6.0283 6.0283 6.3455 6.3455 6.3918 6.3918 7.1394 7.1394 7.1791 7.1791 7.3619 7.3619 7.3622 7.3622 7.7078 7.7078 7.7079 7.7079 7.8086 7.8086 7.8370 7.8370 8.6691 8.6691 8.7284 8.7284 8.9143 8.9143 8.9848 8.9848 9.3881 9.3881 9.3981 9.3981 9.6432 9.6432 9.6788 9.6788 14.8706 14.8706 14.8856 14.8856 15.2833 15.2833 15.3055 15.3055 15.4812 15.4812 15.5223 15.5223 k = 0.5000 0.2080 0.2604 ( 4124 PWs) bands (ev): 4.4737 4.4737 4.4766 4.4766 4.6602 4.6602 4.6620 4.6620 5.1832 5.1832 5.2173 5.2173 5.4421 5.4421 5.4945 5.4945 6.0078 6.0078 6.0270 6.0270 6.3261 6.3261 6.3804 6.3804 7.1263 7.1263 7.1818 7.1818 7.3323 7.3323 7.3378 7.3378 7.6884 7.6884 7.6948 7.6948 7.8007 7.8007 7.8276 7.8276 8.6984 8.6984 8.7455 8.7455 8.9344 8.9344 8.9940 8.9940 9.4064 9.4064 9.4122 9.4122 9.6877 9.6877 9.7267 9.7267 14.8368 14.8368 14.8390 14.8390 15.1822 15.1822 15.2029 15.2029 15.4269 15.4269 15.4469 15.4469 k = 0.5000 0.1976 0.2604 ( 4130 PWs) bands (ev): 4.4824 4.4824 4.4852 4.4852 4.6642 4.6642 4.6670 4.6670 5.1855 5.1855 5.2243 5.2243 5.4394 5.4394 5.4995 5.4995 6.0011 6.0011 6.0245 6.0245 6.3048 6.3048 6.3669 6.3669 7.1077 7.1077 7.1808 7.1808 7.3006 7.3006 7.3156 7.3156 7.6655 7.6655 7.6809 7.6809 7.7931 7.7931 7.8162 7.8162 8.7303 8.7303 8.7655 8.7655 8.9556 8.9556 9.0034 9.0034 9.4297 9.4297 9.4309 9.4309 9.7399 9.7399 9.7818 9.7818 14.7820 14.7820 14.7925 14.7925 15.0716 15.0716 15.0858 15.0858 15.3731 15.3731 15.3780 15.3780 k = 0.5000 0.1872 0.2604 ( 4134 PWs) bands (ev): 4.4923 4.4923 4.4949 4.4949 4.6692 4.6692 4.6729 4.6729 5.1885 5.1885 5.2319 5.2319 5.4367 5.4367 5.5045 5.5045 5.9939 5.9939 6.0208 6.0208 6.2821 6.2821 6.3515 6.3515 7.0825 7.0825 7.1720 7.1720 7.2718 7.2718 7.2973 7.2973 7.6406 7.6406 7.6661 7.6661 7.7858 7.7858 7.8040 7.8040 8.7627 8.7627 8.7867 8.7867 8.9768 8.9768 9.0130 9.0130 9.4552 9.4552 9.4585 9.4585 9.7992 9.7992 9.8432 9.8432 14.7149 14.7149 14.7370 14.7370 14.9543 14.9543 14.9619 14.9619 15.3037 15.3037 15.3306 15.3306 k = 0.5000 0.1768 0.2604 ( 4134 PWs) bands (ev): 4.5033 4.5033 4.5058 4.5058 4.6749 4.6749 4.6796 4.6796 5.1919 5.1919 5.2400 5.2400 5.4339 5.4339 5.5092 5.5092 5.9862 5.9862 6.0159 6.0159 6.2581 6.2581 6.3346 6.3346 7.0513 7.0513 7.1504 7.1504 7.2521 7.2521 7.2826 7.2826 7.6154 7.6154 7.6506 7.6506 7.7788 7.7788 7.7916 7.7916 8.7937 8.7937 8.8077 8.8077 8.9974 8.9974 9.0225 9.0225 9.4858 9.4858 9.4933 9.4933 9.8645 9.8645 9.9100 9.9100 14.6379 14.6379 14.6695 14.6695 14.8338 14.8338 14.8360 14.8360 15.2400 15.2400 15.2835 15.2835 k = 0.5000 0.1664 0.2604 ( 4132 PWs) bands (ev): 4.5153 4.5153 4.5176 4.5176 4.6815 4.6815 4.6870 4.6870 5.1959 5.1959 5.2487 5.2487 5.4310 5.4310 5.5137 5.5137 5.9783 5.9783 6.0098 6.0098 6.2334 6.2334 6.3165 6.3165 7.0154 7.0154 7.1164 7.1164 7.2416 7.2416 7.2703 7.2703 7.5914 7.5914 7.6348 7.6348 7.7719 7.7719 7.7795 7.7795 8.8221 8.8221 8.8277 8.8277 9.0165 9.0165 9.0320 9.0320 9.5232 9.5232 9.5344 9.5344 9.9350 9.9350 9.9813 9.9813 14.5511 14.5511 14.5892 14.5892 14.7113 14.7113 14.7136 14.7136 15.1823 15.1823 15.2365 15.2365 k = 0.5000 0.1560 0.2604 ( 4130 PWs) bands (ev): 4.5281 4.5281 4.5303 4.5303 4.6888 4.6888 4.6951 4.6951 5.2003 5.2003 5.2579 5.2579 5.4279 5.4279 5.5177 5.5177 5.9703 5.9703 6.0027 6.0027 6.2081 6.2081 6.2975 6.2975 6.9768 6.9768 7.0754 7.0754 7.2354 7.2354 7.2588 7.2588 7.5700 7.5700 7.6194 7.6194 7.7650 7.7650 7.7680 7.7680 8.8459 8.8459 8.8469 8.8469 9.0336 9.0336 9.0412 9.0412 9.5675 9.5675 9.5818 9.5818 10.0097 10.0097 10.0563 10.0563 14.4546 14.4546 14.4952 14.4952 14.5904 14.5904 14.5976 14.5976 15.1305 15.1305 15.1904 15.1904 k = 0.5000 0.1456 0.2604 ( 4136 PWs) bands (ev): 4.5417 4.5417 4.5437 4.5437 4.6967 4.6967 4.7039 4.7039 5.2050 5.2050 5.2673 5.2673 5.4246 5.4246 5.5211 5.5211 5.9624 5.9624 5.9945 5.9945 6.1826 6.1826 6.2778 6.2778 6.9370 6.9370 7.0317 7.0317 7.2297 7.2297 7.2465 7.2465 7.5522 7.5522 7.6053 7.6053 7.7571 7.7571 7.7580 7.7580 8.8622 8.8622 8.8680 8.8680 9.0483 9.0483 9.0499 9.0499 9.6184 9.6184 9.6351 9.6351 10.0877 10.0877 10.1339 10.1339 14.3493 14.3493 14.3885 14.3885 14.4749 14.4749 14.4880 14.4880 15.0841 15.0841 15.1458 15.1458 k = 0.5000 0.1352 0.2604 ( 4140 PWs) bands (ev): 4.5559 4.5559 4.5577 4.5577 4.7052 4.7052 4.7132 4.7132 5.2101 5.2101 5.2770 5.2770 5.4211 5.4211 5.5236 5.5236 5.9547 5.9547 5.9854 5.9854 6.1573 6.1573 6.2577 6.2577 6.8973 6.8973 6.9875 6.9875 7.2227 7.2227 7.2326 7.2326 7.5388 7.5388 7.5932 7.5932 7.7466 7.7466 7.7508 7.7508 8.8765 8.8765 8.8855 8.8855 9.0580 9.0580 9.0606 9.0606 9.6749 9.6749 9.6934 9.6934 10.1680 10.1680 10.2135 10.2135 14.2379 14.2379 14.2737 14.2737 14.3642 14.3642 14.3829 14.3829 15.0427 15.0427 15.1034 15.1034 k = 0.5000 0.1248 0.2604 ( 4140 PWs) bands (ev): 4.5705 4.5705 4.5720 4.5720 4.7142 4.7142 4.7228 4.7228 5.2154 5.2154 5.2867 5.2867 5.4174 5.4174 5.5252 5.5252 5.9476 5.9476 5.9756 5.9756 6.1325 6.1325 6.2373 6.2373 6.8588 6.8588 6.9441 6.9441 7.2137 7.2137 7.2168 7.2168 7.5300 7.5300 7.5837 7.5837 7.7366 7.7366 7.7435 7.7435 8.8891 8.8891 8.8999 8.8999 9.0654 9.0654 9.0706 9.0706 9.7359 9.7359 9.7558 9.7558 10.2498 10.2498 10.2941 10.2941 14.1239 14.1239 14.1563 14.1563 14.2571 14.2571 14.2797 14.2797 15.0057 15.0057 15.0634 15.0634 k = 0.5000 0.1144 0.2604 ( 4144 PWs) bands (ev): 4.5853 4.5853 4.5866 4.5866 4.7235 4.7235 4.7328 4.7328 5.2208 5.2208 5.2962 5.2962 5.4135 5.4135 5.5257 5.5257 5.9409 5.9409 5.9653 5.9653 6.1085 6.1085 6.2167 6.2167 6.8223 6.8223 6.9023 6.9023 7.1992 7.1992 7.2024 7.2024 7.5254 7.5254 7.5770 7.5770 7.7268 7.7268 7.7359 7.7359 8.9000 8.9000 8.9115 8.9115 9.0719 9.0719 9.0785 9.0785 9.8003 9.8003 9.8209 9.8209 10.3320 10.3320 10.3747 10.3747 14.0107 14.0107 14.0402 14.0402 14.1524 14.1524 14.1774 14.1774 14.9727 14.9727 15.0263 15.0263 k = 0.5000 0.1040 0.2604 ( 4150 PWs) bands (ev): 4.6001 4.6001 4.6010 4.6010 4.7332 4.7332 4.7429 4.7429 5.2264 5.2264 5.3052 5.3052 5.4098 5.4098 5.5250 5.5250 5.9350 5.9350 5.9546 5.9546 6.0858 6.0858 6.1961 6.1961 6.7885 6.7885 6.8626 6.8626 7.1805 7.1805 7.1892 7.1892 7.5245 7.5245 7.5732 7.5732 7.7172 7.7172 7.7281 7.7281 8.9096 8.9096 8.9210 8.9210 9.0776 9.0776 9.0848 9.0848 9.8666 9.8666 9.8876 9.8876 10.4138 10.4138 10.4544 10.4544 13.9008 13.9008 13.9276 13.9276 14.0500 14.0500 14.0762 14.0762 14.9433 14.9433 14.9922 14.9922 k = 0.5000 0.0936 0.2604 ( 4152 PWs) bands (ev): 4.6146 4.6146 4.6153 4.6153 4.7429 4.7429 4.7530 4.7530 5.2321 5.2321 5.3132 5.3132 5.4067 5.4067 5.5230 5.5230 5.9297 5.9297 5.9440 5.9440 6.0648 6.0648 6.1756 6.1756 6.7578 6.7578 6.8256 6.8256 7.1615 7.1615 7.1744 7.1744 7.5266 7.5266 7.5720 7.5720 7.7076 7.7076 7.7202 7.7202 8.9178 8.9178 8.9287 8.9287 9.0824 9.0824 9.0896 9.0896 9.9334 9.9334 9.9543 9.9543 10.4941 10.4941 10.5323 10.5323 13.7960 13.7960 13.8202 13.8202 13.9504 13.9504 13.9769 13.9769 14.9173 14.9173 14.9612 14.9612 k = 0.5000 0.0832 0.2604 ( 4146 PWs) bands (ev): 4.6286 4.6286 4.6289 4.6289 4.7526 4.7526 4.7628 4.7628 5.2378 5.2378 5.3196 5.3196 5.4046 5.4046 5.5196 5.5196 5.9250 5.9250 5.9337 5.9337 6.0460 6.0460 6.1552 6.1552 6.7305 6.7305 6.7916 6.7916 7.1428 7.1428 7.1587 7.1587 7.5310 7.5310 7.5731 7.5731 7.6982 7.6982 7.7120 7.7120 8.9250 8.9250 8.9349 8.9349 9.0864 9.0864 9.0933 9.0933 9.9995 9.9995 10.0198 10.0198 10.5717 10.5717 10.6071 10.6071 13.6980 13.6980 13.7195 13.7195 13.8545 13.8545 13.8807 13.8807 14.8946 14.8946 14.9333 14.9333 k = 0.5000 0.0728 0.2604 ( 4146 PWs) bands (ev): 4.6418 4.6418 4.6418 4.6418 4.7621 4.7621 4.7722 4.7722 5.2436 5.2436 5.3235 5.3235 5.4045 5.4045 5.5150 5.5150 5.9206 5.9206 5.9239 5.9239 6.0299 6.0299 6.1351 6.1351 6.7068 6.7068 6.7609 6.7609 7.1252 7.1252 7.1427 7.1427 7.5372 7.5372 7.5759 7.5759 7.6888 7.6888 7.7037 7.7037 8.9311 8.9311 8.9400 8.9400 9.0898 9.0898 9.0961 9.0961 10.0632 10.0632 10.0825 10.0825 10.6455 10.6455 10.6777 10.6777 13.6082 13.6082 13.6269 13.6269 13.7636 13.7636 13.7890 13.7890 14.8749 14.8749 14.9085 14.9085 k = 0.5000 0.0624 0.2604 ( 4150 PWs) bands (ev): 4.6537 4.6537 4.6538 4.6538 4.7713 4.7713 4.7809 4.7809 5.2495 5.2495 5.3244 5.3244 5.4069 5.4069 5.5092 5.5092 5.9151 5.9151 5.9163 5.9163 6.0172 6.0172 6.1154 6.1154 6.6870 6.6870 6.7335 6.7335 7.1093 7.1093 7.1271 7.1271 7.5447 7.5447 7.5801 7.5801 7.6796 7.6796 7.6953 7.6953 8.9364 8.9364 8.9440 8.9440 9.0926 9.0926 9.0981 9.0981 10.1232 10.1232 10.1410 10.1410 10.7142 10.7142 10.7428 10.7428 13.5281 13.5281 13.5437 13.5437 13.6789 13.6789 13.7031 13.7031 14.8583 14.8583 14.8868 14.8868 k = 0.5000 0.0520 0.2604 ( 4150 PWs) bands (ev): 4.6642 4.6642 4.6645 4.6645 4.7798 4.7798 4.7886 4.7886 5.2555 5.2555 5.3223 5.3223 5.4119 5.4119 5.5023 5.5023 5.9073 5.9073 5.9118 5.9118 6.0083 6.0083 6.0965 6.0965 6.6709 6.6709 6.7098 6.7098 7.0956 7.0956 7.1124 7.1124 7.5529 7.5529 7.5851 7.5851 7.6707 7.6707 7.6869 7.6869 8.9408 8.9408 8.9472 8.9472 9.0949 9.0949 9.0995 9.0995 10.1779 10.1779 10.1938 10.1938 10.7762 10.7762 10.8008 10.8008 13.4589 13.4589 13.4713 13.4713 13.6023 13.6023 13.6246 13.6246 14.8446 14.8446 14.8682 14.8682 k = 0.5000 0.0416 0.2604 ( 4150 PWs) bands (ev): 4.6732 4.6732 4.6736 4.6736 4.7875 4.7875 4.7952 4.7952 5.2617 5.2617 5.3178 5.3178 5.4190 5.4190 5.4944 5.4944 5.9010 5.9010 5.9070 5.9070 6.0036 6.0036 6.0785 6.0785 6.6586 6.6586 6.6897 6.6897 7.0843 7.0843 7.0991 7.0991 7.5617 7.5617 7.5903 7.5903 7.6623 7.6623 7.6785 7.6785 8.9445 8.9445 8.9495 8.9495 9.0967 9.0967 9.1004 9.1004 10.2258 10.2258 10.2393 10.2393 10.8302 10.8302 10.8505 10.8505 13.4016 13.4016 13.4109 13.4109 13.5356 13.5356 13.5553 13.5553 14.8339 14.8339 14.8526 14.8526 k = 0.5000 0.0312 0.2604 ( 4138 PWs) bands (ev): 4.6805 4.6805 4.6809 4.6809 4.7941 4.7941 4.8003 4.8003 5.2682 5.2682 5.3117 5.3117 5.4275 5.4275 5.4858 5.4858 5.8962 5.8962 5.9022 5.9022 6.0030 6.0030 6.0617 6.0617 6.6500 6.6500 6.6733 6.6733 7.0759 7.0759 7.0878 7.0878 7.5707 7.5707 7.5950 7.5950 7.6552 7.6552 7.6703 7.6703 8.9474 8.9474 8.9512 8.9512 9.0982 9.0982 9.1010 9.1010 10.2655 10.2655 10.2761 10.2761 10.8747 10.8747 10.8903 10.8903 13.3572 13.3572 13.3634 13.3634 13.4809 13.4809 13.4971 13.4971 14.8260 14.8260 14.8400 14.8400 k = 0.5000 0.0208 0.2604 ( 4136 PWs) bands (ev): 4.6859 4.6859 4.6862 4.6862 4.7994 4.7994 4.8037 4.8037 5.2749 5.2749 5.3046 5.3046 5.4370 5.4370 5.4766 5.4766 5.8931 5.8931 5.8978 5.8978 6.0061 6.0061 6.0464 6.0464 6.6450 6.6450 6.6605 6.6605 7.0704 7.0704 7.0787 7.0787 7.5795 7.5795 7.5979 7.5979 7.6502 7.6502 7.6626 7.6626 8.9497 8.9497 8.9522 8.9522 9.0993 9.0993 9.1012 9.1012 10.2955 10.2955 10.3028 10.3028 10.9085 10.9085 10.9190 10.9190 13.3259 13.3259 13.3294 13.3294 13.4405 13.4405 13.4522 13.4522 14.8211 14.8211 14.8304 14.8304 k = 0.5000 0.0104 0.2604 ( 4130 PWs) bands (ev): 4.6892 4.6892 4.6894 4.6894 4.8032 4.8032 4.8054 4.8054 5.2820 5.2820 5.2970 5.2970 5.4469 5.4469 5.4669 5.4669 5.8918 5.8918 5.8943 5.8943 6.0124 6.0124 6.0329 6.0329 6.6436 6.6436 6.6513 6.6513 7.0680 7.0680 7.0723 7.0723 7.5875 7.5875 7.5977 7.5977 7.6486 7.6486 7.6559 7.6559 8.9513 8.9513 8.9525 8.9525 9.1002 9.1002 9.1011 9.1011 10.3148 10.3148 10.3185 10.3185 10.9302 10.9302 10.9356 10.9356 13.3076 13.3076 13.3091 13.3091 13.4164 13.4164 13.4227 13.4227 14.8191 14.8191 14.8237 14.8237 k = 0.5000-0.0000 0.2604 ( 4136 PWs) bands (ev): 4.6904 4.6904 4.6904 4.6904 4.8052 4.8052 4.8052 4.8052 5.2895 5.2895 5.2895 5.2895 5.4569 5.4569 5.4569 5.4569 5.8922 5.8922 5.8922 5.8922 6.0214 6.0214 6.0214 6.0214 6.6456 6.6456 6.6456 6.6456 7.0686 7.0686 7.0686 7.0686 7.5940 7.5940 7.5940 7.5940 7.6508 7.6508 7.6508 7.6508 8.9522 8.9522 8.9522 8.9522 9.1008 9.1008 9.1008 9.1008 10.3226 10.3226 10.3226 10.3226 10.9394 10.9394 10.9394 10.9394 13.3020 13.3020 13.3020 13.3020 13.4104 13.4104 13.4104 13.4104 14.8199 14.8199 14.8199 14.8199 k = 0.5000-0.0000 0.2604 ( 4136 PWs) bands (ev): 4.6904 4.6904 4.6904 4.6904 4.8052 4.8052 4.8052 4.8052 5.2895 5.2895 5.2895 5.2895 5.4569 5.4569 5.4569 5.4569 5.8922 5.8922 5.8922 5.8922 6.0214 6.0214 6.0214 6.0214 6.6456 6.6456 6.6456 6.6456 7.0686 7.0686 7.0686 7.0686 7.5940 7.5940 7.5940 7.5940 7.6508 7.6508 7.6508 7.6508 8.9522 8.9522 8.9522 8.9522 9.1008 9.1008 9.1008 9.1008 10.3226 10.3226 10.3226 10.3226 10.9394 10.9394 10.9394 10.9394 13.3020 13.3020 13.3020 13.3020 13.4104 13.4104 13.4104 13.4104 14.8199 14.8199 14.8199 14.8199 k = 0.5000-0.0000 0.2500 ( 4134 PWs) bands (ev): 4.6887 4.6887 4.6905 4.6905 4.8031 4.8031 4.8054 4.8054 5.2846 5.2846 5.2912 5.2912 5.4514 5.4514 5.4647 5.4647 5.8747 5.8747 5.9006 5.9006 6.0177 6.0177 6.0407 6.0407 6.6416 6.6416 6.6487 6.6487 7.0670 7.0670 7.0722 7.0722 7.5773 7.5773 7.5797 7.5797 7.6665 7.6665 7.6671 7.6671 8.9482 8.9482 8.9547 8.9547 9.0993 9.0993 9.1043 9.1043 10.3210 10.3210 10.3237 10.3237 10.9386 10.9386 10.9413 10.9413 13.2962 13.2962 13.2986 13.2986 13.4166 13.4166 13.4172 13.4172 14.7843 14.7843 14.7999 14.7999 k = 0.5000-0.0000 0.2396 ( 4130 PWs) bands (ev): 4.6855 4.6855 4.6891 4.6891 4.7991 4.7991 4.8037 4.8037 5.2774 5.2774 5.2896 5.2896 5.4485 5.4485 5.4737 5.4737 5.8545 5.8545 5.8963 5.8963 6.0328 6.0328 6.0689 6.0689 6.6368 6.6368 6.6508 6.6508 7.0672 7.0672 7.0775 7.0775 7.5485 7.5485 7.5522 7.5522 7.6966 7.6966 7.6967 7.6967 8.9431 8.9431 8.9555 8.9555 9.1002 9.1002 9.1096 9.1096 10.3190 10.3190 10.3244 10.3244 10.9389 10.9389 10.9444 10.9444 13.2835 13.2835 13.2881 13.2881 13.4333 13.4333 13.4349 13.4349 14.7020 14.7020 14.7304 14.7304 k = 0.5000-0.0000 0.2292 ( 4140 PWs) bands (ev): 4.6806 4.6806 4.6860 4.6860 4.7932 4.7932 4.8003 4.8003 5.2691 5.2691 5.2850 5.2850 5.4482 5.4482 5.4832 5.4832 5.8350 5.8350 5.8843 5.8843 6.0610 6.0610 6.1021 6.1021 6.6314 6.6314 6.6519 6.6519 7.0692 7.0692 7.0846 7.0846 7.5180 7.5180 7.5230 7.5230 7.7293 7.7293 7.7299 7.7299 8.9370 8.9370 8.9544 8.9544 9.1037 9.1037 9.1165 9.1165 10.3165 10.3165 10.3246 10.3246 10.9404 10.9404 10.9484 10.9484 13.2667 13.2667 13.2732 13.2732 13.4566 13.4566 13.4594 13.4594 14.5897 14.5897 14.6278 14.6278 k = 0.5000-0.0000 0.2188 ( 4144 PWs) bands (ev): 4.6738 4.6738 4.6811 4.6811 4.7857 4.7857 4.7954 4.7954 5.2607 5.2607 5.2787 5.2787 5.4500 5.4500 5.4925 5.4925 5.8178 5.8178 5.8702 5.8702 6.0959 6.0959 6.1382 6.1382 6.6256 6.6256 6.6520 6.6520 7.0729 7.0729 7.0933 7.0933 7.4879 7.4879 7.4944 7.4944 7.7628 7.7628 7.7643 7.7643 8.9304 8.9304 8.9514 8.9514 9.1100 9.1100 9.1247 9.1247 10.3138 10.3138 10.3243 10.3243 10.9430 10.9430 10.9534 10.9534 13.2464 13.2464 13.2548 13.2548 13.4837 13.4837 13.4881 13.4881 14.4627 14.4627 14.5084 14.5084 k = 0.5000-0.0000 0.2084 ( 4144 PWs) bands (ev): 4.6650 4.6650 4.6741 4.6741 4.7771 4.7771 4.7892 4.7892 5.2532 5.2532 5.2719 5.2719 5.4532 5.4532 5.5011 5.5011 5.8032 5.8032 5.8566 5.8566 6.1337 6.1337 6.1756 6.1756 6.6196 6.6196 6.6513 6.6513 7.0780 7.0780 7.1034 7.1034 7.4589 7.4589 7.4674 7.4674 7.7968 7.7968 7.7991 7.7991 8.9233 8.9233 8.9467 8.9467 9.1191 9.1191 9.1344 9.1344 10.3108 10.3108 10.3237 10.3237 10.9465 10.9465 10.9590 10.9590 13.2211 13.2211 13.2314 13.2314 13.5127 13.5127 13.5189 13.5189 14.3338 14.3338 14.3856 14.3856 k = 0.5000-0.0000 0.1979 ( 4140 PWs) bands (ev): 4.6539 4.6539 4.6644 4.6644 4.7679 4.7679 4.7823 4.7823 5.2471 5.2471 5.2657 5.2657 5.4571 5.4571 5.5087 5.5087 5.7913 5.7913 5.8443 5.8443 6.1724 6.1724 6.2129 6.2129 6.6138 6.6138 6.6497 6.6497 7.0846 7.0846 7.1148 7.1148 7.4317 7.4317 7.4425 7.4425 7.8309 7.8309 7.8343 7.8343 8.9159 8.9159 8.9406 8.9406 9.1311 9.1311 9.1457 9.1457 10.3076 10.3076 10.3226 10.3226 10.9508 10.9508 10.9651 10.9651 13.1876 13.1876 13.1996 13.1996 13.5420 13.5420 13.5499 13.5499 14.2140 14.2140 14.2706 14.2706 k = 0.5000-0.0000 0.1875 ( 4140 PWs) bands (ev): 4.6404 4.6404 4.6519 4.6519 4.7589 4.7589 4.7750 4.7750 5.2430 5.2430 5.2608 5.2608 5.4613 5.4613 5.5152 5.5152 5.7820 5.7820 5.8337 5.8337 6.2105 6.2105 6.2488 6.2488 6.6084 6.6084 6.6474 6.6474 7.0922 7.0922 7.1273 7.1273 7.4068 7.4068 7.4204 7.4204 7.8651 7.8651 7.8697 7.8697 8.9083 8.9083 8.9333 8.9333 9.1460 9.1460 9.1587 9.1587 10.3042 10.3042 10.3213 10.3213 10.9557 10.9557 10.9715 10.9715 13.1412 13.1412 13.1540 13.1540 13.5697 13.5697 13.5787 13.5787 14.1143 14.1143 14.1738 14.1738 k = 0.5000-0.0000 0.1771 ( 4144 PWs) bands (ev): 4.6244 4.6244 4.6363 4.6363 4.7506 4.7506 4.7678 4.7678 5.2409 5.2409 5.2578 5.2578 5.4656 5.4656 5.5206 5.5206 5.7751 5.7751 5.8248 5.8248 6.2466 6.2466 6.2820 6.2820 6.6036 6.6036 6.6443 6.6443 7.1010 7.1010 7.1408 7.1408 7.3847 7.3847 7.4014 7.4014 7.8994 7.8994 7.9052 7.9052 8.9006 8.9006 8.9251 8.9251 9.1640 9.1640 9.1739 9.1739 10.3008 10.3008 10.3197 10.3197 10.9609 10.9609 10.9779 10.9779 13.0766 13.0766 13.0890 13.0890 13.5944 13.5944 13.6031 13.6031 14.0448 14.0448 14.1041 14.1041 k = 0.5000-0.0000 0.1667 ( 4144 PWs) bands (ev): 4.6063 4.6063 4.6179 4.6179 4.7435 4.7435 4.7610 4.7610 5.2409 5.2409 5.2568 5.2568 5.4697 5.4697 5.5248 5.5248 5.7704 5.7704 5.8175 5.8175 6.2797 6.2797 6.3114 6.3114 6.5997 6.5997 6.6404 6.6404 7.1106 7.1106 7.1551 7.1551 7.3657 7.3657 7.3861 7.3861 7.9335 7.9335 7.9407 7.9407 8.8929 8.8929 8.9163 8.9163 9.1852 9.1852 9.1915 9.1915 10.2974 10.2974 10.3179 10.3179 10.9663 10.9663 10.9842 10.9842 12.9907 12.9907 13.0008 13.0008 13.6159 13.6159 13.6225 13.6225 14.0113 14.0113 14.0665 14.0665 k = 0.5000-0.0000 0.1563 ( 4142 PWs) bands (ev): 4.5864 4.5864 4.5973 4.5973 4.7375 4.7375 4.7548 4.7548 5.2429 5.2429 5.2576 5.2576 5.4735 5.4735 5.5280 5.5280 5.7678 5.7678 5.8118 5.8118 6.3091 6.3091 6.3359 6.3359 6.5966 6.5966 6.6355 6.6355 7.1213 7.1213 7.1700 7.1700 7.3503 7.3503 7.3747 7.3747 7.9675 7.9675 7.9762 7.9762 8.8852 8.8852 8.9071 8.9071 9.2099 9.2099 9.2122 9.2122 10.2941 10.2941 10.3160 10.3160 10.9715 10.9715 10.9900 10.9900 12.8839 12.8839 12.8904 12.8904 13.6359 13.6359 13.6395 13.6395 14.0112 14.0112 14.0599 14.0599 k = 0.5000-0.0000 0.1458 ( 4146 PWs) bands (ev): 4.5651 4.5651 4.5750 4.5750 4.7325 4.7325 4.7492 4.7492 5.2465 5.2465 5.2602 5.2602 5.4771 5.4771 5.5302 5.5302 5.7670 5.7670 5.8075 5.8075 6.3343 6.3343 6.3552 6.3552 6.5941 6.5941 6.6294 6.6294 7.1329 7.1329 7.1853 7.1853 7.3389 7.3389 7.3672 7.3672 8.0013 8.0013 8.0113 8.0113 8.8776 8.8776 8.8977 8.8977 9.2363 9.2363 9.2386 9.2386 10.2908 10.2908 10.3141 10.3141 10.9763 10.9763 10.9951 10.9951 12.7599 12.7599 12.7624 12.7624 13.6576 13.6576 13.6582 13.6582 14.0364 14.0364 14.0781 14.0781 k = 0.5000-0.0000 0.1354 ( 4142 PWs) bands (ev): 4.5431 4.5431 4.5519 4.5519 4.7285 4.7285 4.7443 4.7443 5.2515 5.2515 5.2642 5.2642 5.4804 5.4804 5.5316 5.5316 5.7679 5.7679 5.8047 5.8047 6.3548 6.3548 6.3691 6.3691 6.5920 6.5920 6.6219 6.6219 7.1454 7.1454 7.2006 7.2006 7.3317 7.3317 7.3634 7.3634 8.0346 8.0346 8.0461 8.0461 8.8701 8.8701 8.8882 8.8882 9.2646 9.2646 9.2715 9.2715 10.2876 10.2876 10.3122 10.3122 10.9802 10.9802 10.9992 10.9992 12.6226 12.6226 12.6238 12.6238 13.6819 13.6819 13.6833 13.6833 14.0783 14.0783 14.1140 14.1140 k = 0.5000-0.0000 0.1250 ( 4148 PWs) bands (ev): 4.5208 4.5208 4.5286 4.5286 4.7252 4.7252 4.7399 4.7399 5.2575 5.2575 5.2694 5.2694 5.4835 5.4835 5.5322 5.5322 5.7702 5.7702 5.8032 5.8032 6.3709 6.3709 6.3779 6.3779 6.5896 6.5896 6.6131 6.6131 7.1588 7.1588 7.2155 7.2155 7.3287 7.3287 7.3629 7.3629 8.0674 8.0674 8.0801 8.0801 8.8628 8.8628 8.8788 8.8788 9.2975 9.2975 9.3092 9.3092 10.2846 10.2846 10.3105 10.3105 10.9828 10.9828 11.0018 11.0018 12.4761 12.4761 12.4806 12.4806 13.7115 13.7115 13.7142 13.7142 14.1310 14.1310 14.1621 14.1621 k = 0.5000-0.0000 0.1146 ( 4154 PWs) bands (ev): 4.4988 4.4988 4.5056 4.5056 4.7225 4.7225 4.7361 4.7361 5.2643 5.2643 5.2753 5.2753 5.4863 5.4863 5.5321 5.5321 5.7738 5.7738 5.8029 5.8029 6.3824 6.3824 6.3826 6.3826 6.5865 6.5865 6.6030 6.6030 7.1728 7.1728 7.2292 7.2292 7.3301 7.3301 7.3654 7.3654 8.0992 8.0992 8.1129 8.1129 8.8557 8.8557 8.8697 8.8697 9.3356 9.3356 9.3520 9.3520 10.2818 10.2818 10.3088 10.3088 10.9837 10.9837 11.0024 11.0024 12.3271 12.3271 12.3341 12.3341 13.7469 13.7469 13.7504 13.7504 14.1908 14.1908 14.2183 14.2183 k = 0.5000-0.0000 0.1042 ( 4160 PWs) bands (ev): 4.4776 4.4776 4.4834 4.4834 4.7203 4.7203 4.7328 4.7328 5.2715 5.2715 5.2818 5.2818 5.4889 5.4889 5.5314 5.5314 5.7786 5.7786 5.8038 5.8038 6.3833 6.3833 6.3903 6.3903 6.5825 6.5825 6.5921 6.5921 7.1871 7.1871 7.2414 7.2414 7.3353 7.3353 7.3701 7.3701 8.1298 8.1298 8.1442 8.1442 8.8488 8.8488 8.8609 8.8609 9.3795 9.3795 9.4003 9.4003 10.2790 10.2790 10.3074 10.3074 10.9822 10.9822 11.0005 11.0005 12.1787 12.1787 12.1877 12.1877 13.7875 13.7875 13.7914 13.7914 14.2552 14.2552 14.2801 14.2801 k = 0.5000-0.0000 0.0938 ( 4162 PWs) bands (ev): 4.4574 4.4574 4.4624 4.4624 4.7186 4.7186 4.7299 4.7299 5.2789 5.2789 5.2884 5.2884 5.4914 5.4914 5.5303 5.5303 5.7843 5.7843 5.8057 5.8057 6.3815 6.3815 6.3942 6.3942 6.5776 6.5776 6.5808 6.5808 7.2012 7.2012 7.2516 7.2516 7.3438 7.3438 7.3764 7.3764 8.1589 8.1589 8.1736 8.1736 8.8423 8.8423 8.8526 8.8526 9.4293 9.4293 9.4542 9.4542 10.2765 10.2765 10.3063 10.3063 10.9773 10.9773 10.9950 10.9950 12.0340 12.0340 12.0444 12.0444 13.8325 13.8325 13.8365 13.8365 14.3223 14.3223 14.3453 14.3453 k = 0.5000-0.0000 0.0833 ( 4162 PWs) bands (ev): 4.4387 4.4387 4.4429 4.4429 4.7172 4.7172 4.7273 4.7273 5.2863 5.2863 5.2949 5.2949 5.4937 5.4937 5.5287 5.5287 5.7907 5.7907 5.8085 5.8085 6.3776 6.3776 6.3948 6.3948 6.5700 6.5700 6.5719 6.5719 7.2148 7.2148 7.2600 7.2600 7.3546 7.3546 7.3837 7.3837 8.1860 8.1860 8.2006 8.2006 8.8363 8.8363 8.8448 8.8448 9.4851 9.4851 9.5138 9.5138 10.2741 10.2741 10.3054 10.3054 10.9677 10.9677 10.9848 10.9848 11.8959 11.8959 11.9071 11.9071 13.8810 13.8810 13.8850 13.8850 14.3905 14.3905 14.4120 14.4120 k = 0.5000-0.0000 0.0729 ( 4162 PWs) bands (ev): 4.4217 4.4217 4.4252 4.4252 4.7162 4.7162 4.7251 4.7251 5.2933 5.2933 5.3011 5.3011 5.4959 5.4959 5.5269 5.5269 5.7975 5.7975 5.8120 5.8120 6.3724 6.3724 6.3924 6.3924 6.5601 6.5601 6.5658 6.5658 7.2276 7.2276 7.2668 7.2668 7.3663 7.3663 7.3914 7.3914 8.2108 8.2108 8.2249 8.2249 8.8307 8.8307 8.8376 8.8376 9.5466 9.5466 9.5785 9.5785 10.2720 10.2720 10.3049 10.3049 10.9520 10.9520 10.9682 10.9682 11.7677 11.7677 11.7790 11.7790 13.9318 13.9318 13.9358 13.9358 14.4579 14.4579 14.4784 14.4784 k = 0.5000-0.0000 0.0625 ( 4168 PWs) bands (ev): 4.4065 4.4065 4.4094 4.4094 4.7155 4.7155 4.7231 4.7231 5.2999 5.2999 5.3067 5.3067 5.4980 5.4980 5.5248 5.5248 5.8045 5.8045 5.8160 5.8160 6.3665 6.3665 6.3874 6.3874 6.5516 6.5516 6.5597 6.5597 7.2392 7.2392 7.2723 7.2723 7.3782 7.3782 7.3990 7.3990 8.2330 8.2330 8.2461 8.2461 8.8256 8.8256 8.8312 8.8312 9.6131 9.6131 9.6475 9.6475 10.2701 10.2701 10.3049 10.3049 10.9279 10.9279 10.9431 10.9431 11.6531 11.6531 11.6639 11.6639 13.9838 13.9838 13.9876 13.9876 14.5224 14.5224 14.5421 14.5421 k = 0.5000-0.0000 0.0521 ( 4164 PWs) bands (ev): 4.3935 4.3935 4.3958 4.3958 4.7150 4.7150 4.7214 4.7214 5.3058 5.3058 5.3117 5.3117 5.5001 5.5001 5.5226 5.5226 5.8113 5.8113 5.8201 5.8201 6.3605 6.3605 6.3807 6.3807 6.5449 6.5449 6.5538 6.5538 7.2496 7.2496 7.2766 7.2766 7.3892 7.3892 7.4060 7.4060 8.2524 8.2524 8.2640 8.2640 8.8212 8.8212 8.8256 8.8256 9.6831 9.6831 9.7193 9.7193 10.2686 10.2686 10.3052 10.3052 10.8937 10.8937 10.9076 10.9076 11.5560 11.5560 11.5656 11.5656 14.0353 14.0353 14.0387 14.0387 14.5817 14.5817 14.6005 14.6005 k = 0.5000-0.0000 0.0417 ( 4162 PWs) bands (ev): 4.3827 4.3827 4.3845 4.3845 4.7148 4.7148 4.7200 4.7200 5.3110 5.3110 5.3158 5.3158 5.5022 5.5022 5.5203 5.5203 5.8177 5.8177 5.8241 5.8241 6.3551 6.3551 6.3730 6.3730 6.5400 6.5400 6.5485 6.5485 7.2585 7.2585 7.2797 7.2797 7.3991 7.3991 7.4119 7.4119 8.2687 8.2687 8.2784 8.2784 8.8175 8.8175 8.8208 8.8208 9.7544 9.7544 9.7912 9.7912 10.2679 10.2679 10.3059 10.3059 10.8492 10.8492 10.8616 10.8616 11.4794 11.4794 11.4871 11.4871 14.0843 14.0843 14.0872 14.0872 14.6329 14.6329 14.6504 14.6504 k = 0.5000-0.0000 0.0313 ( 4158 PWs) bands (ev): 4.3742 4.3742 4.3755 4.3755 4.7148 4.7148 4.7187 4.7187 5.3152 5.3152 5.3189 5.3189 5.5043 5.5043 5.5179 5.5179 5.8231 5.8231 5.8276 5.8276 6.3507 6.3507 6.3652 6.3652 6.5368 6.5368 6.5439 6.5439 7.2661 7.2661 7.2817 7.2817 7.4072 7.4072 7.4166 7.4166 8.2818 8.2818 8.2894 8.2894 8.8147 8.8147 8.8170 8.8170 9.8236 9.8236 9.8588 9.8588 10.2687 10.2687 10.3063 10.3063 10.7975 10.7975 10.8083 10.8083 11.4240 11.4240 11.4296 11.4296 14.1281 14.1281 14.1305 14.1305 14.6735 14.6735 14.6887 14.6887 k = 0.5000-0.0000 0.0208 ( 4156 PWs) bands (ev): 4.3681 4.3681 4.3690 4.3690 4.7150 4.7150 4.7176 4.7176 5.3185 5.3185 5.3210 5.3210 5.5065 5.5065 5.5156 5.5156 5.8275 5.8275 5.8302 5.8302 6.3480 6.3480 6.3581 6.3581 6.5351 6.5351 6.5401 6.5401 7.2722 7.2722 7.2824 7.2824 7.4136 7.4136 7.4197 7.4197 8.2916 8.2916 8.2968 8.2968 8.8126 8.8126 8.8141 8.8141 9.8853 9.8853 9.9148 9.9148 10.2726 10.2726 10.3054 10.3054 10.7468 10.7468 10.7556 10.7556 11.3878 11.3878 11.3913 11.3913 14.1635 14.1635 14.1651 14.1651 14.7022 14.7022 14.7136 14.7136 k = 0.5000-0.0000 0.0104 ( 4156 PWs) bands (ev): 4.3646 4.3646 4.3650 4.3650 4.7154 4.7154 4.7167 4.7167 5.3208 5.3208 5.3220 5.3220 5.5087 5.5087 5.5132 5.5132 5.8304 5.8304 5.8317 5.8317 6.3472 6.3472 6.3524 6.3524 6.5347 6.5347 6.5373 6.5373 7.2768 7.2768 7.2819 7.2819 7.4180 7.4180 7.4210 7.4210 8.2981 8.2981 8.3007 8.3007 8.8115 8.8115 8.8123 8.8123 9.9322 9.9322 9.9498 9.9498 10.2807 10.2807 10.3010 10.3010 10.7092 10.7092 10.7145 10.7145 11.3680 11.3680 11.3697 11.3697 14.1870 14.1870 14.1878 14.1878 14.7196 14.7196 14.7257 14.7257 k = 0.5000-0.0000-0.0000 ( 4152 PWs) bands (ev): 4.3635 4.3635 4.3635 4.3635 4.7160 4.7160 4.7160 4.7160 5.3220 5.3220 5.3220 5.3220 5.5109 5.5109 5.5109 5.5109 5.8318 5.8318 5.8318 5.8318 6.3487 6.3487 6.3487 6.3487 6.5354 6.5354 6.5354 6.5354 7.2800 7.2800 7.2800 7.2800 7.4205 7.4205 7.4205 7.4205 8.3012 8.3012 8.3012 8.3012 8.8114 8.8114 8.8114 8.8114 9.9559 9.9559 9.9559 9.9559 10.2918 10.2918 10.2918 10.2918 10.6969 10.6969 10.6969 10.6969 11.3622 11.3622 11.3622 11.3622 14.1954 14.1954 14.1954 14.1954 14.7272 14.7272 14.7272 14.7272 k = 0.0000 0.0000 0.2604 ( 4184 PWs) bands (ev): 2.2872 2.2872 2.4463 2.4463 4.4279 4.4279 4.5574 4.5574 5.1865 5.1865 5.2202 5.2202 5.6723 5.6723 5.6928 5.6928 5.7483 5.7483 5.8757 5.8757 6.1998 6.1998 6.3275 6.3275 6.8867 6.8867 6.9523 6.9523 7.1710 7.1710 7.2214 7.2214 7.5455 7.5455 7.5720 7.5720 7.6761 7.6761 7.7619 7.7619 7.9545 7.9545 8.0807 8.0807 8.4091 8.4091 8.4533 8.4533 8.6657 8.6657 8.6757 8.6757 11.7601 11.7601 11.8517 11.8517 15.0308 15.0308 15.3879 15.3879 16.0164 16.0164 16.0246 16.0246 16.2594 16.2594 16.4721 16.4721 k = 0.0104-0.0000 0.2604 ( 4190 PWs) bands (ev): 2.2887 2.2887 2.4478 2.4478 4.4288 4.4288 4.5582 4.5582 5.1874 5.1874 5.2210 5.2210 5.6717 5.6717 5.6931 5.6931 5.7484 5.7484 5.8759 5.8759 6.1994 6.1994 6.3273 6.3273 6.8864 6.8864 6.9521 6.9521 7.1698 7.1698 7.2216 7.2216 7.5445 7.5445 7.5716 7.5716 7.6750 7.6750 7.7611 7.7611 7.9547 7.9547 8.0810 8.0810 8.3933 8.3933 8.4619 8.4619 8.6553 8.6553 8.6998 8.6998 11.7621 11.7621 11.8537 11.8537 15.0313 15.0313 15.3883 15.3883 15.9975 15.9975 16.0289 16.0289 16.2441 16.2441 16.4715 16.4715 k = 0.0208-0.0000 0.2604 ( 4190 PWs) bands (ev): 2.2933 2.2933 2.4524 2.4524 4.4314 4.4314 4.5605 4.5605 5.1900 5.1900 5.2233 5.2233 5.6700 5.6700 5.6942 5.6942 5.7487 5.7487 5.8764 5.8764 6.1979 6.1979 6.3266 6.3266 6.8854 6.8854 6.9513 6.9513 7.1662 7.1662 7.2220 7.2220 7.5415 7.5415 7.5705 7.5705 7.6717 7.6717 7.7587 7.7587 7.9553 7.9553 8.0819 8.0819 8.3648 8.3648 8.4680 8.4680 8.6606 8.6606 8.7365 8.7365 11.7682 11.7682 11.8600 11.8600 15.0327 15.0327 15.3890 15.3890 15.9520 15.9520 16.0302 16.0302 16.2011 16.2011 16.4705 16.4705 k = 0.0312-0.0000 0.2604 ( 4190 PWs) bands (ev): 2.3011 2.3011 2.4600 2.4600 4.4357 4.4357 4.5643 4.5643 5.1942 5.1942 5.2271 5.2271 5.6674 5.6674 5.6958 5.6958 5.7491 5.7491 5.8772 5.8772 6.1956 6.1956 6.3254 6.3254 6.8839 6.8839 6.9500 6.9500 7.1607 7.1607 7.2224 7.2224 7.5366 7.5366 7.5683 7.5683 7.6662 7.6662 7.7551 7.7551 7.9562 7.9562 8.0833 8.0833 8.3353 8.3353 8.4619 8.4619 8.6863 8.6863 8.7791 8.7791 11.7784 11.7784 11.8703 11.8703 15.0346 15.0346 15.3890 15.3890 15.8814 15.8814 16.0223 16.0223 16.1419 16.1419 16.4710 16.4710 k = 0.0417-0.0000 0.2604 ( 4186 PWs) bands (ev): 2.3119 2.3119 2.4706 2.4706 4.4417 4.4417 4.5696 4.5696 5.2002 5.2002 5.2324 5.2324 5.6642 5.6642 5.6976 5.6976 5.7498 5.7498 5.8783 5.8783 6.1926 6.1926 6.3239 6.3239 6.8817 6.8817 6.9481 6.9481 7.1536 7.1536 7.2225 7.2225 7.5297 7.5297 7.5649 7.5649 7.6588 7.6588 7.7505 7.7505 7.9575 7.9575 8.0848 8.0848 8.3078 8.3078 8.4481 8.4481 8.7264 8.7264 8.8258 8.8258 11.7925 11.7925 11.8847 11.8847 15.0361 15.0361 15.3860 15.3860 15.7898 15.7898 15.9788 15.9788 16.1003 16.1003 16.4746 16.4746 k = 0.0521-0.0000 0.2604 ( 4188 PWs) bands (ev): 2.3258 2.3258 2.4843 2.4843 4.4493 4.4493 4.5764 4.5764 5.2076 5.2076 5.2391 5.2391 5.6603 5.6603 5.6996 5.6996 5.7505 5.7505 5.8797 5.8797 6.1888 6.1888 6.3219 6.3219 6.8790 6.8790 6.9457 6.9457 7.1453 7.1453 7.2222 7.2222 7.5208 7.5208 7.5599 7.5599 7.6499 7.6499 7.7454 7.7454 7.9592 7.9592 8.0861 8.0861 8.2836 8.2836 8.4321 8.4321 8.7750 8.7750 8.8759 8.8759 11.8106 11.8106 11.9031 11.9031 15.0357 15.0357 15.3740 15.3740 15.6851 15.6851 15.8904 15.8904 16.0944 16.0944 16.4820 16.4820 k = 0.0625-0.0000 0.2604 ( 4188 PWs) bands (ev): 2.3427 2.3427 2.5010 2.5010 4.4585 4.4585 4.5845 4.5845 5.2166 5.2166 5.2469 5.2469 5.6559 5.6559 5.7017 5.7017 5.7514 5.7514 5.8812 5.8812 6.1846 6.1846 6.3196 6.3196 6.8757 6.8757 6.9429 6.9429 7.1362 7.1362 7.2215 7.2215 7.5099 7.5099 7.5533 7.5533 7.6400 7.6400 7.7399 7.7399 7.9612 7.9612 8.0869 8.0869 8.2633 8.2633 8.4168 8.4168 8.8290 8.8290 8.9287 8.9287 11.8325 11.8325 11.9254 11.9254 15.0303 15.0303 15.3400 15.3400 15.5807 15.5807 15.7903 15.7903 16.1030 16.1030 16.4932 16.4932 k = 0.0729-0.0000 0.2604 ( 4196 PWs) bands (ev): 2.3627 2.3627 2.5206 2.5206 4.4692 4.4692 4.5940 4.5940 5.2268 5.2268 5.2559 5.2559 5.6512 5.6512 5.7039 5.7039 5.7523 5.7523 5.8827 5.8827 6.1801 6.1801 6.3171 6.3171 6.8717 6.8717 6.9396 6.9396 7.1265 7.1265 7.2202 7.2202 7.4968 7.4968 7.5448 7.5448 7.6298 7.6298 7.7344 7.7344 7.9635 7.9635 8.0867 8.0867 8.2472 8.2472 8.4037 8.4037 8.8865 8.8865 8.9839 8.9839 11.8583 11.8583 11.9516 11.9516 15.0134 15.0134 15.2644 15.2644 15.4919 15.4919 15.7051 15.7051 16.1175 16.1175 16.5081 16.5081 k = 0.0833-0.0000 0.2604 ( 4194 PWs) bands (ev): 2.3856 2.3856 2.5432 2.5432 4.4814 4.4814 4.6048 4.6048 5.2382 5.2382 5.2658 5.2658 5.6461 5.6461 5.7059 5.7059 5.7534 5.7534 5.8843 5.8843 6.1755 6.1755 6.3145 6.3145 6.8671 6.8671 6.9359 6.9359 7.1165 7.1165 7.2183 7.2183 7.4817 7.4817 7.5346 7.5346 7.6197 7.6197 7.7290 7.7290 7.9659 7.9659 8.0851 8.0851 8.2354 8.2354 8.3938 8.3938 8.9467 8.9467 9.0411 9.0411 11.8877 11.8877 11.9815 11.9815 14.9727 14.9727 15.1485 15.1485 15.4179 15.4179 15.6551 15.6551 16.1359 16.1359 16.5264 16.5264 k = 0.0938-0.0000 0.2604 ( 4202 PWs) bands (ev): 2.4116 2.4116 2.5687 2.5687 4.4949 4.4949 4.6167 4.6167 5.2504 5.2504 5.2765 5.2765 5.6408 5.6408 5.7078 5.7078 5.7546 5.7546 5.8857 5.8857 6.1711 6.1711 6.3120 6.3120 6.8617 6.8617 6.9320 6.9320 7.1064 7.1064 7.2160 7.2160 7.4648 7.4648 7.5230 7.5230 7.6101 7.6101 7.7239 7.7239 7.9683 7.9683 8.0822 8.0822 8.2276 8.2276 8.3873 8.3873 9.0088 9.0088 9.1002 9.1002 11.9207 11.9207 12.0151 12.0151 14.8920 14.8920 15.0132 15.0132 15.3605 15.3605 15.6390 15.6390 16.1574 16.1574 16.5479 16.5479 k = 0.1042-0.0000 0.2604 ( 4200 PWs) bands (ev): 2.4405 2.4405 2.5972 2.5972 4.5097 4.5097 4.6298 4.6298 5.2633 5.2633 5.2876 5.2876 5.6353 5.6353 5.7094 5.7094 5.7560 5.7560 5.8869 5.8869 6.1670 6.1670 6.3097 6.3097 6.8555 6.8555 6.9280 6.9280 7.0962 7.0962 7.2131 7.2131 7.4467 7.4467 7.5103 7.5103 7.6014 7.6014 7.7193 7.7193 7.9705 7.9705 8.0780 8.0780 8.2236 8.2236 8.3844 8.3844 9.0725 9.0725 9.1608 9.1608 11.9571 11.9571 12.0522 12.0522 14.7677 14.7677 14.8697 14.8697 15.3295 15.3295 15.6433 15.6433 16.1816 16.1816 16.5724 16.5724 k = 0.1146-0.0000 0.2604 ( 4202 PWs) bands (ev): 2.4723 2.4723 2.6284 2.6284 4.5258 4.5258 4.6439 4.6439 5.2764 5.2764 5.2989 5.2989 5.6300 5.6300 5.7106 5.7106 5.7577 5.7577 5.8877 5.8877 6.1635 6.1635 6.3078 6.3078 6.8483 6.8483 6.9239 6.9239 7.0863 7.0863 7.2097 7.2097 7.4279 7.4279 7.4968 7.4968 7.5935 7.5935 7.7151 7.7151 7.9722 7.9722 8.0727 8.0727 8.2229 8.2229 8.3851 8.3851 9.1376 9.1376 9.2229 9.2229 11.9969 11.9969 12.0927 12.0927 14.6163 14.6163 14.7171 14.7171 15.3217 15.3217 15.6588 15.6588 16.2085 16.2085 16.5996 16.5996 k = 0.1250-0.0000 0.2604 ( 4196 PWs) bands (ev): 2.5070 2.5070 2.6626 2.6626 4.5428 4.5428 4.6589 4.6589 5.2893 5.2893 5.3103 5.3103 5.6249 5.6249 5.7111 5.7111 5.7599 5.7599 5.8881 5.8881 6.1609 6.1609 6.3066 6.3066 6.8402 6.8402 6.9196 6.9196 7.0768 7.0768 7.2057 7.2057 7.4092 7.4092 7.4831 7.4831 7.5867 7.5867 7.7117 7.7117 7.9731 7.9731 8.0666 8.0666 8.2251 8.2251 8.3891 8.3891 9.2036 9.2036 9.2861 9.2861 12.0399 12.0399 12.1364 12.1364 14.4525 14.4525 14.5555 14.5555 15.3288 15.3288 15.6808 15.6808 16.2377 16.2377 16.6293 16.6293 k = 0.1354-0.0000 0.2604 ( 4188 PWs) bands (ev): 2.5445 2.5445 2.6994 2.6994 4.5609 4.5609 4.6747 4.6747 5.3014 5.3014 5.3214 5.3214 5.6202 5.6202 5.7108 5.7108 5.7626 5.7626 5.8879 5.8879 6.1594 6.1594 6.3062 6.3062 6.8312 6.8312 6.9151 6.9151 7.0678 7.0678 7.2013 7.2013 7.3913 7.3913 7.4695 7.4695 7.5809 7.5809 7.7090 7.7090 7.9733 7.9733 8.0600 8.0600 8.2298 8.2298 8.3960 8.3960 9.2705 9.2705 9.3505 9.3505 12.0859 12.0859 12.1833 12.1833 14.2833 14.2833 14.3875 14.3875 15.3451 15.3451 15.7071 15.7071 16.2691 16.2691 16.6612 16.6612 k = 0.1458-0.0000 0.2604 ( 4184 PWs) bands (ev): 2.5849 2.5849 2.7391 2.7391 4.5798 4.5798 4.6912 4.6912 5.3120 5.3120 5.3321 5.3321 5.6164 5.6164 5.7097 5.7097 5.7658 5.7658 5.8870 5.8870 6.1591 6.1591 6.3071 6.3071 6.8214 6.8214 6.9100 6.9100 7.0594 7.0594 7.1963 7.1963 7.3746 7.3746 7.4565 7.4565 7.5763 7.5763 7.7072 7.7072 7.9726 7.9726 8.0529 8.0529 8.2370 8.2370 8.4055 8.4055 9.3380 9.3380 9.4158 9.4158 12.1346 12.1346 12.2332 12.2332 14.1119 14.1119 14.2157 14.2157 15.3674 15.3674 15.7362 15.7362 16.3021 16.3021 16.6947 16.6947 k = 0.1562-0.0000 0.2604 ( 4178 PWs) bands (ev): 2.6279 2.6279 2.7813 2.7813 4.5995 4.5995 4.7083 4.7083 5.3207 5.3207 5.3423 5.3423 5.6136 5.6136 5.7076 5.7076 5.7696 5.7696 5.8853 5.8853 6.1603 6.1603 6.3094 6.3094 6.8109 6.8109 6.9041 6.9041 7.0520 7.0520 7.1908 7.1908 7.3597 7.3597 7.4445 7.4445 7.5731 7.5731 7.7064 7.7064 7.9712 7.9712 8.0454 8.0454 8.2462 8.2462 8.4172 8.4172 9.4061 9.4061 9.4819 9.4819 12.1860 12.1860 12.2859 12.2859 13.9399 13.9399 14.0419 14.0419 15.3938 15.3938 15.7673 15.7673 16.3361 16.3361 16.7281 16.7281 k = 0.1667-0.0000 0.2604 ( 4178 PWs) bands (ev): 2.6737 2.6737 2.8262 2.8262 4.6197 4.6197 4.7259 4.7259 5.3267 5.3267 5.3515 5.3515 5.6120 5.6120 5.7045 5.7045 5.7738 5.7738 5.8829 5.8829 6.1632 6.1632 6.3134 6.3134 6.7996 6.7996 6.8970 6.8970 7.0456 7.0456 7.1851 7.1851 7.3466 7.3466 7.4341 7.4341 7.5715 7.5715 7.7067 7.7067 7.9691 7.9691 8.0378 8.0378 8.2574 8.2574 8.4307 8.4307 9.4745 9.4745 9.5486 9.5486 12.2396 12.2396 12.3413 12.3413 13.7687 13.7687 13.8674 13.8674 15.4232 15.4232 15.7994 15.7994 16.3700 16.3700 16.7565 16.7565 k = 0.1771-0.0000 0.2604 ( 4176 PWs) bands (ev): 2.7220 2.7220 2.8737 2.8737 4.6404 4.6404 4.7438 4.7438 5.3300 5.3300 5.3596 5.3596 5.6116 5.6116 5.7007 5.7007 5.7782 5.7782 5.8798 5.8798 6.1680 6.1680 6.3193 6.3193 6.7878 6.7878 6.8884 6.8884 7.0402 7.0402 7.1794 7.1794 7.3352 7.3352 7.4258 7.4258 7.5717 7.5717 7.7081 7.7081 7.9665 7.9665 8.0300 8.0300 8.2702 8.2702 8.4459 8.4459 9.5431 9.5431 9.6159 9.6159 12.2951 12.2951 12.3992 12.3992 13.5993 13.5993 13.6932 13.6932 15.4547 15.4547 15.8315 15.8315 16.4011 16.4011 16.7546 16.7546 k = 0.1875-0.0000 0.2604 ( 4180 PWs) bands (ev): 2.7729 2.7729 2.9236 2.9236 4.6615 4.6615 4.7618 4.7618 5.3304 5.3304 5.3662 5.3662 5.6125 5.6125 5.6961 5.6961 5.7826 5.7826 5.8760 5.8760 6.1746 6.1746 6.3272 6.3272 6.7754 6.7754 6.8785 6.8785 7.0359 7.0359 7.1743 7.1743 7.3252 7.3252 7.4200 7.4200 7.5739 7.5739 7.7108 7.7108 7.9637 7.9637 8.0221 8.0221 8.2846 8.2846 8.4625 8.4625 9.6118 9.6118 9.6836 9.6836 12.3517 12.3517 12.4594 12.4594 13.4328 13.4328 13.5201 13.5201 15.4874 15.4874 15.8622 15.8622 16.4229 16.4229 16.6655 16.6655 k = 0.1979-0.0000 0.2604 ( 4170 PWs) bands (ev): 2.8263 2.8263 2.9759 2.9759 4.6827 4.6827 4.7800 4.7800 5.3280 5.3280 5.3711 5.3711 5.6142 5.6142 5.6908 5.6908 5.7866 5.7866 5.8717 5.8717 6.1832 6.1832 6.3370 6.3370 6.7625 6.7625 6.8672 6.8672 7.0322 7.0322 7.1702 7.1702 7.3162 7.3162 7.4171 7.4171 7.5783 7.5783 7.7149 7.7149 7.9609 7.9609 8.0143 8.0143 8.3003 8.3003 8.4802 8.4802 9.6805 9.6805 9.7516 9.7516 12.4082 12.4082 12.5217 12.5217 13.2706 13.2706 13.3489 13.3489 15.5202 15.5202 15.8891 15.8891 16.4124 16.4124 16.5459 16.5459 k = 0.2083-0.0000 0.2604 ( 4174 PWs) bands (ev): 2.8821 2.8821 3.0306 3.0306 4.7040 4.7040 4.7980 4.7980 5.3230 5.3230 5.3743 5.3743 5.6163 5.6163 5.6850 5.6850 5.7901 5.7901 5.8671 5.8671 6.1937 6.1937 6.3487 6.3487 6.7490 6.7490 6.8548 6.8548 7.0290 7.0290 7.1675 7.1675 7.3080 7.3080 7.4170 7.4170 7.5851 7.5851 7.7203 7.7203 7.9582 7.9582 8.0067 8.0067 8.3172 8.3172 8.4992 8.4992 9.7491 9.7491 9.8197 9.8197 12.4616 12.4616 12.5855 12.5855 13.1152 13.1152 13.1810 13.1810 15.5511 15.5511 15.9077 15.9077 16.3225 16.3225 16.4682 16.4682 k = 0.2188-0.0000 0.2604 ( 4178 PWs) bands (ev): 2.9402 2.9402 3.0874 3.0874 4.7251 4.7251 4.8158 4.8158 5.3159 5.3159 5.3756 5.3756 5.6184 5.6184 5.6788 5.6788 5.7927 5.7927 5.8624 5.8624 6.2059 6.2059 6.3620 6.3620 6.7350 6.7350 6.8417 6.8417 7.0261 7.0261 7.1666 7.1666 7.3006 7.3006 7.4197 7.4197 7.5944 7.5944 7.7271 7.7271 7.9562 7.9562 7.9995 7.9995 8.3353 8.3353 8.5193 8.5193 9.8174 9.8174 9.8878 9.8878 12.5048 12.5048 12.6497 12.6497 12.9707 12.9707 13.0214 13.0214 15.5765 15.5765 15.9085 15.9085 16.1990 16.1990 16.3828 16.3828 k = 0.2292-0.0000 0.2604 ( 4178 PWs) bands (ev): 3.0005 3.0005 3.1464 3.1464 4.7460 4.7460 4.8332 4.8332 5.3070 5.3070 5.3753 5.3753 5.6200 5.6200 5.6724 5.6724 5.7943 5.7943 5.8579 5.8579 6.2195 6.2195 6.3765 6.3765 6.7205 6.7205 6.8282 6.8282 7.0235 7.0235 7.1672 7.1672 7.2942 7.2942 7.4248 7.4248 7.6063 7.6063 7.7351 7.7351 7.9550 7.9550 7.9929 7.9929 8.3544 8.3544 8.5406 8.5406 9.8853 9.8853 9.9557 9.9557 12.5173 12.5173 12.7083 12.7083 12.8339 12.8339 12.9000 12.9000 15.5878 15.5878 15.8748 15.8748 16.0960 16.0960 16.2703 16.2703 k = 0.2396-0.0000 0.2604 ( 4176 PWs) bands (ev): 3.0630 3.0630 3.2075 3.2075 4.7665 4.7665 4.8500 4.8500 5.2968 5.2968 5.3735 5.3735 5.6206 5.6206 5.6658 5.6658 5.7946 5.7946 5.8539 5.8539 6.2341 6.2341 6.3915 6.3915 6.7057 6.7057 6.8143 6.8143 7.0217 7.0217 7.1688 7.1688 7.2892 7.2892 7.4316 7.4316 7.6206 7.6206 7.7440 7.7440 7.9552 7.9552 7.9874 7.9874 8.3748 8.3748 8.5631 8.5631 9.9528 9.9528 10.0232 10.0232 12.4668 12.4668 12.6568 12.6568 12.7922 12.7922 12.8664 12.8664 15.5651 15.5651 15.8072 15.8072 16.0231 16.0231 16.1534 16.1534 k = 0.2500-0.0000 0.2604 ( 4180 PWs) bands (ev): 3.1274 3.1274 3.2704 3.2704 4.7863 4.7863 4.8661 4.8661 5.2857 5.2857 5.3701 5.3701 5.6200 5.6200 5.6593 5.6593 5.7937 5.7937 5.8507 5.8507 6.2491 6.2491 6.4065 6.4065 6.6908 6.6908 6.8004 6.8004 7.0211 7.0211 7.1708 7.1708 7.2864 7.2864 7.4397 7.4397 7.6372 7.6372 7.7535 7.7535 7.9571 7.9571 7.9837 7.9837 8.3964 8.3964 8.5870 8.5870 10.0195 10.0195 10.0901 10.0901 12.3608 12.3608 12.5049 12.5049 12.8464 12.8464 12.9034 12.9034 15.4865 15.4865 15.7322 15.7322 15.9597 15.9597 16.0450 16.0450 k = 0.2604-0.0000 0.2604 ( 4180 PWs) bands (ev): 3.1938 3.1938 3.3351 3.3351 4.8054 4.8054 4.8812 4.8812 5.2740 5.2740 5.3656 5.3656 5.6180 5.6180 5.6528 5.6528 5.7917 5.7917 5.8482 5.8482 6.2636 6.2636 6.4209 6.4209 6.6760 6.6760 6.7863 6.7863 7.0220 7.0220 7.1723 7.1723 7.2862 7.2862 7.4486 7.4486 7.6555 7.6555 7.7628 7.7628 7.9609 7.9609 7.9831 7.9831 8.4194 8.4194 8.6124 8.6124 10.0855 10.0855 10.1561 10.1561 12.2323 12.2323 12.3500 12.3500 12.9096 12.9096 12.9674 12.9674 15.3640 15.3640 15.6376 15.6376 15.8734 15.8734 15.9785 15.9785 k = 0.2708-0.0000 0.2604 ( 4176 PWs) bands (ev): 3.2619 3.2619 3.4015 3.4015 4.8235 4.8235 4.8953 4.8953 5.2622 5.2622 5.3600 5.3600 5.6145 5.6145 5.6465 5.6465 5.7888 5.7888 5.8465 5.8465 6.2769 6.2769 6.4341 6.4341 6.6618 6.6618 6.7722 6.7722 7.0249 7.0249 7.1727 7.1727 7.2892 7.2892 7.4579 7.4579 7.6747 7.6747 7.7714 7.7714 7.9660 7.9660 7.9878 7.9878 8.4439 8.4439 8.6396 8.6396 10.1504 10.1504 10.2209 10.2209 12.0979 12.0979 12.1974 12.1974 12.9790 12.9790 13.0398 13.0398 15.2226 15.2226 15.5153 15.5153 15.7410 15.7410 15.9712 15.9712 k = 0.2812-0.0000 0.2604 ( 4174 PWs) bands (ev): 3.3317 3.3317 3.4693 3.4693 4.8403 4.8403 4.9082 4.9082 5.2507 5.2507 5.3535 5.3535 5.6099 5.6099 5.6403 5.6403 5.7854 5.7854 5.8454 5.8454 6.2880 6.2880 6.4454 6.4454 6.6484 6.6484 6.7581 6.7581 7.0298 7.0298 7.1719 7.1719 7.2952 7.2952 7.4674 7.4674 7.6934 7.6934 7.7784 7.7784 7.9723 7.9723 8.0000 8.0000 8.4702 8.4702 8.6687 8.6687 10.2142 10.2142 10.2840 10.2840 11.9637 11.9637 12.0481 12.0481 13.0527 13.0527 13.1158 13.1158 15.0744 15.0744 15.3774 15.3774 15.5934 15.5934 15.9619 15.9619 k = 0.2917-0.0000 0.2604 ( 4172 PWs) bands (ev): 3.4029 3.4029 3.5385 3.5385 4.8558 4.8558 4.9196 4.9196 5.2397 5.2397 5.3464 5.3464 5.6042 5.6042 5.6342 5.6342 5.7818 5.7818 5.8449 5.8449 6.2961 6.2961 6.4543 6.4543 6.6361 6.6361 6.7443 6.7443 7.0366 7.0366 7.1700 7.1700 7.3040 7.3040 7.4767 7.4767 7.7103 7.7103 7.7834 7.7834 7.9820 7.9820 8.0194 8.0194 8.4986 8.4986 8.6999 8.6999 10.2766 10.2766 10.3448 10.3448 11.8325 11.8325 11.9026 11.9026 13.1290 13.1290 13.1940 13.1940 14.9243 14.9243 15.2323 15.2323 15.4420 15.4420 15.8732 15.8732 k = 0.3021-0.0000 0.2604 ( 4170 PWs) bands (ev): 3.4754 3.4754 3.6089 3.6089 4.8697 4.8697 4.9293 4.9293 5.2296 5.2296 5.3390 5.3390 5.5976 5.5976 5.6280 5.6280 5.7784 5.7784 5.8449 5.8449 6.3003 6.3003 6.4603 6.4603 6.6252 6.6252 6.7312 6.7312 7.0447 7.0447 7.1674 7.1674 7.3150 7.3150 7.4859 7.4859 7.7237 7.7237 7.7863 7.7863 7.9972 7.9972 8.0454 8.0454 8.5292 8.5292 8.7335 8.7335 10.3374 10.3374 10.4026 10.4026 11.7059 11.7059 11.7614 11.7614 13.2068 13.2068 13.2736 13.2736 14.7749 14.7749 15.0842 15.0842 15.2912 15.2912 15.7300 15.7300 k = 0.3125-0.0000 0.2604 ( 4170 PWs) bands (ev): 3.5491 3.5491 3.6802 3.6802 4.8819 4.8819 4.9373 4.9373 5.2208 5.2208 5.3313 5.3313 5.5904 5.5904 5.6218 5.6218 5.7754 5.7754 5.8452 5.8452 6.3002 6.3002 6.4631 6.4631 6.6155 6.6155 6.7194 6.7194 7.0536 7.0536 7.1646 7.1646 7.3278 7.3278 7.4948 7.4948 7.7329 7.7329 7.7871 7.7871 8.0194 8.0194 8.0771 8.0771 8.5622 8.5622 8.7696 8.7696 10.3961 10.3961 10.4563 10.4563 11.5851 11.5851 11.6254 11.6254 13.2854 13.2854 13.3541 13.3541 14.6276 14.6276 14.9357 14.9357 15.1435 15.1435 15.5764 15.5764 k = 0.3229-0.0000 0.2604 ( 4172 PWs) bands (ev): 3.6237 3.6237 3.7523 3.7523 4.8920 4.8920 4.9435 4.9435 5.2134 5.2134 5.3237 5.3237 5.5826 5.5826 5.6157 5.6157 5.7730 5.7730 5.8461 5.8461 6.2956 6.2956 6.4621 6.4621 6.6068 6.6068 6.7096 6.7096 7.0623 7.0623 7.1619 7.1619 7.3420 7.3420 7.5033 7.5033 7.7375 7.7375 7.7858 7.7858 8.0488 8.0488 8.1141 8.1141 8.5980 8.5980 8.8082 8.8082 10.4525 10.4525 10.5044 10.5044 11.4699 11.4699 11.4967 11.4967 13.3634 13.3634 13.4350 13.4350 14.4838 14.4838 14.7889 14.7889 15.0002 15.0002 15.4226 15.4226 k = 0.3333-0.0000 0.2604 ( 4174 PWs) bands (ev): 3.6989 3.6989 3.8249 3.8249 4.9000 4.9000 4.9477 4.9477 5.2076 5.2076 5.3165 5.3165 5.5741 5.5741 5.6096 5.6096 5.7712 5.7712 5.8474 5.8474 6.2867 6.2867 6.4571 6.4571 6.5989 6.5989 6.7022 6.7022 7.0699 7.0699 7.1597 7.1597 7.3571 7.3571 7.5116 7.5116 7.7384 7.7384 7.7827 7.7827 8.0849 8.0849 8.1557 8.1557 8.6365 8.6365 8.8494 8.8494 10.5059 10.5059 10.5447 10.5447 11.3549 11.3549 11.3835 11.3835 13.4395 13.4395 13.5154 13.5154 14.3446 14.3446 14.6464 14.6464 14.8620 14.8620 15.2715 15.2715 k = 0.3438-0.0000 0.2604 ( 4174 PWs) bands (ev): 3.7746 3.7746 3.8979 3.8979 4.9056 4.9056 4.9501 4.9501 5.2035 5.2035 5.3099 5.3099 5.5651 5.5651 5.6036 5.6036 5.7701 5.7701 5.8493 5.8493 6.2737 6.2737 6.4479 6.4479 6.5914 6.5914 6.6977 6.6977 7.0756 7.0756 7.1581 7.1581 7.3729 7.3729 7.5195 7.5195 7.7364 7.7364 7.7780 7.7780 8.1268 8.1268 8.2012 8.2012 8.6777 8.6777 8.8929 8.8929 10.5549 10.5549 10.5749 10.5749 11.2374 11.2374 11.2921 11.2921 13.5111 13.5111 13.5939 13.5939 14.2119 14.2119 14.5112 14.5112 14.7296 14.7296 15.1249 15.1249 k = 0.3542-0.0000 0.2604 ( 4176 PWs) bands (ev): 3.8505 3.8505 3.9708 3.9708 4.9086 4.9086 4.9509 4.9509 5.2010 5.2010 5.3043 5.3043 5.5554 5.5554 5.5977 5.5977 5.7699 5.7699 5.8518 5.8518 6.2570 6.2570 6.4344 6.4344 6.5845 6.5845 6.6955 6.6955 7.0788 7.0788 7.1571 7.1571 7.3892 7.3892 7.5272 7.5272 7.7322 7.7322 7.7719 7.7719 8.1734 8.1734 8.2502 8.2502 8.7215 8.7215 8.9384 8.9384 10.5839 10.5839 10.6059 10.6059 11.1241 11.1241 11.2204 11.2204 13.5737 13.5737 13.6676 13.6676 14.0890 14.0890 14.3878 14.3878 14.6041 14.6041 14.9841 14.9841 k = 0.3646-0.0000 0.2604 ( 4166 PWs) bands (ev): 3.9262 3.9262 4.0435 4.0435 4.9088 4.9088 4.9504 4.9504 5.1999 5.1999 5.3000 5.3000 5.5451 5.5451 5.5917 5.5917 5.7705 5.7705 5.8552 5.8552 6.2371 6.2371 6.4167 6.4167 6.5789 6.5789 6.6952 6.6952 7.0793 7.0793 7.1565 7.1565 7.4056 7.4056 7.5348 7.5348 7.7266 7.7266 7.7649 7.7649 8.2239 8.2239 8.3022 8.3022 8.7675 8.7675 8.9854 8.9854 10.5810 10.5810 10.6448 10.6448 11.0183 11.0183 11.1698 11.1698 13.6196 13.6196 13.7274 13.7274 13.9850 13.9850 14.2823 14.2823 14.4878 14.4878 14.8506 14.8506 k = 0.3750-0.0000 0.2604 ( 4170 PWs) bands (ev): 4.0013 4.0013 4.1157 4.1157 4.9061 4.9061 4.9491 4.9491 5.2000 5.2000 5.2974 5.2974 5.5340 5.5340 5.5857 5.5857 5.7720 5.7720 5.8594 5.8594 6.2146 6.2146 6.3951 6.3951 6.5747 6.5747 6.6960 6.6960 7.0775 7.0775 7.1558 7.1558 7.4222 7.4222 7.5423 7.5423 7.7199 7.7199 7.7572 7.7572 8.2774 8.2774 8.3568 8.3568 8.8150 8.8150 9.0330 9.0330 10.5580 10.5580 10.6759 10.6759 10.9237 10.9237 11.1400 11.1400 13.6368 13.6368 13.7418 13.7418 13.9314 13.9314 14.1998 14.1998 14.3875 14.3875 14.7270 14.7270 k = 0.3854-0.0000 0.2604 ( 4170 PWs) bands (ev): 4.0756 4.0756 4.1869 4.1869 4.9006 4.9006 4.9469 4.9469 5.2008 5.2008 5.2968 5.2968 5.5220 5.5220 5.5794 5.5794 5.7743 5.7743 5.8646 5.8646 6.1899 6.1899 6.3699 6.3699 6.5724 6.5724 6.6972 6.6972 7.0739 7.0739 7.1544 7.1544 7.4385 7.4385 7.5499 7.5499 7.7123 7.7123 7.7490 7.7490 8.3333 8.3333 8.4135 8.4135 8.8631 8.8631 9.0800 9.0800 10.5196 10.5196 10.6887 10.6887 10.8506 10.8506 11.1270 11.1270 13.6147 13.6147 13.6892 13.6892 13.9483 13.9483 14.1319 14.1319 14.3216 14.3216 14.6178 14.6178 k = 0.3958-0.0000 0.2604 ( 4170 PWs) bands (ev): 4.1484 4.1484 4.2568 4.2568 4.8925 4.8925 4.9439 4.9439 5.2022 5.2022 5.2985 5.2985 5.5091 5.5091 5.5727 5.5727 5.7777 5.7777 5.8708 5.8708 6.1633 6.1633 6.3417 6.3417 6.5720 6.5720 6.6983 6.6983 7.0691 7.0691 7.1518 7.1518 7.4546 7.4546 7.5576 7.5576 7.7042 7.7042 7.7404 7.7404 8.3912 8.3912 8.4721 8.4721 8.9106 8.9106 9.1248 9.1248 10.4722 10.4722 10.6634 10.6634 10.8189 10.8189 11.1244 11.1244 13.5580 13.5580 13.6169 13.6169 13.9800 13.9800 14.0550 14.0550 14.3107 14.3107 14.5318 14.5318 k = 0.4062-0.0000 0.2604 ( 4164 PWs) bands (ev): 4.2193 4.2193 4.3252 4.3252 4.8822 4.8822 4.9399 4.9399 5.2042 5.2042 5.3026 5.3026 5.4952 5.4952 5.5656 5.5656 5.7821 5.7821 5.8783 5.8783 6.1355 6.1355 6.3110 6.3110 6.5733 6.5733 6.6988 6.6988 7.0637 7.0637 7.1477 7.1477 7.4703 7.4703 7.5655 7.5655 7.6955 7.6955 7.7316 7.7316 8.4505 8.4505 8.5322 8.5322 8.9559 8.9559 9.1656 9.1656 10.4221 10.4221 10.6084 10.6084 10.8210 10.8210 11.1258 11.1258 13.4884 13.4884 13.5436 13.5436 13.9620 13.9620 13.9931 13.9931 14.3441 14.3441 14.4826 14.4826 k = 0.4167-0.0000 0.2604 ( 4162 PWs) bands (ev): 4.2878 4.2878 4.3915 4.3915 4.8700 4.8700 4.9347 4.9347 5.2068 5.2068 5.3089 5.3089 5.4804 5.4804 5.5577 5.5577 5.7877 5.7877 5.8870 5.8870 6.1067 6.1067 6.2786 6.2786 6.5765 6.5765 6.6984 6.6984 7.0585 7.0585 7.1422 7.1422 7.4857 7.4857 7.5737 7.5737 7.6864 7.6864 7.7227 7.7227 8.5108 8.5108 8.5934 8.5934 8.9971 8.9971 9.2001 9.2001 10.3746 10.3746 10.5499 10.5499 10.8316 10.8316 11.1262 11.1262 13.4223 13.4223 13.4728 13.4728 13.8712 13.8712 13.9630 13.9630 14.4003 14.4003 14.4792 14.4792 k = 0.4271-0.0000 0.2604 ( 4154 PWs) bands (ev): 4.3532 4.3532 4.4554 4.4554 4.8560 4.8560 4.9279 4.9279 5.2104 5.2104 5.3170 5.3170 5.4648 5.4648 5.5490 5.5490 5.7946 5.7946 5.8971 5.8971 6.0775 6.0775 6.2448 6.2448 6.5813 6.5813 6.6967 6.6967 7.0540 7.0540 7.1351 7.1351 7.5006 7.5006 7.5820 7.5820 7.6769 7.6769 7.7138 7.7138 8.5717 8.5717 8.6554 8.6554 9.0319 9.0319 9.2262 9.2262 10.3334 10.3334 10.4982 10.4982 10.8417 10.8417 11.1225 11.1225 13.3665 13.3665 13.4093 13.4093 13.7811 13.7811 13.9027 13.9027 14.4667 14.4667 14.5134 14.5134 k = 0.4375-0.0000 0.2604 ( 4152 PWs) bands (ev): 4.4150 4.4150 4.5164 4.5164 4.8403 4.8403 4.9192 4.9192 5.2154 5.2154 5.3261 5.3261 5.4490 5.4490 5.5392 5.5392 5.8030 5.8030 5.9087 5.9087 6.0483 6.0483 6.2103 6.2103 6.5876 6.5876 6.6936 6.6936 7.0507 7.0507 7.1267 7.1267 7.5152 7.5152 7.5905 7.5905 7.6671 7.6671 7.7047 7.7047 8.6326 8.6326 8.7177 8.7177 9.0583 9.0583 9.2415 9.2415 10.3015 10.3015 10.4561 10.4561 10.8495 10.8495 11.1125 11.1125 13.3236 13.3236 13.3565 13.3565 13.6952 13.6952 13.8261 13.8261 14.5366 14.5366 14.5679 14.5679 k = 0.4479-0.0000 0.2604 ( 4152 PWs) bands (ev): 4.4727 4.4727 4.5740 4.5740 4.8229 4.8229 4.9084 4.9084 5.2221 5.2221 5.3345 5.3345 5.4344 5.4344 5.5283 5.5283 5.8131 5.8131 5.9218 5.9218 6.0197 6.0197 6.1758 6.1758 6.5952 6.5952 6.6889 6.6889 7.0489 7.0489 7.1174 7.1174 7.5293 7.5293 7.5990 7.5990 7.6571 7.6571 7.6957 7.6957 8.6930 8.6930 8.7798 8.7798 9.0745 9.0745 9.2447 9.2447 10.2808 10.2808 10.4238 10.4238 10.8559 10.8559 11.0954 11.0954 13.2943 13.2943 13.3173 13.3173 13.6152 13.6152 13.7443 13.7443 14.6059 14.6059 14.6297 14.6297 k = 0.4583-0.0000 0.2604 ( 4148 PWs) bands (ev): 4.5259 4.5259 4.6274 4.6274 4.8038 4.8038 4.8948 4.8948 5.2310 5.2310 5.3391 5.3391 5.4242 5.4242 5.5161 5.5161 5.8249 5.8249 5.9366 5.9366 5.9921 5.9921 6.1418 6.1418 6.6040 6.6040 6.6827 6.6827 7.0490 7.0490 7.1074 7.1074 7.5431 7.5431 7.6070 7.6070 7.6474 7.6474 7.6866 7.6866 8.7522 8.7522 8.8407 8.8407 9.0794 9.0794 9.2352 9.2352 10.2718 10.2718 10.3995 10.3995 10.8628 10.8628 11.0713 11.0713 13.2769 13.2769 13.2947 13.2947 13.5422 13.5422 13.6632 13.6632 14.6713 14.6713 14.6906 14.6906 k = 0.4688-0.0000 0.2604 ( 4144 PWs) bands (ev): 4.5744 4.5744 4.6756 4.6756 4.7835 4.7835 4.8782 4.8782 5.2423 5.2423 5.3358 5.3358 5.4223 5.4223 5.5026 5.5026 5.8387 5.8387 5.9505 5.9505 5.9686 5.9686 6.1088 6.1088 6.6137 6.6137 6.6750 6.6750 7.0512 7.0512 7.0971 7.0971 7.5565 7.5565 7.6130 7.6130 7.6394 7.6394 7.6775 7.6775 8.8094 8.8094 8.8988 8.8988 9.0740 9.0740 9.2139 9.2139 10.2740 10.2740 10.3799 10.3799 10.8728 10.8728 11.0413 11.0413 13.2684 13.2684 13.2910 13.2910 13.4779 13.4779 13.5864 13.5864 14.7292 14.7292 14.7445 14.7445 k = 0.4792-0.0000 0.2604 ( 4142 PWs) bands (ev): 4.6180 4.6180 4.7136 4.7136 4.7659 4.7659 4.8578 4.8578 5.2560 5.2560 5.3241 5.3241 5.4293 5.4293 5.4880 5.4880 5.8545 5.8545 5.9369 5.9369 5.9762 5.9762 6.0775 6.0775 6.6241 6.6241 6.6661 6.6661 7.0553 7.0553 7.0870 7.0870 7.5695 7.5695 7.6127 7.6127 7.6375 7.6375 7.6685 7.6685 8.8633 8.8633 8.9488 8.9488 9.0634 9.0634 9.1823 9.1823 10.2851 10.2851 10.3618 10.3618 10.8884 10.8884 11.0075 11.0075 13.2702 13.2702 13.3013 13.3013 13.4254 13.4254 13.5164 13.5164 14.7758 14.7758 14.7867 14.7867 k = 0.4896-0.0000 0.2604 ( 4140 PWs) bands (ev): 4.6567 4.6567 4.7163 4.7163 4.7756 4.7756 4.8335 4.8335 5.2719 5.2719 5.3075 5.3075 5.4419 5.4419 5.4726 5.4726 5.8724 5.8724 5.9140 5.9140 5.9972 5.9972 6.0483 6.0483 6.6348 6.6348 6.6562 6.6562 7.0612 7.0612 7.0774 7.0774 7.5820 7.5820 7.6048 7.6048 7.6428 7.6428 7.6595 7.6595 8.9122 8.9122 8.9716 8.9716 9.0671 9.0671 9.1432 9.1432 10.3024 10.3024 10.3429 10.3429 10.9107 10.9107 10.9726 10.9726 13.2827 13.2827 13.3123 13.3123 13.3959 13.3959 13.4560 13.4560 14.8071 14.8071 14.8128 14.8128 k = 0.5000-0.0000 0.2604 ( 4136 PWs) bands (ev): 4.6904 4.6904 4.6904 4.6904 4.8052 4.8052 4.8052 4.8052 5.2895 5.2895 5.2895 5.2895 5.4569 5.4569 5.4569 5.4569 5.8922 5.8922 5.8922 5.8922 6.0214 6.0214 6.0214 6.0214 6.6456 6.6456 6.6456 6.6456 7.0686 7.0686 7.0686 7.0686 7.5940 7.5940 7.5940 7.5940 7.6508 7.6508 7.6508 7.6508 8.9522 8.9522 8.9522 8.9522 9.1008 9.1008 9.1008 9.1008 10.3226 10.3226 10.3226 10.3226 10.9394 10.9394 10.9394 10.9394 13.3020 13.3020 13.3020 13.3020 13.4104 13.4104 13.4104 13.4104 14.8199 14.8199 14.8199 14.8199 Writing output data file AlAu.save init_run : 0.43s CPU 0.60s WALL ( 1 calls) electrons : 314.58s CPU 344.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 314.57s CPU 344.70s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.16s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 305 calls) cegterg : 283.71s CPU 287.22s WALL ( 522 calls) Called by sum_band: Called by *egterg: h_psi : 146.50s CPU 149.11s WALL ( 8332 calls) s_psi : 22.93s CPU 22.80s WALL ( 8332 calls) g_psi : 0.38s CPU 0.39s WALL ( 7505 calls) cdiaghg : 98.89s CPU 100.18s WALL ( 7810 calls) cegterg:over : 13.16s CPU 13.04s WALL ( 7505 calls) cegterg:upda : 10.24s CPU 10.34s WALL ( 7505 calls) cegterg:last : 5.75s CPU 5.74s WALL ( 1579 calls) cdiaghg:chol : 5.58s CPU 5.81s WALL ( 7810 calls) cdiaghg:inve : 4.28s CPU 4.30s WALL ( 7810 calls) cdiaghg:para : 7.33s CPU 7.31s WALL ( 15620 calls) Called by h_psi: h_psi:vloc : 109.32s CPU 111.36s WALL ( 8332 calls) h_psi:vnl : 36.85s CPU 37.38s WALL ( 8332 calls) add_vuspsi : 21.21s CPU 21.51s WALL ( 8332 calls) General routines calbec : 15.61s CPU 15.84s WALL ( 8332 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.24s CPU 101.16s WALL ( 1338788 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.22s WALL ( 610 calls) Parallel routines fft_scatter : 37.32s CPU 38.53s WALL ( 1338811 calls) PWSCF : 5m34.27s CPU 6m23.72s WALL This run was terminated on: 18:44:14 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=