Program PWSCF v.5.1.1 starts on 12Jun2016 at 13:15:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu3AsSe4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 46 13 1432 975 148 Max 60 47 14 1435 992 149 Sum 2843 2211 635 68795 47157 7135 bravais-lattice index = 14 lattice parameter (alat) = 12.6220 a.u. unit-cell volume = 1117.4941 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.621994 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.657262 celldm(5)= -0.657262 celldm(6)= 0.314524 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.314524 0.949249 0.000000 ) a(3) = ( -0.657262 -0.474625 0.585438 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.331340 0.854061 ) b(2) = ( 0.000000 1.053464 0.854061 ) b(3) = ( 0.000000 0.000000 1.708122 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 As 5.00 74.92160 As( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0000000 0.0000000 0.0208308), wk = 0.0035714 k( 3) = ( 0.0000000 0.0000000 0.0416615), wk = 0.0035714 k( 4) = ( 0.0000000 0.0000000 0.0624923), wk = 0.0035714 k( 5) = ( 0.0000000 0.0000000 0.0833230), wk = 0.0035714 k( 6) = ( 0.0000000 0.0000000 0.1041538), wk = 0.0035714 k( 7) = ( 0.0000000 0.0000000 0.1249846), wk = 0.0035714 k( 8) = ( 0.0000000 0.0000000 0.1458153), wk = 0.0035714 k( 9) = ( 0.0000000 0.0000000 0.1666461), wk = 0.0035714 k( 10) = ( 0.0000000 0.0000000 0.1874769), wk = 0.0035714 k( 11) = ( 0.0000000 0.0000000 0.2083076), wk = 0.0035714 k( 12) = ( 0.0000000 0.0000000 0.2291384), wk = 0.0035714 k( 13) = ( 0.0000000 0.0000000 0.2499691), wk = 0.0035714 k( 14) = ( 0.0000000 0.0000000 0.2707999), wk = 0.0035714 k( 15) = ( 0.0000000 0.0000000 0.2916307), wk = 0.0035714 k( 16) = ( 0.0000000 0.0000000 0.3124614), wk = 0.0035714 k( 17) = ( 0.0000000 0.0000000 0.3332922), wk = 0.0035714 k( 18) = ( 0.0000000 0.0000000 0.3541229), wk = 0.0035714 k( 19) = ( 0.0000000 0.0000000 0.3749537), wk = 0.0035714 k( 20) = ( 0.0000000 0.0000000 0.3957845), wk = 0.0035714 k( 21) = ( 0.0000000 0.0000000 0.4166152), wk = 0.0035714 k( 22) = ( 0.0000000 0.0000000 0.4374460), wk = 0.0035714 k( 23) = ( 0.0000000 0.0000000 0.4582767), wk = 0.0035714 k( 24) = ( 0.0000000 0.0000000 0.4791075), wk = 0.0035714 k( 25) = ( 0.0000000 0.0000000 0.4999383), wk = 0.0035714 k( 26) = ( 0.0000000 0.0000000 0.5207690), wk = 0.0035714 k( 27) = ( 0.0000000 0.0000000 0.5415998), wk = 0.0035714 k( 28) = ( 0.0000000 0.0000000 0.5624306), wk = 0.0035714 k( 29) = ( 0.0000000 0.0000000 0.5832613), wk = 0.0035714 k( 30) = ( 0.0000000 0.0000000 0.6040921), wk = 0.0035714 k( 31) = ( 0.0000000 0.0000000 0.6249228), wk = 0.0035714 k( 32) = ( 0.0000000 0.0000000 0.6457536), wk = 0.0035714 k( 33) = ( 0.0000000 0.0000000 0.6665844), wk = 0.0035714 k( 34) = ( 0.0000000 0.0000000 0.6874151), wk = 0.0035714 k( 35) = ( 0.0000000 0.0000000 0.7082459), wk = 0.0035714 k( 36) = ( 0.0000000 0.0000000 0.7290767), wk = 0.0035714 k( 37) = ( 0.0000000 0.0000000 0.7499074), wk = 0.0035714 k( 38) = ( 0.0000000 0.0000000 0.7707382), wk = 0.0035714 k( 39) = ( 0.0000000 0.0000000 0.7915689), wk = 0.0035714 k( 40) = ( 0.0000000 0.0000000 0.8123997), wk = 0.0035714 k( 41) = ( 0.0000000 0.0000000 0.8332305), wk = 0.0035714 k( 42) = ( 0.0000000 0.0000000 0.8540612), wk = 0.0035714 k( 43) = ( 0.0000000 0.0000000 0.8540612), wk = 0.0035714 k( 44) = ( -0.0118514 0.0164119 0.8540612), wk = 0.0035714 k( 45) = ( -0.0237029 0.0328238 0.8540612), wk = 0.0035714 k( 46) = ( -0.0355543 0.0492357 0.8540612), wk = 0.0035714 k( 47) = ( -0.0474057 0.0656476 0.8540612), wk = 0.0035714 k( 48) = ( -0.0592571 0.0820595 0.8540612), wk = 0.0035714 k( 49) = ( -0.0711086 0.0984714 0.8540612), wk = 0.0035714 k( 50) = ( -0.0829600 0.1148833 0.8540612), wk = 0.0035714 k( 51) = ( -0.0948114 0.1312952 0.8540612), wk = 0.0035714 k( 52) = ( -0.1066629 0.1477071 0.8540612), wk = 0.0035714 k( 53) = ( -0.1185143 0.1641191 0.8540612), wk = 0.0035714 k( 54) = ( -0.1303657 0.1805310 0.8540612), wk = 0.0035714 k( 55) = ( -0.1303657 0.1805310 0.8540612), wk = 0.0035714 k( 56) = ( -0.1391665 0.1927184 0.8390283), wk = 0.0035714 k( 57) = ( -0.1479673 0.2049058 0.8239955), wk = 0.0035714 k( 58) = ( -0.1567681 0.2170932 0.8089626), wk = 0.0035714 k( 59) = ( -0.1655690 0.2292806 0.7939297), wk = 0.0035714 k( 60) = ( -0.1743698 0.2414680 0.7788969), wk = 0.0035714 k( 61) = ( -0.1831706 0.2536554 0.7638640), wk = 0.0035714 k( 62) = ( -0.1919714 0.2658428 0.7488311), wk = 0.0035714 k( 63) = ( -0.2007722 0.2780302 0.7337982), wk = 0.0035714 k( 64) = ( -0.2095731 0.2902176 0.7187654), wk = 0.0035714 k( 65) = ( -0.2183739 0.3024050 0.7037325), wk = 0.0035714 k( 66) = ( -0.2271747 0.3145924 0.6886996), wk = 0.0035714 k( 67) = ( -0.2359755 0.3267798 0.6736668), wk = 0.0035714 k( 68) = ( -0.2447763 0.3389672 0.6586339), wk = 0.0035714 k( 69) = ( -0.2535771 0.3511547 0.6436010), wk = 0.0035714 k( 70) = ( -0.2623780 0.3633420 0.6285681), wk = 0.0035714 k( 71) = ( -0.2711788 0.3755295 0.6135353), wk = 0.0035714 k( 72) = ( -0.2799796 0.3877169 0.5985024), wk = 0.0035714 k( 73) = ( -0.2887804 0.3999043 0.5834695), wk = 0.0035714 k( 74) = ( -0.2975812 0.4120917 0.5684367), wk = 0.0035714 k( 75) = ( -0.3063820 0.4242791 0.5534038), wk = 0.0035714 k( 76) = ( -0.3151829 0.4364665 0.5383709), wk = 0.0035714 k( 77) = ( -0.3151829 0.4364665 0.5383709), wk = 0.0035714 k( 78) = ( -0.3064278 0.4243424 0.5234162), wk = 0.0035714 k( 79) = ( -0.2976727 0.4122183 0.5084614), wk = 0.0035714 k( 80) = ( -0.2889176 0.4000943 0.4935067), wk = 0.0035714 k( 81) = ( -0.2801625 0.3879702 0.4785519), wk = 0.0035714 k( 82) = ( -0.2714075 0.3758462 0.4635972), wk = 0.0035714 k( 83) = ( -0.2626524 0.3637221 0.4486424), wk = 0.0035714 k( 84) = ( -0.2538973 0.3515980 0.4336877), wk = 0.0035714 k( 85) = ( -0.2451422 0.3394739 0.4187329), wk = 0.0035714 k( 86) = ( -0.2363871 0.3273499 0.4037782), wk = 0.0035714 k( 87) = ( -0.2276321 0.3152258 0.3888234), wk = 0.0035714 k( 88) = ( -0.2188770 0.3031017 0.3738687), wk = 0.0035714 k( 89) = ( -0.2101219 0.2909777 0.3589139), wk = 0.0035714 k( 90) = ( -0.2013668 0.2788536 0.3439592), wk = 0.0035714 k( 91) = ( -0.1926117 0.2667295 0.3290044), wk = 0.0035714 k( 92) = ( -0.1838567 0.2546054 0.3140497), wk = 0.0035714 k( 93) = ( -0.1751016 0.2424814 0.2990949), wk = 0.0035714 k( 94) = ( -0.1663465 0.2303573 0.2841402), wk = 0.0035714 k( 95) = ( -0.1575914 0.2182333 0.2691855), wk = 0.0035714 k( 96) = ( -0.1488364 0.2061092 0.2542307), wk = 0.0035714 k( 97) = ( -0.1400813 0.1939851 0.2392760), wk = 0.0035714 k( 98) = ( -0.1313262 0.1818610 0.2243212), wk = 0.0035714 k( 99) = ( -0.1225711 0.1697370 0.2093665), wk = 0.0035714 k( 100) = ( -0.1138160 0.1576129 0.1944117), wk = 0.0035714 k( 101) = ( -0.1050610 0.1454888 0.1794570), wk = 0.0035714 k( 102) = ( -0.0963059 0.1333648 0.1645022), wk = 0.0035714 k( 103) = ( -0.0875508 0.1212407 0.1495475), wk = 0.0035714 k( 104) = ( -0.0787957 0.1091166 0.1345927), wk = 0.0035714 k( 105) = ( -0.0700406 0.0969925 0.1196380), wk = 0.0035714 k( 106) = ( -0.0612856 0.0848685 0.1046832), wk = 0.0035714 k( 107) = ( -0.0525305 0.0727444 0.0897285), wk = 0.0035714 k( 108) = ( -0.0437754 0.0606204 0.0747737), wk = 0.0035714 k( 109) = ( -0.0350203 0.0484963 0.0598190), wk = 0.0035714 k( 110) = ( -0.0262652 0.0363722 0.0448642), wk = 0.0035714 k( 111) = ( -0.0175102 0.0242481 0.0299095), wk = 0.0035714 k( 112) = ( -0.0087551 0.0121241 0.0149547), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 115) = ( 0.0166667 0.0120354 -0.0000000), wk = 0.0035714 k( 116) = ( 0.0333333 0.0240708 -0.0000000), wk = 0.0035714 k( 117) = ( 0.0500000 0.0361062 -0.0000000), wk = 0.0035714 k( 118) = ( 0.0666667 0.0481416 -0.0000000), wk = 0.0035714 k( 119) = ( 0.0833333 0.0601770 -0.0000000), wk = 0.0035714 k( 120) = ( 0.1000000 0.0722124 -0.0000000), wk = 0.0035714 k( 121) = ( 0.1166667 0.0842478 -0.0000000), wk = 0.0035714 k( 122) = ( 0.1333333 0.0962832 -0.0000000), wk = 0.0035714 k( 123) = ( 0.1500000 0.1083186 -0.0000000), wk = 0.0035714 k( 124) = ( 0.1666667 0.1203540 -0.0000000), wk = 0.0035714 k( 125) = ( 0.1833333 0.1323894 -0.0000000), wk = 0.0035714 k( 126) = ( 0.2000000 0.1444248 -0.0000000), wk = 0.0035714 k( 127) = ( 0.2166667 0.1564602 -0.0000000), wk = 0.0035714 k( 128) = ( 0.2333333 0.1684956 -0.0000000), wk = 0.0035714 k( 129) = ( 0.2500000 0.1805310 -0.0000000), wk = 0.0035714 k( 130) = ( 0.2666667 0.1925664 -0.0000000), wk = 0.0035714 k( 131) = ( 0.2833333 0.2046017 -0.0000000), wk = 0.0035714 k( 132) = ( 0.3000000 0.2166371 -0.0000000), wk = 0.0035714 k( 133) = ( 0.3166667 0.2286725 -0.0000000), wk = 0.0035714 k( 134) = ( 0.3333333 0.2407079 -0.0000000), wk = 0.0035714 k( 135) = ( 0.3500000 0.2527433 -0.0000000), wk = 0.0035714 k( 136) = ( 0.3666667 0.2647787 -0.0000000), wk = 0.0035714 k( 137) = ( 0.3833333 0.2768141 -0.0000000), wk = 0.0035714 k( 138) = ( 0.4000000 0.2888495 -0.0000000), wk = 0.0035714 k( 139) = ( 0.4166667 0.3008849 -0.0000000), wk = 0.0035714 k( 140) = ( 0.4333333 0.3129203 -0.0000000), wk = 0.0035714 k( 141) = ( 0.4500000 0.3249557 -0.0000000), wk = 0.0035714 k( 142) = ( 0.4666667 0.3369911 -0.0000000), wk = 0.0035714 k( 143) = ( 0.4833333 0.3490265 -0.0000000), wk = 0.0035714 k( 144) = ( 0.5000000 0.3610619 -0.0000000), wk = 0.0035714 k( 145) = ( 0.5000000 0.3610619 -0.0000000), wk = 0.0035714 k( 146) = ( 0.4911992 0.3732493 0.0150329), wk = 0.0035714 k( 147) = ( 0.4823984 0.3854367 0.0300657), wk = 0.0035714 k( 148) = ( 0.4735975 0.3976241 0.0450986), wk = 0.0035714 k( 149) = ( 0.4647967 0.4098115 0.0601315), wk = 0.0035714 k( 150) = ( 0.4559959 0.4219989 0.0751644), wk = 0.0035714 k( 151) = ( 0.4471951 0.4341864 0.0901972), wk = 0.0035714 k( 152) = ( 0.4383943 0.4463738 0.1052301), wk = 0.0035714 k( 153) = ( 0.4295935 0.4585612 0.1202630), wk = 0.0035714 k( 154) = ( 0.4207926 0.4707486 0.1352959), wk = 0.0035714 k( 155) = ( 0.4119918 0.4829360 0.1503287), wk = 0.0035714 k( 156) = ( 0.4031910 0.4951234 0.1653616), wk = 0.0035714 k( 157) = ( 0.3943902 0.5073108 0.1803945), wk = 0.0035714 k( 158) = ( 0.3855894 0.5194982 0.1954273), wk = 0.0035714 k( 159) = ( 0.3767886 0.5316856 0.2104602), wk = 0.0035714 k( 160) = ( 0.3679878 0.5438730 0.2254931), wk = 0.0035714 k( 161) = ( 0.3591869 0.5560604 0.2405260), wk = 0.0035714 k( 162) = ( 0.3503861 0.5682478 0.2555588), wk = 0.0035714 k( 163) = ( 0.3415853 0.5804352 0.2705917), wk = 0.0035714 k( 164) = ( 0.3327845 0.5926226 0.2856246), wk = 0.0035714 k( 165) = ( 0.3239837 0.6048100 0.3006574), wk = 0.0035714 k( 166) = ( 0.3151829 0.6169975 0.3156903), wk = 0.0035714 k( 167) = ( 0.3151829 0.6169975 0.3156903), wk = 0.0035714 k( 168) = ( 0.2966427 0.6116877 0.3222397), wk = 0.0035714 k( 169) = ( 0.2781025 0.6063780 0.3287892), wk = 0.0035714 k( 170) = ( 0.2595623 0.6010682 0.3353386), wk = 0.0035714 k( 171) = ( 0.2410222 0.5957585 0.3418880), wk = 0.0035714 k( 172) = ( 0.2224820 0.5904488 0.3484375), wk = 0.0035714 k( 173) = ( 0.2039419 0.5851390 0.3549869), wk = 0.0035714 k( 174) = ( 0.1854017 0.5798293 0.3615363), wk = 0.0035714 k( 175) = ( 0.1668615 0.5745196 0.3680857), wk = 0.0035714 k( 176) = ( 0.1483213 0.5692098 0.3746352), wk = 0.0035714 k( 177) = ( 0.1297812 0.5639001 0.3811846), wk = 0.0035714 k( 178) = ( 0.1112410 0.5585904 0.3877340), wk = 0.0035714 k( 179) = ( 0.0927008 0.5532806 0.3942835), wk = 0.0035714 k( 180) = ( 0.0741607 0.5479709 0.4008329), wk = 0.0035714 k( 181) = ( 0.0556205 0.5426612 0.4073823), wk = 0.0035714 k( 182) = ( 0.0370803 0.5373514 0.4139317), wk = 0.0035714 k( 183) = ( 0.0185402 0.5320417 0.4204812), wk = 0.0035714 k( 184) = ( 0.0000000 0.5267320 0.4270306), wk = 0.0035714 k( 185) = ( 0.0000000 0.5267320 0.4270306), wk = 0.0035714 k( 186) = ( 0.0086207 0.5147940 0.4417558), wk = 0.0035714 k( 187) = ( 0.0172414 0.5028560 0.4564810), wk = 0.0035714 k( 188) = ( 0.0258621 0.4909181 0.4712062), wk = 0.0035714 k( 189) = ( 0.0344828 0.4789801 0.4859314), wk = 0.0035714 k( 190) = ( 0.0431035 0.4670421 0.5006566), wk = 0.0035714 k( 191) = ( 0.0517241 0.4551042 0.5153818), wk = 0.0035714 k( 192) = ( 0.0603448 0.4431662 0.5301070), wk = 0.0035714 k( 193) = ( 0.0689655 0.4312282 0.5448322), wk = 0.0035714 k( 194) = ( 0.0775862 0.4192903 0.5595574), wk = 0.0035714 k( 195) = ( 0.0862069 0.4073523 0.5742826), wk = 0.0035714 k( 196) = ( 0.0948276 0.3954143 0.5890077), wk = 0.0035714 k( 197) = ( 0.1034483 0.3834764 0.6037329), wk = 0.0035714 k( 198) = ( 0.1120690 0.3715384 0.6184581), wk = 0.0035714 k( 199) = ( 0.1206897 0.3596004 0.6331833), wk = 0.0035714 k( 200) = ( 0.1293103 0.3476625 0.6479085), wk = 0.0035714 k( 201) = ( 0.1379310 0.3357245 0.6626337), wk = 0.0035714 k( 202) = ( 0.1465517 0.3237866 0.6773589), wk = 0.0035714 k( 203) = ( 0.1551724 0.3118486 0.6920841), wk = 0.0035714 k( 204) = ( 0.1637931 0.2999106 0.7068093), wk = 0.0035714 k( 205) = ( 0.1724138 0.2879727 0.7215345), wk = 0.0035714 k( 206) = ( 0.1810345 0.2760347 0.7362597), wk = 0.0035714 k( 207) = ( 0.1896552 0.2640967 0.7509849), wk = 0.0035714 k( 208) = ( 0.1982759 0.2521588 0.7657101), wk = 0.0035714 k( 209) = ( 0.2068966 0.2402208 0.7804353), wk = 0.0035714 k( 210) = ( 0.2155172 0.2282828 0.7951604), wk = 0.0035714 k( 211) = ( 0.2241379 0.2163449 0.8098856), wk = 0.0035714 k( 212) = ( 0.2327586 0.2044069 0.8246108), wk = 0.0035714 k( 213) = ( 0.2413793 0.1924689 0.8393360), wk = 0.0035714 k( 214) = ( 0.2500000 0.1805310 0.8540612), wk = 0.0035714 k( 215) = ( 0.2500000 0.1805310 0.8540612), wk = 0.0035714 k( 216) = ( 0.2638889 0.1905605 0.8416901), wk = 0.0035714 k( 217) = ( 0.2777778 0.2005900 0.8293189), wk = 0.0035714 k( 218) = ( 0.2916667 0.2106195 0.8169478), wk = 0.0035714 k( 219) = ( 0.3055556 0.2206489 0.8045767), wk = 0.0035714 k( 220) = ( 0.3194444 0.2306784 0.7922055), wk = 0.0035714 k( 221) = ( 0.3333333 0.2407079 0.7798344), wk = 0.0035714 k( 222) = ( 0.3472222 0.2507374 0.7674632), wk = 0.0035714 k( 223) = ( 0.3611111 0.2607669 0.7550921), wk = 0.0035714 k( 224) = ( 0.3750000 0.2707964 0.7427209), wk = 0.0035714 k( 225) = ( 0.3888889 0.2808259 0.7303498), wk = 0.0035714 k( 226) = ( 0.4027778 0.2908554 0.7179786), wk = 0.0035714 k( 227) = ( 0.4166667 0.3008849 0.7056075), wk = 0.0035714 k( 228) = ( 0.4305556 0.3109144 0.6932364), wk = 0.0035714 k( 229) = ( 0.4444444 0.3209439 0.6808652), wk = 0.0035714 k( 230) = ( 0.4583333 0.3309734 0.6684941), wk = 0.0035714 k( 231) = ( 0.4722222 0.3410029 0.6561229), wk = 0.0035714 k( 232) = ( 0.4861111 0.3510324 0.6437518), wk = 0.0035714 k( 233) = ( 0.5000000 0.3610619 0.6313806), wk = 0.0035714 k( 234) = ( 0.5000000 0.3610619 0.6313806), wk = 0.0035714 k( 235) = ( 0.5000000 0.3610619 0.6103346), wk = 0.0035714 k( 236) = ( 0.5000000 0.3610619 0.5892886), wk = 0.0035714 k( 237) = ( 0.5000000 0.3610619 0.5682426), wk = 0.0035714 k( 238) = ( 0.5000000 0.3610619 0.5471965), wk = 0.0035714 k( 239) = ( 0.5000000 0.3610619 0.5261505), wk = 0.0035714 k( 240) = ( 0.5000000 0.3610619 0.5051045), wk = 0.0035714 k( 241) = ( 0.5000000 0.3610619 0.4840585), wk = 0.0035714 k( 242) = ( 0.5000000 0.3610619 0.4630125), wk = 0.0035714 k( 243) = ( 0.5000000 0.3610619 0.4419665), wk = 0.0035714 k( 244) = ( 0.5000000 0.3610619 0.4209204), wk = 0.0035714 k( 245) = ( 0.5000000 0.3610619 0.3998744), wk = 0.0035714 k( 246) = ( 0.5000000 0.3610619 0.3788284), wk = 0.0035714 k( 247) = ( 0.5000000 0.3610619 0.3577824), wk = 0.0035714 k( 248) = ( 0.5000000 0.3610619 0.3367363), wk = 0.0035714 k( 249) = ( 0.5000000 0.3610619 0.3156903), wk = 0.0035714 k( 250) = ( 0.5000000 0.3610619 0.2946443), wk = 0.0035714 k( 251) = ( 0.5000000 0.3610619 0.2735983), wk = 0.0035714 k( 252) = ( 0.5000000 0.3610619 0.2525523), wk = 0.0035714 k( 253) = ( 0.5000000 0.3610619 0.2315062), wk = 0.0035714 k( 254) = ( 0.5000000 0.3610619 0.2104602), wk = 0.0035714 k( 255) = ( 0.5000000 0.3610619 0.1894142), wk = 0.0035714 k( 256) = ( 0.5000000 0.3610619 0.1683682), wk = 0.0035714 k( 257) = ( 0.5000000 0.3610619 0.1473221), wk = 0.0035714 k( 258) = ( 0.5000000 0.3610619 0.1262761), wk = 0.0035714 k( 259) = ( 0.5000000 0.3610619 0.1052301), wk = 0.0035714 k( 260) = ( 0.5000000 0.3610619 0.0841841), wk = 0.0035714 k( 261) = ( 0.5000000 0.3610619 0.0631381), wk = 0.0035714 k( 262) = ( 0.5000000 0.3610619 0.0420920), wk = 0.0035714 k( 263) = ( 0.5000000 0.3610619 0.0210460), wk = 0.0035714 k( 264) = ( 0.5000000 0.3610619 -0.0000000), wk = 0.0035714 k( 265) = ( 0.0000000 0.0000000 0.8540612), wk = 0.0035714 k( 266) = ( 0.0166667 0.0120354 0.8540612), wk = 0.0035714 k( 267) = ( 0.0333333 0.0240708 0.8540612), wk = 0.0035714 k( 268) = ( 0.0500000 0.0361062 0.8540612), wk = 0.0035714 k( 269) = ( 0.0666667 0.0481416 0.8540612), wk = 0.0035714 k( 270) = ( 0.0833333 0.0601770 0.8540612), wk = 0.0035714 k( 271) = ( 0.1000000 0.0722124 0.8540612), wk = 0.0035714 k( 272) = ( 0.1166667 0.0842478 0.8540612), wk = 0.0035714 k( 273) = ( 0.1333333 0.0962832 0.8540612), wk = 0.0035714 k( 274) = ( 0.1500000 0.1083186 0.8540612), wk = 0.0035714 k( 275) = ( 0.1666667 0.1203540 0.8540612), wk = 0.0035714 k( 276) = ( 0.1833333 0.1323894 0.8540612), wk = 0.0035714 k( 277) = ( 0.2000000 0.1444248 0.8540612), wk = 0.0035714 k( 278) = ( 0.2166667 0.1564602 0.8540612), wk = 0.0035714 k( 279) = ( 0.2333333 0.1684956 0.8540612), wk = 0.0035714 k( 280) = ( 0.2500000 0.1805310 0.8540612), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0035714 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0035714 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0035714 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0035714 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0035714 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0035714 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0035714 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0035714 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0035714 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0035714 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0035714 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0035714 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0035714 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0035714 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0035714 k( 17) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0035714 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0035714 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0035714 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0035714 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0035714 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0035714 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0035714 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0035714 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0035714 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0035714 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0035714 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0035714 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0035714 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0035714 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0035714 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0035714 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0035714 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0035714 k( 35) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0035714 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0035714 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0035714 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0035714 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0035714 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0035714 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0035714 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 44) = ( -0.0118514 0.0118514 0.5000000), wk = 0.0035714 k( 45) = ( -0.0237029 0.0237029 0.5000000), wk = 0.0035714 k( 46) = ( -0.0355543 0.0355543 0.5000000), wk = 0.0035714 k( 47) = ( -0.0474057 0.0474057 0.5000000), wk = 0.0035714 k( 48) = ( -0.0592571 0.0592571 0.5000000), wk = 0.0035714 k( 49) = ( -0.0711086 0.0711086 0.5000000), wk = 0.0035714 k( 50) = ( -0.0829600 0.0829600 0.5000000), wk = 0.0035714 k( 51) = ( -0.0948114 0.0948114 0.5000000), wk = 0.0035714 k( 52) = ( -0.1066629 0.1066629 0.5000000), wk = 0.0035714 k( 53) = ( -0.1185143 0.1185143 0.5000000), wk = 0.0035714 k( 54) = ( -0.1303657 0.1303657 0.5000000), wk = 0.0035714 k( 55) = ( -0.1303657 0.1303657 0.5000000), wk = 0.0035714 k( 56) = ( -0.1391665 0.1391665 0.4911992), wk = 0.0035714 k( 57) = ( -0.1479673 0.1479673 0.4823984), wk = 0.0035714 k( 58) = ( -0.1567681 0.1567682 0.4735975), wk = 0.0035714 k( 59) = ( -0.1655690 0.1655690 0.4647967), wk = 0.0035714 k( 60) = ( -0.1743698 0.1743698 0.4559959), wk = 0.0035714 k( 61) = ( -0.1831706 0.1831706 0.4471951), wk = 0.0035714 k( 62) = ( -0.1919714 0.1919714 0.4383943), wk = 0.0035714 k( 63) = ( -0.2007722 0.2007722 0.4295935), wk = 0.0035714 k( 64) = ( -0.2095731 0.2095731 0.4207926), wk = 0.0035714 k( 65) = ( -0.2183739 0.2183739 0.4119918), wk = 0.0035714 k( 66) = ( -0.2271747 0.2271747 0.4031910), wk = 0.0035714 k( 67) = ( -0.2359755 0.2359755 0.3943902), wk = 0.0035714 k( 68) = ( -0.2447763 0.2447763 0.3855894), wk = 0.0035714 k( 69) = ( -0.2535771 0.2535771 0.3767886), wk = 0.0035714 k( 70) = ( -0.2623780 0.2623780 0.3679878), wk = 0.0035714 k( 71) = ( -0.2711788 0.2711788 0.3591869), wk = 0.0035714 k( 72) = ( -0.2799796 0.2799796 0.3503861), wk = 0.0035714 k( 73) = ( -0.2887804 0.2887804 0.3415853), wk = 0.0035714 k( 74) = ( -0.2975812 0.2975812 0.3327845), wk = 0.0035714 k( 75) = ( -0.3063820 0.3063820 0.3239837), wk = 0.0035714 k( 76) = ( -0.3151829 0.3151829 0.3151829), wk = 0.0035714 k( 77) = ( -0.3151829 0.3151829 0.3151829), wk = 0.0035714 k( 78) = ( -0.3064278 0.3064278 0.3064278), wk = 0.0035714 k( 79) = ( -0.2976727 0.2976727 0.2976727), wk = 0.0035714 k( 80) = ( -0.2889176 0.2889176 0.2889176), wk = 0.0035714 k( 81) = ( -0.2801625 0.2801625 0.2801625), wk = 0.0035714 k( 82) = ( -0.2714075 0.2714075 0.2714075), wk = 0.0035714 k( 83) = ( -0.2626524 0.2626524 0.2626524), wk = 0.0035714 k( 84) = ( -0.2538973 0.2538973 0.2538973), wk = 0.0035714 k( 85) = ( -0.2451422 0.2451422 0.2451422), wk = 0.0035714 k( 86) = ( -0.2363871 0.2363871 0.2363871), wk = 0.0035714 k( 87) = ( -0.2276321 0.2276321 0.2276321), wk = 0.0035714 k( 88) = ( -0.2188770 0.2188770 0.2188770), wk = 0.0035714 k( 89) = ( -0.2101219 0.2101219 0.2101219), wk = 0.0035714 k( 90) = ( -0.2013668 0.2013668 0.2013668), wk = 0.0035714 k( 91) = ( -0.1926117 0.1926117 0.1926117), wk = 0.0035714 k( 92) = ( -0.1838567 0.1838567 0.1838567), wk = 0.0035714 k( 93) = ( -0.1751016 0.1751016 0.1751016), wk = 0.0035714 k( 94) = ( -0.1663465 0.1663465 0.1663465), wk = 0.0035714 k( 95) = ( -0.1575914 0.1575914 0.1575914), wk = 0.0035714 k( 96) = ( -0.1488364 0.1488364 0.1488364), wk = 0.0035714 k( 97) = ( -0.1400813 0.1400813 0.1400813), wk = 0.0035714 k( 98) = ( -0.1313262 0.1313262 0.1313262), wk = 0.0035714 k( 99) = ( -0.1225711 0.1225711 0.1225711), wk = 0.0035714 k( 100) = ( -0.1138160 0.1138160 0.1138160), wk = 0.0035714 k( 101) = ( -0.1050610 0.1050610 0.1050610), wk = 0.0035714 k( 102) = ( -0.0963059 0.0963059 0.0963059), wk = 0.0035714 k( 103) = ( -0.0875508 0.0875508 0.0875508), wk = 0.0035714 k( 104) = ( -0.0787957 0.0787957 0.0787957), wk = 0.0035714 k( 105) = ( -0.0700406 0.0700406 0.0700406), wk = 0.0035714 k( 106) = ( -0.0612856 0.0612856 0.0612856), wk = 0.0035714 k( 107) = ( -0.0525305 0.0525305 0.0525305), wk = 0.0035714 k( 108) = ( -0.0437754 0.0437754 0.0437754), wk = 0.0035714 k( 109) = ( -0.0350203 0.0350203 0.0350203), wk = 0.0035714 k( 110) = ( -0.0262652 0.0262652 0.0262652), wk = 0.0035714 k( 111) = ( -0.0175102 0.0175102 0.0175102), wk = 0.0035714 k( 112) = ( -0.0087551 0.0087551 0.0087551), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 115) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0035714 k( 116) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0035714 k( 117) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0035714 k( 118) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0035714 k( 119) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0035714 k( 120) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0035714 k( 121) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0035714 k( 122) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0035714 k( 123) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0035714 k( 124) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0035714 k( 125) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0035714 k( 126) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0035714 k( 127) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0035714 k( 128) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0035714 k( 129) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035714 k( 130) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0035714 k( 131) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0035714 k( 132) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0035714 k( 133) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0035714 k( 134) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0035714 k( 135) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0035714 k( 136) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0035714 k( 137) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0035714 k( 138) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0035714 k( 139) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0035714 k( 140) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0035714 k( 141) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0035714 k( 142) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0035714 k( 143) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0035714 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035714 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035714 k( 146) = ( 0.4911992 0.5088008 -0.4911992), wk = 0.0035714 k( 147) = ( 0.4823984 0.5176016 -0.4823984), wk = 0.0035714 k( 148) = ( 0.4735975 0.5264024 -0.4735975), wk = 0.0035714 k( 149) = ( 0.4647967 0.5352033 -0.4647967), wk = 0.0035714 k( 150) = ( 0.4559959 0.5440041 -0.4559959), wk = 0.0035714 k( 151) = ( 0.4471951 0.5528049 -0.4471951), wk = 0.0035714 k( 152) = ( 0.4383943 0.5616057 -0.4383943), wk = 0.0035714 k( 153) = ( 0.4295935 0.5704065 -0.4295935), wk = 0.0035714 k( 154) = ( 0.4207926 0.5792074 -0.4207926), wk = 0.0035714 k( 155) = ( 0.4119918 0.5880082 -0.4119918), wk = 0.0035714 k( 156) = ( 0.4031910 0.5968090 -0.4031910), wk = 0.0035714 k( 157) = ( 0.3943902 0.6056098 -0.3943902), wk = 0.0035714 k( 158) = ( 0.3855894 0.6144106 -0.3855894), wk = 0.0035714 k( 159) = ( 0.3767886 0.6232114 -0.3767886), wk = 0.0035714 k( 160) = ( 0.3679878 0.6320123 -0.3679877), wk = 0.0035714 k( 161) = ( 0.3591869 0.6408131 -0.3591869), wk = 0.0035714 k( 162) = ( 0.3503861 0.6496139 -0.3503861), wk = 0.0035714 k( 163) = ( 0.3415853 0.6584147 -0.3415853), wk = 0.0035714 k( 164) = ( 0.3327845 0.6672155 -0.3327845), wk = 0.0035714 k( 165) = ( 0.3239837 0.6760163 -0.3239837), wk = 0.0035714 k( 166) = ( 0.3151829 0.6848171 -0.3151829), wk = 0.0035714 k( 167) = ( 0.3151829 0.6848171 -0.3151829), wk = 0.0035714 k( 168) = ( 0.2966427 0.6739456 -0.2966427), wk = 0.0035714 k( 169) = ( 0.2781025 0.6630740 -0.2781025), wk = 0.0035714 k( 170) = ( 0.2595623 0.6522024 -0.2595623), wk = 0.0035714 k( 171) = ( 0.2410222 0.6413308 -0.2410222), wk = 0.0035714 k( 172) = ( 0.2224820 0.6304592 -0.2224820), wk = 0.0035714 k( 173) = ( 0.2039419 0.6195876 -0.2039418), wk = 0.0035714 k( 174) = ( 0.1854017 0.6087160 -0.1854017), wk = 0.0035714 k( 175) = ( 0.1668615 0.5978444 -0.1668615), wk = 0.0035714 k( 176) = ( 0.1483213 0.5869728 -0.1483213), wk = 0.0035714 k( 177) = ( 0.1297812 0.5761012 -0.1297812), wk = 0.0035714 k( 178) = ( 0.1112410 0.5652296 -0.1112410), wk = 0.0035714 k( 179) = ( 0.0927008 0.5543580 -0.0927008), wk = 0.0035714 k( 180) = ( 0.0741607 0.5434864 -0.0741607), wk = 0.0035714 k( 181) = ( 0.0556205 0.5326148 -0.0556205), wk = 0.0035714 k( 182) = ( 0.0370803 0.5217432 -0.0370803), wk = 0.0035714 k( 183) = ( 0.0185402 0.5108716 -0.0185402), wk = 0.0035714 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035714 k( 185) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035714 k( 186) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035714 k( 187) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035714 k( 188) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035714 k( 189) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035714 k( 190) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0035714 k( 191) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035714 k( 192) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035714 k( 193) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035714 k( 194) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035714 k( 195) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035714 k( 196) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035714 k( 197) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035714 k( 198) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035714 k( 199) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035714 k( 200) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035714 k( 201) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035714 k( 202) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035714 k( 203) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035714 k( 204) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035714 k( 205) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035714 k( 206) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035714 k( 207) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035714 k( 208) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035714 k( 209) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0035714 k( 210) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035714 k( 211) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035714 k( 212) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035714 k( 213) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035714 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 k( 216) = ( 0.2638889 0.2638889 0.2288686), wk = 0.0035714 k( 217) = ( 0.2777778 0.2777778 0.2077371), wk = 0.0035714 k( 218) = ( 0.2916667 0.2916667 0.1866057), wk = 0.0035714 k( 219) = ( 0.3055556 0.3055556 0.1654743), wk = 0.0035714 k( 220) = ( 0.3194444 0.3194444 0.1443429), wk = 0.0035714 k( 221) = ( 0.3333333 0.3333333 0.1232114), wk = 0.0035714 k( 222) = ( 0.3472222 0.3472222 0.1020800), wk = 0.0035714 k( 223) = ( 0.3611111 0.3611111 0.0809486), wk = 0.0035714 k( 224) = ( 0.3750000 0.3750000 0.0598172), wk = 0.0035714 k( 225) = ( 0.3888889 0.3888889 0.0386857), wk = 0.0035714 k( 226) = ( 0.4027778 0.4027778 0.0175543), wk = 0.0035714 k( 227) = ( 0.4166667 0.4166667 -0.0035771), wk = 0.0035714 k( 228) = ( 0.4305556 0.4305556 -0.0247086), wk = 0.0035714 k( 229) = ( 0.4444444 0.4444444 -0.0458400), wk = 0.0035714 k( 230) = ( 0.4583333 0.4583333 -0.0669714), wk = 0.0035714 k( 231) = ( 0.4722222 0.4722222 -0.0881028), wk = 0.0035714 k( 232) = ( 0.4861111 0.4861111 -0.1092343), wk = 0.0035714 k( 233) = ( 0.5000000 0.5000000 -0.1303657), wk = 0.0035714 k( 234) = ( 0.5000000 0.5000000 -0.1303657), wk = 0.0035714 k( 235) = ( 0.5000000 0.5000000 -0.1426868), wk = 0.0035714 k( 236) = ( 0.5000000 0.5000000 -0.1550080), wk = 0.0035714 k( 237) = ( 0.5000000 0.5000000 -0.1673291), wk = 0.0035714 k( 238) = ( 0.5000000 0.5000000 -0.1796503), wk = 0.0035714 k( 239) = ( 0.5000000 0.5000000 -0.1919714), wk = 0.0035714 k( 240) = ( 0.5000000 0.5000000 -0.2042926), wk = 0.0035714 k( 241) = ( 0.5000000 0.5000000 -0.2166137), wk = 0.0035714 k( 242) = ( 0.5000000 0.5000000 -0.2289348), wk = 0.0035714 k( 243) = ( 0.5000000 0.5000000 -0.2412560), wk = 0.0035714 k( 244) = ( 0.5000000 0.5000000 -0.2535771), wk = 0.0035714 k( 245) = ( 0.5000000 0.5000000 -0.2658983), wk = 0.0035714 k( 246) = ( 0.5000000 0.5000000 -0.2782194), wk = 0.0035714 k( 247) = ( 0.5000000 0.5000000 -0.2905406), wk = 0.0035714 k( 248) = ( 0.5000000 0.5000000 -0.3028617), wk = 0.0035714 k( 249) = ( 0.5000000 0.5000000 -0.3151828), wk = 0.0035714 k( 250) = ( 0.5000000 0.5000000 -0.3275040), wk = 0.0035714 k( 251) = ( 0.5000000 0.5000000 -0.3398251), wk = 0.0035714 k( 252) = ( 0.5000000 0.5000000 -0.3521463), wk = 0.0035714 k( 253) = ( 0.5000000 0.5000000 -0.3644674), wk = 0.0035714 k( 254) = ( 0.5000000 0.5000000 -0.3767886), wk = 0.0035714 k( 255) = ( 0.5000000 0.5000000 -0.3891097), wk = 0.0035714 k( 256) = ( 0.5000000 0.5000000 -0.4014308), wk = 0.0035714 k( 257) = ( 0.5000000 0.5000000 -0.4137520), wk = 0.0035714 k( 258) = ( 0.5000000 0.5000000 -0.4260731), wk = 0.0035714 k( 259) = ( 0.5000000 0.5000000 -0.4383943), wk = 0.0035714 k( 260) = ( 0.5000000 0.5000000 -0.4507154), wk = 0.0035714 k( 261) = ( 0.5000000 0.5000000 -0.4630366), wk = 0.0035714 k( 262) = ( 0.5000000 0.5000000 -0.4753577), wk = 0.0035714 k( 263) = ( 0.5000000 0.5000000 -0.4876789), wk = 0.0035714 k( 264) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035714 k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 266) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035714 k( 267) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035714 k( 268) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035714 k( 269) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035714 k( 270) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035714 k( 271) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035714 k( 272) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035714 k( 273) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035714 k( 274) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035714 k( 275) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035714 k( 276) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035714 k( 277) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035714 k( 278) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035714 k( 279) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035714 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 Dense grid: 68795 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 47157 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 258, 74) NL pseudopotentials 0.28 Mb ( 129, 144) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1434) G-vector shells 0.01 Mb ( 663) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 258, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.33 Mb ( 144, 2, 74) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Cu3AsSe4.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.9 secs Computing kpt #: 2 total cpu time spent up to now is 49.8 secs Computing kpt #: 3 total cpu time spent up to now is 54.5 secs Computing kpt #: 4 total cpu time spent up to now is 59.4 secs Computing kpt #: 5 total cpu time spent up to now is 64.0 secs Computing kpt #: 6 total cpu time spent up to now is 68.6 secs Computing kpt #: 7 total cpu time spent up to now is 73.3 secs Computing kpt #: 8 total cpu time spent up to now is 77.8 secs Computing kpt #: 9 total cpu time spent up to now is 82.5 secs Computing kpt #: 10 total cpu time spent up to now is 87.0 secs Computing kpt #: 11 total cpu time spent up to now is 91.4 secs Computing kpt #: 12 total cpu time spent up to now is 95.9 secs Computing kpt #: 13 total cpu time spent up to now is 100.3 secs Computing kpt #: 14 total cpu time spent up to now is 104.8 secs Computing kpt #: 15 total cpu time spent up to now is 109.2 secs Computing kpt #: 16 total cpu time spent up to now is 113.5 secs Computing kpt #: 17 total cpu time spent up to now is 117.8 secs Computing kpt #: 18 total cpu time spent up to now is 122.0 secs Computing kpt #: 19 total cpu time spent up to now is 126.1 secs Computing kpt #: 20 total cpu time spent up to now is 130.2 secs Computing kpt #: 21 total cpu time spent up to now is 134.4 secs Computing kpt #: 22 total cpu time spent up to now is 139.1 secs Computing kpt #: 23 total cpu time spent up to now is 143.4 secs Computing kpt #: 24 total cpu time spent up to now is 148.3 secs Computing kpt #: 25 total cpu time spent up to now is 152.6 secs Computing kpt #: 26 total cpu time spent up to now is 157.1 secs Computing kpt #: 27 total cpu time spent up to now is 161.8 secs Computing kpt #: 28 total cpu time spent up to now is 166.9 secs Computing kpt #: 29 total cpu time spent up to now is 172.3 secs Computing kpt #: 30 total cpu time spent up to now is 177.2 secs Computing kpt #: 31 total cpu time spent up to now is 181.7 secs Computing kpt #: 32 total cpu time spent up to now is 186.2 secs Computing kpt #: 33 total cpu time spent up to now is 191.1 secs Computing kpt #: 34 total cpu time spent up to now is 197.7 secs Computing kpt #: 35 total cpu time spent up to now is 202.2 secs Computing kpt #: 36 total cpu time spent up to now is 206.7 secs Computing kpt #: 37 total cpu time spent up to now is 211.3 secs Computing kpt #: 38 total cpu time spent up to now is 215.9 secs Computing kpt #: 39 total cpu time spent up to now is 220.4 secs Computing kpt #: 40 total cpu time spent up to now is 225.0 secs Computing kpt #: 41 total cpu time spent up to now is 229.5 secs Computing kpt #: 42 total cpu time spent up to now is 234.2 secs Computing kpt #: 43 total cpu time spent up to now is 239.1 secs Computing kpt #: 44 total cpu time spent up to now is 243.8 secs Computing kpt #: 45 total cpu time spent up to now is 248.3 secs Computing kpt #: 46 total cpu time spent up to now is 253.0 secs Computing kpt #: 47 total cpu time spent up to now is 257.5 secs Computing kpt #: 48 total cpu time spent up to now is 262.8 secs Computing kpt #: 49 total cpu time spent up to now is 267.3 secs Computing kpt #: 50 total cpu time spent up to now is 271.9 secs Computing kpt #: 51 total cpu time spent up to now is 276.6 secs Computing kpt #: 52 total cpu time spent up to now is 281.3 secs Computing kpt #: 53 total cpu time spent up to now is 286.0 secs Computing kpt #: 54 total cpu time spent up to now is 290.7 secs Computing kpt #: 55 total cpu time spent up to now is 295.3 secs Computing kpt #: 56 total cpu time spent up to now is 300.0 secs Computing kpt #: 57 total cpu time spent up to now is 304.8 secs Computing kpt #: 58 total cpu time spent up to now is 309.8 secs Computing kpt #: 59 total cpu time spent up to now is 314.2 secs Computing kpt #: 60 total cpu time spent up to now is 318.6 secs Computing kpt #: 61 total cpu time spent up to now is 323.0 secs Computing kpt #: 62 total cpu time spent up to now is 327.5 secs Computing kpt #: 63 total cpu time spent up to now is 332.0 secs Computing kpt #: 64 total cpu time spent up to now is 336.4 secs Computing kpt #: 65 total cpu time spent up to now is 341.0 secs Computing kpt #: 66 total cpu time spent up to now is 345.5 secs Computing kpt #: 67 total cpu time spent up to now is 350.0 secs Computing kpt #: 68 total cpu time spent up to now is 354.5 secs Computing kpt #: 69 total cpu time spent up to now is 359.6 secs Computing kpt #: 70 total cpu time spent up to now is 364.3 secs Computing kpt #: 71 total cpu time spent up to now is 369.0 secs Computing kpt #: 72 total cpu time spent up to now is 373.7 secs Computing kpt #: 73 total cpu time spent up to now is 378.5 secs Computing kpt #: 74 total cpu time spent up to now is 383.3 secs Computing kpt #: 75 total cpu time spent up to now is 388.5 secs Computing kpt #: 76 total cpu time spent up to now is 393.3 secs Computing kpt #: 77 total cpu time spent up to now is 397.9 secs Computing kpt #: 78 total cpu time spent up to now is 402.5 secs Computing kpt #: 79 total cpu time spent up to now is 407.0 secs Computing kpt #: 80 total cpu time spent up to now is 411.6 secs Computing kpt #: 81 total cpu time spent up to now is 416.5 secs Computing kpt #: 82 total cpu time spent up to now is 421.9 secs Computing kpt #: 83 total cpu time spent up to now is 427.8 secs Computing kpt #: 84 total cpu time spent up to now is 434.3 secs Computing kpt #: 85 total cpu time spent up to now is 441.5 secs Computing kpt #: 86 total cpu time spent up to now is 448.4 secs Computing kpt #: 87 total cpu time spent up to now is 457.6 secs Computing kpt #: 88 total cpu time spent up to now is 463.1 secs Computing kpt #: 89 total cpu time spent up to now is 468.5 secs Computing kpt #: 90 total cpu time spent up to now is 473.5 secs Computing kpt #: 91 total cpu time spent up to now is 478.0 secs Computing kpt #: 92 total cpu time spent up to now is 482.5 secs Computing kpt #: 93 total cpu time spent up to now is 487.0 secs Computing kpt #: 94 total cpu time spent up to now is 492.8 secs Computing kpt #: 95 total cpu time spent up to now is 498.5 secs Computing kpt #: 96 total cpu time spent up to now is 502.8 secs Computing kpt #: 97 total cpu time spent up to now is 507.2 secs Computing kpt #: 98 total cpu time spent up to now is 512.3 secs Computing kpt #: 99 total cpu time spent up to now is 516.7 secs Computing kpt #: 100 total cpu time spent up to now is 521.1 secs Computing kpt #: 101 total cpu time spent up to now is 525.5 secs Computing kpt #: 102 total cpu time spent up to now is 529.9 secs Computing kpt #: 103 total cpu time spent up to now is 534.3 secs Computing kpt #: 104 total cpu time spent up to now is 539.1 secs Computing kpt #: 105 total cpu time spent up to now is 543.9 secs Computing kpt #: 106 total cpu time spent up to now is 548.7 secs Computing kpt #: 107 total cpu time spent up to now is 553.5 secs Computing kpt #: 108 total cpu time spent up to now is 558.2 secs Computing kpt #: 109 total cpu time spent up to now is 563.0 secs Computing kpt #: 110 total cpu time spent up to now is 567.9 secs Computing kpt #: 111 total cpu time spent up to now is 572.7 secs Computing kpt #: 112 total cpu time spent up to now is 577.5 secs Computing kpt #: 113 total cpu time spent up to now is 582.2 secs Computing kpt #: 114 total cpu time spent up to now is 586.9 secs Computing kpt #: 115 total cpu time spent up to now is 591.5 secs Computing kpt #: 116 total cpu time spent up to now is 596.1 secs Computing kpt #: 117 total cpu time spent up to now is 600.8 secs Computing kpt #: 118 total cpu time spent up to now is 605.5 secs Computing kpt #: 119 total cpu time spent up to now is 610.3 secs Computing kpt #: 120 total cpu time spent up to now is 614.8 secs Computing kpt #: 121 total cpu time spent up to now is 619.3 secs Computing kpt #: 122 total cpu time spent up to now is 623.7 secs Computing kpt #: 123 total cpu time spent up to now is 628.2 secs Computing kpt #: 124 total cpu time spent up to now is 632.6 secs Computing kpt #: 125 total cpu time spent up to now is 637.0 secs Computing kpt #: 126 total cpu time spent up to now is 641.6 secs Computing kpt #: 127 total cpu time spent up to now is 646.1 secs Computing kpt #: 128 total cpu time spent up to now is 650.4 secs Computing kpt #: 129 total cpu time spent up to now is 654.8 secs Computing kpt #: 130 total cpu time spent up to now is 659.5 secs Computing kpt #: 131 total cpu time spent up to now is 664.1 secs Computing kpt #: 132 total cpu time spent up to now is 668.4 secs Computing kpt #: 133 total cpu time spent up to now is 672.7 secs Computing kpt #: 134 total cpu time spent up to now is 676.9 secs Computing kpt #: 135 total cpu time spent up to now is 681.2 secs Computing kpt #: 136 total cpu time spent up to now is 686.9 secs Computing kpt #: 137 total cpu time spent up to now is 691.5 secs Computing kpt #: 138 total cpu time spent up to now is 696.3 secs Computing kpt #: 139 total cpu time spent up to now is 701.0 secs Computing kpt #: 140 total cpu time spent up to now is 705.6 secs Computing kpt #: 141 total cpu time spent up to now is 710.1 secs Computing kpt #: 142 total cpu time spent up to now is 714.9 secs Computing kpt #: 143 total cpu time spent up to now is 719.6 secs Computing kpt #: 144 total cpu time spent up to now is 724.2 secs Computing kpt #: 145 total cpu time spent up to now is 728.8 secs Computing kpt #: 146 total cpu time spent up to now is 733.4 secs Computing kpt #: 147 total cpu time spent up to now is 738.1 secs Computing kpt #: 148 total cpu time spent up to now is 742.7 secs Computing kpt #: 149 total cpu time spent up to now is 747.4 secs Computing kpt #: 150 total cpu time spent up to now is 752.1 secs Computing kpt #: 151 total cpu time spent up to now is 756.7 secs Computing kpt #: 152 total cpu time spent up to now is 761.6 secs Computing kpt #: 153 total cpu time spent up to now is 766.4 secs Computing kpt #: 154 total cpu time spent up to now is 771.1 secs Computing kpt #: 155 total cpu time spent up to now is 775.9 secs Computing kpt #: 156 total cpu time spent up to now is 780.9 secs Computing kpt #: 157 total cpu time spent up to now is 785.7 secs Computing kpt #: 158 total cpu time spent up to now is 790.9 secs Computing kpt #: 159 total cpu time spent up to now is 797.9 secs Computing kpt #: 160 total cpu time spent up to now is 803.0 secs Computing kpt #: 161 total cpu time spent up to now is 808.0 secs Computing kpt #: 162 total cpu time spent up to now is 813.1 secs Computing kpt #: 163 total cpu time spent up to now is 818.5 secs Computing kpt #: 164 total cpu time spent up to now is 823.3 secs Computing kpt #: 165 total cpu time spent up to now is 828.1 secs Computing kpt #: 166 total cpu time spent up to now is 832.8 secs Computing kpt #: 167 total cpu time spent up to now is 837.5 secs Computing kpt #: 168 total cpu time spent up to now is 842.2 secs Computing kpt #: 169 total cpu time spent up to now is 846.9 secs Computing kpt #: 170 total cpu time spent up to now is 851.8 secs Computing kpt #: 171 total cpu time spent up to now is 856.7 secs Computing kpt #: 172 total cpu time spent up to now is 861.4 secs Computing kpt #: 173 total cpu time spent up to now is 866.1 secs Computing kpt #: 174 total cpu time spent up to now is 870.9 secs Computing kpt #: 175 total cpu time spent up to now is 875.6 secs Computing kpt #: 176 total cpu time spent up to now is 880.5 secs Computing kpt #: 177 total cpu time spent up to now is 885.6 secs Computing kpt #: 178 total cpu time spent up to now is 890.4 secs Computing kpt #: 179 total cpu time spent up to now is 895.2 secs Computing kpt #: 180 total cpu time spent up to now is 899.9 secs Computing kpt #: 181 total cpu time spent up to now is 904.6 secs Computing kpt #: 182 total cpu time spent up to now is 909.3 secs Computing kpt #: 183 total cpu time spent up to now is 914.0 secs Computing kpt #: 184 total cpu time spent up to now is 918.5 secs Computing kpt #: 185 total cpu time spent up to now is 923.1 secs Computing kpt #: 186 total cpu time spent up to now is 927.8 secs Computing kpt #: 187 total cpu time spent up to now is 932.5 secs Computing kpt #: 188 total cpu time spent up to now is 937.5 secs Computing kpt #: 189 total cpu time spent up to now is 942.4 secs Computing kpt #: 190 total cpu time spent up to now is 947.2 secs Computing kpt #: 191 total cpu time spent up to now is 951.9 secs Computing kpt #: 192 total cpu time spent up to now is 956.6 secs Computing kpt #: 193 total cpu time spent up to now is 961.2 secs Computing kpt #: 194 total cpu time spent up to now is 966.4 secs Computing kpt #: 195 total cpu time spent up to now is 971.0 secs Computing kpt #: 196 total cpu time spent up to now is 975.7 secs Computing kpt #: 197 total cpu time spent up to now is 980.2 secs Computing kpt #: 198 total cpu time spent up to now is 984.6 secs Computing kpt #: 199 total cpu time spent up to now is 989.0 secs Computing kpt #: 200 total cpu time spent up to now is 993.5 secs Computing kpt #: 201 total cpu time spent up to now is 997.9 secs Computing kpt #: 202 total cpu time spent up to now is 1002.4 secs Computing kpt #: 203 total cpu time spent up to now is 1007.0 secs Computing kpt #: 204 total cpu time spent up to now is 1011.4 secs Computing kpt #: 205 total cpu time spent up to now is 1015.8 secs Computing kpt #: 206 total cpu time spent up to now is 1020.3 secs Computing kpt #: 207 total cpu time spent up to now is 1024.8 secs Computing kpt #: 208 total cpu time spent up to now is 1029.2 secs Computing kpt #: 209 total cpu time spent up to now is 1033.6 secs Computing kpt #: 210 total cpu time spent up to now is 1038.0 secs Computing kpt #: 211 total cpu time spent up to now is 1042.8 secs Computing kpt #: 212 total cpu time spent up to now is 1047.1 secs Computing kpt #: 213 total cpu time spent up to now is 1051.5 secs Computing kpt #: 214 total cpu time spent up to now is 1056.0 secs Computing kpt #: 215 total cpu time spent up to now is 1060.2 secs Computing kpt #: 216 total cpu time spent up to now is 1064.6 secs Computing kpt #: 217 total cpu time spent up to now is 1069.0 secs Computing kpt #: 218 total cpu time spent up to now is 1073.4 secs Computing kpt #: 219 total cpu time spent up to now is 1077.9 secs Computing kpt #: 220 total cpu time spent up to now is 1082.7 secs Computing kpt #: 221 total cpu time spent up to now is 1087.5 secs Computing kpt #: 222 total cpu time spent up to now is 1093.7 secs Computing kpt #: 223 total cpu time spent up to now is 1099.5 secs Computing kpt #: 224 total cpu time spent up to now is 1104.3 secs Computing kpt #: 225 total cpu time spent up to now is 1108.8 secs Computing kpt #: 226 total cpu time spent up to now is 1113.3 secs Computing kpt #: 227 total cpu time spent up to now is 1118.0 secs Computing kpt #: 228 total cpu time spent up to now is 1122.5 secs Computing kpt #: 229 total cpu time spent up to now is 1127.2 secs Computing kpt #: 230 total cpu time spent up to now is 1131.8 secs Computing kpt #: 231 total cpu time spent up to now is 1136.6 secs Computing kpt #: 232 total cpu time spent up to now is 1141.7 secs Computing kpt #: 233 total cpu time spent up to now is 1146.2 secs Computing kpt #: 234 total cpu time spent up to now is 1150.9 secs Computing kpt #: 235 total cpu time spent up to now is 1155.5 secs Computing kpt #: 236 total cpu time spent up to now is 1160.0 secs Computing kpt #: 237 total cpu time spent up to now is 1164.4 secs Computing kpt #: 238 total cpu time spent up to now is 1168.9 secs Computing kpt #: 239 total cpu time spent up to now is 1173.3 secs Computing kpt #: 240 total cpu time spent up to now is 1177.5 secs Computing kpt #: 241 total cpu time spent up to now is 1181.9 secs Computing kpt #: 242 total cpu time spent up to now is 1186.1 secs Computing kpt #: 243 total cpu time spent up to now is 1190.5 secs Computing kpt #: 244 total cpu time spent up to now is 1194.9 secs Computing kpt #: 245 total cpu time spent up to now is 1199.6 secs Computing kpt #: 246 total cpu time spent up to now is 1204.2 secs Computing kpt #: 247 total cpu time spent up to now is 1208.9 secs Computing kpt #: 248 total cpu time spent up to now is 1213.6 secs Computing kpt #: 249 total cpu time spent up to now is 1219.6 secs Computing kpt #: 250 total cpu time spent up to now is 1224.5 secs Computing kpt #: 251 total cpu time spent up to now is 1229.4 secs Computing kpt #: 252 total cpu time spent up to now is 1234.4 secs Computing kpt #: 253 total cpu time spent up to now is 1239.1 secs Computing kpt #: 254 total cpu time spent up to now is 1244.1 secs Computing kpt #: 255 total cpu time spent up to now is 1249.0 secs Computing kpt #: 256 total cpu time spent up to now is 1254.0 secs Computing kpt #: 257 total cpu time spent up to now is 1259.2 secs Computing kpt #: 258 total cpu time spent up to now is 1263.9 secs Computing kpt #: 259 total cpu time spent up to now is 1268.9 secs Computing kpt #: 260 total cpu time spent up to now is 1273.7 secs Computing kpt #: 261 total cpu time spent up to now is 1279.0 secs Computing kpt #: 262 total cpu time spent up to now is 1283.8 secs Computing kpt #: 263 total cpu time spent up to now is 1288.6 secs Computing kpt #: 264 total cpu time spent up to now is 1293.1 secs Computing kpt #: 265 total cpu time spent up to now is 1298.0 secs Computing kpt #: 266 total cpu time spent up to now is 1302.6 secs Computing kpt #: 267 total cpu time spent up to now is 1307.2 secs Computing kpt #: 268 total cpu time spent up to now is 1311.6 secs Computing kpt #: 269 total cpu time spent up to now is 1316.1 secs Computing kpt #: 270 total cpu time spent up to now is 1320.7 secs Computing kpt #: 271 total cpu time spent up to now is 1325.3 secs Computing kpt #: 272 total cpu time spent up to now is 1330.0 secs Computing kpt #: 273 total cpu time spent up to now is 1334.6 secs Computing kpt #: 274 total cpu time spent up to now is 1339.7 secs Computing kpt #: 275 total cpu time spent up to now is 1345.0 secs Computing kpt #: 276 total cpu time spent up to now is 1350.1 secs Computing kpt #: 277 total cpu time spent up to now is 1354.8 secs Computing kpt #: 278 total cpu time spent up to now is 1359.1 secs Computing kpt #: 279 total cpu time spent up to now is 1365.5 secs Computing kpt #: 280 total cpu time spent up to now is 1370.0 secs ethr = 1.61E-11, avg # of iterations = 31.6 total cpu time spent up to now is 1370.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5863 PWs) bands (ev): -8.3937 -8.3937 -6.3026 -6.3026 -6.2912 -6.2912 -6.2906 -6.2906 -3.7595 -3.7595 1.1716 1.1716 1.7359 1.7359 1.8005 1.8005 1.9130 1.9130 1.9335 1.9335 2.6230 2.6230 3.1419 3.1419 3.1817 3.1817 3.2048 3.2048 3.6440 3.6440 3.7150 3.7150 4.5186 4.5186 4.5469 4.5469 4.5786 4.5786 4.5850 4.5850 4.7402 4.7402 4.7767 4.7767 4.8100 4.8100 4.8680 4.8680 5.1838 5.1838 5.3566 5.3566 5.4611 5.4611 5.6219 5.6219 6.9567 6.9567 7.2451 7.2451 7.4114 7.4114 7.4474 7.4474 8.4542 8.4542 9.5046 9.5046 9.6211 9.6211 10.1660 10.1660 11.0989 11.0989 k = 0.0000 0.0000 0.0208 ( 5879 PWs) bands (ev): -8.3931 -8.3931 -6.3043 -6.3024 -6.2934 -6.2918 -6.2903 -6.2897 -3.7585 -3.7585 1.1715 1.1719 1.7258 1.7275 1.7961 1.8036 1.8881 1.9194 1.9438 1.9630 2.6225 2.6259 3.1396 3.1434 3.1803 3.1821 3.2034 3.2060 3.6411 3.6441 3.7130 3.7139 4.5114 4.5242 4.5300 4.5578 4.5783 4.5834 4.5852 4.5873 4.7403 4.7423 4.7740 4.7781 4.8027 4.8222 4.8675 4.8687 5.1816 5.1871 5.3514 5.3601 5.4524 5.4673 5.6179 5.6305 6.9416 6.9450 7.2475 7.2504 7.4152 7.4154 7.4432 7.4469 8.4573 8.4598 9.5047 9.5053 9.6196 9.6228 10.1697 10.1721 11.0977 11.1024 k = 0.0000 0.0000 0.0417 ( 5888 PWs) bands (ev): -8.3913 -8.3912 -6.3075 -6.3041 -6.2961 -6.2937 -6.2905 -6.2888 -3.7555 -3.7554 1.1715 1.1724 1.7023 1.7075 1.7762 1.8048 1.8767 1.9279 1.9769 1.9989 2.6247 2.6312 3.1363 3.1439 3.1781 3.1810 3.2020 3.2067 3.6353 3.6416 3.7083 3.7097 4.5019 4.5142 4.5279 4.5602 4.5795 4.5850 4.5860 4.6021 4.7425 4.7464 4.7707 4.7795 4.8013 4.8379 4.8675 4.8697 5.1807 5.1918 5.3445 5.3616 5.4420 5.4701 5.6194 5.6432 6.9043 6.9096 7.2554 7.2573 7.4219 7.4230 7.4413 7.4450 8.4692 8.4738 9.5056 9.5069 9.6186 9.6248 10.1829 10.1874 11.0987 11.1081 k = 0.0000 0.0000 0.0625 ( 5892 PWs) bands (ev): -8.3882 -8.3882 -6.3125 -6.3083 -6.2991 -6.2965 -6.2909 -6.2883 -3.7505 -3.7504 1.1716 1.1729 1.6692 1.6874 1.7434 1.7925 1.8856 1.9510 2.0116 2.0372 2.6293 2.6390 3.1318 3.1430 3.1755 3.1786 3.2013 3.2070 3.6263 3.6368 3.7012 3.7025 4.4870 4.5050 4.5287 4.5600 4.5808 4.5863 4.5873 4.6215 4.7446 4.7518 4.7703 4.7812 4.8044 4.8549 4.8696 4.8708 5.1812 5.1978 5.3362 5.3613 5.4305 5.4695 5.6268 5.6591 6.8521 6.8579 7.2586 7.2620 7.4115 7.4177 7.4578 7.4615 8.4898 8.4963 9.5071 9.5093 9.6182 9.6270 10.2049 10.2112 11.1024 11.1161 k = 0.0000 0.0000 0.0833 ( 5884 PWs) bands (ev): -8.3839 -8.3838 -6.3192 -6.3148 -6.3025 -6.3001 -6.2913 -6.2881 -3.7435 -3.7434 1.1717 1.1733 1.6324 1.6672 1.7052 1.7727 1.9061 1.9803 2.0470 2.0764 2.6364 2.6488 3.1256 3.1398 3.1728 3.1755 3.2015 3.2071 3.6139 3.6296 3.6924 3.6928 4.4702 4.4999 4.5263 4.5601 4.5816 4.5883 4.5895 4.6416 4.7436 4.7579 4.7772 4.7834 4.8106 4.8630 4.8722 4.8835 5.1827 5.2050 5.3269 5.3596 5.4186 5.4659 5.6398 5.6779 6.7903 6.7959 7.2508 7.2627 7.3941 7.4008 7.4828 7.4924 8.5191 8.5269 9.5093 9.5124 9.6189 9.6296 10.2346 10.2423 11.1092 11.1267 k = 0.0000 0.0000 0.1042 ( 5878 PWs) bands (ev): -8.3784 -8.3783 -6.3278 -6.3233 -6.3066 -6.3044 -6.2918 -6.2880 -3.7348 -3.7347 1.1717 1.1735 1.5934 1.6451 1.6675 1.7520 1.9307 2.0119 2.0830 2.1158 2.6457 2.6607 3.1172 3.1329 3.1702 3.1731 3.2022 3.2071 3.5981 3.6201 3.6812 3.6826 4.4541 4.4971 4.5216 4.5610 4.5819 4.5908 4.5924 4.6612 4.7405 4.7643 4.7858 4.7900 4.8197 4.8646 4.8739 4.9067 5.1853 5.2132 5.3168 5.3566 5.4068 5.4600 5.6575 5.6993 6.7223 6.7273 7.2326 7.2549 7.3754 7.3799 7.5116 7.5265 8.5568 8.5654 9.5119 9.5158 9.6209 9.6328 10.2705 10.2789 11.1194 11.1404 k = 0.0000 0.0000 0.1250 ( 5878 PWs) bands (ev): -8.3717 -8.3716 -6.3381 -6.3337 -6.3115 -6.3094 -6.2924 -6.2881 -3.7244 -3.7242 1.1714 1.1733 1.5531 1.6115 1.6421 1.7326 1.9566 2.0440 2.1192 2.1553 2.6572 2.6744 3.1062 3.1219 3.1680 3.1722 3.2034 3.2071 3.5794 3.6083 3.6682 3.6719 4.4396 4.4961 4.5156 4.5622 4.5818 4.5937 4.5960 4.6795 4.7375 4.7709 4.7882 4.8055 4.8325 4.8657 4.8762 4.9332 5.1886 5.2223 5.3063 5.3527 5.3956 5.4527 5.6793 5.7230 6.6501 6.6544 7.2038 7.2364 7.3578 7.3592 7.5407 7.5605 8.6023 8.6114 9.5147 9.5192 9.6249 9.6368 10.3107 10.3196 11.1335 11.1578 k = 0.0000 0.0000 0.1458 ( 5886 PWs) bands (ev): -8.3638 -8.3638 -6.3501 -6.3457 -6.3171 -6.3151 -6.2930 -6.2884 -3.7125 -3.7122 1.1707 1.1726 1.5120 1.5692 1.6269 1.7151 1.9827 2.0757 2.1558 2.1948 2.6705 2.6895 3.0925 3.1071 3.1663 3.1725 3.2047 3.2073 3.5585 3.5943 3.6546 3.6608 4.4269 4.4969 4.5094 4.5635 4.5812 4.5969 4.6000 4.6957 4.7358 4.7774 4.7901 4.8195 4.8511 4.8672 4.8794 4.9619 5.1924 5.2319 5.2958 5.3483 5.3855 5.4448 5.7046 5.7490 6.5752 6.5788 7.1649 7.2058 7.3413 7.3419 7.5682 7.5923 8.6550 8.6642 9.5177 9.5220 9.6312 9.6419 10.3536 10.3626 11.1522 11.1795 k = 0.0000 0.0000 0.1666 ( 5884 PWs) bands (ev): -8.3548 -8.3548 -6.3635 -6.3592 -6.3234 -6.3215 -6.2938 -6.2889 -3.6992 -3.6988 1.1695 1.1713 1.4702 1.5250 1.6155 1.6998 2.0087 2.1064 2.1926 2.2342 2.6856 2.7060 3.0761 3.0889 3.1650 3.1737 3.2063 3.2077 3.5364 3.5785 3.6408 3.6494 4.4162 4.4994 4.5035 4.5651 4.5804 4.6003 4.6046 4.7085 4.7369 4.7836 4.7915 4.8298 4.8694 4.8753 4.8852 4.9928 5.1962 5.2418 5.2856 5.3438 5.3771 5.4372 5.7330 5.7771 6.4986 6.5015 7.1175 7.1638 7.3267 7.3276 7.5931 7.6210 8.7137 8.7230 9.5206 9.5239 9.6401 9.6483 10.3975 10.4065 11.1759 11.2059 k = 0.0000 0.0000 0.1875 ( 5882 PWs) bands (ev): -8.3448 -8.3447 -6.3782 -6.3739 -6.3305 -6.3285 -6.2948 -6.2896 -3.6847 -3.6842 1.1678 1.1694 1.4281 1.4801 1.6067 1.6863 2.0342 2.1357 2.2299 2.2735 2.7020 2.7236 3.0572 3.0678 3.1640 3.1754 3.2078 3.2083 3.5141 3.5615 3.6272 3.6376 4.4076 4.4983 4.5034 4.5668 4.5794 4.6039 4.6096 4.7158 4.7431 4.7876 4.7943 4.8368 4.8725 4.8879 4.9094 5.0255 5.1995 5.2514 5.2765 5.3395 5.3708 5.4305 5.7642 5.8074 6.4211 6.4235 7.0632 7.1127 7.3142 7.3142 7.6149 7.6459 8.7771 8.7865 9.5230 9.5248 9.6515 9.6561 10.4414 10.4500 11.2049 11.2376 k = 0.0000 0.0000 0.2083 ( 5892 PWs) bands (ev): -8.3337 -8.3336 -6.3940 -6.3897 -6.3382 -6.3362 -6.2960 -6.2905 -3.6692 -3.6686 1.1657 1.1671 1.3858 1.4351 1.5998 1.6743 2.0594 2.1633 2.2677 2.3127 2.7197 2.7420 3.0358 3.0439 3.1633 3.1772 3.2090 3.2095 3.4926 3.5441 3.6138 3.6257 4.4010 4.4940 4.5087 4.5688 4.5781 4.6074 4.6151 4.7185 4.7538 4.7870 4.8006 4.8409 4.8766 4.8957 4.9439 5.0598 5.2016 5.2602 5.2689 5.3356 5.3668 5.4254 5.7979 5.8397 6.3434 6.3453 7.0033 7.0548 7.3009 7.3026 7.6333 7.6669 8.8438 8.8535 9.5244 9.5249 9.6653 9.6654 10.4842 10.4923 11.2394 11.2746 k = 0.0000 0.0000 0.2291 ( 5892 PWs) bands (ev): -8.3215 -8.3215 -6.4108 -6.4064 -6.3465 -6.3444 -6.2975 -6.2917 -3.6528 -3.6521 1.1632 1.1644 1.3435 1.3902 1.5940 1.6632 2.0843 2.1890 2.3060 2.3518 2.7383 2.7610 3.0125 3.0177 3.1627 3.1792 3.2098 3.2112 3.4728 3.5270 3.6007 3.6135 4.3963 4.4908 4.5152 4.5710 4.5767 4.6108 4.6210 4.7195 4.7663 4.7841 4.8082 4.8429 4.8817 4.9042 4.9819 5.0957 5.2021 5.2635 5.2677 5.3324 5.3657 5.4229 5.8340 5.8740 6.2662 6.2676 6.9393 6.9919 7.2874 7.2909 7.6484 7.6842 8.9121 8.9225 9.5231 9.5261 9.6760 9.6813 10.5257 10.5331 11.2793 11.3169 k = 0.0000 0.0000 0.2500 ( 5900 PWs) bands (ev): -8.3085 -8.3084 -6.4282 -6.4238 -6.3553 -6.3532 -6.2993 -6.2932 -3.6357 -3.6349 1.1604 1.1617 1.3015 1.3456 1.5887 1.6523 2.1090 2.2131 2.3447 2.3908 2.7575 2.7804 2.9874 2.9893 3.1621 3.1811 3.2108 3.2129 3.4555 3.5111 3.5878 3.6013 4.3934 4.4887 4.5226 4.5735 4.5751 4.6139 4.6272 4.7202 4.7788 4.7797 4.8163 4.8436 4.8878 4.9133 5.0225 5.1329 5.2009 5.2603 5.2736 5.3298 5.3675 5.4233 5.8723 5.9102 6.1901 6.1908 6.8722 6.9253 7.2735 7.2788 7.6604 7.6978 8.9805 8.9921 9.5208 9.5265 9.6880 9.6990 10.5660 10.5725 11.3241 11.3641 k = 0.0000 0.0000 0.2708 ( 5898 PWs) bands (ev): -8.2945 -8.2945 -6.4462 -6.4417 -6.3646 -6.3625 -6.3014 -6.2950 -3.6182 -3.6172 1.1575 1.1591 1.2597 1.3015 1.5830 1.6411 2.1340 2.2359 2.3838 2.4296 2.7771 2.8000 2.9594 2.9611 3.1613 3.1829 3.2120 3.2148 3.4412 3.4967 3.5751 3.5890 4.3922 4.4877 4.5307 4.5733 4.5762 4.6166 4.6338 4.7210 4.7741 4.7905 4.8249 4.8442 4.8948 4.9224 5.0653 5.1710 5.1986 5.2590 5.2784 5.3276 5.3721 5.4273 5.9124 5.9481 6.1154 6.1156 6.8030 6.8561 7.2589 7.2660 7.6694 7.7081 9.0473 9.0608 9.5178 9.5262 9.7011 9.7181 10.6053 10.6109 11.3732 11.4154 k = 0.0000 0.0000 0.2916 ( 5892 PWs) bands (ev): -8.2797 -8.2797 -6.4645 -6.4600 -6.3743 -6.3721 -6.3039 -6.2973 -3.6004 -3.5992 1.1548 1.1570 1.2185 1.2579 1.5761 1.6288 2.1592 2.2576 2.4230 2.4682 2.7967 2.8192 2.9286 2.9344 3.1604 3.1846 3.2132 3.2167 3.4301 3.4844 3.5626 3.5768 4.3926 4.4876 4.5392 4.5715 4.5792 4.6190 4.6406 4.7220 4.7678 4.7997 4.8339 4.8464 4.9026 4.9313 5.1099 5.1963 5.2093 5.2593 5.2831 5.3257 5.3791 5.4346 5.9537 5.9873 6.0426 6.0431 6.7326 6.7854 7.2436 7.2524 7.6756 7.7153 9.1113 9.1271 9.5141 9.5252 9.7152 9.7380 10.6443 10.6489 11.4257 11.4696 k = 0.0000 0.0000 0.3125 ( 5898 PWs) bands (ev): -8.2642 -8.2642 -6.4830 -6.4784 -6.3844 -6.3822 -6.3069 -6.3000 -3.5824 -3.5811 1.1521 1.1553 1.1778 1.2151 1.5674 1.6151 2.1848 2.2788 2.4621 2.5063 2.8152 2.8366 2.8988 2.9087 3.1591 3.1858 3.2145 3.2187 3.4223 3.4743 3.5504 3.5647 4.3943 4.4885 4.5477 4.5697 4.5823 4.6208 4.6475 4.7232 4.7608 4.8045 4.8432 4.8521 4.9111 4.9397 5.1555 5.1949 5.2441 5.2612 5.2910 5.3250 5.3881 5.4446 5.9649 5.9711 6.0033 6.0301 6.6620 6.7142 7.2275 7.2378 7.6792 7.7196 9.1711 9.1896 9.5100 9.5235 9.7300 9.7586 10.6836 10.6871 11.4803 11.5254 k = 0.0000 0.0000 0.3333 ( 5890 PWs) bands (ev): -8.2479 -8.2479 -6.5015 -6.4968 -6.3947 -6.3925 -6.3103 -6.3033 -3.5644 -3.5629 1.1376 1.1501 1.1539 1.1735 1.5564 1.5998 2.2104 2.2997 2.5007 2.5439 2.8294 2.8432 2.8799 2.8880 3.1573 3.1868 3.2160 3.2207 3.4177 3.4666 3.5384 3.5529 4.3973 4.4902 4.5552 4.5687 4.5856 4.6221 4.6545 4.7245 4.7537 4.8047 4.8528 4.8617 4.9201 4.9476 5.1887 5.2069 5.2656 5.2660 5.3072 5.3312 5.3982 5.4567 5.8986 5.9041 6.0452 6.0721 6.5922 6.6435 7.2106 7.2224 7.6804 7.7212 9.2257 9.2472 9.5054 9.5215 9.7454 9.7794 10.7238 10.7263 11.5356 11.5812 k = 0.0000 0.0000 0.3541 ( 5886 PWs) bands (ev): -8.2311 -8.2311 -6.5197 -6.5150 -6.4053 -6.4031 -6.3143 -6.3071 -3.5466 -3.5449 1.0986 1.1309 1.1478 1.1553 1.5430 1.5830 2.2356 2.3202 2.5383 2.5807 2.8233 2.8293 2.8831 2.8886 3.1549 3.1873 3.2174 3.2226 3.4160 3.4611 3.5268 3.5412 4.4015 4.4926 4.5588 4.5714 4.5890 4.6229 4.6610 4.7257 4.7469 4.8019 4.8626 4.8738 4.9295 4.9547 5.1912 5.2431 5.2738 5.2813 5.3146 5.3619 5.4090 5.4703 5.8321 5.8401 6.0908 6.1157 6.5239 6.5742 7.1929 7.2061 7.6791 7.7202 9.2742 9.2986 9.5005 9.5191 9.7614 9.8001 10.7654 10.7668 11.5899 11.6351 k = 0.0000 0.0000 0.3750 ( 5896 PWs) bands (ev): -8.2138 -8.2138 -6.5376 -6.5329 -6.4161 -6.4138 -6.3189 -6.3115 -3.5290 -3.5272 1.0604 1.0911 1.1457 1.1554 1.5272 1.5650 2.2592 2.3399 2.5741 2.6166 2.7973 2.8149 2.8955 2.9061 3.1519 3.1874 3.2189 3.2245 3.4168 3.4577 3.5155 3.5299 4.4064 4.4954 4.5578 4.5780 4.5925 4.6231 4.6667 4.7265 4.7409 4.7977 4.8725 4.8868 4.9389 4.9612 5.1923 5.2592 5.2781 5.3161 5.3216 5.4046 5.4199 5.4850 5.7684 5.7804 6.1373 6.1601 6.4581 6.5072 7.1745 7.1890 7.6754 7.7168 9.3159 9.3427 9.4955 9.5168 9.7779 9.8206 10.8086 10.8089 11.6416 11.6854 k = 0.0000 0.0000 0.3958 ( 5900 PWs) bands (ev): -8.1960 -8.1960 -6.5549 -6.5502 -6.4269 -6.4247 -6.3241 -6.3165 -3.5118 -3.5099 1.0231 1.0521 1.1434 1.1562 1.5096 1.5465 2.2798 2.3575 2.6066 2.6511 2.7756 2.7994 2.9137 2.9248 3.1480 3.1870 3.2205 3.2263 3.4198 3.4561 3.5046 3.5190 4.4120 4.4985 4.5553 4.5857 4.5960 4.6228 4.6709 4.7267 4.7366 4.7931 4.8825 4.8998 4.9482 4.9669 5.1938 5.2671 5.2814 5.3176 5.3717 5.4314 5.4487 5.5023 5.7086 5.7261 6.1839 6.2051 6.3958 6.4438 7.1553 7.1710 7.6694 7.7109 9.3501 9.3783 9.4906 9.5150 9.7950 9.8406 10.8528 10.8535 11.6893 11.7305 k = 0.0000 0.0000 0.4166 ( 5900 PWs) bands (ev): -8.1780 -8.1779 -6.5716 -6.5667 -6.4378 -6.4355 -6.3300 -6.3222 -3.4951 -3.4930 0.9871 1.0143 1.1404 1.1570 1.4911 1.5285 2.2956 2.3711 2.6335 2.6839 2.7635 2.7892 2.9333 2.9437 3.1433 3.1860 3.2221 3.2280 3.4246 3.4561 3.4942 3.5084 4.4182 4.5018 4.5523 4.5934 4.5994 4.6220 4.6729 4.7261 4.7347 4.7889 4.8925 4.9123 4.9571 4.9719 5.1950 5.2742 5.2844 5.3196 5.4150 5.4519 5.4843 5.5291 5.6544 5.6788 6.2295 6.2503 6.3378 6.3856 7.1357 7.1524 7.6611 7.7027 9.3763 9.4044 9.4860 9.5142 9.8128 9.8600 10.8983 10.9002 11.7315 11.7695 k = 0.0000 0.0000 0.4374 ( 5898 PWs) bands (ev): -8.1597 -8.1596 -6.5874 -6.5825 -6.4486 -6.4464 -6.3366 -6.3287 -3.4789 -3.4767 0.9522 0.9777 1.1360 1.1570 1.4729 1.5120 2.3046 2.3782 2.6524 2.7147 2.7660 2.7873 2.9533 2.9625 3.1376 3.1845 3.2237 3.2295 3.4306 3.4573 3.4845 3.4984 4.4245 4.5050 4.5490 4.6007 4.6026 4.6208 4.6724 4.7244 4.7357 4.7855 4.9021 4.9239 4.9652 4.9761 5.1946 5.2816 5.2872 5.3215 5.4312 5.4998 5.5033 5.5670 5.6133 5.6401 6.2686 6.2844 6.2959 6.3384 7.1156 7.1332 7.6503 7.6920 9.3940 9.4202 9.4822 9.5147 9.8315 9.8789 10.9452 10.9483 11.7676 11.8019 k = 0.0000 0.0000 0.4583 ( 5886 PWs) bands (ev): -8.1413 -8.1412 -6.6022 -6.5973 -6.4594 -6.4572 -6.3439 -6.3359 -3.4634 -3.4611 0.9185 0.9424 1.1298 1.1552 1.4566 1.4982 2.3054 2.3765 2.6656 2.7432 2.7827 2.7952 2.9733 2.9811 3.1312 3.1824 3.2254 3.2309 3.4376 3.4589 3.4757 3.4888 4.4308 4.5079 4.5459 4.6053 4.6076 4.6196 4.6699 4.7218 4.7390 4.7830 4.9112 4.9343 4.9723 4.9796 5.1905 5.2891 5.2896 5.3216 5.4367 5.5130 5.5568 5.5586 5.6136 5.6375 6.2379 6.2641 6.3400 6.3402 7.0952 7.1137 7.6369 7.6787 9.4031 9.4265 9.4791 9.5157 9.8510 9.8971 10.9933 10.9977 11.7974 11.8281 k = 0.0000 0.0000 0.4791 ( 5886 PWs) bands (ev): -8.1229 -8.1228 -6.6158 -6.6109 -6.4700 -6.4678 -6.3519 -6.3438 -3.4485 -3.4461 0.8863 0.9086 1.1209 1.1504 1.4439 1.4882 2.2979 2.3653 2.6791 2.7706 2.8080 2.8118 2.9929 2.9994 3.1239 3.1798 3.2270 3.2322 3.4449 3.4588 3.4700 3.4799 4.4366 4.5102 4.5430 4.6066 4.6140 4.6191 4.6661 4.7185 4.7439 4.7812 4.9196 4.9435 4.9781 4.9825 5.1808 5.2873 5.2986 5.3195 5.4399 5.5152 5.5391 5.5823 5.6323 5.6936 6.1976 6.2273 6.3792 6.3839 7.0747 7.0939 7.6209 7.6629 9.4045 9.4252 9.4759 9.5153 9.8712 9.9148 11.0421 11.0481 11.8212 11.8488 k = 0.0000 0.0000 0.4999 ( 5882 PWs) bands (ev): -8.1047 -8.1046 -6.6282 -6.6233 -6.4803 -6.4782 -6.3607 -6.3526 -3.4344 -3.4320 0.8554 0.8762 1.1090 1.1417 1.4363 1.4829 2.2829 2.3456 2.6961 2.7987 2.8337 2.8368 3.0118 3.0174 3.1165 3.1769 3.2286 3.2335 3.4521 3.4535 3.4704 3.4720 4.4416 4.5118 4.5408 4.6058 4.6199 4.6200 4.6619 4.7148 4.7494 4.7798 4.9268 4.9514 4.9824 4.9846 5.1647 5.2756 5.3093 5.3192 5.4429 5.5112 5.5364 5.5759 5.6952 5.7545 6.1643 6.1927 6.4216 6.4264 7.0544 7.0741 7.6021 7.6443 9.3998 9.4184 9.4708 9.5117 9.8918 9.9320 11.0914 11.0990 11.8400 11.8652 k = 0.0000 0.0000 0.5208 ( 5888 PWs) bands (ev): -8.0867 -8.0866 -6.6393 -6.6343 -6.4904 -6.4884 -6.3703 -6.3621 -3.4211 -3.4186 0.8260 0.8453 1.0940 1.1286 1.4348 1.4827 2.2622 2.3198 2.7160 2.8282 2.8578 2.8666 3.0296 3.0351 3.1097 3.1742 3.2302 3.2346 3.4462 3.4559 3.4679 3.4736 4.4454 4.5124 4.5395 4.6030 4.6218 4.6253 4.6577 4.7111 4.7548 4.7782 4.9325 4.9579 4.9853 4.9862 5.1432 5.2526 5.3219 5.3233 5.4452 5.5094 5.5433 5.5757 5.7631 5.8182 6.1380 6.1643 6.4631 6.4672 7.0347 7.0546 7.5803 7.6227 9.3908 9.4074 9.4626 9.5039 9.9124 9.9487 11.1410 11.1504 11.8546 11.8786 k = 0.0000 0.0000 0.5416 ( 5900 PWs) bands (ev): -8.0690 -8.0689 -6.6489 -6.6439 -6.5002 -6.4982 -6.3806 -6.3724 -3.4085 -3.4060 0.7982 0.8161 1.0762 1.1112 1.4395 1.4876 2.2374 2.2903 2.7371 2.8574 2.8827 2.8960 3.0454 3.0523 3.1054 3.1722 3.2317 3.2357 3.4389 3.4519 3.4720 3.4775 4.4476 4.5118 4.5396 4.5990 4.6242 4.6298 4.6539 4.7077 4.7596 4.7760 4.9361 4.9628 4.9869 4.9873 5.1188 5.2238 5.3304 5.3363 5.4447 5.5067 5.5601 5.5850 5.8332 5.8839 6.1185 6.1425 6.5027 6.5057 7.0158 7.0359 7.5555 7.5980 9.3783 9.3930 9.4504 9.4917 9.9328 9.9648 11.1906 11.2019 11.8663 11.8898 k = 0.0000 0.0000 0.5624 ( 5894 PWs) bands (ev): -8.0519 -8.0518 -6.6570 -6.6519 -6.5096 -6.5076 -6.3917 -6.3835 -3.3967 -3.3942 0.7719 0.7885 1.0561 1.0903 1.4499 1.4971 2.2103 2.2588 2.7574 2.8840 2.9067 2.9239 3.0584 3.0692 3.1066 3.1719 3.2333 3.2368 3.4319 3.4455 3.4787 3.4815 4.4480 4.5099 4.5411 4.5942 4.6265 4.6332 4.6512 4.7046 4.7632 4.7730 4.9376 4.9661 4.9876 4.9882 5.0945 5.1944 5.3389 5.3519 5.4399 5.5005 5.5870 5.6042 5.9046 5.9509 6.1054 6.1271 6.5398 6.5417 6.9984 7.0182 7.5273 7.5700 9.3629 9.3754 9.4342 9.4754 9.9527 9.9803 11.2403 11.2536 11.8760 11.9000 k = 0.0000 0.0000 0.5833 ( 5890 PWs) bands (ev): -8.0354 -8.0352 -6.6634 -6.6583 -6.5185 -6.5167 -6.4035 -6.3954 -3.3858 -3.3833 0.7473 0.7625 1.0346 1.0671 1.4650 1.5108 2.1820 2.2267 2.7752 2.9068 2.9259 2.9494 3.0700 3.0854 3.1152 3.1743 3.2348 3.2379 3.4254 3.4390 3.4853 3.4854 4.4468 4.5065 4.5441 4.5889 4.6285 4.6346 4.6502 4.7019 4.7648 4.7687 4.9367 4.9674 4.9877 4.9892 5.0727 5.1674 5.3478 5.3677 5.4314 5.4920 5.6217 5.6323 5.9764 6.0184 6.0980 6.1178 6.5739 6.5744 6.9829 7.0020 7.4957 7.5385 9.3449 9.3548 9.4144 9.4556 9.9718 9.9952 11.2902 11.3055 11.8842 11.9095 k = 0.0000 0.0000 0.6041 ( 5890 PWs) bands (ev): -8.0196 -8.0194 -6.6682 -6.6630 -6.5270 -6.5252 -6.4160 -6.4079 -3.3757 -3.3733 0.7244 0.7383 1.0123 1.0427 1.4838 1.5277 2.1538 2.1950 2.7894 2.9249 2.9364 2.9714 3.0855 3.1008 3.1298 3.1807 3.2364 3.2390 3.4193 3.4328 3.4888 3.4917 4.4442 4.5015 4.5483 4.5833 4.6300 4.6335 4.6513 4.6993 4.7631 4.7636 4.9341 4.9666 4.9876 4.9907 5.0552 5.1443 5.3559 5.3812 5.4226 5.4831 5.6624 5.6678 6.0463 6.0830 6.0970 6.1161 6.6035 6.6045 6.9700 6.9880 7.4607 7.5033 9.3243 9.3314 9.3916 9.4329 9.9899 10.0094 11.3405 11.3578 11.8887 11.9183 k = 0.0000 0.0000 0.6249 ( 5890 PWs) bands (ev): -8.0047 -8.0045 -6.6713 -6.6660 -6.5349 -6.5333 -6.4291 -6.4211 -3.3664 -3.3641 0.7033 0.7158 0.9900 1.0179 1.5054 1.5470 2.1263 2.1646 2.7989 2.9279 2.9478 2.9893 3.1058 3.1153 3.1489 3.1919 3.2379 3.2403 3.4138 3.4270 3.4919 3.4973 4.4405 4.4949 4.5534 4.5774 4.6307 4.6310 4.6537 4.6969 4.7567 4.7591 4.9314 4.9643 4.9876 4.9926 5.0425 5.1255 5.3614 5.3843 5.4224 5.4759 5.7081 5.7092 6.0874 6.1072 6.1271 6.1577 6.6286 6.6315 6.9604 6.9765 7.4221 7.4644 9.3013 9.3056 9.3668 9.4080 10.0068 10.0229 11.3915 11.4107 11.8291 11.8612 k = 0.0000 0.0000 0.6458 ( 5884 PWs) bands (ev): -7.9907 -7.9905 -6.6726 -6.6673 -6.5423 -6.5408 -6.4428 -6.4349 -3.3579 -3.3557 0.6838 0.6952 0.9683 0.9936 1.5288 1.5680 2.1005 2.1360 2.8036 2.9166 2.9625 3.0030 3.1268 3.1290 3.1730 3.2074 3.2395 3.2420 3.4089 3.4217 3.4944 3.5021 4.4362 4.4866 4.5590 4.5716 4.6268 4.6315 4.6563 4.6943 4.7499 4.7516 4.9299 4.9616 4.9876 4.9947 5.0341 5.1105 5.3626 5.3741 5.4344 5.4727 5.7554 5.7579 6.0935 6.1106 6.1929 6.2211 6.6498 6.6548 6.9544 6.9681 7.3802 7.4217 9.2762 9.2778 9.3406 9.3814 10.0226 10.0356 11.4433 11.4646 11.7491 11.7782 k = 0.0000 0.0000 0.6666 ( 5886 PWs) bands (ev): -7.9777 -7.9776 -6.6723 -6.6669 -6.5491 -6.5477 -6.4569 -6.4492 -3.3503 -3.3482 0.6662 0.6764 0.9476 0.9702 1.5531 1.5898 2.0769 2.1098 2.8032 2.8990 2.9762 3.0132 3.1418 3.1447 3.2016 3.2250 3.2413 3.2454 3.4045 3.4169 3.4964 3.5061 4.4313 4.4768 4.5649 4.5660 4.6217 4.6313 4.6588 4.6915 4.7418 4.7433 4.9306 4.9594 4.9874 4.9968 5.0289 5.0985 5.3587 5.3592 5.4504 5.4746 5.8057 5.8108 6.0986 6.1151 6.2579 6.2819 6.6674 6.6750 6.9523 6.9627 7.3353 7.3756 9.2489 9.2494 9.3140 9.3537 10.0372 10.0475 11.4962 11.5196 11.6722 11.6990 k = 0.0000 0.0000 0.6874 ( 5872 PWs) bands (ev): -7.9659 -7.9658 -6.6702 -6.6647 -6.5553 -6.5540 -6.4715 -6.4639 -3.3434 -3.3415 0.6504 0.6594 0.9283 0.9483 1.5775 1.6114 2.0560 2.0863 2.7985 2.8781 2.9884 3.0208 3.1538 3.1593 3.2307 3.2371 3.2449 3.2566 3.4007 3.4126 3.4977 3.5091 4.4263 4.4661 4.5608 4.5710 4.6156 4.6307 4.6609 4.6884 4.7316 4.7374 4.9337 4.9583 4.9871 4.9987 5.0261 5.0887 5.3437 5.3504 5.4667 5.4810 5.8590 5.8659 6.1045 6.1212 6.3181 6.3377 6.6827 6.6929 6.9537 6.9603 7.2880 7.3262 9.2197 9.2219 9.2875 9.3254 10.0504 10.0585 11.5492 11.5758 11.6007 11.6259 k = 0.0000 0.0000 0.7082 ( 5864 PWs) bands (ev): -7.9553 -7.9552 -6.6666 -6.6610 -6.5608 -6.5596 -6.4863 -6.4788 -3.3374 -3.3356 0.6365 0.6443 0.9108 0.9282 1.6011 1.6321 2.0384 2.0661 2.7903 2.8555 2.9992 3.0266 3.1648 3.1713 3.2411 3.2420 3.2662 3.2767 3.3975 3.4087 3.4984 3.5111 4.4213 4.4548 4.5562 4.5769 4.6081 4.6295 4.6625 4.6852 4.7224 4.7325 4.9388 4.9584 4.9864 5.0003 5.0249 5.0805 5.3286 5.3394 5.4824 5.4902 5.9144 5.9219 6.1109 6.1288 6.3711 6.3862 6.6975 6.7099 6.9579 6.9600 7.2391 7.2743 9.1912 9.1944 9.2617 9.2971 10.0623 10.0685 11.5343 11.5525 11.6097 11.6344 k = 0.0000 0.0000 0.7291 ( 5884 PWs) bands (ev): -7.9460 -7.9459 -6.6614 -6.6558 -6.5656 -6.5646 -6.5011 -6.4940 -3.3321 -3.3306 0.6245 0.6311 0.8954 0.9102 1.6233 1.6510 2.0244 2.0491 2.7797 2.8323 3.0085 3.0311 3.1744 3.1811 3.2432 3.2443 3.2945 3.2983 3.3949 3.4054 3.4985 3.5120 4.4164 4.4434 4.5523 4.5823 4.5996 4.6278 4.6635 4.6820 4.7153 4.7282 4.9453 4.9595 4.9855 5.0015 5.0248 5.0733 5.3147 5.3273 5.4969 5.5005 5.9705 5.9767 6.1179 6.1381 6.4150 6.4259 6.7135 6.7273 6.9608 6.9637 7.1903 7.2210 9.1643 9.1681 9.2375 9.2694 10.0728 10.0774 11.4759 11.4933 11.6638 11.6936 k = 0.0000 0.0000 0.7499 ( 5882 PWs) bands (ev): -7.9380 -7.9379 -6.6548 -6.6492 -6.5698 -6.5688 -6.5159 -6.5090 -3.3277 -3.3264 0.6143 0.6198 0.8822 0.8945 1.6433 1.6672 2.0141 2.0355 2.7680 2.8097 3.0165 3.0347 3.1828 3.1889 3.2448 3.2459 3.3188 3.3205 3.3931 3.4028 3.4981 3.5118 4.4119 4.4328 4.5493 4.5856 4.5924 4.6258 4.6642 4.6791 4.7108 4.7247 4.9527 4.9613 4.9843 5.0020 5.0258 5.0669 5.3024 5.3152 5.5098 5.5109 6.0250 6.0271 6.1258 6.1504 6.4484 6.4558 6.7318 6.7457 6.9613 6.9699 7.1436 7.1678 9.1399 9.1437 9.2155 9.2433 10.0818 10.0852 11.4254 11.4404 11.7190 11.7533 k = 0.0000 0.0000 0.7707 ( 5874 PWs) bands (ev): -7.9315 -7.9314 -6.6470 -6.6415 -6.5732 -6.5723 -6.5303 -6.5238 -3.3240 -3.3229 0.6061 0.6105 0.8715 0.8812 1.6605 1.6802 2.0073 2.0251 2.7567 2.7887 3.0232 3.0374 3.1899 3.1951 3.2464 3.2474 3.3371 3.3424 3.3923 3.4010 3.4973 3.5106 4.4079 4.4232 4.5474 4.5792 4.5947 4.6235 4.6646 4.6763 4.7085 4.7217 4.9604 4.9637 4.9830 5.0017 5.0277 5.0611 5.2923 5.3040 5.5204 5.5207 6.0679 6.0733 6.1373 6.1682 6.4717 6.4766 6.7518 6.7640 6.9599 6.9749 7.1024 7.1176 9.1187 9.1221 9.1966 9.2196 10.0893 10.0917 11.3837 11.3959 11.7721 11.8115 k = 0.0000 0.0000 0.7916 ( 5874 PWs) bands (ev): -7.9263 -7.9262 -6.6384 -6.6330 -6.5758 -6.5750 -6.5439 -6.5380 -3.3211 -3.3203 0.5998 0.6031 0.8632 0.8705 1.6745 1.6896 2.0038 2.0175 2.7471 2.7703 3.0287 3.0391 3.1954 3.1995 3.2477 3.2486 3.3521 3.3590 3.3931 3.4001 3.4966 3.5083 4.4047 4.4152 4.5466 4.5707 4.5992 4.6209 4.6651 4.6738 4.7080 4.7189 4.9662 4.9678 4.9818 5.0005 5.0303 5.0556 5.2845 5.2942 5.5286 5.5294 6.0949 6.1044 6.1605 6.1926 6.4865 6.4897 6.7712 6.7803 6.9554 6.9763 7.0702 7.0746 9.1015 9.1043 9.1816 9.1993 10.0953 10.0969 11.3511 11.3605 11.8196 11.8623 k = 0.0000 0.0000 0.8124 ( 5870 PWs) bands (ev): -7.9226 -7.9225 -6.6295 -6.6247 -6.5777 -6.5770 -6.5559 -6.5509 -3.3190 -3.3185 0.5955 0.5977 0.8576 0.8625 1.6852 1.6955 2.0028 2.0121 2.7402 2.7554 3.0331 3.0399 3.1996 3.2023 3.2489 3.2495 3.3633 3.3690 3.3958 3.4003 3.4964 3.5054 4.4025 4.4090 4.5470 4.5631 4.6036 4.6181 4.6658 4.6717 4.7086 4.7163 4.9688 4.9738 4.9815 4.9981 5.0335 5.0505 5.2793 5.2863 5.5349 5.5357 6.1099 6.1165 6.1936 6.2178 6.4952 6.4972 6.7870 6.7922 6.9489 6.9705 7.0456 7.0491 9.0889 9.0908 9.1713 9.1833 10.0996 10.1006 11.3281 11.3344 11.8572 11.8923 k = 0.0000 0.0000 0.8332 ( 5878 PWs) bands (ev): -7.9204 -7.9203 -6.6215 -6.6183 -6.5789 -6.5783 -6.5644 -6.5613 -3.3177 -3.3175 0.5931 0.5942 0.8547 0.8572 1.6927 1.6978 2.0036 2.0083 2.7371 2.7446 3.0364 3.0397 3.2023 3.2037 3.2496 3.2500 3.3700 3.3730 3.3993 3.4011 3.4972 3.5021 4.4015 4.4046 4.5488 4.5568 4.6078 4.6150 4.6668 4.6697 4.7099 4.7139 4.9712 4.9750 4.9849 4.9946 5.0371 5.0457 5.2769 5.2805 5.5389 5.5393 6.1175 6.1206 6.2217 6.2344 6.4997 6.5007 6.7970 6.7990 6.9447 6.9578 7.0336 7.0376 9.0812 9.0822 9.1660 9.1721 10.1023 10.1028 11.3149 11.3181 11.8821 11.8999 k = 0.0000 0.0000 0.8541 ( 5884 PWs) bands (ev): -7.9196 -7.9196 -6.6168 -6.6168 -6.5790 -6.5790 -6.5666 -6.5666 -3.3172 -3.3172 0.5926 0.5926 0.8546 0.8546 1.6969 1.6969 2.0055 2.0055 2.7385 2.7385 3.0386 3.0386 3.2037 3.2037 3.2500 3.2500 3.3731 3.3731 3.4012 3.4012 3.4992 3.4992 4.4022 4.4022 4.5520 4.5520 4.6115 4.6115 4.6681 4.6681 4.7117 4.7117 4.9734 4.9734 4.9901 4.9901 5.0412 5.0412 5.2773 5.2773 5.5404 5.5404 6.1207 6.1207 6.2362 6.2362 6.5014 6.5014 6.8007 6.8007 6.9474 6.9474 7.0326 7.0326 9.0790 9.0790 9.1663 9.1663 10.1034 10.1034 11.3115 11.3115 11.8956 11.8956 k = 0.0000 0.0000 0.8541 ( 5884 PWs) bands (ev): -7.9196 -7.9196 -6.6168 -6.6168 -6.5790 -6.5790 -6.5666 -6.5666 -3.3172 -3.3172 0.5926 0.5926 0.8546 0.8546 1.6969 1.6969 2.0055 2.0055 2.7385 2.7385 3.0386 3.0386 3.2037 3.2037 3.2500 3.2500 3.3731 3.3731 3.4012 3.4012 3.4992 3.4992 4.4022 4.4022 4.5520 4.5520 4.6115 4.6115 4.6681 4.6681 4.7117 4.7117 4.9734 4.9734 4.9901 4.9901 5.0412 5.0412 5.2773 5.2773 5.5404 5.5404 6.1207 6.1207 6.2362 6.2362 6.5014 6.5014 6.8007 6.8007 6.9474 6.9474 7.0326 7.0326 9.0790 9.0790 9.1663 9.1663 10.1034 10.1034 11.3115 11.3115 11.8956 11.8956 k =-0.0119 0.0164 0.8541 ( 5872 PWs) bands (ev): -7.9197 -7.9196 -6.6166 -6.6164 -6.5825 -6.5799 -6.5664 -6.5639 -3.3166 -3.3166 0.5937 0.5942 0.8548 0.8568 1.6968 1.6975 2.0032 2.0072 2.7375 2.7401 3.0336 3.0428 3.2035 3.2037 3.2487 3.2509 3.3680 3.3760 3.3967 3.4015 3.4965 3.5048 4.3999 4.4041 4.5517 4.5523 4.6047 4.6185 4.6677 4.6684 4.7113 4.7121 4.9711 4.9740 4.9865 4.9952 5.0357 5.0470 5.2750 5.2793 5.5347 5.5439 6.1187 6.1231 6.2355 6.2358 6.4988 6.4995 6.7988 6.7991 6.9294 6.9661 7.0121 7.0520 9.0785 9.0853 9.1643 9.1738 10.1025 10.1046 11.3050 11.3084 11.8961 11.9017 k =-0.0237 0.0328 0.8541 ( 5868 PWs) bands (ev): -7.9198 -7.9198 -6.6156 -6.6151 -6.5879 -6.5846 -6.5638 -6.5604 -3.3148 -3.3148 0.5975 0.5985 0.8576 0.8616 1.6972 1.6988 2.0003 2.0083 2.7370 2.7421 3.0279 3.0463 3.2031 3.2034 3.2468 3.2513 3.3600 3.3745 3.3901 3.3994 3.4966 3.5119 4.3973 4.4054 4.5514 4.5525 4.5981 4.6254 4.6674 4.6684 4.7108 4.7125 4.9664 4.9737 4.9850 5.0010 5.0307 5.0528 5.2723 5.2808 5.5270 5.5453 6.1169 6.1257 6.2335 6.2340 6.4918 6.4932 6.7936 6.7941 6.9108 6.9855 6.9910 7.0720 9.0829 9.0967 9.1682 9.1873 10.1020 10.1060 11.2895 11.2961 11.9027 11.9133 k =-0.0356 0.0492 0.8541 ( 5870 PWs) bands (ev): -7.9201 -7.9200 -6.6139 -6.6131 -6.5945 -6.5911 -6.5607 -6.5571 -3.3118 -3.3118 0.6040 0.6055 0.8628 0.8689 1.6982 1.7006 1.9967 2.0088 2.7370 2.7445 3.0213 3.0488 3.2025 3.2029 3.2445 3.2514 3.3481 3.3621 3.3893 3.3974 3.4984 3.5194 4.3946 4.4060 4.5513 4.5524 4.5920 4.6317 4.6674 4.6681 4.7102 4.7129 4.9600 4.9729 4.9847 5.0068 5.0264 5.0587 5.2692 5.2819 5.5174 5.5445 6.1153 6.1284 6.2302 6.2309 6.4802 6.4826 6.7851 6.7858 6.8902 6.9634 7.0119 7.0942 9.0904 9.1102 9.1803 9.2082 10.1016 10.1076 11.2667 11.2759 11.9131 11.9280 k =-0.0474 0.0656 0.8541 ( 5872 PWs) bands (ev): -7.9205 -7.9204 -6.6121 -6.6103 -6.6015 -6.5987 -6.5578 -6.5541 -3.3077 -3.3077 0.6131 0.6150 0.8705 0.8787 1.6996 1.7029 1.9926 2.0088 2.7376 2.7472 3.0140 3.0503 3.2016 3.2020 3.2418 3.2510 3.3323 3.3424 3.3919 3.3968 3.5009 3.5262 4.3918 4.4060 4.5513 4.5520 4.5864 4.6371 4.6672 4.6681 4.7096 4.7133 4.9526 4.9719 4.9848 5.0120 5.0234 5.0649 5.2658 5.2825 5.5064 5.5417 6.1138 6.1311 6.2255 6.2262 6.4641 6.4679 6.7737 6.7745 6.8669 6.9345 7.0405 7.1198 9.0988 9.1217 9.2034 9.2371 10.1013 10.1090 11.2388 11.2498 11.9243 11.9426 k =-0.0593 0.0821 0.8541 ( 5882 PWs) bands (ev): -7.9210 -7.9209 -6.6138 -6.6074 -6.6066 -6.6051 -6.5551 -6.5513 -3.3026 -3.3026 0.6247 0.6272 0.8808 0.8910 1.7014 1.7057 1.9878 2.0081 2.7387 2.7501 3.0057 3.0504 3.2006 3.2007 3.2387 3.2500 3.3135 3.3198 3.3955 3.3975 3.5031 3.5317 4.3893 4.4052 4.5512 4.5516 4.5814 4.6412 4.6659 4.6698 4.7088 4.7138 4.9444 4.9709 4.9852 5.0163 5.0217 5.0716 5.2621 5.2827 5.4941 5.5370 6.1124 6.1336 6.2192 6.2196 6.4439 6.4493 6.7596 6.7607 6.8408 6.9026 7.0735 7.1497 9.1068 9.1298 9.2372 9.2738 10.1005 10.1098 11.2077 11.2200 11.9327 11.9534 k =-0.0711 0.0985 0.8541 ( 5876 PWs) bands (ev): -7.9217 -7.9216 -6.6220 -6.6168 -6.6025 -6.6023 -6.5526 -6.5488 -3.2966 -3.2966 0.6388 0.6418 0.8934 0.9057 1.7036 1.7090 1.9824 2.0069 2.7403 2.7531 2.9964 3.0487 3.1990 3.1993 3.2354 3.2475 3.2927 3.2970 3.3994 3.3996 3.5046 3.5358 4.3871 4.4037 4.5498 4.5521 4.5770 4.6438 4.6640 4.6727 4.7080 4.7143 4.9357 4.9699 4.9859 5.0197 5.0217 5.0791 5.2584 5.2826 5.4810 5.5309 6.1108 6.1358 6.2107 6.2108 6.4198 6.4275 6.7432 6.7450 6.8122 6.8681 7.1109 7.1843 9.1136 9.1353 9.2790 9.3172 10.0990 10.1097 11.1752 11.1884 11.9350 11.9576 k =-0.0830 0.1149 0.8541 ( 5884 PWs) bands (ev): -7.9226 -7.9224 -6.6322 -6.6271 -6.5978 -6.5976 -6.5502 -6.5464 -3.2898 -3.2897 0.6554 0.6589 0.9086 0.9229 1.7060 1.7127 1.9763 2.0051 2.7424 2.7558 2.9859 3.0443 3.1966 3.1975 3.2321 3.2408 3.2710 3.2785 3.4021 3.4039 3.5051 3.5383 4.3854 4.4014 4.5477 4.5529 4.5734 4.6453 4.6613 4.6765 4.7071 4.7149 4.9265 4.9689 4.9868 5.0218 5.0233 5.0875 5.2545 5.2821 5.4673 5.5234 6.1090 6.1374 6.1990 6.1996 6.3929 6.4032 6.7247 6.7280 6.7818 6.8316 7.1524 7.2234 9.1190 9.1390 9.3261 9.3656 10.0962 10.1082 11.1430 11.1565 11.9294 11.9535 k =-0.0948 0.1313 0.8541 ( 5880 PWs) bands (ev): -7.9236 -7.9235 -6.6432 -6.6383 -6.5923 -6.5919 -6.5478 -6.5441 -3.2824 -3.2823 0.6743 0.6783 0.9261 0.9426 1.7086 1.7166 1.9696 2.0028 2.7450 2.7581 2.9740 3.0361 3.1933 3.1951 3.2270 3.2286 3.2499 3.2694 3.4056 3.4085 3.5047 3.5392 4.3844 4.3983 4.5450 4.5538 4.5704 4.6463 4.6580 4.6805 4.7061 4.7155 4.9172 4.9680 4.9880 5.0229 5.0263 5.0968 5.2507 5.2814 5.4535 5.5148 6.1069 6.1381 6.1837 6.1848 6.3645 6.3776 6.7039 6.7102 6.7508 6.7938 7.1977 7.2666 9.1226 9.1411 9.3760 9.4170 10.0918 10.1048 11.1124 11.1258 11.9159 11.9412 k =-0.1067 0.1477 0.8541 ( 5880 PWs) bands (ev): -7.9249 -7.9247 -6.6552 -6.6502 -6.5862 -6.5856 -6.5454 -6.5417 -3.2745 -3.2743 0.6955 0.6999 0.9460 0.9645 1.7112 1.7208 1.9624 1.9999 2.7480 2.7593 2.9609 3.0225 3.1874 3.1916 3.2120 3.2224 3.2333 3.2669 3.4097 3.4133 3.5032 3.5385 4.3839 4.3944 4.5417 4.5547 4.5679 4.6473 4.6540 4.6844 4.7050 4.7162 4.9081 4.9674 4.9895 5.0233 5.0309 5.1071 5.2468 5.2805 5.4397 5.5053 6.1043 6.1368 6.1648 6.1650 6.3364 6.3523 6.6804 6.6917 6.7207 6.7553 7.2461 7.3134 9.1243 9.1415 9.4267 9.4694 10.0850 10.0989 11.0844 11.0975 11.8956 11.9221 k =-0.1185 0.1641 0.8541 ( 5888 PWs) bands (ev): -7.9264 -7.9262 -6.6678 -6.6628 -6.5794 -6.5787 -6.5429 -6.5392 -3.2663 -3.2660 0.7188 0.7237 0.9682 0.9888 1.7137 1.7249 1.9547 1.9967 2.7513 2.7588 2.9467 3.0023 3.1780 3.1856 3.2028 3.2093 3.2276 3.2672 3.4142 3.4182 3.5009 3.5365 4.3839 4.3896 4.5377 4.5556 4.5658 4.6486 4.6492 4.6879 4.7039 4.7170 4.8994 4.9671 4.9912 5.0230 5.0368 5.1181 5.2430 5.2795 5.4261 5.4952 6.1010 6.1268 6.1391 6.1481 6.3104 6.3286 6.6535 6.6727 6.6933 6.7168 7.2970 7.3631 9.1237 9.1399 9.4765 9.5212 10.0754 10.0900 11.0598 11.0723 11.8703 11.8981 k =-0.1304 0.1805 0.8541 ( 5892 PWs) bands (ev): -7.9282 -7.9280 -6.6811 -6.6761 -6.5719 -6.5712 -6.5401 -6.5364 -3.2580 -3.2576 0.7441 0.7495 0.9927 1.0154 1.7158 1.7288 1.9466 1.9930 2.7551 2.7556 2.9321 2.9752 3.1682 3.1753 3.1984 3.1993 3.2258 3.2689 3.4192 3.4232 3.4978 3.5332 4.3839 4.3845 4.5334 4.5563 4.5638 4.6438 4.6507 4.6908 4.7028 4.7178 4.8914 4.9672 4.9931 5.0225 5.0443 5.1300 5.2393 5.2783 5.4131 5.4845 6.0966 6.0992 6.1069 6.1420 6.2878 6.3074 6.6235 6.6530 6.6688 6.6792 7.3498 7.4150 9.1207 9.1360 9.5236 9.5704 10.0625 10.0777 11.0395 11.0511 11.8417 11.8709 k =-0.1304 0.1805 0.8541 ( 5892 PWs) bands (ev): -7.9282 -7.9280 -6.6811 -6.6761 -6.5719 -6.5712 -6.5401 -6.5364 -3.2580 -3.2576 0.7441 0.7495 0.9927 1.0154 1.7158 1.7288 1.9466 1.9930 2.7551 2.7556 2.9321 2.9752 3.1682 3.1753 3.1984 3.1993 3.2258 3.2689 3.4192 3.4232 3.4978 3.5332 4.3839 4.3845 4.5334 4.5563 4.5638 4.6438 4.6507 4.6908 4.7028 4.7178 4.8914 4.9672 4.9931 5.0225 5.0443 5.1300 5.2393 5.2783 5.4131 5.4845 6.0966 6.0992 6.1069 6.1420 6.2878 6.3074 6.6235 6.6530 6.6688 6.6792 7.3498 7.4150 9.1207 9.1360 9.5236 9.5704 10.0625 10.0777 11.0395 11.0511 11.8417 11.8709 k =-0.1392 0.1927 0.8390 ( 5886 PWs) bands (ev): -7.9300 -7.9297 -6.6912 -6.6862 -6.5706 -6.5675 -6.5347 -6.5299 -3.2520 -3.2515 0.7646 0.7703 1.0130 1.0372 1.7165 1.7311 1.9403 1.9898 2.7497 2.7606 2.9215 2.9508 3.1618 3.1653 3.1938 3.1966 3.2252 3.2708 3.4223 3.4267 3.4953 3.5301 4.3792 4.3860 4.5303 4.5568 4.5622 4.6395 4.6529 4.6922 4.7024 4.7190 4.8859 4.9676 4.9944 5.0219 5.0505 5.1388 5.2375 5.2788 5.4039 5.4763 6.0668 6.0738 6.0959 6.1389 6.2715 6.2918 6.5986 6.6322 6.6494 6.6655 7.3913 7.4556 9.1170 9.1319 9.5572 9.6057 10.0494 10.0654 11.0309 11.0417 11.8185 11.8487 k =-0.1480 0.2049 0.8240 ( 5876 PWs) bands (ev): -7.9324 -7.9321 -6.7011 -6.6962 -6.5739 -6.5695 -6.5232 -6.5172 -3.2465 -3.2457 0.7869 0.7929 1.0359 1.0618 1.7160 1.7324 1.9334 1.9857 2.7422 2.7679 2.9120 2.9231 3.1546 3.1561 3.1885 3.1944 3.2252 3.2731 3.4240 3.4297 3.4929 3.5269 4.3747 4.3886 4.5275 4.5565 4.5605 4.6353 4.6556 4.6927 4.7027 4.7216 4.8805 4.9684 4.9954 5.0213 5.0568 5.1468 5.2375 5.2819 5.3955 5.4679 6.0255 6.0351 6.0909 6.1341 6.2520 6.2734 6.5715 6.6004 6.6418 6.6623 7.4356 7.4986 9.1119 9.1267 9.5901 9.6408 10.0313 10.0498 11.0326 11.0424 11.7942 11.8252 k =-0.1568 0.2171 0.8090 ( 5871 PWs) bands (ev): -7.9353 -7.9350 -6.7109 -6.7060 -6.5788 -6.5741 -6.5086 -6.5021 -3.2413 -3.2403 0.8108 0.8172 1.0614 1.0889 1.7148 1.7329 1.9258 1.9806 2.7314 2.7764 2.8917 2.9055 3.1440 3.1507 3.1828 3.1917 3.2257 3.2759 3.4248 3.4320 3.4906 3.5235 4.3703 4.3922 4.5250 4.5535 4.5602 4.6315 4.6586 4.6925 4.7036 4.7253 4.8756 4.9696 4.9960 5.0208 5.0632 5.1537 5.2395 5.2881 5.3884 5.4597 5.9787 5.9905 6.0833 6.1262 6.2287 6.2513 6.5436 6.5678 6.6411 6.6636 7.4817 7.5432 9.1051 9.1200 9.6214 9.6752 10.0080 10.0318 11.0449 11.0536 11.7703 11.8017 k =-0.1656 0.2293 0.7939 ( 5872 PWs) bands (ev): -7.9387 -7.9384 -6.7205 -6.7155 -6.5843 -6.5796 -6.4925 -6.4857 -3.2365 -3.2353 0.8362 0.8430 1.0893 1.1186 1.7128 1.7327 1.9175 1.9744 2.7161 2.7854 2.8588 2.9013 3.1341 3.1455 3.1763 3.1885 3.2267 3.2792 3.4250 3.4339 3.4884 3.5200 4.3663 4.3966 4.5229 4.5481 4.5607 4.6284 4.6614 4.6923 4.7051 4.7299 4.8715 4.9712 4.9960 5.0204 5.0698 5.1594 5.2431 5.2971 5.3830 5.4519 5.9283 5.9419 6.0721 6.1142 6.2022 6.2255 6.5160 6.5365 6.6449 6.6681 7.5286 7.5886 9.0965 9.1117 9.6495 9.7082 9.9798 10.0130 11.0677 11.0753 11.7481 11.7796 k =-0.1744 0.2415 0.7789 ( 5877 PWs) bands (ev): -7.9424 -7.9421 -6.7298 -6.7248 -6.5898 -6.5854 -6.4758 -6.4688 -3.2322 -3.2307 0.8629 0.8702 1.1197 1.1506 1.7103 1.7318 1.9086 1.9672 2.6958 2.7926 2.8257 2.9003 3.1251 3.1402 3.1690 3.1851 3.2279 3.2831 3.4249 3.4353 3.4863 3.5164 4.3623 4.4015 4.5211 4.5412 4.5613 4.6259 4.6639 4.6924 4.7071 4.7354 4.8685 4.9734 4.9956 5.0205 5.0768 5.1643 5.2482 5.3087 5.3797 5.4447 5.8758 5.8909 6.0570 6.0975 6.1732 6.1967 6.4899 6.5074 6.6519 6.6751 7.5755 7.6340 9.0859 9.1016 9.6723 9.7391 9.9486 9.9954 11.1001 11.1067 11.7288 11.7601 k =-0.1832 0.2537 0.7639 ( 5871 PWs) bands (ev): -7.9464 -7.9461 -6.7387 -6.7337 -6.5954 -6.5911 -6.4589 -6.4517 -3.2283 -3.2265 0.8909 0.8985 1.1524 1.1850 1.7074 1.7301 1.8991 1.9592 2.6704 2.7774 2.8128 2.9019 3.1173 3.1341 3.1609 3.1821 3.2294 3.2877 3.4245 3.4366 3.4845 3.5129 4.3585 4.4065 4.5197 4.5332 4.5621 4.6240 4.6655 4.6932 4.7097 4.7417 4.8669 4.9760 4.9947 5.0210 5.0845 5.1686 5.2543 5.3225 5.3788 5.4383 5.8224 5.8385 6.0375 6.0758 6.1420 6.1655 6.4661 6.4815 6.6610 6.6837 7.6214 7.6786 9.0735 9.0899 9.6871 9.7652 9.9181 9.9824 11.1405 11.1464 11.7137 11.7442 k =-0.1920 0.2658 0.7488 ( 5871 PWs) bands (ev): -7.9506 -7.9503 -6.7472 -6.7422 -6.6008 -6.5968 -6.4420 -6.4346 -3.2248 -3.2228 0.9199 0.9278 1.1872 1.2216 1.7040 1.7278 1.8894 1.9506 2.6405 2.7399 2.8197 2.9050 3.1108 3.1269 3.1523 3.1800 3.2311 3.2930 3.4241 3.4378 3.4829 3.5094 4.3546 4.4111 4.5186 4.5247 4.5628 4.6225 4.6662 4.6943 4.7129 4.7488 4.8669 4.9791 4.9934 5.0221 5.0931 5.1726 5.2611 5.3376 5.3807 5.4328 5.7689 5.7859 6.0134 6.0493 6.1088 6.1323 6.4455 6.4595 6.6713 6.6931 7.6654 7.7217 9.0595 9.0769 9.6912 9.7791 9.8971 9.9772 11.1867 11.1920 11.7043 11.7334 k =-0.2008 0.2780 0.7338 ( 5871 PWs) bands (ev): -7.9550 -7.9546 -6.7552 -6.7502 -6.6060 -6.6022 -6.4253 -6.4177 -3.2218 -3.2194 0.9497 0.9579 1.2240 1.2600 1.7003 1.7246 1.8799 1.9417 2.6066 2.6984 2.8279 2.9086 3.1055 3.1182 3.1434 3.1792 3.2329 3.2990 3.4238 3.4391 3.4816 3.5061 4.3507 4.4145 4.5155 4.5189 4.5636 4.6214 4.6662 4.6953 4.7166 4.7570 4.8688 4.9826 4.9919 5.0236 5.1029 5.1767 5.2682 5.3537 5.3853 5.4284 5.7162 5.7339 5.9850 6.0184 6.0737 6.0977 6.4281 6.4418 6.6821 6.7029 7.7068 7.7623 9.0445 9.0629 9.6837 9.7691 9.8988 9.9818 11.2354 11.2406 11.7028 11.7296 k =-0.2096 0.2902 0.7188 ( 5872 PWs) bands (ev): -7.9593 -7.9589 -6.7629 -6.7579 -6.6109 -6.6074 -6.4090 -6.4012 -3.2191 -3.2165 0.9801 0.9886 1.2624 1.3002 1.6962 1.7204 1.8707 1.9328 2.5695 2.6547 2.8354 2.9118 3.1011 3.1080 3.1348 3.1799 3.2349 3.3056 3.4237 3.4406 3.4805 3.5028 4.3468 4.4161 4.5081 4.5191 4.5646 4.6203 4.6657 4.6956 4.7210 4.7665 4.8723 4.9863 4.9904 5.0258 5.1143 5.1813 5.2753 5.3699 5.3926 5.4251 5.6650 5.6836 5.9528 5.9837 6.0373 6.0619 6.4139 6.4280 6.6930 6.7127 7.7448 7.7998 9.0289 9.0484 9.6663 9.7394 9.9203 9.9954 11.2822 11.2884 11.7119 11.7354 k =-0.2184 0.3024 0.7037 ( 5872 PWs) bands (ev): -7.9636 -7.9632 -6.7700 -6.7650 -6.6155 -6.6123 -6.3933 -6.3853 -3.2168 -3.2140 1.0110 1.0195 1.3022 1.3417 1.6919 1.7151 1.8623 1.9241 2.5294 2.6093 2.8418 2.9142 3.0956 3.0972 3.1275 3.1818 3.2370 3.3129 3.4239 3.4424 3.4798 3.4997 4.3428 4.4150 4.5020 4.5204 4.5657 4.6193 4.6648 4.6950 4.7259 4.7774 4.8774 4.9877 4.9913 5.0286 5.1275 5.1866 5.2822 5.3851 5.4019 5.4235 5.6162 5.6359 5.9172 5.9458 6.0003 6.0257 6.4025 6.4177 6.7037 6.7223 7.7789 7.8336 9.0134 9.0338 9.6424 9.7021 9.9504 10.0159 11.3224 11.3312 11.7343 11.7536 k =-0.2272 0.3146 0.6887 ( 5876 PWs) bands (ev): -7.9677 -7.9673 -6.7766 -6.7716 -6.6199 -6.6168 -6.3783 -6.3702 -3.2149 -3.2118 1.0419 1.0506 1.3428 1.3840 1.6876 1.7089 1.8550 1.9159 2.4870 2.5624 2.8471 2.9155 3.0834 3.0904 3.1229 3.1847 3.2393 3.3206 3.4243 3.4443 3.4793 3.4967 4.3389 4.4109 4.4975 4.5228 4.5669 4.6183 4.6636 4.6937 4.7314 4.7896 4.8836 4.9859 4.9956 5.0322 5.1425 5.1928 5.2887 5.3965 5.4126 5.4250 5.5707 5.5923 5.8791 5.9055 5.9633 5.9894 6.3937 6.4100 6.7141 6.7314 7.8085 7.8631 8.9986 9.0198 9.6149 9.6633 9.9838 10.0408 11.3528 11.3652 11.7712 11.7861 k =-0.2360 0.3268 0.6737 ( 5887 PWs) bands (ev): -7.9716 -7.9713 -6.7826 -6.7776 -6.6238 -6.6211 -6.3643 -6.3561 -3.2133 -3.2099 1.0727 1.0813 1.3835 1.4265 1.6839 1.7021 1.8490 1.9085 2.4426 2.5141 2.8513 2.9159 3.0700 3.0816 3.1217 3.1881 3.2419 3.3286 3.4251 3.4466 3.4791 3.4939 4.3351 4.4042 4.4946 4.5263 4.5682 4.6172 4.6622 4.6919 4.7373 4.8031 4.8907 4.9837 5.0003 5.0368 5.1594 5.1998 5.2941 5.3995 5.4238 5.4318 5.5300 5.5548 5.8392 5.8637 5.9269 5.9534 6.3870 6.4043 6.7239 6.7401 7.8335 7.8881 8.9850 9.0068 9.5864 9.6253 10.0186 10.0684 11.3727 11.3886 11.8205 11.8322 k =-0.2448 0.3390 0.6586 ( 5885 PWs) bands (ev): -7.9753 -7.9750 -6.7881 -6.7831 -6.6274 -6.6249 -6.3513 -6.3430 -3.2120 -3.2084 1.1029 1.1114 1.4231 1.4680 1.6813 1.6961 1.8444 1.9021 2.3967 2.4646 2.8549 2.9156 3.0562 3.0710 3.1228 3.1916 3.2447 3.3366 3.4262 3.4490 3.4792 3.4913 4.3316 4.3956 4.4927 4.5307 4.5698 4.6161 4.6605 4.6898 4.7437 4.8176 4.8982 4.9813 5.0054 5.0424 5.1781 5.2077 5.2974 5.3934 5.4348 5.4400 5.4974 5.5268 5.7984 5.8218 5.8914 5.9179 6.3820 6.4001 6.7331 6.7480 7.8537 7.9083 8.9731 8.9950 9.5585 9.5894 10.0538 10.0972 11.3839 11.4024 11.8765 11.8872 k =-0.2536 0.3512 0.6436 ( 5879 PWs) bands (ev): -7.9787 -7.9783 -6.7930 -6.7880 -6.6307 -6.6284 -6.3396 -6.3311 -3.2109 -3.2071 1.1323 1.1406 1.4596 1.5069 1.6794 1.6943 1.8411 1.8968 2.3497 2.4143 2.8580 2.9147 3.0426 3.0595 3.1252 3.1949 3.2477 3.3443 3.4275 3.4515 3.4795 3.4890 4.3285 4.3860 4.4914 4.5355 4.5717 4.6150 4.6587 4.6878 4.7502 4.8328 4.9057 4.9785 5.0110 5.0492 5.1984 5.2161 5.2967 5.3804 5.4331 5.4504 5.4815 5.5107 5.7576 5.7810 5.8572 5.8830 6.3782 6.3970 6.7416 6.7553 7.8694 7.9240 8.9632 8.9848 9.5323 9.5565 10.0884 10.1260 11.3891 11.4091 11.9313 11.9426 k =-0.2624 0.3633 0.6286 ( 5885 PWs) bands (ev): -7.9818 -7.9814 -6.7972 -6.7922 -6.6335 -6.6315 -6.3291 -6.3205 -3.2101 -3.2061 1.1603 1.1682 1.4897 1.5405 1.6785 1.7020 1.8392 1.8929 2.3024 2.3634 2.8610 2.9135 3.0294 3.0479 3.1281 3.1978 3.2508 3.3516 3.4291 3.4540 3.4800 3.4869 4.3259 4.3761 4.4903 4.5402 4.5738 4.6139 4.6567 4.6858 4.7567 4.8486 4.9129 4.9752 5.0173 5.0569 5.2172 5.2261 5.2907 5.3630 5.4190 5.4628 5.4822 5.5054 5.7180 5.7426 5.8246 5.8490 6.3755 6.3946 6.7493 6.7618 7.8810 7.9355 8.9555 8.9763 9.5085 9.5271 10.1216 10.1539 11.3904 11.4111 11.9763 11.9883 k =-0.2712 0.3755 0.6135 ( 5885 PWs) bands (ev): -7.9844 -7.9840 -6.8009 -6.7959 -6.6359 -6.6341 -6.3201 -6.3114 -3.2094 -3.2053 1.1863 1.1938 1.5102 1.5651 1.6838 1.7198 1.8388 1.8906 2.2555 2.3124 2.8641 2.9121 3.0174 3.0366 3.1310 3.2001 3.2538 3.3580 3.4309 3.4564 3.4804 3.4854 4.3241 4.3664 4.4894 4.5445 4.5760 4.6128 4.6547 4.6842 4.7630 4.8644 4.9194 4.9714 5.0248 5.0654 5.2215 5.2464 5.2826 5.3434 5.4089 5.4728 5.4892 5.5062 5.6812 5.7078 5.7943 5.8164 6.3735 6.3928 6.7560 6.7674 7.8890 7.9434 8.9498 8.9694 9.4878 9.5015 10.1526 10.1797 11.3896 11.4103 12.0046 12.0165 k =-0.2800 0.3877 0.5985 ( 5894 PWs) bands (ev): -7.9866 -7.9862 -6.8039 -6.7989 -6.6378 -6.6363 -6.3125 -6.3038 -3.2089 -3.2047 1.2097 1.2167 1.5206 1.5776 1.7002 1.7447 1.8404 1.8904 2.2102 2.2622 2.8675 2.9104 3.0071 3.0260 3.1336 3.2020 3.2565 3.3634 3.4326 3.4584 3.4803 3.4846 4.3231 4.3572 4.4887 4.5481 4.5783 4.6118 4.6528 4.6828 4.7688 4.8797 4.9251 4.9670 5.0337 5.0742 5.2120 5.2692 5.2803 5.3251 5.4049 5.4776 5.4978 5.5108 5.6495 5.6776 5.7667 5.7859 6.3720 6.3914 6.7618 6.7720 7.8941 7.9484 8.9459 8.9641 9.4704 9.4802 10.1804 10.2023 11.3877 11.4081 12.0166 12.0280 k =-0.2888 0.3999 0.5835 ( 5896 PWs) bands (ev): -7.9883 -7.9879 -6.8062 -6.8012 -6.6394 -6.6380 -6.3066 -6.2978 -3.2086 -3.2042 1.2295 1.2361 1.5235 1.5800 1.7256 1.7702 1.8450 1.8933 2.1686 2.2140 2.8711 2.9084 2.9990 3.0166 3.1358 3.2034 3.2587 3.3677 3.4343 3.4601 3.4796 3.4848 4.3231 4.3488 4.4881 4.5509 4.5804 4.6109 4.6512 4.6817 4.7737 4.8941 4.9297 4.9618 5.0443 5.0825 5.1934 5.2748 5.2958 5.3161 5.4041 5.4774 5.4971 5.5244 5.6254 5.6528 5.7426 5.7586 6.3710 6.3904 6.7664 6.7757 7.8972 7.9513 8.9435 8.9603 9.4567 9.4633 10.2040 10.2207 11.3856 11.4054 12.0184 12.0296 k =-0.2976 0.4121 0.5684 ( 5886 PWs) bands (ev): -7.9896 -7.9892 -6.8079 -6.8029 -6.6404 -6.6392 -6.3023 -6.2934 -3.2083 -3.2039 1.2447 1.2511 1.5227 1.5778 1.7527 1.7880 1.8539 1.9003 2.1341 2.1700 2.8747 2.9060 2.9935 3.0090 3.1374 3.2044 3.2605 3.3708 3.4357 3.4614 3.4789 3.4852 4.3242 4.3416 4.4877 4.5529 4.5822 4.6103 4.6500 4.6809 4.7775 4.9068 4.9333 4.9562 5.0565 5.0891 5.1731 5.2666 5.3139 5.3234 5.4045 5.4689 5.4933 5.5419 5.6096 5.6343 5.7229 5.7368 6.3704 6.3898 6.7699 6.7783 7.8988 7.9528 8.9422 8.9576 9.4467 9.4511 10.2224 10.2339 11.3837 11.4029 12.0162 12.0272 k =-0.3064 0.4243 0.5534 ( 5879 PWs) bands (ev): -7.9903 -7.9900 -6.8089 -6.8039 -6.6411 -6.6400 -6.2997 -6.2908 -3.2082 -3.2037 1.2544 1.2607 1.5209 1.5752 1.7748 1.7944 1.8636 1.9099 2.1127 2.1346 2.8778 2.9039 2.9906 3.0036 3.1384 3.2049 3.2616 3.3727 3.4366 3.4622 3.4783 3.4856 4.3264 4.3356 4.4875 4.5541 4.5834 4.6098 4.6493 4.6804 4.7799 4.9166 4.9356 4.9506 5.0687 5.0921 5.1569 5.2582 5.3242 5.3369 5.4082 5.4522 5.4924 5.5588 5.5984 5.6230 5.7090 5.7229 6.3700 6.3894 6.7720 6.7799 7.8995 7.9535 8.9416 8.9561 9.4407 9.4437 10.2347 10.2413 11.3825 11.4012 12.0137 12.0246 k =-0.3152 0.4365 0.5384 ( 5887 PWs) bands (ev): -7.9906 -7.9902 -6.8093 -6.8043 -6.6413 -6.6402 -6.2989 -6.2899 -3.2082 -3.2037 1.2577 1.2640 1.5202 1.5741 1.7858 1.7930 1.8678 1.9149 2.1083 2.1173 2.8790 2.9029 2.9898 3.0015 3.1387 3.2051 3.2619 3.3733 3.4369 3.4625 3.4781 3.4857 4.3287 4.3320 4.4874 4.5545 4.5838 4.6096 4.6490 4.6803 4.7807 4.9208 4.9366 4.9477 5.0754 5.0914 5.1505 5.2549 5.3286 5.3418 5.4135 5.4409 5.4925 5.5679 5.5917 5.6194 5.7038 5.7181 6.3699 6.3892 6.7727 6.7804 7.8997 7.9536 8.9414 8.9556 9.4387 9.4412 10.2395 10.2432 11.3821 11.4006 12.0127 12.0235 k =-0.3152 0.4365 0.5384 ( 5887 PWs) bands (ev): -7.9906 -7.9902 -6.8093 -6.8043 -6.6413 -6.6402 -6.2989 -6.2899 -3.2082 -3.2037 1.2577 1.2640 1.5202 1.5741 1.7858 1.7930 1.8678 1.9149 2.1083 2.1173 2.8790 2.9029 2.9898 3.0015 3.1387 3.2051 3.2619 3.3733 3.4369 3.4625 3.4781 3.4857 4.3287 4.3320 4.4874 4.5545 4.5838 4.6096 4.6490 4.6803 4.7807 4.9208 4.9366 4.9477 5.0754 5.0914 5.1505 5.2549 5.3286 5.3418 5.4135 5.4409 5.4925 5.5679 5.5917 5.6194 5.7038 5.7181 6.3699 6.3892 6.7727 6.7804 7.8997 7.9536 8.9414 8.9556 9.4387 9.4412 10.2395 10.2432 11.3821 11.4006 12.0127 12.0235 k =-0.3064 0.4243 0.5234 ( 5887 PWs) bands (ev): -7.9928 -7.9924 -6.7913 -6.7861 -6.6541 -6.6530 -6.2979 -6.2888 -3.2122 -3.2078 1.2343 1.2387 1.5054 1.5547 1.7843 1.7896 1.8923 1.9409 2.1252 2.1293 2.8671 2.8861 2.9642 2.9794 3.1414 3.2121 3.2635 3.3741 3.4267 3.4507 3.4778 3.4781 4.3465 4.3508 4.4992 4.5534 4.5866 4.6108 4.6492 4.6932 4.7757 4.9071 4.9397 4.9522 5.0843 5.0938 5.1528 5.2587 5.3217 5.3359 5.3884 5.4185 5.4827 5.5641 5.5990 5.6230 5.7164 5.7360 6.3869 6.4073 6.7756 6.7832 7.8893 7.9430 8.9546 8.9720 9.4489 9.4505 10.3159 10.3187 11.4173 11.4344 12.0538 12.0606 k =-0.2977 0.4122 0.5085 ( 5899 PWs) bands (ev): -7.9963 -7.9959 -6.7728 -6.7674 -6.6648 -6.6635 -6.2970 -6.2876 -3.2180 -3.2135 1.2123 1.2147 1.4909 1.5363 1.7734 1.7790 1.9264 1.9749 2.1437 2.1443 2.8535 2.8674 2.9378 2.9565 3.1435 3.2161 3.2671 3.3732 3.4169 3.4389 3.4717 3.4809 4.3622 4.3664 4.5116 4.5535 4.5890 4.6128 4.6493 4.7076 4.7699 4.8921 4.9429 4.9574 5.0911 5.0939 5.1561 5.2621 5.3142 5.3286 5.3629 5.3919 5.4763 5.5629 5.6119 5.6321 5.7355 5.7578 6.3999 6.4214 6.7740 6.7812 7.8789 7.9317 8.9695 8.9898 9.4570 9.4575 10.3810 10.3831 11.4500 11.4657 12.1052 12.1085 k =-0.2889 0.4001 0.4935 ( 5903 PWs) bands (ev): -8.0012 -8.0009 -6.7541 -6.7485 -6.6732 -6.6718 -6.2961 -6.2866 -3.2253 -3.2209 1.1918 1.1923 1.4771 1.5191 1.7588 1.7649 1.9641 2.0131 2.1607 2.1660 2.8387 2.8475 2.9107 2.9331 3.1450 3.2171 3.2719 3.3705 3.4075 3.4271 3.4676 3.4863 4.3760 4.3794 4.5223 4.5565 4.5906 4.6155 4.6499 4.7221 4.7639 4.8763 4.9454 4.9637 5.0920 5.0959 5.1602 5.2640 5.3075 5.3193 5.3398 5.3645 5.4719 5.5633 5.6287 5.6465 5.7607 5.7833 6.4084 6.4309 6.7678 6.7748 7.8694 7.9204 8.9862 9.0089 9.4628 9.4636 10.4328 10.4344 11.4797 11.4940 12.1665 12.1668 k =-0.2802 0.3880 0.4786 ( 5903 PWs) bands (ev): -8.0076 -8.0074 -6.7350 -6.7292 -6.6793 -6.6777 -6.2953 -6.2856 -3.2343 -3.2300 1.1715 1.1729 1.4641 1.5033 1.7426 1.7490 2.0030 2.0533 2.1807 2.1903 2.8231 2.8266 2.8832 2.9092 3.1459 3.2162 3.2767 3.3664 3.3984 3.4153 3.4661 3.4939 4.3883 4.3901 4.5287 4.5640 4.5912 4.6190 4.6515 4.7341 4.7594 4.8603 4.9471 4.9712 5.0884 5.0991 5.1642 5.2622 5.3039 5.3053 5.3239 5.3378 5.4695 5.5648 5.6480 5.6653 5.7912 5.8122 6.4120 6.4353 6.7576 6.7642 7.8615 7.9100 9.0043 9.0291 9.4674 9.4694 10.4697 10.4711 11.5058 11.5186 12.2344 12.2368 k =-0.2714 0.3758 0.4636 ( 5909 PWs) bands (ev): -8.0155 -8.0153 -6.7158 -6.7097 -6.6829 -6.6810 -6.2945 -6.2847 -3.2449 -3.2407 1.1525 1.1558 1.4520 1.4888 1.7254 1.7321 2.0418 2.0940 2.2039 2.2176 2.8048 2.8068 2.8556 2.8852 3.1461 3.2141 3.2801 3.3611 3.3893 3.4034 3.4672 3.5031 4.3989 4.3990 4.5306 4.5752 4.5907 4.6232 4.6543 4.7373 4.7617 4.8443 4.9479 4.9797 5.0835 5.1011 5.1666 5.2557 5.2867 5.3039 5.3129 5.3168 5.4695 5.5672 5.6686 5.6871 5.8264 5.8445 6.4105 6.4342 6.7439 6.7498 7.8557 7.9012 9.0237 9.0500 9.4717 9.4751 10.4908 10.4921 11.5275 11.5388 12.3098 12.3143 k =-0.2627 0.3637 0.4486 ( 5905 PWs) bands (ev): -8.0249 -8.0247 -6.6968 -6.6901 -6.6839 -6.6815 -6.2937 -6.2838 -3.2570 -3.2530 1.1353 1.1404 1.4409 1.4758 1.7077 1.7147 2.0798 2.1339 2.2308 2.2479 2.7827 2.7901 2.8281 2.8611 3.1459 3.2114 3.2819 3.3551 3.3802 3.3914 3.4710 3.5133 4.4063 4.4087 4.5303 4.5873 4.5890 4.6281 4.6582 4.7320 4.7706 4.8287 4.9477 4.9891 5.0775 5.1023 5.1659 5.2458 5.2685 5.2866 5.3101 5.3156 5.4725 5.5707 5.6896 5.7105 5.8657 5.8801 6.4036 6.4275 6.7273 6.7326 7.8526 7.8946 9.0438 9.0714 9.4764 9.4811 10.4957 10.4973 11.5441 11.5539 12.3902 12.3964 k =-0.2539 0.3516 0.4337 ( 5883 PWs) bands (ev): -8.0356 -8.0355 -6.6831 -6.6826 -6.6743 -6.6702 -6.2930 -6.2830 -3.2707 -3.2668 1.1200 1.1270 1.4310 1.4643 1.6897 1.6970 2.1161 2.1718 2.2621 2.2814 2.7603 2.7731 2.8012 2.8374 3.1454 3.2083 3.2817 3.3484 3.3711 3.3793 3.4770 3.5242 4.4124 4.4172 4.5292 4.5862 4.5987 4.6337 4.6633 4.7241 4.7801 4.8138 4.9467 4.9987 5.0706 5.1032 5.1609 5.2342 5.2521 5.2637 5.3159 5.3196 5.4795 5.5759 5.7100 5.7340 5.9086 5.9189 6.3915 6.4152 6.7089 6.7135 7.8525 7.8907 9.0645 9.0929 9.4816 9.4879 10.4849 10.4872 11.5548 11.5630 12.4720 12.4795 k =-0.2451 0.3395 0.4187 ( 5891 PWs) bands (ev): -8.0477 -8.0476 -6.6790 -6.6778 -6.6558 -6.6504 -6.2924 -6.2824 -3.2858 -3.2820 1.1067 1.1154 1.4222 1.4544 1.6715 1.6793 2.1501 2.2068 2.2979 2.3179 2.7379 2.7557 2.7755 2.8142 3.1446 3.2051 3.2800 3.3415 3.3620 3.3669 3.4849 3.5353 4.4174 4.4249 4.5276 4.5824 4.6082 4.6396 4.6689 4.7155 4.7882 4.8001 4.9449 5.0080 5.0628 5.1038 5.1518 5.2219 5.2371 5.2421 5.3220 5.3279 5.4910 5.5831 5.7287 5.7559 5.9546 5.9610 6.3744 6.3973 6.6899 6.6936 7.8557 7.8898 9.0852 9.1141 9.4875 9.4955 10.4594 10.4627 11.5589 11.5653 12.5503 12.5585 k =-0.2364 0.3273 0.4038 ( 5883 PWs) bands (ev): -8.0610 -8.0609 -6.6729 -6.6715 -6.6363 -6.6306 -6.2918 -6.2818 -3.3022 -3.2986 1.0955 1.1057 1.4147 1.4462 1.6532 1.6616 2.1812 2.2385 2.3377 2.3573 2.7157 2.7375 2.7519 2.7918 3.1436 3.2019 3.2770 3.3344 3.3529 3.3545 3.4941 3.5464 4.4213 4.4318 4.5261 4.5781 4.6158 4.6453 4.6747 4.7073 4.7879 4.7948 4.9426 5.0162 5.0544 5.1044 5.1401 5.2085 5.2231 5.2234 5.3272 5.3388 5.5078 5.5935 5.7444 5.7748 6.0033 6.0063 6.3529 6.3744 6.6719 6.6746 7.8619 7.8919 9.1057 9.1347 9.4941 9.5038 10.4208 10.4256 11.5558 11.5602 12.6184 12.6271 k =-0.2276 0.3152 0.3888 ( 5883 PWs) bands (ev): -8.0753 -8.0753 -6.6647 -6.6632 -6.6167 -6.6108 -6.2912 -6.2812 -3.3199 -3.3165 1.0864 1.0981 1.4086 1.4396 1.6350 1.6442 2.2089 2.2671 2.3804 2.3990 2.6940 2.7175 2.7324 2.7707 3.1425 3.1987 3.2731 3.3273 3.3420 3.3440 3.5040 3.5572 4.4242 4.4379 4.5247 4.5734 4.6215 4.6502 4.6790 4.7009 4.7779 4.8001 4.9397 5.0229 5.0454 5.1048 5.1272 5.1924 5.2088 5.2103 5.3310 5.3500 5.5303 5.6079 5.7561 5.7889 6.0543 6.0546 6.3275 6.3471 6.6562 6.6581 7.8710 7.8969 9.1256 9.1544 9.5009 9.5127 10.3710 10.3778 11.5449 11.5471 12.5956 12.6380 k =-0.2189 0.3031 0.3739 ( 5881 PWs) bands (ev): -8.0906 -8.0906 -6.6545 -6.6529 -6.5972 -6.5912 -6.2908 -6.2808 -3.3387 -3.3355 1.0794 1.0925 1.4038 1.4347 1.6170 1.6271 2.2326 2.2925 2.4249 2.4425 2.6732 2.6964 2.7169 2.7515 3.1414 3.1957 3.2687 3.3201 3.3295 3.3353 3.5144 3.5678 4.4259 4.4431 4.5237 4.5685 4.6252 4.6537 4.6785 4.6997 4.7704 4.8043 4.9364 5.0273 5.0363 5.1031 5.1158 5.1741 5.1980 5.1987 5.3332 5.3599 5.5583 5.6271 5.7625 5.7971 6.1056 6.1075 6.2991 6.3161 6.6447 6.6458 7.8826 7.9044 9.1447 9.1729 9.5075 9.5215 10.3121 10.3213 11.5257 11.5260 12.5239 12.5648 k =-0.2101 0.2910 0.3589 ( 5893 PWs) bands (ev): -8.1067 -8.1067 -6.6425 -6.6407 -6.5779 -6.5718 -6.2904 -6.2805 -3.3586 -3.3556 1.0745 1.0888 1.4006 1.4316 1.5993 1.6105 2.2515 2.3141 2.4700 2.4871 2.6535 2.6757 2.7051 2.7351 3.1404 3.1927 3.2639 3.3129 3.3172 3.3269 3.5249 3.5779 4.4264 4.4475 4.5232 4.5637 4.6271 4.6557 4.6728 4.7038 4.7656 4.8074 4.9330 5.0244 5.0319 5.0938 5.1118 5.1552 5.1869 5.1911 5.3341 5.3669 5.5913 5.6515 5.7625 5.7982 6.1586 6.1625 6.2689 6.2822 6.6388 6.6392 7.8959 7.9139 9.1626 9.1901 9.5128 9.5294 10.2463 10.2587 11.4962 11.4993 12.4381 12.4765 k =-0.2014 0.2789 0.3440 ( 5901 PWs) bands (ev): -8.1234 -8.1234 -6.6287 -6.6269 -6.5587 -6.5526 -6.2900 -6.2802 -3.3793 -3.3765 1.0718 1.0871 1.3988 1.4303 1.5821 1.5945 2.2648 2.3311 2.5137 2.5316 2.6361 2.6562 2.6973 2.7226 3.1395 3.1900 3.2589 3.3041 3.3071 3.3193 3.5353 3.5876 4.4259 4.4509 4.5233 4.5592 4.6271 4.6564 4.6653 4.7097 4.7633 4.8099 4.9293 5.0145 5.0319 5.0804 5.1111 5.1363 5.1774 5.1855 5.3340 5.3708 5.6284 5.6805 5.7556 5.7923 6.2072 6.2188 6.2439 6.2467 6.6396 6.6398 7.9103 7.9246 9.1792 9.2058 9.5155 9.5353 10.1761 10.1924 11.4591 11.4650 12.3415 12.3771 k =-0.1926 0.2667 0.3290 ( 5905 PWs) bands (ev): -8.1406 -8.1406 -6.6135 -6.6116 -6.5399 -6.5337 -6.2897 -6.2800 -3.4008 -3.3982 1.0712 1.0873 1.3986 1.4308 1.5654 1.5793 2.2719 2.3423 2.5511 2.5734 2.6248 2.6397 2.6947 2.7155 3.1388 3.1875 3.2540 3.2930 3.3001 3.3127 3.5456 3.5968 4.4244 4.4534 4.5240 4.5554 4.6251 4.6563 4.6575 4.7157 4.7633 4.8116 4.9256 5.0040 5.0302 5.0663 5.1095 5.1175 5.1709 5.1818 5.3334 5.3715 5.6678 5.7107 5.7429 5.7820 6.1961 6.2090 6.2775 6.2799 6.6476 6.6483 7.9251 7.9357 9.1944 9.2200 9.5140 9.5373 10.1044 10.1254 11.4151 11.4239 12.2375 12.2706 k =-0.1839 0.2546 0.3140 ( 5901 PWs) bands (ev): -8.1581 -8.1581 -6.5970 -6.5951 -6.5214 -6.5152 -6.2895 -6.2799 -3.4228 -3.4205 1.0726 1.0894 1.3999 1.4332 1.5496 1.5652 2.2726 2.3471 2.5648 2.5961 2.6354 2.6404 2.6983 2.7152 3.1384 3.1852 3.2490 3.2826 3.2939 3.3076 3.5555 3.6054 4.4221 4.4548 4.5253 4.5524 4.6215 4.6498 4.6554 4.7214 4.7649 4.8129 4.9218 4.9932 5.0264 5.0521 5.0987 5.1049 5.1685 5.1799 5.3327 5.3697 5.6977 5.7257 5.7357 5.7836 6.1639 6.1719 6.3367 6.3387 6.6632 6.6644 7.9392 7.9464 9.2083 9.2328 9.5061 9.5330 10.0346 10.0607 11.3651 11.3769 12.1297 12.1603 k =-0.1751 0.2425 0.2991 ( 5905 PWs) bands (ev): -8.1758 -8.1758 -6.5794 -6.5775 -6.5033 -6.4972 -6.2893 -6.2799 -3.4454 -3.4432 1.0759 1.0931 1.4029 1.4373 1.5347 1.5522 2.2672 2.3455 2.5531 2.5850 2.6667 2.6691 2.7113 2.7236 3.1382 3.1832 3.2440 3.2734 3.2881 3.3045 3.5650 3.6136 4.4192 4.4553 4.5270 4.5504 4.6167 4.6423 4.6540 4.7264 4.7675 4.8136 4.9178 4.9823 5.0204 5.0379 5.0801 5.0971 5.1708 5.1796 5.3323 5.3659 5.6833 5.7077 5.7691 5.8151 6.1311 6.1353 6.3970 6.4004 6.6857 6.6878 7.9517 7.9558 9.2207 9.2445 9.4892 9.5192 9.9705 10.0018 11.3099 11.3246 12.0206 12.0491 k =-0.1663 0.2304 0.2841 ( 5913 PWs) bands (ev): -8.1934 -8.1934 -6.5609 -6.5590 -6.4857 -6.4796 -6.2891 -6.2799 -3.4682 -3.4663 1.0811 1.0983 1.4075 1.4431 1.5212 1.5406 2.2566 2.3381 2.5332 2.5655 2.6922 2.6955 2.7397 2.7448 3.1383 3.1813 3.2390 3.2660 3.2832 3.3041 3.5742 3.6212 4.4161 4.4549 4.5290 4.5492 4.6113 4.6351 4.6520 4.7305 4.7707 4.8138 4.9136 4.9712 5.0123 5.0234 5.0616 5.0867 5.1767 5.1808 5.3324 5.3605 5.6528 5.6756 5.8149 5.8578 6.0997 6.1006 6.4581 6.4636 6.7145 6.7176 7.9617 7.9629 9.2316 9.2554 9.4614 9.4922 9.9162 9.9517 11.2504 11.2678 11.9127 11.9393 k =-0.1576 0.2182 0.2692 ( 5905 PWs) bands (ev): -8.2110 -8.2109 -6.5418 -6.5399 -6.4686 -6.4626 -6.2890 -6.2800 -3.4913 -3.4895 1.0879 1.1049 1.4137 1.4503 1.5096 1.5308 2.2416 2.3259 2.5102 2.5437 2.7071 2.7143 2.7779 2.7789 3.1387 3.1798 3.2340 3.2607 3.2798 3.3071 3.5829 3.6284 4.4129 4.4538 4.5312 4.5489 4.6057 4.6283 4.6494 4.7338 4.7743 4.8134 4.9093 4.9599 5.0020 5.0086 5.0435 5.0751 5.1836 5.1855 5.3333 5.3542 5.6178 5.6381 5.8607 5.9025 6.0704 6.0718 6.5198 6.5280 6.7483 6.7531 7.9667 7.9681 9.2401 9.2659 9.4228 9.4500 9.8744 9.9118 11.1872 11.2070 11.8079 11.8330 k =-0.1488 0.2061 0.2542 ( 5895 PWs) bands (ev): -8.2282 -8.2281 -6.5222 -6.5204 -6.4521 -6.4462 -6.2890 -6.2802 -3.5143 -3.5127 1.0962 1.1125 1.4216 1.4584 1.5006 1.5230 2.2233 2.3102 2.4852 2.5205 2.7190 2.7274 2.8179 2.8181 3.1394 3.1786 3.2290 3.2569 3.2794 3.3141 3.5913 3.6351 4.4100 4.4523 4.5334 4.5493 4.6002 4.6218 4.6463 4.7360 4.7779 4.8124 4.9045 4.9484 4.9897 4.9932 5.0260 5.0628 5.1878 5.1963 5.3348 5.3472 5.5807 5.5980 5.8992 5.9412 6.0509 6.0539 6.5819 6.5933 6.7863 6.7931 7.9665 7.9702 9.2430 9.2767 9.3780 9.3933 9.8447 9.8816 11.1207 11.1425 11.7081 11.7321 k =-0.1401 0.1940 0.2393 ( 5891 PWs) bands (ev): -8.2450 -8.2450 -6.5024 -6.5006 -6.4363 -6.4304 -6.2890 -6.2804 -3.5372 -3.5358 1.1055 1.1207 1.4310 1.4654 1.4967 1.5177 2.2026 2.2918 2.4586 2.4958 2.7286 2.7367 2.8569 2.8576 3.1403 3.1776 3.2240 3.2535 3.2840 3.3256 3.5993 3.6414 4.4075 4.4507 4.5356 4.5503 4.5951 4.6156 4.6426 4.7374 4.7813 4.8105 4.8992 4.9365 4.9754 4.9772 5.0095 5.0505 5.1932 5.2086 5.3369 5.3396 5.5434 5.5572 5.9160 5.9555 6.0564 6.0641 6.6440 6.6589 6.8275 6.8368 7.9614 7.9670 9.2292 9.2875 9.3262 9.3410 9.8240 9.8588 11.0510 11.0743 11.6149 11.6384 k =-0.1313 0.1819 0.2243 ( 5881 PWs) bands (ev): -8.2613 -8.2613 -6.4825 -6.4808 -6.4211 -6.4153 -6.2890 -6.2807 -3.5597 -3.5585 1.1156 1.1293 1.4420 1.4682 1.5011 1.5152 2.1801 2.2715 2.4305 2.4696 2.7354 2.7423 2.8941 2.8955 3.1413 3.1769 3.2193 3.2497 3.2951 3.3418 3.6070 3.6473 4.4056 4.4492 4.5377 4.5516 4.5904 4.6098 4.6384 4.7380 4.7845 4.8075 4.8933 4.9241 4.9595 4.9607 4.9939 5.0384 5.1997 5.2219 5.3314 5.3390 5.5076 5.5175 5.9057 5.9420 6.0919 6.1053 6.7059 6.7247 6.8711 6.8834 7.9510 7.9579 9.1852 9.2492 9.3025 9.3288 9.8086 9.8405 10.9784 11.0025 11.5297 11.5531 k =-0.1226 0.1697 0.2094 ( 5893 PWs) bands (ev): -8.2771 -8.2770 -6.4628 -6.4611 -6.4066 -6.4010 -6.2890 -6.2810 -3.5818 -3.5807 1.1260 1.1379 1.4545 1.4682 1.5131 1.5161 2.1564 2.2497 2.4010 2.4419 2.7388 2.7438 2.9289 2.9311 3.1423 3.1763 3.2148 3.2455 3.3129 3.3626 3.6143 3.6529 4.4045 4.4480 4.5396 4.5530 4.5862 4.6045 4.6338 4.7379 4.7872 4.8030 4.8866 4.9111 4.9429 4.9439 4.9791 5.0265 5.2072 5.2357 5.3224 5.3402 5.4753 5.4807 5.8825 5.9187 6.1433 6.1592 6.7670 6.7900 6.9162 6.9320 7.9347 7.9426 9.1211 9.1711 9.3165 9.3347 9.7953 9.8243 10.9031 10.9274 11.4533 11.4771 k =-0.1138 0.1576 0.1944 ( 5891 PWs) bands (ev): -8.2921 -8.2920 -6.4434 -6.4419 -6.3929 -6.3874 -6.2891 -6.2813 -3.6032 -3.6023 1.1362 1.1459 1.4684 1.4691 1.5206 1.5292 2.1318 2.2268 2.3701 2.4125 2.7388 2.7410 2.9613 2.9640 3.1435 3.1759 3.2106 3.2412 3.3366 3.3876 3.6214 3.6581 4.4045 4.4474 4.5412 4.5544 4.5827 4.5996 4.6290 4.7375 4.7892 4.7967 4.8790 4.8971 4.9269 4.9272 4.9648 5.0147 5.2155 5.2494 5.3124 5.3389 5.4487 5.4489 5.8552 5.8931 6.2016 6.2182 6.8270 6.8544 6.9625 6.9820 7.9124 7.9208 9.0497 9.0914 9.3328 9.3481 9.7822 9.8084 10.8259 10.8498 11.3862 11.4107 k =-0.1051 0.1455 0.1795 ( 5893 PWs) bands (ev): -8.3063 -8.3062 -6.4245 -6.4231 -6.3799 -6.3746 -6.2892 -6.2817 -3.6239 -3.6231 1.1457 1.1530 1.4730 1.4838 1.5290 1.5479 2.1066 2.2030 2.3378 2.3815 2.7345 2.7354 2.9911 2.9939 3.1450 3.1755 3.2068 3.2369 3.3652 3.4160 3.6282 3.6630 4.4058 4.4476 4.5426 4.5559 4.5799 4.5953 4.6241 4.7369 4.7882 4.7905 4.8702 4.8818 4.9116 4.9128 4.9506 5.0026 5.2242 5.2604 5.3028 5.3325 5.4231 5.4314 5.8270 5.8670 6.2634 6.2799 6.8855 6.9173 7.0093 7.0329 7.8843 7.8926 8.9765 9.0125 9.3509 9.3652 9.7679 9.7916 10.7478 10.7708 11.3282 11.3536 k =-0.0963 0.1334 0.1645 ( 5897 PWs) bands (ev): -8.3196 -8.3195 -6.4064 -6.4052 -6.3678 -6.3627 -6.2893 -6.2821 -3.6436 -3.6430 1.1540 1.1590 1.4806 1.5008 1.5415 1.5688 2.0811 2.1783 2.3043 2.3488 2.7248 2.7289 3.0185 3.0210 3.1467 3.1751 3.2034 3.2327 3.3973 3.4467 3.6349 3.6677 4.4084 4.4486 4.5437 4.5571 4.5778 4.5915 4.6190 4.7363 4.7774 4.7909 4.8595 4.8650 4.8978 4.9015 4.9363 4.9899 5.2331 5.2618 5.3003 5.3206 5.4048 5.4240 5.7989 5.8410 6.3275 6.3436 6.9418 6.9778 7.0566 7.0839 7.8506 7.8583 8.9041 8.9356 9.3707 9.3844 9.7520 9.7733 10.6699 10.6917 11.2788 11.3049 k =-0.0876 0.1212 0.1495 ( 5903 PWs) bands (ev): -8.3320 -8.3319 -6.3891 -6.3881 -6.3565 -6.3517 -6.2895 -6.2826 -3.6622 -3.6617 1.1608 1.1638 1.4923 1.5194 1.5578 1.5915 2.0553 2.1528 2.2696 2.3145 2.7128 2.7200 3.0435 3.0451 3.1490 3.1747 3.2007 3.2287 3.4316 3.4786 3.6414 3.6722 4.4126 4.4506 4.5444 4.5580 4.5763 4.5884 4.6141 4.7356 4.7645 4.7903 4.8467 4.8475 4.8869 4.8929 4.9216 4.9762 5.2411 5.2505 5.3063 5.3087 5.3934 5.4242 5.7715 5.8155 6.3931 6.4086 6.9956 7.0347 7.1041 7.1345 7.8117 7.8186 8.8342 8.8618 9.3917 9.4048 9.7342 9.7534 10.5937 10.6141 11.2372 11.2638 k =-0.0788 0.1091 0.1346 ( 5895 PWs) bands (ev): -8.3434 -8.3433 -6.3730 -6.3722 -6.3461 -6.3416 -6.2897 -6.2831 -3.6795 -3.6791 1.1661 1.1673 1.5084 1.5397 1.5778 1.6159 2.0294 2.1263 2.2339 2.2786 2.6994 2.7091 3.0661 3.0663 3.1518 3.1743 3.1985 3.2249 3.4665 3.5105 3.6480 3.6765 4.4185 4.4538 4.5447 4.5587 4.5756 4.5860 4.6094 4.7342 4.7508 4.7885 4.8299 4.8324 4.8788 4.8865 4.9066 4.9612 5.2350 5.2458 5.2949 5.3210 5.3878 5.4289 5.7452 5.7905 6.4599 6.4747 7.0461 7.0868 7.1520 7.1840 7.7683 7.7741 8.7680 8.7921 9.4133 9.4257 9.7149 9.7322 10.5206 10.5393 11.2025 11.2292 k =-0.0700 0.0970 0.1196 ( 5881 PWs) bands (ev): -8.3537 -8.3537 -6.3581 -6.3577 -6.3365 -6.3323 -6.2898 -6.2836 -3.6955 -3.6952 1.1696 1.1697 1.5286 1.5615 1.6011 1.6417 2.0036 2.0990 2.1974 2.2412 2.6854 2.6970 3.0844 3.0862 3.1553 3.1737 3.1971 3.2213 3.5008 3.5411 3.6548 3.6808 4.4262 4.4581 4.5446 4.5591 4.5755 4.5844 4.6050 4.7258 4.7427 4.7858 4.8135 4.8173 4.8731 4.8813 4.8915 4.9450 5.2200 5.2436 5.2917 5.3332 5.3869 5.4360 5.7201 5.7661 6.5273 6.5413 7.0929 7.1330 7.2000 7.2317 7.7213 7.7257 8.7062 8.7272 9.4346 9.4460 9.6947 9.7103 10.4517 10.4687 11.1741 11.2003 k =-0.0613 0.0849 0.1047 ( 5871 PWs) bands (ev): -8.3629 -8.3629 -6.3447 -6.3445 -6.3277 -6.3240 -6.2900 -6.2841 -3.7099 -3.7097 1.1710 1.1720 1.5525 1.5846 1.6276 1.6688 1.9778 2.0706 2.1603 2.2025 2.6715 2.6844 3.0994 3.1037 3.1595 3.1731 3.1964 3.2180 3.5333 3.5691 3.6620 3.6852 4.4358 4.4636 4.5439 4.5592 4.5760 4.5834 4.6009 4.7086 4.7429 4.7820 4.7985 4.8024 4.8693 4.8734 4.8801 4.9278 5.2073 5.2351 5.2967 5.3436 5.3903 5.4440 5.6965 5.7425 6.5949 6.6081 7.1354 7.1729 7.2470 7.2767 7.6714 7.6745 8.6497 8.6678 9.4548 9.4648 9.6745 9.6888 10.3882 10.4035 11.1512 11.1762 k =-0.0525 0.0727 0.0897 ( 5869 PWs) bands (ev): -8.3710 -8.3710 -6.3335 -6.3327 -6.3195 -6.3166 -6.2903 -6.2847 -3.7227 -3.7225 1.1717 1.1732 1.5796 1.6085 1.6569 1.6969 1.9524 2.0412 2.1230 2.1628 2.6585 2.6717 3.1113 3.1183 3.1644 3.1727 3.1963 3.2151 3.5627 3.5934 3.6700 3.6897 4.4472 4.4702 4.5426 4.5592 4.5768 4.5829 4.5971 4.6885 4.7456 4.7769 4.7853 4.7891 4.8585 4.8666 4.8764 4.9099 5.1972 5.2246 5.3056 5.3513 5.3974 5.4521 5.6747 5.7197 6.6621 6.6745 7.1728 7.2063 7.2916 7.3180 7.6201 7.6218 8.5993 8.6146 9.4728 9.4811 9.6557 9.6687 10.3312 10.3446 11.1331 11.1563 k =-0.0438 0.0606 0.0748 ( 5889 PWs) bands (ev): -8.3779 -8.3779 -6.3242 -6.3226 -6.3121 -6.3100 -6.2905 -6.2853 -3.7338 -3.7336 1.1719 1.1735 1.6093 1.6330 1.6883 1.7255 1.9277 2.0110 2.0857 2.1222 2.6468 2.6595 3.1204 3.1296 3.1696 3.1729 3.1969 3.2125 3.5881 3.6127 3.6792 3.6945 4.4606 4.4776 4.5406 4.5593 4.5779 4.5827 4.5938 4.6673 4.7494 4.7688 4.7742 4.7802 4.8431 4.8646 4.8740 4.8920 5.1897 5.2145 5.3157 5.3565 5.4072 5.4595 5.6553 5.6980 6.7282 6.7395 7.2043 7.2328 7.3323 7.3547 7.5687 7.5693 8.5555 8.5681 9.4875 9.4938 9.6398 9.6516 10.2815 10.2929 11.1193 11.1400 k =-0.0350 0.0485 0.0598 ( 5885 PWs) bands (ev): -8.3836 -8.3835 -6.3168 -6.3144 -6.3054 -6.3043 -6.2907 -6.2860 -3.7429 -3.7428 1.1718 1.1733 1.6408 1.6577 1.7211 1.7539 1.9047 1.9806 2.0489 2.0813 2.6372 2.6485 3.1272 3.1375 3.1738 3.1746 3.1981 3.2103 3.6088 3.6267 3.6894 3.6999 4.4758 4.4859 4.5379 4.5597 4.5790 4.5828 4.5908 4.6456 4.7530 4.7587 4.7667 4.7759 4.8287 4.8615 4.8723 4.8762 5.1847 5.2056 5.3259 5.3599 5.4185 5.4656 5.6390 5.6778 6.7920 6.8021 7.2287 7.2514 7.3677 7.3857 7.5197 7.5199 8.5189 8.5290 9.4977 9.5020 9.6281 9.6386 10.2399 10.2493 11.1093 11.1268 k =-0.0263 0.0364 0.0449 ( 5887 PWs) bands (ev): -8.3880 -8.3880 -6.3112 -6.3083 -6.2999 -6.2993 -6.2908 -6.2869 -3.7501 -3.7501 1.1716 1.1729 1.6727 1.6821 1.7536 1.7798 1.8855 1.9516 2.0128 2.0404 2.6297 2.6390 3.1324 3.1419 3.1758 3.1784 3.1997 3.2086 3.6242 3.6360 3.6992 3.7054 4.4925 4.4945 4.5344 4.5603 4.5796 4.5831 4.5883 4.6240 4.7498 4.7514 4.7672 4.7737 4.8160 4.8513 4.8687 4.8709 5.1819 5.1981 5.3356 5.3616 5.4302 5.4694 5.6267 5.6595 6.8515 6.8600 7.2441 7.2605 7.3962 7.4095 7.4770 7.4777 8.4900 8.4976 9.5031 9.5057 9.6215 9.6302 10.2071 10.2142 11.1025 11.1163 k =-0.0175 0.0242 0.0299 ( 5885 PWs) bands (ev): -8.3912 -8.3912 -6.3070 -6.3043 -6.2959 -6.2951 -6.2908 -6.2880 -3.7553 -3.7553 1.1715 1.1724 1.7032 1.7053 1.7819 1.7975 1.8770 1.9281 1.9777 2.0006 2.6248 2.6313 3.1364 3.1436 3.1782 3.1810 3.2015 3.2072 3.6347 3.6415 3.7074 3.7104 4.5031 4.5104 4.5302 4.5606 4.5794 4.5833 4.5864 4.6035 4.7436 4.7465 4.7728 4.7735 4.8065 4.8363 4.8674 4.8697 5.1809 5.1920 5.3442 5.3617 5.4417 5.4701 5.6194 5.6435 6.9032 6.9097 7.2494 7.2592 7.4147 7.4215 7.4482 7.4503 8.4694 8.4745 9.5048 9.5062 9.6193 9.6255 10.1836 10.1884 11.0988 11.1082 k =-0.0088 0.0121 0.0150 ( 5881 PWs) bands (ev): -8.3931 -8.3931 -6.3042 -6.3025 -6.2931 -6.2922 -6.2907 -6.2893 -3.7585 -3.7585 1.1715 1.1719 1.7253 1.7275 1.7986 1.8009 1.8879 1.9193 1.9442 1.9636 2.6225 2.6259 3.1396 3.1433 3.1803 3.1820 3.2033 3.2061 3.6410 3.6440 3.7129 3.7140 4.5112 4.5241 4.5299 4.5580 4.5784 4.5828 4.5854 4.5876 4.7404 4.7424 4.7744 4.7773 4.8036 4.8219 4.8675 4.8687 5.1816 5.1872 5.3513 5.3601 5.4523 5.4673 5.6178 5.6307 6.9411 6.9448 7.2469 7.2509 7.4150 7.4155 7.4435 7.4470 8.4574 8.4599 9.5047 9.5053 9.6197 9.6229 10.1698 10.1723 11.0977 11.1025 k = 0.0000 0.0000 0.0000 ( 5863 PWs) bands (ev): -8.3937 -8.3937 -6.3026 -6.3026 -6.2912 -6.2912 -6.2906 -6.2906 -3.7595 -3.7595 1.1716 1.1716 1.7359 1.7359 1.8005 1.8005 1.9130 1.9130 1.9335 1.9335 2.6230 2.6230 3.1419 3.1419 3.1817 3.1817 3.2048 3.2048 3.6440 3.6440 3.7150 3.7150 4.5186 4.5186 4.5469 4.5469 4.5786 4.5786 4.5850 4.5850 4.7402 4.7402 4.7767 4.7767 4.8100 4.8100 4.8680 4.8680 5.1838 5.1838 5.3566 5.3566 5.4611 5.4611 5.6219 5.6219 6.9567 6.9567 7.2451 7.2451 7.4114 7.4114 7.4474 7.4474 8.4542 8.4542 9.5046 9.5046 9.6211 9.6211 10.1660 10.1660 11.0989 11.0989 k = 0.0000 0.0000 0.0000 ( 5863 PWs) bands (ev): -8.3937 -8.3937 -6.3026 -6.3026 -6.2912 -6.2912 -6.2906 -6.2906 -3.7595 -3.7595 1.1716 1.1716 1.7359 1.7359 1.8005 1.8005 1.9130 1.9130 1.9335 1.9335 2.6230 2.6230 3.1419 3.1419 3.1817 3.1817 3.2048 3.2048 3.6440 3.6440 3.7150 3.7150 4.5186 4.5186 4.5469 4.5469 4.5786 4.5786 4.5850 4.5850 4.7402 4.7402 4.7767 4.7767 4.8100 4.8100 4.8680 4.8680 5.1838 5.1838 5.3566 5.3566 5.4611 5.4611 5.6219 5.6219 6.9567 6.9567 7.2451 7.2451 7.4114 7.4114 7.4474 7.4474 8.4542 8.4542 9.5046 9.5046 9.6211 9.6211 10.1660 10.1660 11.0989 11.0989 k = 0.0167 0.0120-0.0000 ( 5863 PWs) bands (ev): -8.3931 -8.3931 -6.3029 -6.3029 -6.2927 -6.2927 -6.2909 -6.2909 -3.7580 -3.7580 1.1719 1.1719 1.7365 1.7365 1.8010 1.8010 1.9135 1.9135 1.9315 1.9315 2.6265 2.6265 3.1412 3.1412 3.1818 3.1818 3.2041 3.2041 3.6439 3.6439 3.7149 3.7149 4.5143 4.5143 4.5473 4.5473 4.5814 4.5814 4.5855 4.5855 4.7418 4.7418 4.7771 4.7771 4.8102 4.8102 4.8678 4.8678 5.1829 5.1829 5.3578 5.3578 5.4620 5.4620 5.6218 5.6218 6.9437 6.9437 7.2460 7.2460 7.4071 7.4071 7.4562 7.4562 8.4545 8.4545 9.5059 9.5059 9.6215 9.6215 10.1669 10.1669 11.0722 11.0722 k = 0.0333 0.0241-0.0000 ( 5887 PWs) bands (ev): -8.3910 -8.3910 -6.3047 -6.3047 -6.2968 -6.2968 -6.2911 -6.2911 -3.7534 -3.7534 1.1728 1.1728 1.7381 1.7381 1.8025 1.8025 1.9135 1.9135 1.9272 1.9272 2.6369 2.6369 3.1390 3.1390 3.1822 3.1822 3.2019 3.2019 3.6439 3.6439 3.7145 3.7145 4.5037 4.5037 4.5480 4.5480 4.5839 4.5839 4.5907 4.5907 4.7463 4.7463 4.7783 4.7783 4.8107 4.8107 4.8672 4.8672 5.1802 5.1802 5.3613 5.3613 5.4646 5.4646 5.6215 5.6215 6.9090 6.9090 7.2447 7.2447 7.3946 7.3946 7.4823 7.4823 8.4554 8.4554 9.5095 9.5095 9.6226 9.6226 10.1697 10.1697 11.0210 11.0210 k = 0.0500 0.0361-0.0000 ( 5898 PWs) bands (ev): -8.3876 -8.3876 -6.3115 -6.3115 -6.2999 -6.2999 -6.2913 -6.2913 -3.7458 -3.7458 1.1744 1.1744 1.7403 1.7403 1.8049 1.8049 1.9074 1.9074 1.9272 1.9272 2.6537 2.6537 3.1349 3.1349 3.1827 3.1827 3.1988 3.1988 3.6439 3.6439 3.7139 3.7139 4.4899 4.4899 4.5487 4.5487 4.5842 4.5842 4.6002 4.6002 4.7533 4.7533 4.7807 4.7807 4.8116 4.8116 4.8661 4.8661 5.1760 5.1760 5.3672 5.3672 5.4690 5.4690 5.6211 5.6211 6.8609 6.8609 7.2360 7.2360 7.3742 7.3742 7.5226 7.5226 8.4569 8.4569 9.5148 9.5148 9.6238 9.6238 10.1742 10.1742 10.9675 10.9675 k = 0.0667 0.0481-0.0000 ( 5910 PWs) bands (ev): -8.3829 -8.3829 -6.3241 -6.3241 -6.3009 -6.3009 -6.2917 -6.2917 -3.7354 -3.7354 1.1768 1.1768 1.7424 1.7424 1.8083 1.8083 1.8955 1.8955 1.9326 1.9326 2.6758 2.6758 3.1286 3.1286 3.1829 3.1829 3.1957 3.1957 3.6438 3.6438 3.7130 3.7130 4.4744 4.4744 4.5495 4.5495 4.5844 4.5844 4.6104 4.6104 4.7615 4.7615 4.7848 4.7848 4.8132 4.8132 4.8649 4.8649 5.1702 5.1702 5.3754 5.3754 5.4751 5.4751 5.6207 5.6207 6.8058 6.8058 7.2182 7.2182 7.3464 7.3464 7.5725 7.5725 8.4590 8.4590 9.5212 9.5212 9.6247 9.6247 10.1806 10.1806 10.9178 10.9178 k = 0.0833 0.0602-0.0000 ( 5910 PWs) bands (ev): -8.3769 -8.3769 -6.3407 -6.3407 -6.3015 -6.3015 -6.2921 -6.2921 -3.7224 -3.7224 1.1800 1.1800 1.7429 1.7429 1.8125 1.8125 1.8824 1.8824 1.9410 1.9410 2.7025 2.7025 3.1195 3.1195 3.1822 3.1822 3.1938 3.1938 3.6437 3.6437 3.7120 3.7120 4.4579 4.4579 4.5506 4.5506 4.5845 4.5845 4.6205 4.6205 4.7694 4.7694 4.7913 4.7913 4.8158 4.8158 4.8637 4.8637 5.1632 5.1632 5.3858 5.3858 5.4829 5.4829 5.6202 5.6202 6.7479 6.7479 7.1923 7.1923 7.3120 7.3120 7.6270 7.6270 8.4616 8.4616 9.5274 9.5274 9.6244 9.6244 10.1887 10.1887 10.8746 10.8746 k = 0.1000 0.0722-0.0000 ( 5910 PWs) bands (ev): -8.3695 -8.3695 -6.3607 -6.3607 -6.3020 -6.3020 -6.2926 -6.2926 -3.7069 -3.7069 1.1843 1.1843 1.7399 1.7399 1.8176 1.8176 1.8713 1.8713 1.9515 1.9515 2.7326 2.7326 3.1072 3.1072 3.1804 3.1804 3.1937 3.1937 3.6436 3.6436 3.7107 3.7107 4.4406 4.4406 4.5518 4.5518 4.5846 4.5846 4.6304 4.6304 4.7759 4.7759 4.7993 4.7993 4.8199 4.8199 4.8634 4.8634 5.1553 5.1553 5.3984 5.3984 5.4924 5.4924 5.6198 5.6198 6.6894 6.6894 7.1596 7.1596 7.2716 7.2716 7.6828 7.6828 8.4647 8.4647 9.5323 9.5323 9.6218 9.6218 10.1988 10.1988 10.8392 10.8392 k = 0.1167 0.0842-0.0000 ( 5906 PWs) bands (ev): -8.3609 -8.3609 -6.3839 -6.3839 -6.3025 -6.3025 -6.2932 -6.2932 -3.6893 -3.6893 1.1898 1.1898 1.7315 1.7315 1.8239 1.8239 1.8647 1.8647 1.9642 1.9642 2.7654 2.7654 3.0914 3.0914 3.1784 3.1784 3.1951 3.1951 3.6436 3.6436 3.7092 3.7092 4.4225 4.4225 4.5533 4.5533 4.5847 4.5847 4.6401 4.6401 4.7812 4.7812 4.8066 4.8066 4.8252 4.8252 4.8655 4.8655 5.1470 5.1470 5.4130 5.4130 5.5034 5.5034 5.6197 5.6197 6.6317 6.6317 7.1212 7.1212 7.2261 7.2261 7.7373 7.7373 8.4684 8.4684 9.5347 9.5347 9.6161 9.6161 10.2109 10.2109 10.8126 10.8126 k = 0.1333 0.0963-0.0000 ( 5910 PWs) bands (ev): -8.3511 -8.3511 -6.4098 -6.4098 -6.3031 -6.3031 -6.2938 -6.2938 -3.6698 -3.6698 1.1966 1.1966 1.7169 1.7169 1.8315 1.8315 1.8633 1.8633 1.9788 1.9788 2.8000 2.8000 3.0723 3.0723 3.1766 3.1766 3.1973 3.1973 3.6435 3.6435 3.7076 3.7076 4.4036 4.4036 4.5549 4.5549 4.5849 4.5849 4.6496 4.6496 4.7861 4.7861 4.8123 4.8123 4.8284 4.8284 4.8725 4.8725 5.1391 5.1391 5.4295 5.4295 5.5156 5.5156 5.6200 5.6200 6.5759 6.5759 7.0781 7.0781 7.1764 7.1764 7.7887 7.7887 8.4727 8.4727 9.5333 9.5333 9.6063 9.6063 10.2252 10.2252 10.7954 10.7954 k = 0.1500 0.1083-0.0000 ( 5898 PWs) bands (ev): -8.3401 -8.3401 -6.4382 -6.4382 -6.3036 -6.3036 -6.2945 -6.2945 -3.6487 -3.6487 1.2048 1.2048 1.6972 1.6972 1.8405 1.8405 1.8664 1.8664 1.9952 1.9952 2.8357 2.8357 3.0501 3.0501 3.1754 3.1754 3.2002 3.2002 3.6434 3.6434 3.7058 3.7058 4.3838 4.3838 4.5568 4.5568 4.5850 4.5850 4.6588 4.6588 4.7908 4.7908 4.8173 4.8173 4.8279 4.8279 4.8844 4.8844 5.1327 5.1327 5.4476 5.4476 5.5286 5.5286 5.6212 5.6212 6.5225 6.5225 7.0311 7.0311 7.1232 7.1232 7.8357 7.8357 8.4778 8.4778 9.5270 9.5270 9.5916 9.5916 10.2421 10.2421 10.7879 10.7879 k = 0.1667 0.1204-0.0000 ( 5890 PWs) bands (ev): -8.3279 -8.3279 -6.4687 -6.4687 -6.3042 -6.3042 -6.2953 -6.2953 -3.6264 -3.6264 1.2147 1.2147 1.6742 1.6742 1.8508 1.8508 1.8725 1.8725 2.0132 2.0132 2.8721 2.8721 3.0251 3.0251 3.1745 3.1745 3.2033 3.2033 3.6433 3.6433 3.7038 3.7038 4.3631 4.3631 4.5590 4.5590 4.5852 4.5852 4.6680 4.6680 4.7953 4.7953 4.8190 4.8190 4.8282 4.8282 4.8978 4.8978 5.1289 5.1289 5.4671 5.4671 5.5418 5.5418 5.6241 5.6241 6.4717 6.4717 6.9809 6.9809 7.0674 7.0674 7.8772 7.8772 8.4839 8.4839 9.5152 9.5152 9.5715 9.5715 10.2617 10.2617 10.7901 10.7901 k = 0.1833 0.1324-0.0000 ( 5890 PWs) bands (ev): -8.3147 -8.3147 -6.5011 -6.5011 -6.3048 -6.3048 -6.2961 -6.2961 -3.6031 -3.6031 1.2263 1.2263 1.6493 1.6493 1.8619 1.8619 1.8807 1.8807 2.0327 2.0327 2.9084 2.9084 2.9978 2.9978 3.1741 3.1741 3.2067 3.2067 3.6433 3.6433 3.7017 3.7017 4.3411 4.3411 4.5613 4.5613 4.5854 4.5854 4.6769 4.6769 4.7993 4.7993 4.8135 4.8135 4.8351 4.8351 4.9102 4.9102 5.1291 5.1291 5.4876 5.4876 5.5542 5.5542 5.6296 5.6296 6.4239 6.4239 6.9282 6.9282 7.0096 7.0096 7.9125 7.9125 8.4913 8.4913 9.4972 9.4972 9.5457 9.5457 10.2845 10.2845 10.8016 10.8016 k = 0.2000 0.1444-0.0000 ( 5890 PWs) bands (ev): -8.3004 -8.3004 -6.5350 -6.5350 -6.3054 -6.3054 -6.2970 -6.2970 -3.5791 -3.5791 1.2399 1.2399 1.6237 1.6237 1.8735 1.8735 1.8903 1.8903 2.0534 2.0534 2.9437 2.9437 2.9691 2.9691 3.1740 3.1740 3.2106 3.2106 3.6432 3.6432 3.6995 3.6995 4.3179 4.3179 4.5638 4.5638 4.5857 4.5857 4.6856 4.6856 4.8027 4.8027 4.8052 4.8052 4.8452 4.8452 4.9196 4.9196 5.1347 5.1347 5.5083 5.5083 5.5653 5.5653 5.6388 5.6388 6.3791 6.3791 6.8737 6.8737 6.9506 6.9506 7.9410 7.9410 8.5003 8.5003 9.4729 9.4729 9.5143 9.5143 10.3103 10.3103 10.8218 10.8218 k = 0.2167 0.1565-0.0000 ( 5886 PWs) bands (ev): -8.2853 -8.2853 -6.5701 -6.5701 -6.3061 -6.3061 -6.2979 -6.2979 -3.5548 -3.5548 1.2553 1.2553 1.5980 1.5980 1.8854 1.8854 1.9008 1.9008 2.0747 2.0747 2.9360 2.9360 2.9807 2.9807 3.1743 3.1743 3.2147 3.2147 3.6432 3.6432 3.6973 3.6973 4.2931 4.2931 4.5665 4.5665 4.5860 4.5860 4.6939 4.6939 4.7954 4.7954 4.8059 4.8059 4.8576 4.8576 4.9255 4.9255 5.1459 5.1459 5.5274 5.5274 5.5759 5.5759 5.6523 5.6523 6.3373 6.3373 6.8179 6.8179 6.8909 6.8909 7.9626 7.9626 8.5110 8.5110 9.4426 9.4426 9.4775 9.4775 10.3393 10.3393 10.8500 10.8500 k = 0.2333 0.1685-0.0000 ( 5878 PWs) bands (ev): -8.2692 -8.2692 -6.6061 -6.6061 -6.3067 -6.3067 -6.2988 -6.2988 -3.5304 -3.5304 1.2728 1.2728 1.5728 1.5728 1.8973 1.8973 1.9120 1.9120 2.0964 2.0964 2.9037 2.9037 3.0145 3.0145 3.1748 3.1748 3.2192 3.2192 3.6433 3.6433 3.6950 3.6950 4.2669 4.2669 4.5693 4.5693 4.5864 4.5864 4.7018 4.7018 4.7847 4.7847 4.8087 4.8087 4.8719 4.8719 4.9281 4.9281 5.1626 5.1626 5.5417 5.5417 5.5894 5.5894 5.6696 5.6696 6.2983 6.2983 6.7614 6.7614 6.8313 6.8313 7.9774 7.9774 8.5238 8.5238 9.4068 9.4068 9.4359 9.4359 10.3710 10.3710 10.8852 10.8852 k = 0.2500 0.1805-0.0000 ( 5866 PWs) bands (ev): -8.2525 -8.2525 -6.6426 -6.6426 -6.3074 -6.3074 -6.2998 -6.2998 -3.5063 -3.5063 1.2923 1.2923 1.5484 1.5484 1.9092 1.9092 1.9234 1.9234 2.1178 2.1178 2.8704 2.8704 3.0470 3.0470 3.1756 3.1756 3.2242 3.2242 3.6433 3.6433 3.6926 3.6926 4.2390 4.2390 4.5722 4.5722 4.5871 4.5871 4.7089 4.7089 4.7739 4.7739 4.8114 4.8114 4.8877 4.8877 4.9284 4.9284 5.1835 5.1835 5.5491 5.5491 5.6084 5.6084 5.6897 5.6897 6.2620 6.2620 6.7048 6.7048 6.7721 6.7721 7.9857 7.9857 8.5385 8.5385 9.3661 9.3661 9.3902 9.3902 10.4051 10.4051 10.9265 10.9265 k = 0.2667 0.1926-0.0000 ( 5866 PWs) bands (ev): -8.2351 -8.2351 -6.6793 -6.6793 -6.3080 -6.3080 -6.3007 -6.3007 -3.4825 -3.4825 1.3138 1.3138 1.5253 1.5253 1.9209 1.9209 1.9350 1.9350 2.1381 2.1381 2.8370 2.8370 3.0776 3.0776 3.1767 3.1767 3.2296 3.2296 3.6435 3.6435 3.6902 3.6902 4.2097 4.2097 4.5749 4.5749 4.5879 4.5879 4.7150 4.7150 4.7637 4.7637 4.8140 4.8140 4.9039 4.9039 4.9283 4.9283 5.2077 5.2077 5.5513 5.5513 5.6317 5.6317 5.7118 5.7118 6.2283 6.2283 6.6485 6.6485 6.7139 6.7139 7.9884 7.9884 8.5550 8.5550 9.3216 9.3216 9.3415 9.3415 10.4407 10.4407 10.9724 10.9724 k = 0.2833 0.2046-0.0000 ( 5878 PWs) bands (ev): -8.2173 -8.2173 -6.7159 -6.7159 -6.3087 -6.3087 -6.3017 -6.3017 -3.4594 -3.4594 1.3369 1.3369 1.5039 1.5039 1.9323 1.9323 1.9465 1.9465 2.1567 2.1567 2.8042 2.8042 3.1061 3.1061 3.1780 3.1780 3.2355 3.2355 3.6436 3.6436 3.6878 3.6878 4.1789 4.1789 4.5774 4.5774 4.5890 4.5890 4.7187 4.7187 4.7556 4.7556 4.8167 4.8167 4.9149 4.9149 4.9337 4.9337 5.2339 5.2339 5.5505 5.5505 5.6570 5.6570 5.7350 5.7350 6.1970 6.1970 6.5931 6.5931 6.6571 6.6571 7.9864 7.9864 8.5731 8.5731 9.2743 9.2743 9.2905 9.2905 10.4772 10.4772 11.0214 11.0214 k = 0.3000 0.2166-0.0000 ( 5874 PWs) bands (ev): -8.1992 -8.1992 -6.7520 -6.7520 -6.3093 -6.3093 -6.3026 -6.3026 -3.4373 -3.4373 1.3609 1.3609 1.4851 1.4851 1.9434 1.9434 1.9578 1.9578 2.1724 2.1724 2.7732 2.7732 3.1317 3.1317 3.1796 3.1796 3.2422 3.2422 3.6439 3.6439 3.6853 3.6853 4.1471 4.1471 4.5796 4.5796 4.5906 4.5906 4.7182 4.7182 4.7519 4.7519 4.8193 4.8193 4.9157 4.9157 4.9501 4.9501 5.2613 5.2613 5.5480 5.5480 5.6834 5.6834 5.7591 5.7591 6.1680 6.1680 6.5390 6.5390 6.6022 6.6022 7.9805 7.9805 8.5922 8.5922 9.2252 9.2252 9.2385 9.2385 10.5137 10.5137 11.0715 11.0715 k = 0.3167 0.2287-0.0000 ( 5878 PWs) bands (ev): -8.1810 -8.1810 -6.7874 -6.7874 -6.3099 -6.3099 -6.3035 -6.3035 -3.4162 -3.4162 1.3839 1.3839 1.4711 1.4711 1.9539 1.9539 1.9685 1.9685 2.1840 2.1840 2.7449 2.7449 3.1540 3.1540 3.1819 3.1819 3.2498 3.2498 3.6442 3.6442 3.6830 3.6830 4.1145 4.1145 4.5812 4.5812 4.5927 4.5927 4.7130 4.7130 4.7534 4.7534 4.8220 4.8220 4.9135 4.9135 4.9702 4.9702 5.2892 5.2892 5.5446 5.5446 5.7101 5.7101 5.7834 5.7834 6.1410 6.1410 6.4869 6.4869 6.5494 6.5494 7.9718 7.9718 8.6121 8.6121 9.1756 9.1756 9.1862 9.1862 10.5493 10.5493 11.1203 11.1203 k = 0.3333 0.2407-0.0000 ( 5874 PWs) bands (ev): -8.1628 -8.1628 -6.8216 -6.8216 -6.3104 -6.3104 -6.3044 -6.3044 -3.3964 -3.3964 1.3995 1.3995 1.4680 1.4680 1.9637 1.9637 1.9787 1.9787 2.1904 2.1904 2.7206 2.7206 3.1709 3.1709 3.1863 3.1863 3.2586 3.2586 3.6446 3.6446 3.6807 3.6807 4.0816 4.0816 4.5824 4.5824 4.5953 4.5953 4.7057 4.7057 4.7576 4.7576 4.8248 4.8248 4.9109 4.9109 4.9913 4.9913 5.3168 5.3168 5.5404 5.5404 5.7364 5.7364 5.8076 5.8076 6.1159 6.1159 6.4371 6.4371 6.4991 6.4991 7.9613 7.9613 8.6322 8.6322 9.1263 9.1263 9.1348 9.1348 10.5833 10.5833 11.1652 11.1652 k = 0.3500 0.2527-0.0000 ( 5874 PWs) bands (ev): -8.1450 -8.1450 -6.8543 -6.8543 -6.3109 -6.3109 -6.3052 -6.3052 -3.3780 -3.3780 1.4005 1.4005 1.4833 1.4833 1.9725 1.9725 1.9880 1.9880 2.1905 2.1905 2.7015 2.7015 3.1790 3.1790 3.1961 3.1961 3.2685 3.2685 3.6451 3.6451 3.6784 3.6784 4.0490 4.0490 4.5833 4.5833 4.5981 4.5981 4.6980 4.6980 4.7629 4.7629 4.8276 4.8276 4.9084 4.9084 5.0127 5.0127 5.3439 5.3439 5.5359 5.5359 5.7622 5.7622 5.8314 5.8314 6.0928 6.0928 6.3902 6.3902 6.4515 6.4515 7.9495 7.9496 8.6521 8.6521 9.0786 9.0786 9.0851 9.0851 10.6147 10.6147 11.2036 11.2036 k = 0.3667 0.2648-0.0000 ( 5878 PWs) bands (ev): -8.1278 -8.1278 -6.8852 -6.8852 -6.3114 -6.3114 -6.3060 -6.3060 -3.3612 -3.3612 1.3921 1.3921 1.5115 1.5115 1.9802 1.9802 1.9965 1.9965 2.1838 2.1838 2.6882 2.6882 3.1821 3.1821 3.2073 3.2073 3.2794 3.2794 3.6457 3.6457 3.6762 3.6762 4.0171 4.0171 4.5840 4.5840 4.6009 4.6009 4.6907 4.6907 4.7684 4.7684 4.8303 4.8303 4.9062 4.9062 5.0337 5.0337 5.3697 5.3697 5.5312 5.5312 5.7868 5.7868 5.8542 5.8542 6.0714 6.0714 6.3467 6.3467 6.4071 6.4071 7.9374 7.9374 8.6714 8.6714 9.0331 9.0331 9.0381 9.0381 10.6430 10.6430 11.2319 11.2319 k = 0.3833 0.2768-0.0000 ( 5870 PWs) bands (ev): -8.1115 -8.1115 -6.9137 -6.9137 -6.3118 -6.3118 -6.3067 -6.3067 -3.3461 -3.3461 1.3815 1.3815 1.5453 1.5453 1.9862 1.9862 2.0040 2.0040 2.1704 2.1704 2.6807 2.6807 3.1842 3.1842 3.2168 3.2168 3.2906 3.2906 3.6464 3.6464 3.6741 3.6741 3.9866 3.9866 4.5845 4.5845 4.6037 4.6037 4.6842 4.6842 4.7738 4.7738 4.8331 4.8331 4.9043 4.9043 5.0540 5.0540 5.3937 5.3937 5.5267 5.5267 5.8101 5.8101 5.8758 5.8758 6.0519 6.0519 6.3072 6.3072 6.3659 6.3659 7.9255 7.9255 8.6895 8.6895 8.9910 8.9910 8.9945 8.9945 10.6674 10.6674 11.1678 11.1678 k = 0.4000 0.2888-0.0000 ( 5890 PWs) bands (ev): -8.0964 -8.0964 -6.9396 -6.9396 -6.3122 -6.3122 -6.3073 -6.3073 -3.3328 -3.3328 1.3711 1.3711 1.5820 1.5820 1.9896 1.9896 2.0103 2.0103 2.1519 2.1519 2.6782 2.6782 3.1857 3.1857 3.2241 3.2241 3.3015 3.3015 3.6471 3.6471 3.6721 3.6721 3.9582 3.9582 4.5850 4.5850 4.6062 4.6062 4.6784 4.6784 4.7787 4.7787 4.8356 4.8356 4.9028 4.9028 5.0731 5.0731 5.4155 5.4155 5.5226 5.5226 5.8314 5.8314 5.8958 5.8958 6.0344 6.0344 6.2722 6.2722 6.3283 6.3283 7.9143 7.9143 8.7062 8.7062 8.9529 8.9529 8.9552 8.9552 10.6875 10.6875 11.1064 11.1064 k = 0.4167 0.3009-0.0000 ( 5894 PWs) bands (ev): -8.0829 -8.0829 -6.9624 -6.9624 -6.3125 -6.3125 -6.3079 -6.3079 -3.3214 -3.3214 1.3619 1.3619 1.6204 1.6204 1.9891 1.9891 2.0157 2.0157 2.1308 2.1308 2.6795 2.6795 3.1871 3.1871 3.2298 3.2298 3.3114 3.3114 3.6480 3.6480 3.6703 3.6703 3.9326 3.9326 4.5853 4.5853 4.6085 4.6085 4.6737 4.6737 4.7831 4.7831 4.8380 4.8380 4.9017 4.9017 5.0905 5.0905 5.4341 5.4341 5.5194 5.5194 5.8506 5.8506 5.9136 5.9136 6.0190 6.0190 6.2423 6.2423 6.2944 6.2944 7.9042 7.9042 8.7209 8.7209 8.9195 8.9195 8.9207 8.9207 10.7034 10.7034 11.0538 11.0538 k = 0.4333 0.3129-0.0000 ( 5894 PWs) bands (ev): -8.0712 -8.0712 -6.9817 -6.9817 -6.3127 -6.3127 -6.3083 -6.3083 -3.3120 -3.3120 1.3541 1.3541 1.6596 1.6596 1.9826 1.9826 2.0201 2.0201 2.1105 2.1105 2.6830 2.6830 3.1883 3.1883 3.2342 3.2342 3.3200 3.3200 3.6488 3.6488 3.6686 3.6686 3.9105 3.9105 4.5857 4.5857 4.6103 4.6103 4.6699 4.6699 4.7868 4.7868 4.8401 4.8401 4.9009 4.9009 5.1056 5.1056 5.4489 5.4489 5.5178 5.5178 5.8671 5.8671 5.9289 5.9289 6.0061 6.0061 6.2183 6.2183 6.2646 6.2646 7.8955 7.8955 8.7332 8.7332 8.8910 8.8910 8.8923 8.8923 10.7153 10.7153 11.0104 11.0104 k = 0.4500 0.3250-0.0000 ( 5906 PWs) bands (ev): -8.0617 -8.0617 -6.9972 -6.9972 -6.3129 -6.3129 -6.3087 -6.3087 -3.3046 -3.3046 1.3479 1.3479 1.6983 1.6983 1.9684 1.9684 2.0235 2.0235 2.0948 2.0948 2.6874 2.6874 3.1892 3.1892 3.2375 3.2375 3.3269 3.3269 3.6497 3.6497 3.6671 3.6671 3.8924 3.8924 4.5859 4.5859 4.6118 4.6118 4.6669 4.6669 4.7897 4.7897 4.8418 4.8418 4.9004 4.9004 5.1180 5.1180 5.4592 5.4592 5.5179 5.5179 5.8805 5.8805 5.9413 5.9413 5.9957 5.9957 6.2007 6.2007 6.2390 6.2390 7.8885 7.8885 8.7428 8.7428 8.8679 8.8679 8.8704 8.8704 10.7236 10.7236 10.9764 10.9764 k = 0.4667 0.3370-0.0000 ( 5906 PWs) bands (ev): -8.0547 -8.0547 -7.0085 -7.0085 -6.3131 -6.3131 -6.3090 -6.3090 -3.2993 -3.2993 1.3435 1.3435 1.7344 1.7344 1.9477 1.9477 2.0260 2.0260 2.0850 2.0850 2.6915 2.6915 3.1899 3.1899 3.2397 3.2397 3.3319 3.3319 3.6505 3.6505 3.6659 3.6659 3.8790 3.8790 4.5861 4.5861 4.6129 4.6129 4.6649 4.6649 4.7918 4.7918 4.8431 4.8431 4.9001 4.9001 5.1272 5.1272 5.4652 5.4652 5.5196 5.5196 5.8903 5.8903 5.9504 5.9504 5.9880 5.9880 6.1900 6.1900 6.2182 6.2182 7.8833 7.8833 8.7495 8.7495 8.8511 8.8511 8.8550 8.8550 10.7289 10.7289 10.9519 10.9519 k = 0.4833 0.3490-0.0000 ( 5898 PWs) bands (ev): -8.0504 -8.0504 -7.0154 -7.0154 -6.3131 -6.3131 -6.3091 -6.3091 -3.2961 -3.2961 1.3408 1.3408 1.7633 1.7633 1.9269 1.9269 2.0276 2.0276 2.0802 2.0802 2.6943 2.6943 3.1903 3.1903 3.2411 3.2411 3.3350 3.3350 3.6511 3.6511 3.6651 3.6651 3.8708 3.8708 4.5862 4.5862 4.6136 4.6136 4.6637 4.6637 4.7932 4.7932 4.8440 4.8440 4.9000 4.9000 5.1329 5.1329 5.4680 5.4680 5.5214 5.5214 5.8963 5.8963 5.9562 5.9562 5.9832 5.9832 6.1861 6.1861 6.2029 6.2029 7.8802 7.8802 8.7533 8.7533 8.8408 8.8408 8.8459 8.8459 10.7318 10.7318 10.9372 10.9372 k = 0.5000 0.3611-0.0000 ( 5910 PWs) bands (ev): -8.0489 -8.0489 -7.0178 -7.0178 -6.3132 -6.3132 -6.3092 -6.3092 -3.2951 -3.2951 1.3399 1.3399 1.7753 1.7753 1.9173 1.9173 2.0281 2.0281 2.0788 2.0788 2.6953 2.6953 3.1905 3.1905 3.2415 3.2415 3.3360 3.3360 3.6513 3.6513 3.6648 3.6648 3.8680 3.8680 4.5862 4.5862 4.6138 4.6138 4.6633 4.6633 4.7936 4.7936 4.8442 4.8442 4.8999 4.8999 5.1348 5.1348 5.4688 5.4688 5.5222 5.5222 5.8983 5.8983 5.9583 5.9583 5.9815 5.9815 6.1867 6.1867 6.1959 6.1959 7.8791 7.8791 8.7545 8.7545 8.8374 8.8374 8.8429 8.8429 10.7327 10.7327 10.9323 10.9323 k = 0.5000 0.3611-0.0000 ( 5910 PWs) bands (ev): -8.0489 -8.0489 -7.0178 -7.0178 -6.3132 -6.3132 -6.3092 -6.3092 -3.2951 -3.2951 1.3399 1.3399 1.7753 1.7753 1.9173 1.9173 2.0281 2.0281 2.0788 2.0788 2.6953 2.6953 3.1905 3.1905 3.2415 3.2415 3.3360 3.3360 3.6513 3.6513 3.6648 3.6648 3.8680 3.8680 4.5862 4.5862 4.6138 4.6138 4.6633 4.6633 4.7936 4.7936 4.8442 4.8442 4.8999 4.8999 5.1348 5.1348 5.4688 5.4688 5.5222 5.5222 5.8983 5.8983 5.9583 5.9583 5.9815 5.9815 6.1867 6.1867 6.1959 6.1959 7.8791 7.8791 8.7545 8.7545 8.8374 8.8374 8.8429 8.8429 10.7327 10.7327 10.9323 10.9323 k = 0.4912 0.3732 0.0150 ( 5906 PWs) bands (ev): -8.0486 -8.0486 -7.0174 -7.0171 -6.3140 -6.3138 -6.3098 -6.3096 -3.2946 -3.2943 1.3405 1.3416 1.7688 1.7773 1.9079 1.9248 2.0230 2.0322 2.0710 2.0856 2.6943 2.6998 3.1898 3.1903 3.2392 3.2431 3.3312 3.3403 3.6489 3.6514 3.6640 3.6643 3.8689 3.8711 4.5853 4.5871 4.5980 4.6288 4.6602 4.6670 4.7840 4.7988 4.8314 4.8629 4.8970 4.9040 5.1331 5.1374 5.4623 5.4739 5.5188 5.5220 5.8965 5.9008 5.9559 5.9605 5.9717 5.9814 6.1858 6.1879 6.1979 6.2007 7.8786 7.8812 8.7585 8.7587 8.8381 8.8400 8.8445 8.8463 10.7336 10.7378 10.9349 10.9354 k = 0.4824 0.3854 0.0301 ( 5904 PWs) bands (ev): -8.0477 -8.0477 -7.0159 -7.0154 -6.3170 -6.3168 -6.3107 -6.3099 -3.2929 -3.2923 1.3435 1.3456 1.7580 1.7744 1.8969 1.9302 2.0170 2.0353 2.0628 2.0912 2.6968 2.7077 3.1883 3.1894 3.2363 3.2440 3.3262 3.3442 3.6446 3.6491 3.6620 3.6624 3.8737 3.8780 4.5814 4.5849 4.5879 4.6421 4.6575 4.6720 4.7688 4.8026 4.8261 4.8834 4.8962 4.9096 5.1322 5.1406 5.4546 5.4774 5.5118 5.5185 5.8949 5.9038 5.9512 5.9563 5.9603 5.9743 6.1786 6.1825 6.2126 6.2173 7.8796 7.8847 8.7704 8.7709 8.8408 8.8431 8.8525 8.8575 10.7404 10.7488 10.9435 10.9445 k = 0.4736 0.3976 0.0451 ( 5900 PWs) bands (ev): -8.0463 -8.0461 -7.0134 -7.0126 -6.3229 -6.3227 -6.3111 -6.3097 -3.2901 -3.2891 1.3487 1.3520 1.7434 1.7668 1.8844 1.9330 2.0102 2.0371 2.0548 2.0954 2.7028 2.7188 3.1860 3.1877 3.2328 3.2439 3.3210 3.3476 3.6387 3.6444 3.6584 3.6595 3.8822 3.8885 4.5659 4.5836 4.5886 4.6523 4.6548 4.6791 4.7509 4.8068 4.8258 4.8922 4.9084 4.9165 5.1321 5.1447 5.4459 5.4792 5.5017 5.5122 5.8920 5.9058 5.9293 5.9493 5.9544 5.9727 6.1653 6.1712 6.2371 6.2419 7.8819 7.8895 8.7891 8.7906 8.8455 8.8470 8.8678 8.8764 10.7528 10.7651 10.9581 10.9595 k = 0.4648 0.4098 0.0601 ( 5892 PWs) bands (ev): -8.0442 -8.0440 -7.0098 -7.0088 -6.3314 -6.3312 -6.3112 -6.3092 -3.2862 -3.2849 1.3563 1.3607 1.7255 1.7546 1.8706 1.9324 2.0029 2.0374 2.0478 2.0983 2.7118 2.7328 3.1828 3.1853 3.2288 3.2428 3.3157 3.3506 3.6315 3.6378 3.6532 3.6558 3.8941 3.9022 4.5506 4.5826 4.5890 4.6522 4.6591 4.6876 4.7341 4.8121 4.8280 4.8927 4.9246 4.9290 5.1331 5.1495 5.4366 5.4791 5.4894 5.5039 5.8856 5.8989 5.9096 5.9316 5.9566 5.9769 6.1473 6.1555 6.2676 6.2715 7.8854 7.8957 8.8109 8.8159 8.8536 8.8565 8.8894 8.9023 10.7704 10.7862 10.9790 10.9805 k = 0.4560 0.4220 0.0752 ( 5888 PWs) bands (ev): -8.0416 -8.0414 -7.0053 -7.0040 -6.3422 -6.3420 -6.3110 -6.3085 -3.2813 -3.2797 1.3661 1.3716 1.7047 1.7384 1.8555 1.9277 1.9955 2.0362 2.0421 2.0999 2.7237 2.7491 3.1787 3.1821 3.2241 3.2404 3.3106 3.3530 3.6231 3.6296 3.6467 3.6509 3.9092 3.9188 4.5359 4.5816 4.5892 4.6495 4.6635 4.6918 4.7240 4.8188 4.8317 4.8935 4.9338 4.9483 5.1351 5.1551 5.4268 5.4736 5.4794 5.4947 5.8721 5.8729 5.9044 5.9145 5.9622 5.9835 6.1254 6.1362 6.3020 6.3044 7.8901 7.9029 8.8268 8.8387 8.8703 8.8823 8.9166 8.9351 10.7924 10.8114 11.0064 11.0079 k = 0.4472 0.4342 0.0902 ( 5892 PWs) bands (ev): -8.0385 -8.0383 -6.9996 -6.9981 -6.3551 -6.3550 -6.3108 -6.3077 -3.2755 -3.2736 1.3781 1.3848 1.6816 1.7186 1.8394 1.9180 1.9888 2.0334 2.0378 2.1003 2.7380 2.7674 3.1739 3.1784 3.2188 3.2366 3.3057 3.3549 3.6138 3.6201 3.6389 3.6448 3.9271 3.9379 4.5222 4.5806 4.5892 4.6467 4.6665 4.6841 4.7275 4.8269 4.8362 4.8949 4.9436 4.9652 5.1382 5.1615 5.4170 5.4591 5.4759 5.4854 5.8427 5.8534 5.8968 5.8995 5.9701 5.9912 6.1013 6.1148 6.3388 6.3396 7.8956 7.9110 8.8354 8.8497 8.9051 8.9239 8.9492 8.9749 10.8183 10.8398 11.0404 11.0418 k = 0.4384 0.4464 0.1052 ( 5882 PWs) bands (ev): -8.0350 -8.0347 -6.9930 -6.9912 -6.3700 -6.3698 -6.3104 -6.3068 -3.2690 -3.2669 1.3921 1.4000 1.6566 1.6961 1.8224 1.9038 1.9829 2.0289 2.0348 2.0999 2.7543 2.7873 3.1683 3.1741 3.2128 3.2314 3.3013 3.3563 3.6037 3.6096 3.6300 3.6376 3.9474 3.9594 4.5095 4.5796 4.5888 4.6437 4.6688 4.6713 4.7377 4.8363 4.8417 4.8970 4.9539 4.9791 5.1423 5.1687 5.4074 5.4438 5.4719 5.4768 5.8131 5.8300 5.8848 5.8858 5.9771 5.9965 6.0788 6.0945 6.3764 6.3772 7.9016 7.9197 8.8414 8.8562 8.9490 8.9732 8.9893 9.0224 10.8473 10.8708 11.0812 11.0823 k = 0.4296 0.4586 0.1203 ( 5870 PWs) bands (ev): -8.0311 -8.0307 -6.9854 -6.9833 -6.3867 -6.3864 -6.3099 -6.3059 -3.2621 -3.2596 1.4080 1.4172 1.6299 1.6715 1.8047 1.8859 1.9772 2.0230 2.0329 2.0986 2.7721 2.8082 3.1621 3.1693 3.2061 3.2247 3.2973 3.3573 3.5932 3.5983 3.6202 3.6294 3.9700 3.9827 4.4981 4.5785 4.5880 4.6406 4.6586 4.6706 4.7488 4.8468 4.8482 4.9000 4.9643 4.9898 5.1468 5.1765 5.3984 5.4288 5.4671 5.4696 5.7837 5.8052 5.8685 5.8717 5.9770 5.9903 6.0674 6.0812 6.4143 6.4165 7.9080 7.9288 8.8467 8.8618 8.9962 9.0177 9.0463 9.0783 10.8789 10.9037 11.1287 11.1295 k = 0.4208 0.4707 0.1353 ( 5880 PWs) bands (ev): -8.0268 -8.0265 -6.9768 -6.9745 -6.4048 -6.4045 -6.3094 -6.3049 -3.2547 -3.2520 1.4253 1.4362 1.6021 1.6455 1.7866 1.8653 1.9712 2.0155 2.0320 2.0968 2.7908 2.8295 3.1552 3.1640 3.1986 3.2165 3.2936 3.3579 3.5823 3.5864 3.6097 3.6202 3.9945 4.0078 4.4879 4.5773 4.5865 4.6372 4.6477 4.6717 4.7593 4.8558 4.8580 4.9041 4.9745 4.9972 5.1513 5.1847 5.3900 5.4147 5.4619 5.4642 5.7549 5.7805 5.8502 5.8548 5.9633 5.9665 6.0734 6.0818 6.4525 6.4561 7.9145 7.9380 8.8519 8.8671 9.0442 9.0595 9.1158 9.1431 10.9126 10.9383 11.1827 11.1834 k = 0.4120 0.4829 0.1503 ( 5884 PWs) bands (ev): -8.0223 -8.0220 -6.9673 -6.9647 -6.4242 -6.4239 -6.3087 -6.3038 -3.2473 -3.2443 1.4435 1.4567 1.5736 1.6193 1.7684 1.8428 1.9643 2.0068 2.0320 2.0946 2.8100 2.8508 3.1477 3.1583 3.1903 3.2070 3.2903 3.3583 3.5711 3.5739 3.5984 3.6101 4.0208 4.0344 4.4792 4.5760 4.5844 4.6337 4.6390 4.6724 4.7685 4.8646 4.8692 4.9099 4.9846 5.0018 5.1552 5.1933 5.3827 5.4017 5.4567 5.4609 5.7270 5.7567 5.8300 5.8355 5.9323 5.9372 6.0898 6.0953 6.4908 6.4953 7.9206 7.9470 8.8572 8.8721 9.0919 9.1019 9.1932 9.2162 10.9481 10.9743 11.2431 11.2439 k = 0.4032 0.4951 0.1654 ( 5888 PWs) bands (ev): -8.0177 -8.0173 -6.9568 -6.9540 -6.4446 -6.4442 -6.3080 -6.3026 -3.2398 -3.2367 1.4609 1.4780 1.5450 1.5948 1.7503 1.8191 1.9564 1.9968 2.0330 2.0924 2.8290 2.8714 3.1398 3.1523 3.1812 3.1968 3.2872 3.3585 3.5599 3.5611 3.5867 3.5993 4.0485 4.0621 4.4718 4.5746 4.5818 4.6300 4.6325 4.6726 4.7761 4.8745 4.8794 4.9182 4.9946 5.0038 5.1580 5.2018 5.3763 5.3902 5.4519 5.4597 5.7004 5.7346 5.8081 5.8140 5.8938 5.9046 6.1112 6.1162 6.5284 6.5339 7.9262 7.9556 8.8627 8.8769 9.1386 9.1444 9.2770 9.2966 10.9851 11.0115 11.3095 11.3108 k = 0.3944 0.5073 0.1804 ( 5894 PWs) bands (ev): -8.0131 -8.0127 -6.9455 -6.9425 -6.4657 -6.4653 -6.3073 -6.3014 -3.2327 -3.2293 1.4733 1.4951 1.5210 1.5764 1.7331 1.7947 1.9475 1.9858 2.0349 2.0903 2.8473 2.8908 3.1315 3.1457 3.1713 3.1861 3.2842 3.3586 3.5477 3.5490 3.5745 3.5880 4.0774 4.0907 4.4659 4.5730 4.5790 4.6264 4.6283 4.6723 4.7819 4.8851 4.8879 4.9295 5.0037 5.0047 5.1594 5.2101 5.3710 5.3802 5.4479 5.4603 5.6753 5.7145 5.7851 5.7905 5.8532 5.8692 6.1355 6.1413 6.5650 6.5712 7.9308 7.9633 8.8684 8.8815 9.1839 9.1865 9.3664 9.3833 11.0234 11.0497 11.3818 11.3841 k = 0.3856 0.5195 0.1954 ( 5890 PWs) bands (ev): -8.0085 -8.0081 -6.9333 -6.9300 -6.4873 -6.4868 -6.3064 -6.3002 -3.2259 -3.2223 1.4727 1.4794 1.5296 1.5724 1.7176 1.7700 1.9375 1.9739 2.0378 2.0886 2.8639 2.9081 3.1229 3.1380 3.1610 3.1763 3.2812 3.3589 3.5345 3.5381 3.5621 3.5762 4.1073 4.1199 4.4615 4.5712 4.5764 4.6228 4.6261 4.6716 4.7864 4.8948 4.8958 4.9433 5.0020 5.0150 5.1596 5.2179 5.3666 5.3716 5.4452 5.4622 5.6518 5.6968 5.7613 5.7651 5.8123 5.8334 6.1617 6.1689 6.6001 6.6069 7.9343 7.9699 8.8746 8.8860 9.2271 9.2273 9.4604 9.4751 11.0627 11.0888 11.4597 11.4634 k = 0.3768 0.5317 0.2105 ( 5882 PWs) bands (ev): -8.0041 -8.0037 -6.9203 -6.9168 -6.5090 -6.5085 -6.3056 -6.2989 -3.2199 -3.2160 1.4509 1.4567 1.5492 1.5850 1.7056 1.7456 1.9267 1.9612 2.0417 2.0876 2.8783 2.9227 3.1138 3.1281 3.1508 3.1688 3.2782 3.3594 3.5213 3.5276 3.5495 3.5641 4.1378 4.1494 4.4586 4.5693 4.5743 4.6194 4.6255 4.6704 4.7895 4.9007 4.9060 4.9582 4.9995 5.0258 5.1586 5.2249 5.3631 5.3645 5.4441 5.4650 5.6302 5.6817 5.7367 5.7375 5.7727 5.7993 6.1892 6.1981 6.6331 6.6403 7.9363 7.9751 8.8811 8.8904 9.2660 9.2676 9.5580 9.5708 11.1028 11.1285 11.5430 11.5487 k = 0.3680 0.5439 0.2255 ( 5874 PWs) bands (ev): -8.0001 -7.9996 -6.9065 -6.9027 -6.5306 -6.5300 -6.3047 -6.2976 -3.2146 -3.2106 1.4216 1.4322 1.5652 1.6070 1.7000 1.7221 1.9150 1.9480 2.0467 2.0874 2.8897 2.9335 3.1038 3.1151 3.1417 3.1652 3.2752 3.3603 3.5082 3.5175 3.5369 3.5520 4.1686 4.1788 4.4573 4.5672 4.5731 4.6164 4.6264 4.6691 4.7914 4.9059 4.9151 4.9707 4.9989 5.0370 5.1569 5.2311 5.3585 5.3601 5.4446 5.4677 5.6102 5.6690 5.7077 5.7096 5.7382 5.7688 6.2174 6.2280 6.6637 6.6712 7.9366 7.9786 8.8883 8.8950 9.3019 9.3049 9.6583 9.6695 11.1435 11.1686 11.6314 11.6397 k = 0.3592 0.5561 0.2405 ( 5877 PWs) bands (ev): -7.9965 -7.9960 -6.8919 -6.8879 -6.5517 -6.5511 -6.3037 -6.2963 -3.2103 -3.2061 1.3924 1.4045 1.5729 1.6311 1.7017 1.7044 1.9028 1.9347 2.0530 2.0883 2.8973 2.9397 3.0920 3.0990 3.1350 3.1657 3.2722 3.3616 3.4953 3.5081 3.5242 3.5398 4.1992 4.2075 4.4575 4.5650 4.5728 4.6137 4.6287 4.6676 4.7922 4.9109 4.9229 4.9740 5.0062 5.0485 5.1548 5.2362 5.3534 5.3576 5.4467 5.4693 5.5915 5.6581 5.6764 5.6777 5.7137 5.7430 6.2457 6.2580 6.6913 6.6991 7.9350 7.9800 8.8964 8.9000 9.3345 9.3383 9.7601 9.7698 11.1844 11.2088 11.7246 11.7360 k = 0.3504 0.5682 0.2556 ( 5885 PWs) bands (ev): -7.9935 -7.9931 -6.8766 -6.8724 -6.5722 -6.5715 -6.3028 -6.2950 -3.2071 -3.2029 1.3637 1.3757 1.5709 1.6448 1.6950 1.7195 1.8902 1.9218 2.0606 2.0906 2.9009 2.9410 3.0777 3.0805 3.1316 3.1699 3.2692 3.3635 3.4828 3.4994 3.5117 3.5279 4.2292 4.2353 4.4595 4.5627 4.5737 4.6116 4.6325 4.6662 4.7918 4.9157 4.9294 4.9687 5.0204 5.0598 5.1526 5.2405 5.3489 5.3552 5.4501 5.4687 5.5732 5.6440 5.6458 5.6483 5.6993 5.7226 6.2737 6.2876 6.7157 6.7236 7.9314 7.9792 8.9054 8.9056 9.3633 9.3675 9.8621 9.8704 11.2254 11.2489 11.8211 11.8375 k = 0.3416 0.5804 0.2706 ( 5879 PWs) bands (ev): -7.9913 -7.9909 -6.8607 -6.8563 -6.5916 -6.5908 -6.3018 -6.2937 -3.2052 -3.2009 1.3357 1.3468 1.5620 1.6344 1.7145 1.7416 1.8778 1.9102 2.0699 2.0944 2.9005 2.9374 3.0600 3.0612 3.1312 3.1770 3.2664 3.3660 3.4706 3.4916 3.4993 3.5163 4.2581 4.2616 4.4633 4.5605 4.5755 4.6101 4.6376 4.6654 4.7905 4.9205 4.9348 4.9599 5.0360 5.0704 5.1509 5.2443 5.3445 5.3528 5.4539 5.4640 5.5538 5.6148 5.6194 5.6374 5.6939 5.7080 6.3007 6.3161 6.7363 6.7443 7.9259 7.9761 8.9123 8.9157 9.3881 9.3922 9.9629 9.9698 11.2660 11.2884 11.9131 11.9424 k = 0.3328 0.5926 0.2856 ( 5879 PWs) bands (ev): -7.9900 -7.9896 -6.8441 -6.8395 -6.6098 -6.6089 -6.3008 -6.2924 -3.2047 -3.2003 1.3086 1.3183 1.5494 1.6150 1.7434 1.7656 1.8669 1.9021 2.0808 2.1001 2.8964 2.9293 3.0379 3.0428 3.1329 3.1861 3.2640 3.3687 3.4589 3.4847 3.4875 3.5053 4.2852 4.2861 4.4692 4.5582 4.5780 4.6093 4.6432 4.6662 4.7882 4.9250 4.9394 4.9493 5.0509 5.0795 5.1497 5.2478 5.3400 5.3499 5.4534 5.4562 5.5319 5.5917 5.6009 5.6279 5.6962 5.6997 6.3262 6.3429 6.7528 6.7608 7.9186 7.9706 8.9204 8.9275 9.4087 9.4126 10.0606 10.0664 11.3059 11.3272 11.9572 11.9811 k = 0.3240 0.6048 0.3007 ( 5879 PWs) bands (ev): -7.9897 -7.9893 -6.8270 -6.8221 -6.6264 -6.6255 -6.2998 -6.2911 -3.2056 -3.2012 1.2826 1.2906 1.5350 1.5944 1.7706 1.7849 1.8607 1.9019 2.0935 2.1076 2.8890 2.9176 3.0145 3.0228 3.1357 3.1959 3.2624 3.3714 3.4477 3.4744 3.4808 3.4950 4.3085 4.3101 4.4772 4.5562 4.5808 4.6090 4.6474 4.6708 4.7850 4.9279 4.9387 4.9435 5.0641 5.0867 5.1496 5.2513 5.3348 5.3464 5.4361 5.4535 5.5095 5.5764 5.5919 5.6214 5.6982 5.7046 6.3495 6.3675 6.7650 6.7729 7.9097 7.9630 8.9300 8.9407 9.4254 9.4287 10.1535 10.1582 11.3447 11.3647 11.9814 11.9971 k = 0.3152 0.6170 0.3157 ( 5887 PWs) bands (ev): -7.9906 -7.9902 -6.8093 -6.8043 -6.6413 -6.6402 -6.2989 -6.2899 -3.2082 -3.2037 1.2577 1.2640 1.5202 1.5741 1.7858 1.7930 1.8678 1.9149 2.1083 2.1173 2.8790 2.9029 2.9898 3.0015 3.1387 3.2051 3.2619 3.3733 3.4369 3.4625 3.4781 3.4857 4.3287 4.3320 4.4874 4.5545 4.5838 4.6096 4.6490 4.6803 4.7807 4.9208 4.9366 4.9477 5.0754 5.0914 5.1505 5.2549 5.3286 5.3418 5.4135 5.4409 5.4925 5.5679 5.5917 5.6194 5.7038 5.7181 6.3699 6.3892 6.7727 6.7804 7.8997 7.9536 8.9414 8.9556 9.4387 9.4412 10.2395 10.2432 11.3821 11.4006 12.0127 12.0235 k = 0.3152 0.6170 0.3157 ( 5887 PWs) bands (ev): -7.9906 -7.9902 -6.8093 -6.8043 -6.6413 -6.6402 -6.2989 -6.2899 -3.2082 -3.2037 1.2577 1.2640 1.5202 1.5741 1.7858 1.7930 1.8678 1.9149 2.1083 2.1173 2.8790 2.9029 2.9898 3.0015 3.1387 3.2051 3.2619 3.3733 3.4369 3.4625 3.4781 3.4857 4.3287 4.3320 4.4874 4.5545 4.5838 4.6096 4.6490 4.6803 4.7807 4.9208 4.9366 4.9477 5.0754 5.0914 5.1505 5.2549 5.3286 5.3418 5.4135 5.4409 5.4925 5.5679 5.5917 5.6194 5.7038 5.7181 6.3699 6.3892 6.7727 6.7804 7.8997 7.9536 8.9414 8.9556 9.4387 9.4412 10.2395 10.2432 11.3821 11.4006 12.0127 12.0235 k = 0.2966 0.6117 0.3222 ( 5891 PWs) bands (ev): -7.9918 -7.9914 -6.8015 -6.7965 -6.6462 -6.6448 -6.2987 -6.2897 -3.2102 -3.2057 1.2470 1.2525 1.5122 1.5633 1.7877 1.7947 1.8775 1.9253 2.1161 2.1228 2.8698 2.8914 2.9830 2.9957 3.1398 3.2085 3.2618 3.3731 3.4316 3.4560 3.4768 3.4850 4.3343 4.3425 4.4924 4.5541 4.5855 4.6101 4.6495 4.6859 4.7788 4.9152 4.9376 4.9496 5.0778 5.0890 5.1530 5.2529 5.3226 5.3453 5.4025 5.4337 5.4887 5.5651 5.5937 5.6259 5.7093 5.7254 6.3733 6.3935 6.7769 6.7860 7.8951 7.9492 8.9471 8.9646 9.4422 9.4462 10.2737 10.2770 11.3997 11.4177 12.0227 12.0337 k = 0.2781 0.6064 0.3288 ( 5894 PWs) bands (ev): -7.9939 -7.9935 -6.7944 -6.7894 -6.6484 -6.6463 -6.2991 -6.2900 -3.2133 -3.2089 1.2363 1.2411 1.5015 1.5488 1.7894 1.7981 1.8911 1.9383 2.1255 2.1300 2.8523 2.8719 2.9836 2.9967 3.1405 3.2111 3.2611 3.3708 3.4253 3.4477 3.4764 3.4871 4.3378 4.3525 4.4976 4.5541 4.5882 4.6109 4.6505 4.6925 4.7772 4.9095 4.9381 4.9517 5.0758 5.0807 5.1575 5.2447 5.3155 5.3534 5.3918 5.4299 5.4877 5.5644 5.5984 5.6404 5.7167 5.7331 6.3679 6.3897 6.7843 6.7959 7.8907 7.9448 8.9543 8.9775 9.4444 9.4513 10.3051 10.3081 11.4212 11.4384 12.0239 12.0375 k = 0.2596 0.6011 0.3353 ( 5896 PWs) bands (ev): -7.9967 -7.9963 -6.7888 -6.7840 -6.6469 -6.6439 -6.3002 -6.2909 -3.2173 -3.2130 1.2260 1.2301 1.4882 1.5311 1.7921 1.8032 1.9069 1.9528 2.1358 2.1394 2.8284 2.8472 2.9890 3.0027 3.1408 3.2126 3.2598 3.3666 3.4187 3.4392 3.4773 3.4896 4.3402 4.3611 4.5027 4.5543 4.5916 4.6122 4.6521 4.6998 4.7760 4.9041 4.9378 4.9542 5.0655 5.0734 5.1615 5.2331 5.3082 5.3614 5.3834 5.4299 5.4889 5.5687 5.6058 5.6591 5.7251 5.7414 6.3558 6.3790 6.7930 6.8071 7.8870 7.9410 8.9641 8.9935 9.4465 9.4564 10.3338 10.3365 11.4464 11.4631 12.0200 12.0364 k = 0.2410 0.5958 0.3419 ( 5891 PWs) bands (ev): -8.0001 -7.9998 -6.7854 -6.7808 -6.6415 -6.6376 -6.3019 -6.2926 -3.2221 -3.2179 1.2162 1.2197 1.4729 1.5112 1.7961 1.8097 1.9239 1.9682 2.1464 2.1513 2.8006 2.8195 2.9968 3.0120 3.1406 3.2129 3.2580 3.3605 3.4121 3.4316 3.4789 3.4920 4.3417 4.3679 4.5074 4.5547 4.5954 4.6142 4.6544 4.7075 4.7753 4.8992 4.9362 4.9571 5.0513 5.0658 5.1635 5.2204 5.3005 5.3670 5.3792 5.4316 5.4932 5.5777 5.6155 5.6808 5.7335 5.7516 6.3387 6.3631 6.8007 6.8166 7.8847 7.9380 8.9768 9.0125 9.4491 9.4618 10.3597 10.3621 11.4754 11.4916 12.0129 12.0319 k = 0.2225 0.5904 0.3484 ( 5885 PWs) bands (ev): -8.0039 -8.0036 -6.7841 -6.7799 -6.6320 -6.6273 -6.3044 -6.2950 -3.2275 -3.2235 1.2071 1.2102 1.4562 1.4900 1.8012 1.8171 1.9417 1.9840 2.1578 2.1651 2.7702 2.7900 3.0060 3.0232 3.1401 3.2119 3.2556 3.3529 3.4056 3.4253 3.4808 3.4943 4.3426 4.3731 4.5114 4.5551 4.5991 4.6169 4.6578 4.7152 4.7754 4.8949 4.9330 4.9604 5.0369 5.0564 5.1630 5.2078 5.2932 5.3673 5.3815 5.4328 5.5019 5.5885 5.6284 5.7050 5.7410 5.7651 6.3183 6.3434 6.8048 6.8222 7.8845 7.9367 8.9927 9.0338 9.4528 9.4679 10.3830 10.3852 11.5079 11.5239 12.0036 12.0250 k = 0.2039 0.5851 0.3550 ( 5888 PWs) bands (ev): -8.0081 -8.0078 -6.7848 -6.7810 -6.6192 -6.6138 -6.3077 -6.2982 -3.2334 -3.2295 1.1990 1.2017 1.4387 1.4683 1.8073 1.8251 1.9598 2.0000 2.1702 2.1800 2.7384 2.7594 3.0160 3.0356 3.1393 3.2094 3.2525 3.3439 3.3993 3.4202 3.4829 3.4963 4.3431 4.3768 4.5144 4.5554 4.6024 4.6202 4.6621 4.7221 4.7761 4.8916 4.9277 4.9638 5.0235 5.0461 5.1606 5.1960 5.2870 5.3640 5.3878 5.4334 5.5141 5.5971 5.6464 5.7303 5.7490 5.7827 6.2956 6.3211 6.8033 6.8222 7.8874 7.9375 9.0116 9.0572 9.4578 9.4747 10.4036 10.4058 11.5437 11.5599 11.9923 12.0160 k = 0.1854 0.5798 0.3615 ( 5888 PWs) bands (ev): -8.0123 -8.0120 -6.7869 -6.7835 -6.6037 -6.5977 -6.3119 -6.3023 -3.2395 -3.2358 1.1917 1.1941 1.4210 1.4467 1.8139 1.8331 1.9780 2.0159 2.1835 2.1957 2.7059 2.7282 3.0265 3.0487 3.1383 3.2058 3.2485 3.3340 3.3936 3.4160 3.4851 3.4981 4.3435 4.3792 4.5167 4.5554 4.6053 4.6235 4.6676 4.7280 4.7776 4.8893 4.9203 4.9675 5.0118 5.0359 5.1568 5.1853 5.2819 5.3592 5.3954 5.4344 5.5273 5.6014 5.6696 5.7485 5.7667 5.8043 6.2715 6.2970 6.7951 6.8156 7.8936 7.9412 9.0330 9.0817 9.4642 9.4824 10.4218 10.4241 11.5822 11.5990 11.9790 12.0047 k = 0.1669 0.5745 0.3681 ( 5890 PWs) bands (ev): -8.0165 -8.0162 -6.7899 -6.7869 -6.5864 -6.5798 -6.3171 -6.3074 -3.2457 -3.2423 1.1855 1.1876 1.4036 1.4259 1.8207 1.8407 1.9963 2.0316 2.1974 2.2118 2.6731 2.6967 3.0372 3.0623 3.1373 3.2012 3.2435 3.3233 3.3888 3.4125 3.4873 3.4997 4.3439 4.3804 4.5182 4.5550 4.6080 4.6265 4.6740 4.7326 4.7797 4.8879 4.9111 4.9712 5.0017 5.0270 5.1526 5.1758 5.2779 5.3531 5.4036 5.4369 5.5394 5.6020 5.6964 5.7578 5.7965 5.8300 6.2467 6.2718 6.7795 6.8017 7.9036 7.9478 9.0563 9.1066 9.4721 9.4908 10.4378 10.4403 11.6229 11.6406 11.9634 11.9908 k = 0.1483 0.5692 0.3746 ( 5893 PWs) bands (ev): -8.0206 -8.0204 -6.7932 -6.7906 -6.5679 -6.5609 -6.3232 -6.3135 -3.2518 -3.2487 1.1802 1.1821 1.3870 1.4061 1.8275 1.8477 2.0144 2.0470 2.2118 2.2279 2.6406 2.6653 3.0482 3.0762 3.1365 3.1958 3.2375 3.3119 3.3853 3.4093 3.4895 3.5010 4.3446 4.3807 4.5193 4.5540 4.6107 4.6289 4.6810 4.7359 4.7820 4.8862 4.9021 4.9748 4.9925 5.0202 5.1485 5.1676 5.2745 5.3459 5.4124 5.4414 5.5486 5.5996 5.7249 5.7674 5.8300 5.8593 6.2217 6.2460 6.7567 6.7808 7.9170 7.9573 9.0805 9.1307 9.4815 9.4998 10.4518 10.4545 11.6649 11.6839 11.9455 11.9737 k = 0.1298 0.5639 0.3812 ( 5885 PWs) bands (ev): -8.0244 -8.0242 -6.7967 -6.7944 -6.5487 -6.5414 -6.3302 -6.3206 -3.2576 -3.2548 1.1758 1.1775 1.3717 1.3878 1.8341 1.8538 2.0322 2.0620 2.2262 2.2440 2.6088 2.6344 3.0593 3.0901 3.1360 3.1900 3.2305 3.3001 3.3829 3.4063 3.4916 3.5020 4.3455 4.3801 4.5201 4.5525 4.6134 4.6307 4.6882 4.7380 4.7843 4.8801 4.8981 4.9776 4.9846 5.0159 5.1449 5.1608 5.2718 5.3377 5.4215 5.4478 5.5541 5.5950 5.7539 5.7792 5.8658 5.8914 6.1973 6.2201 6.7274 6.7534 7.9331 7.9692 9.1047 9.1530 9.4921 9.5094 10.4639 10.4669 11.7067 11.7277 11.9257 11.9534 k = 0.1112 0.5586 0.3877 ( 5893 PWs) bands (ev): -8.0279 -8.0278 -6.8000 -6.7981 -6.5293 -6.5217 -6.3383 -6.3287 -3.2630 -3.2605 1.1723 1.1737 1.3579 1.3713 1.8403 1.8589 2.0494 2.0761 2.2406 2.2596 2.5782 2.6043 3.0704 3.1038 3.1360 3.1839 3.2228 3.2877 3.3815 3.4034 3.4937 3.5028 4.3468 4.3789 4.5209 4.5503 4.6160 4.6318 4.6953 4.7391 4.7864 4.8693 4.8998 4.9732 4.9839 5.0135 5.1419 5.1552 5.2696 5.3288 5.4311 5.4559 5.5554 5.5889 5.7822 5.7937 5.9032 5.9246 6.1743 6.1949 6.6931 6.7205 7.9511 7.9826 9.1280 9.1727 9.5036 9.5191 10.4745 10.4775 11.7465 11.7700 11.9055 11.9303 k = 0.0927 0.5533 0.3943 ( 5889 PWs) bands (ev): -8.0311 -8.0309 -6.8030 -6.8014 -6.5101 -6.5022 -6.3474 -6.3379 -3.2678 -3.2657 1.1695 1.1707 1.3459 1.3569 1.8461 1.8628 2.0659 2.0890 2.2548 2.2746 2.5495 2.5756 3.0814 3.1167 3.1369 3.1778 3.2149 3.2750 3.3811 3.4006 3.4956 3.5034 4.3485 4.3770 4.5218 4.5477 4.6186 4.6325 4.7021 4.7393 4.7886 4.8575 4.9038 4.9652 4.9874 5.0122 5.1399 5.1508 5.2682 5.3197 5.4410 5.4651 5.5529 5.5815 5.8080 5.8116 5.9412 5.9564 6.1540 6.1716 6.6557 6.6837 7.9697 7.9963 9.1496 9.1890 9.5154 9.5285 10.4836 10.4865 11.7803 11.8079 11.8883 11.9069 k = 0.0742 0.5480 0.4008 ( 5895 PWs) bands (ev): -8.0337 -8.0336 -6.8055 -6.8043 -6.4913 -6.4834 -6.3573 -6.3481 -3.2718 -3.2701 1.1675 1.1684 1.3359 1.3446 1.8513 1.8655 2.0810 2.1003 2.2686 2.2884 2.5235 2.5486 3.0922 3.1269 3.1401 3.1721 3.2072 3.2620 3.3815 3.3978 3.4974 3.5037 4.3507 4.3747 4.5230 4.5447 4.6211 4.6327 4.7084 4.7387 4.7910 4.8460 4.9086 4.9574 4.9911 5.0113 5.1386 5.1474 5.2678 5.3105 5.4514 5.4749 5.5474 5.5732 5.8275 5.8358 5.9770 5.9834 6.1376 6.1531 6.6175 6.6450 7.9876 8.0092 9.1687 9.2016 9.5268 9.5372 10.4913 10.4939 11.8007 11.8335 11.8819 11.8906 k = 0.0556 0.5427 0.4074 ( 5901 PWs) bands (ev): -8.0358 -8.0357 -6.8075 -6.8066 -6.4735 -6.4657 -6.3678 -6.3590 -3.2751 -3.2738 1.1660 1.1667 1.3283 1.3347 1.8559 1.8671 2.0943 2.1092 2.2818 2.3002 2.5016 2.5241 3.1026 3.1317 3.1470 3.1673 3.2010 3.2488 3.3824 3.3951 3.4989 3.5038 4.3532 4.3720 4.5246 4.5414 4.6235 4.6324 4.7143 4.7373 4.7941 4.8353 4.9140 4.9501 4.9948 5.0103 5.1380 5.1448 5.2687 5.3017 5.4619 5.4845 5.5405 5.5640 5.8462 5.8584 5.9999 6.0074 6.1265 6.1445 6.5818 6.6068 8.0037 8.0201 9.1848 9.2103 9.5369 9.5447 10.4976 10.4998 11.8029 11.8319 11.8920 11.8960 k = 0.0371 0.5374 0.4139 ( 5901 PWs) bands (ev): -8.0373 -8.0372 -6.8090 -6.8084 -6.4572 -6.4500 -6.3782 -6.3704 -3.2774 -3.2765 1.1650 1.1655 1.3230 1.3272 1.8598 1.8675 2.1052 2.1154 2.2941 2.3090 2.4854 2.5031 3.1122 3.1329 3.1536 3.1639 3.1985 3.2356 3.3839 3.3925 3.5003 3.5036 4.3561 4.3690 4.5266 4.5381 4.6257 4.6317 4.7196 4.7351 4.7981 4.8256 4.9195 4.9433 4.9984 5.0089 5.1382 5.1428 5.2709 5.2934 5.4726 5.4925 5.5340 5.5544 5.8640 5.8765 6.0073 6.0225 6.1256 6.1459 6.5526 6.5724 8.0168 8.0278 9.1978 9.2151 9.5451 9.5502 10.5024 10.5039 11.7971 11.8165 11.9077 11.9115 k = 0.0185 0.5320 0.4205 ( 5903 PWs) bands (ev): -8.0382 -8.0382 -6.8098 -6.8095 -6.4436 -6.4385 -6.3865 -6.3811 -3.2787 -3.2783 1.1645 1.1647 1.3202 1.3223 1.8630 1.8670 2.1130 2.1182 2.3044 2.3130 2.4770 2.4870 3.1207 3.1316 3.1567 3.1616 3.2021 3.2228 3.3856 3.3900 3.5015 3.5031 4.3592 4.3657 4.5290 4.5349 4.6276 4.6307 4.7245 4.7322 4.8032 4.8169 4.9251 4.9369 5.0017 5.0071 5.1388 5.1412 5.2745 5.2860 5.4828 5.4956 5.5317 5.5447 5.8788 5.8871 6.0103 6.0219 6.1357 6.1491 6.5348 6.5461 8.0261 8.0317 9.2074 9.2161 9.5508 9.5533 10.5055 10.5063 11.7931 11.8027 11.9198 11.9222 k = 0.0000 0.5267 0.4270 ( 5904 PWs) bands (ev): -8.0385 -8.0385 -6.8100 -6.8100 -6.4358 -6.4358 -6.3880 -6.3880 -3.2790 -3.2790 1.1644 1.1644 1.3199 1.3199 1.8654 1.8654 2.1174 2.1174 2.3113 2.3113 2.4777 2.4777 3.1274 3.1274 3.1591 3.1591 3.2111 3.2111 3.3877 3.3877 3.5025 3.5025 4.3624 4.3624 4.5318 4.5318 4.6293 4.6293 4.7287 4.7287 4.8095 4.8095 4.9309 4.9309 5.0046 5.0046 5.1398 5.1398 5.2796 5.2796 5.4914 5.4914 5.5362 5.5362 5.8876 5.8876 6.0152 6.0152 6.1461 6.1461 6.5324 6.5324 8.0312 8.0312 9.2135 9.2135 9.5535 9.5535 10.5068 10.5068 11.7947 11.7947 11.9250 11.9250 k = 0.0000 0.5267 0.4270 ( 5904 PWs) bands (ev): -8.0385 -8.0385 -6.8100 -6.8100 -6.4358 -6.4358 -6.3880 -6.3880 -3.2790 -3.2790 1.1644 1.1644 1.3199 1.3199 1.8654 1.8654 2.1174 2.1174 2.3113 2.3113 2.4777 2.4777 3.1274 3.1274 3.1591 3.1591 3.2111 3.2111 3.3877 3.3877 3.5025 3.5025 4.3624 4.3624 4.5318 4.5318 4.6293 4.6293 4.7287 4.7287 4.8095 4.8095 4.9309 4.9309 5.0046 5.0046 5.1398 5.1398 5.2796 5.2796 5.4914 5.4914 5.5362 5.5362 5.8876 5.8876 6.0152 6.0152 6.1461 6.1461 6.5324 6.5324 8.0312 8.0312 9.2135 9.2135 9.5535 9.5535 10.5068 10.5068 11.7947 11.7947 11.9250 11.9250 k = 0.0086 0.5148 0.4418 ( 5900 PWs) bands (ev): -8.0382 -8.0382 -6.8097 -6.8095 -6.4362 -6.4362 -6.3883 -6.3882 -3.2792 -3.2791 1.1634 1.1644 1.3168 1.3171 1.8549 1.8614 2.1152 2.1269 2.3061 2.3291 2.4764 2.4808 3.1261 3.1290 3.1590 3.1592 3.2107 3.2115 3.3866 3.3886 3.5020 3.5031 4.3613 4.3640 4.5290 4.5342 4.6276 4.6315 4.7251 4.7318 4.8093 4.8101 4.9302 4.9325 4.9993 5.0094 5.1337 5.1469 5.2669 5.2815 5.4888 5.5068 5.5286 5.5439 5.8879 5.8887 6.0174 6.0197 6.1441 6.1475 6.5302 6.5330 8.0260 8.0318 9.2113 9.2168 9.5540 9.5551 10.5006 10.5048 11.7957 11.7959 11.9227 11.9257 k = 0.0172 0.5029 0.4565 ( 5896 PWs) bands (ev): -8.0373 -8.0373 -6.8087 -6.8084 -6.4375 -6.4375 -6.3892 -6.3888 -3.2797 -3.2794 1.1612 1.1633 1.3078 1.3083 1.8321 1.8436 2.1201 2.1424 2.3138 2.3573 2.4771 2.4858 3.1250 3.1309 3.1589 3.1592 3.2103 3.2119 3.3852 3.3893 3.5016 3.5038 4.3606 4.3661 4.5260 4.5363 4.6264 4.6340 4.7213 4.7345 4.8095 4.8108 4.9306 4.9347 4.9937 5.0133 5.1283 5.1551 5.2470 5.2723 5.4975 5.5148 5.5379 5.5536 5.8893 5.8911 6.0257 6.0310 6.1413 6.1485 6.5262 6.5318 8.0165 8.0280 9.2101 9.2211 9.5567 9.5588 10.4862 10.4947 11.7988 11.7992 11.9187 11.9246 k = 0.0259 0.4909 0.4712 ( 5890 PWs) bands (ev): -8.0357 -8.0357 -6.8071 -6.8066 -6.4397 -6.4397 -6.3906 -6.3900 -3.2803 -3.2799 1.1581 1.1612 1.2936 1.2940 1.8003 1.8147 2.1312 2.1623 2.3325 2.3920 2.4806 2.4930 3.1240 3.1331 3.1588 3.1592 3.2098 3.2123 3.3836 3.3897 3.5014 3.5046 4.3603 4.3684 4.5227 4.5380 4.6256 4.6368 4.7174 4.7367 4.8105 4.8114 4.9320 4.9371 4.9878 5.0165 5.1239 5.1644 5.2240 5.2561 5.5046 5.5090 5.5702 5.5711 5.8917 5.8949 6.0390 6.0483 6.1384 6.1501 6.5205 6.5290 8.0027 8.0199 9.2099 9.2264 9.5613 9.5645 10.4639 10.4767 11.8037 11.8043 11.9134 11.9220 k = 0.0345 0.4790 0.4859 ( 5896 PWs) bands (ev): -8.0336 -8.0335 -6.8047 -6.8041 -6.4427 -6.4427 -6.3924 -6.3917 -3.2813 -3.2806 1.1538 1.1580 1.2749 1.2750 1.7627 1.7780 2.1473 2.1854 2.3587 2.4281 2.4897 2.5028 3.1231 3.1352 3.1589 3.1593 3.2094 3.2128 3.3817 3.3899 3.5014 3.5054 4.3605 4.3711 4.5193 4.5395 4.6252 4.6398 4.7134 4.7383 4.8115 4.8120 4.9343 4.9389 4.9822 5.0185 5.1205 5.1748 5.2006 5.2370 5.4924 5.5158 5.5978 5.6101 5.8949 5.8999 6.0549 6.0698 6.1366 6.1538 6.5132 6.5246 7.9850 8.0076 9.2107 9.2327 9.5678 9.5720 10.4341 10.4513 11.8095 11.8104 11.9070 11.9181 k = 0.0431 0.4670 0.5007 ( 5894 PWs) bands (ev): -8.0308 -8.0308 -6.8017 -6.8009 -6.4465 -6.4464 -6.3948 -6.3939 -3.2824 -3.2816 1.1485 1.1536 1.2520 1.2525 1.7214 1.7362 2.1674 2.2112 2.3888 2.4557 2.5121 2.5162 3.1219 3.1373 3.1594 3.1597 3.2091 3.2133 3.3797 3.3899 3.5014 3.5060 4.3611 4.3741 4.5159 4.5410 4.6252 4.6428 4.7095 4.7394 4.8111 4.8139 4.9375 4.9394 4.9772 5.0194 5.1182 5.1761 5.1892 5.2180 5.4796 5.5179 5.6341 5.6524 5.8987 5.9059 6.0699 6.0899 6.1409 6.1629 6.5043 6.5187 7.9638 7.9917 9.2125 9.2400 9.5759 9.5811 10.3972 10.4189 11.8155 11.8166 11.8999 11.9131 k = 0.0517 0.4551 0.5154 ( 5898 PWs) bands (ev): -8.0275 -8.0275 -6.7980 -6.7971 -6.4511 -6.4510 -6.3976 -6.3966 -3.2837 -3.2828 1.1421 1.1482 1.2261 1.2273 1.6779 1.6913 2.1905 2.2390 2.4191 2.4706 2.5344 2.5507 3.1205 3.1391 3.1604 3.1606 3.2089 3.2139 3.3774 3.3897 3.5014 3.5065 4.3621 4.3773 4.5126 4.5425 4.6254 4.6458 4.7057 4.7399 4.8098 4.8158 4.9381 4.9413 4.9729 5.0191 5.1173 5.1567 5.2008 5.2021 5.4667 5.5176 5.6756 5.6971 5.9033 5.9128 6.0802 6.0985 6.1608 6.1806 6.4940 6.5115 7.9395 7.9725 9.2152 9.2483 9.5855 9.5916 10.3539 10.3803 11.8201 11.8215 11.8922 11.9071 k = 0.0603 0.4432 0.5301 ( 5888 PWs) bands (ev): -8.0237 -8.0236 -6.7937 -6.7926 -6.4564 -6.4563 -6.4010 -6.3997 -3.2851 -3.2841 1.1346 1.1418 1.1980 1.1999 1.6331 1.6446 2.2161 2.2683 2.4470 2.4806 2.5587 2.5966 3.1187 3.1404 3.1619 3.1622 3.2090 3.2147 3.3749 3.3894 3.5014 3.5067 4.3635 4.3807 4.5094 4.5444 4.6257 4.6488 4.7021 4.7402 4.8076 4.8173 4.9351 4.9454 4.9691 5.0176 5.1178 5.1397 5.1868 5.2172 5.4541 5.5164 5.7203 5.7432 5.9084 5.9204 6.0847 6.0971 6.1942 6.2079 6.4824 6.5031 7.9125 7.9503 9.2186 9.2573 9.5964 9.6034 10.3051 10.3363 11.8216 11.8235 11.8840 11.9004 k = 0.0690 0.4312 0.5448 ( 5882 PWs) bands (ev): -8.0193 -8.0193 -6.7887 -6.7875 -6.4624 -6.4623 -6.4049 -6.4034 -3.2867 -3.2856 1.1257 1.1342 1.1689 1.1713 1.5878 1.5970 2.2433 2.2986 2.4711 2.4899 2.5894 2.6447 3.1165 3.1411 3.1640 3.1645 3.2093 3.2156 3.3723 3.3889 3.5012 3.5065 4.3652 4.3841 4.5065 4.5466 4.6261 4.6516 4.6986 4.7401 4.8042 4.8179 4.9311 4.9494 4.9651 5.0146 5.1196 5.1265 5.1769 5.2335 5.4423 5.5149 5.7666 5.7901 5.9142 5.9288 6.0852 6.0926 6.2339 6.2423 6.4698 6.4939 7.8835 7.9257 9.2226 9.2671 9.6081 9.6161 10.2515 10.2877 11.8183 11.8206 11.8752 11.8929 k = 0.0776 0.4193 0.5596 ( 5884 PWs) bands (ev): -8.0145 -8.0145 -6.7832 -6.7818 -6.4690 -6.4689 -6.4092 -6.4076 -3.2884 -3.2872 1.1144 1.1253 1.1406 1.1423 1.5423 1.5492 2.2717 2.3295 2.4919 2.4999 2.6249 2.6932 3.1140 3.1413 3.1667 3.1673 3.2098 3.2165 3.3695 3.3883 3.5007 3.5059 4.3673 4.3875 4.5039 4.5495 4.6264 4.6542 4.6953 4.7396 4.7996 4.8171 4.9268 4.9530 4.9603 5.0104 5.1176 5.1226 5.1714 5.2505 5.4315 5.5135 5.8133 5.8367 5.9210 5.9381 6.0843 6.0877 6.2769 6.2814 6.4565 6.4841 7.8528 7.8992 9.2270 9.2774 9.6206 9.6296 10.1941 10.2356 11.8083 11.8113 11.8653 11.8842 k = 0.0862 0.4074 0.5743 ( 5886 PWs) bands (ev): -8.0093 -8.0093 -6.7770 -6.7755 -6.4762 -6.4761 -6.4140 -6.4123 -3.2903 -3.2890 1.0963 1.1096 1.1179 1.1190 1.4971 1.5015 2.3007 2.3605 2.5106 2.5109 2.6633 2.7410 3.1113 3.1413 3.1698 3.1705 3.2107 3.2177 3.3667 3.3878 3.4999 3.5047 4.3697 4.3907 4.5016 4.5529 4.6267 4.6567 4.6922 4.7388 4.7938 4.8143 4.9227 4.9549 4.9560 5.0053 5.1133 5.1261 5.1706 5.2673 5.4221 5.5123 5.8577 5.8807 5.9304 5.9498 6.0837 6.0838 6.3217 6.3234 6.4430 6.4745 7.8210 7.8710 9.2315 9.2880 9.6334 9.6436 10.1342 10.1811 11.7909 11.7946 11.8538 11.8740 k = 0.0948 0.3954 0.5890 ( 5884 PWs) bands (ev): -8.0038 -8.0037 -6.7702 -6.7686 -6.4838 -6.4837 -6.4194 -6.4174 -3.2921 -3.2908 1.0698 1.0814 1.1032 1.1075 1.4523 1.4545 2.3300 2.3912 2.5229 2.5286 2.7030 2.7876 3.1087 3.1413 3.1731 3.1742 3.2120 3.2189 3.3639 3.3872 3.4987 3.5030 4.3722 4.3938 4.4997 4.5569 4.6268 4.6591 4.6892 4.7377 4.7869 4.8097 4.9187 4.9498 4.9578 4.9999 5.1133 5.1301 5.1740 5.2830 5.4146 5.5112 5.8926 5.9159 5.9489 5.9690 6.0816 6.0849 6.3663 6.3666 6.4307 6.4660 7.7884 7.8417 9.2356 9.2984 9.6464 9.6580 10.0729 10.1253 11.7661 11.7705 11.8405 11.8620 k = 0.1034 0.3835 0.6037 ( 5886 PWs) bands (ev): -7.9979 -7.9979 -6.7629 -6.7611 -6.4919 -6.4918 -6.4251 -6.4231 -3.2940 -3.2926 1.0410 1.0526 1.0909 1.0965 1.4083 1.4084 2.3593 2.4214 2.5362 2.5464 2.7427 2.8324 3.1063 3.1415 3.1764 3.1781 3.2136 3.2203 3.3611 3.3867 3.4970 3.5006 4.3750 4.3966 4.4981 4.5615 4.6267 4.6615 4.6864 4.7361 4.7791 4.8034 4.9141 4.9460 4.9583 4.9950 5.1171 5.1348 5.1805 5.2964 5.4097 5.5100 5.9098 5.9348 5.9836 6.0017 6.0824 6.0895 6.4009 6.4078 6.4284 6.4624 7.7554 7.8116 9.2387 9.3081 9.6592 9.6726 10.0118 10.0695 11.7353 11.7406 11.8250 11.8477 k = 0.1121 0.3715 0.6185 ( 5880 PWs) bands (ev): -7.9918 -7.9918 -6.7551 -6.7532 -6.5002 -6.5002 -6.4314 -6.4292 -3.2960 -3.2945 1.0124 1.0246 1.0789 1.0851 1.3633 1.3653 2.3882 2.4507 2.5504 2.5643 2.7817 2.8750 3.1043 3.1420 3.1795 3.1822 3.2155 3.2217 3.3585 3.3863 3.4947 3.4975 4.3780 4.3993 4.4970 4.5665 4.6266 4.6638 4.6836 4.7340 4.7706 4.7960 4.9085 4.9443 4.9573 4.9911 5.1242 5.1406 5.1889 5.3062 5.4077 5.5084 5.9161 5.9429 6.0264 6.0398 6.0873 6.0999 6.3999 6.4291 6.4636 6.4796 7.7224 7.7809 9.2402 9.3161 9.6715 9.6873 9.9527 10.0153 11.7007 11.7068 11.8070 11.8308 k = 0.1207 0.3596 0.6332 ( 5880 PWs) bands (ev): -7.9855 -7.9855 -6.7468 -6.7447 -6.5089 -6.5088 -6.4381 -6.4357 -3.2979 -3.2964 0.9849 0.9978 1.0668 1.0733 1.3196 1.3235 2.4165 2.4790 2.5656 2.5824 2.8193 2.9151 3.1028 3.1429 3.1825 3.1864 3.2177 3.2232 3.3561 3.3861 3.4918 3.4936 4.3811 4.4017 4.4962 4.5715 4.6264 4.6661 4.6808 4.7312 4.7618 4.7882 4.9020 4.9444 4.9547 4.9886 5.1341 5.1475 5.1985 5.3118 5.4088 5.5060 5.9174 5.9456 6.0672 6.0728 6.1003 6.1211 6.3921 6.4296 6.5073 6.5187 7.6898 7.7500 9.2391 9.3212 9.6824 9.7018 9.8982 9.9641 11.6647 11.6713 11.7864 11.8112 k = 0.1293 0.3477 0.6479 ( 5886 PWs) bands (ev): -7.9791 -7.9790 -6.7380 -6.7358 -6.5176 -6.5175 -6.4452 -6.4428 -3.2997 -3.2983 0.9587 0.9723 1.0547 1.0613 1.2774 1.2829 2.4440 2.5059 2.5816 2.6008 2.8552 2.9524 3.1020 3.1445 3.1854 3.1907 3.2201 3.2247 3.3541 3.3861 3.4881 3.4890 4.3842 4.4039 4.4958 4.5762 4.6263 4.6684 4.6779 4.7278 4.7531 4.7804 4.8953 4.9457 4.9509 4.9873 5.1461 5.1556 5.2086 5.3133 5.4119 5.5026 5.9151 5.9444 6.0945 6.0974 6.1309 6.1541 6.3864 6.4272 6.5508 6.5614 7.6577 7.7190 9.2345 9.3216 9.6912 9.7161 9.8513 9.9176 11.6291 11.6360 11.7631 11.7885 k = 0.1379 0.3357 0.6626 ( 5880 PWs) bands (ev): -7.9726 -7.9726 -6.7288 -6.7265 -6.5264 -6.5263 -6.4528 -6.4502 -3.3015 -3.3001 0.9342 0.9485 1.0427 1.0492 1.2370 1.2439 2.4705 2.5313 2.5981 2.6192 2.8891 2.9864 3.1021 3.1467 3.1881 3.1949 3.2228 3.2263 3.3526 3.3864 3.4836 3.4836 4.3874 4.4060 4.4957 4.5799 4.6266 4.6708 4.6750 4.7238 4.7449 4.7731 4.8890 4.9464 4.9478 4.9869 5.1600 5.1649 5.2189 5.3121 5.4156 5.4977 5.9096 5.9392 6.1149 6.1199 6.1722 6.1921 6.3844 6.4263 6.5928 6.6033 7.6265 7.6883 9.2253 9.3153 9.6962 9.7300 9.8162 9.8772 11.5954 11.6025 11.7373 11.7631 k = 0.1466 0.3238 0.6774 ( 5882 PWs) bands (ev): -7.9662 -7.9662 -6.7192 -6.7168 -6.5351 -6.5350 -6.4608 -6.4581 -3.3033 -3.3019 0.9117 0.9263 1.0308 1.0371 1.1983 1.2066 2.4959 2.5551 2.6150 2.6376 2.9206 3.0170 3.1032 3.1495 3.1906 3.1990 3.2256 3.2279 3.3518 3.3869 3.4775 3.4784 4.3907 4.4079 4.4957 4.5819 4.6278 4.6718 4.6733 4.7194 4.7374 4.7667 4.8832 4.9414 4.9503 4.9871 5.1748 5.1752 5.2297 5.3094 5.4186 5.4914 5.9006 5.9302 6.1379 6.1449 6.2141 6.2298 6.3869 6.4280 6.6326 6.6431 7.5964 7.6580 9.2108 9.3004 9.6966 9.7434 9.7961 9.8445 11.5649 11.5718 11.7095 11.7352 k = 0.1552 0.3118 0.6921 ( 5878 PWs) bands (ev): -7.9599 -7.9599 -6.7093 -6.7067 -6.5436 -6.5435 -6.4692 -6.4664 -3.3049 -3.3036 0.8911 0.9061 1.0192 1.0252 1.1617 1.1710 2.5201 2.5769 2.6319 2.6555 2.9497 3.0439 3.1056 3.1529 3.1931 3.2029 3.2283 3.2297 3.3518 3.3877 3.4706 3.4724 4.3941 4.4097 4.4959 4.5815 4.6302 4.6687 4.6756 4.7149 4.7309 4.7610 4.8782 4.9363 4.9529 4.9875 5.1850 5.1914 5.2410 5.3060 5.4199 5.4836 5.8883 5.9172 6.1650 6.1736 6.2544 6.2651 6.3940 6.4323 6.6694 6.6798 7.5677 7.6282 9.1907 9.2762 9.6945 9.7559 9.7898 9.8202 11.5382 11.5448 11.6804 11.7056 k = 0.1638 0.2999 0.7068 ( 5882 PWs) bands (ev): -7.9538 -7.9538 -6.6990 -6.6964 -6.5519 -6.5518 -6.4780 -6.4751 -3.3064 -3.3052 0.8727 0.8878 1.0080 1.0138 1.1273 1.1374 2.5428 2.5968 2.6487 2.6728 2.9763 3.0671 3.1091 3.1568 3.1955 3.2067 3.2305 3.2319 3.3527 3.3888 3.4630 3.4655 4.3975 4.4115 4.4960 4.5785 4.6338 4.6655 4.6781 4.7108 4.7254 4.7559 4.8742 4.9310 4.9555 4.9881 5.1949 5.2081 5.2534 5.3030 5.4194 5.4745 5.8729 5.9007 6.1962 6.2059 6.2922 6.2971 6.4058 6.4392 6.7027 6.7129 7.5406 7.5993 9.1655 9.2436 9.6948 9.7669 9.7920 9.8048 11.5159 11.5219 11.6508 11.6749 k = 0.1724 0.2880 0.7215 ( 5880 PWs) bands (ev): -7.9480 -7.9479 -6.6885 -6.6857 -6.5597 -6.5597 -6.4871 -6.4842 -3.3078 -3.3066 0.8564 0.8716 0.9975 1.0028 1.0952 1.1060 2.5640 2.6146 2.6651 2.6892 3.0002 3.0864 3.1140 3.1612 3.1980 3.2103 3.2322 3.2345 3.3547 3.3902 3.4548 3.4580 4.4011 4.4133 4.4961 4.5734 4.6381 4.6625 4.6806 4.7073 4.7212 4.7513 4.8711 4.9258 4.9582 4.9886 5.2041 5.2243 5.2670 5.3012 5.4172 5.4645 5.8550 5.8811 6.2309 6.2413 6.3256 6.3273 6.4213 6.4483 6.7321 6.7420 7.5153 7.5714 9.1363 9.2052 9.6996 9.7747 9.7982 9.7993 11.4982 11.5035 11.6216 11.6443 k = 0.1810 0.2760 0.7363 ( 5880 PWs) bands (ev): -7.9425 -7.9425 -6.6777 -6.6749 -6.5671 -6.5670 -6.4966 -6.4936 -3.3091 -3.3080 0.8424 0.8573 0.9876 0.9926 1.0657 1.0768 2.5837 2.6303 2.6808 2.7043 3.0215 3.1019 3.1201 3.1657 3.2007 3.2138 3.2338 3.2370 3.3576 3.3916 3.4461 3.4498 4.4047 4.4151 4.4961 4.5665 4.6427 4.6599 4.6831 4.7045 4.7179 4.7469 4.8689 4.9205 4.9608 4.9890 5.2122 5.2386 5.2820 5.3021 5.4135 5.4539 5.8350 5.8593 6.2680 6.2789 6.3510 6.3594 6.4391 6.4587 6.7570 6.7665 7.4921 7.5448 9.1047 9.1637 9.7088 9.7783 9.8032 9.8061 11.4850 11.4896 11.5937 11.6145 k = 0.1897 0.2641 0.7510 ( 5886 PWs) bands (ev): -7.9374 -7.9374 -6.6667 -6.6638 -6.5739 -6.5738 -6.5063 -6.5033 -3.3102 -3.3092 0.8307 0.8451 0.9787 0.9831 1.0390 1.0501 2.6016 2.6437 2.6956 2.7180 3.0403 3.1137 3.1272 3.1702 3.2037 3.2170 3.2352 3.2393 3.3615 3.3932 3.4372 3.4412 4.4083 4.4170 4.4958 4.5585 4.6471 4.6578 4.6856 4.7024 4.7155 4.7425 4.8677 4.9152 4.9634 4.9892 5.2192 5.2490 5.2982 5.3074 5.4090 5.4432 5.8137 5.8358 6.3065 6.3176 6.3741 6.3885 6.4576 6.4696 6.7774 6.7862 7.4713 7.5197 9.0724 9.1218 9.7210 9.7809 9.8116 9.8145 11.4763 11.4801 11.5677 11.5864 k = 0.1983 0.2522 0.7657 ( 5886 PWs) bands (ev): -7.9329 -7.9329 -6.6557 -6.6527 -6.5799 -6.5799 -6.5163 -6.5133 -3.3112 -3.3103 0.8212 0.8347 0.9707 0.9746 1.0152 1.0261 2.6178 2.6548 2.7092 2.7299 3.0569 3.1221 3.1353 3.1744 3.2073 3.2202 3.2366 3.2411 3.3659 3.3946 3.4283 3.4322 4.4120 4.4189 4.4954 4.5498 4.6511 4.6565 4.6882 4.7011 4.7138 4.7383 4.8674 4.9100 4.9660 4.9891 5.2253 5.2544 5.3150 5.3180 5.4040 5.4329 5.7920 5.8118 6.3450 6.3560 6.3954 6.4147 6.4751 6.4801 6.7929 6.8010 7.4531 7.4964 9.0411 9.0816 9.7346 9.7844 9.8209 9.8229 11.4717 11.4746 11.5444 11.5608 k = 0.2069 0.2402 0.7804 ( 5886 PWs) bands (ev): -7.9289 -7.9289 -6.6445 -6.6415 -6.5853 -6.5851 -6.5265 -6.5234 -3.3120 -3.3112 0.8139 0.8262 0.9638 0.9672 0.9946 1.0048 2.6321 2.6637 2.7216 2.7399 3.0712 3.1273 3.1437 3.1778 3.2116 3.2231 3.2379 3.2425 3.3706 3.3958 3.4197 3.4233 4.4156 4.4207 4.4951 4.5409 4.6543 4.6559 4.6908 4.7005 4.7126 4.7340 4.8679 4.9048 4.9687 4.9888 5.2305 5.2561 5.3316 5.3321 5.3993 5.4234 5.7707 5.7879 6.3821 6.3924 6.4157 6.4382 6.4893 6.4904 6.8039 6.8112 7.4378 7.4753 9.0124 9.0448 9.7486 9.7885 9.8300 9.8308 11.4704 11.4726 11.5243 11.5382 k = 0.2155 0.2283 0.7952 ( 5888 PWs) bands (ev): -7.9256 -7.9256 -6.6335 -6.6304 -6.5897 -6.5895 -6.5367 -6.5337 -3.3126 -3.3120 0.8086 0.8193 0.9580 0.9609 0.9776 0.9867 2.6445 2.6702 2.7324 2.7478 3.0838 3.1297 3.1521 3.1801 3.2165 3.2260 3.2392 3.2435 3.3750 3.3964 3.4121 3.4149 4.4190 4.4225 4.4951 4.5321 4.6559 4.6568 4.6935 4.7004 4.7118 4.7297 4.8693 4.8996 4.9713 4.9880 5.2350 5.2557 5.3469 5.3470 5.3956 5.4154 5.7508 5.7653 6.4160 6.4237 6.4364 6.4591 6.4965 6.5028 6.8107 6.8170 7.4257 7.4566 8.9876 9.0126 9.7617 9.7923 9.8381 9.8382 11.4716 11.4731 11.5077 11.5191 k = 0.2241 0.2163 0.8099 ( 5886 PWs) bands (ev): -7.9229 -7.9229 -6.6227 -6.6196 -6.5933 -6.5930 -6.5469 -6.5440 -3.3131 -3.3127 0.8051 0.8138 0.9535 0.9557 0.9644 0.9719 2.6549 2.6745 2.7415 2.7535 3.0946 3.1297 3.1599 3.1811 3.2215 3.2285 3.2405 3.2441 3.3788 3.3958 3.4060 3.4079 4.4219 4.4241 4.4957 4.5237 4.6564 4.6584 4.6961 4.7007 4.7114 4.7254 4.8714 4.8947 4.9740 4.9869 5.2390 5.2545 5.3598 5.3599 5.3937 5.4093 5.7337 5.7451 6.4443 6.4452 6.4599 6.4774 6.5017 6.5119 6.8142 6.8193 7.4170 7.4407 8.9679 8.9861 9.7731 9.7953 9.8445 9.8451 11.4744 11.4753 11.4951 11.5037 k = 0.2328 0.2044 0.8246 ( 5888 PWs) bands (ev): -7.9210 -7.9210 -6.6125 -6.6095 -6.5957 -6.5953 -6.5566 -6.5540 -3.3134 -3.3131 0.8034 0.8095 0.9501 0.9514 0.9557 0.9608 2.6634 2.6765 2.7488 2.7570 3.1040 3.1277 3.1668 3.1809 3.2260 3.2304 3.2417 3.2444 3.3815 3.3930 3.4022 3.4036 4.4242 4.4254 4.4972 4.5160 4.6572 4.6592 4.6985 4.7012 4.7116 4.7213 4.8741 4.8899 4.9766 4.9854 5.2425 5.2527 5.3685 5.3687 5.3950 5.4058 5.7206 5.7285 6.4602 6.4648 6.4805 6.4920 6.5057 6.5177 6.8155 6.8192 7.4118 7.4279 8.9540 8.9659 9.7825 9.7968 9.8495 9.8503 11.4773 11.4779 11.4865 11.4922 k = 0.2414 0.1925 0.8393 ( 5890 PWs) bands (ev): -7.9198 -7.9198 -6.6042 -6.6020 -6.5966 -6.5962 -6.5645 -6.5627 -3.3136 -3.3135 0.8032 0.8063 0.9478 0.9480 0.9517 0.9538 2.6698 2.6764 2.7541 2.7583 3.1120 3.1239 3.1724 3.1794 3.2293 3.2313 3.2429 3.2443 3.3835 3.3891 3.4007 3.4017 4.4257 4.4262 4.4999 4.5094 4.6581 4.6593 4.7004 4.7015 4.7125 4.7176 4.8774 4.8854 4.9791 4.9836 5.2456 5.2507 5.3725 5.3726 5.3989 5.4043 5.7129 5.7170 6.4712 6.4758 6.4936 6.4987 6.5123 6.5201 6.8160 6.8179 7.4103 7.4184 8.9465 8.9524 9.7895 9.7965 9.8528 9.8534 11.4789 11.4795 11.4827 11.4852 k = 0.2500 0.1805 0.8541 ( 5896 PWs) bands (ev): -7.9194 -7.9194 -6.6006 -6.6006 -6.5955 -6.5955 -6.5674 -6.5674 -3.3136 -3.3136 0.8042 0.8042 0.9468 0.9468 0.9510 0.9510 2.6741 2.6741 2.7573 2.7573 3.1187 3.1187 3.1766 3.1766 3.2311 3.2311 3.2438 3.2438 3.3858 3.3858 3.4008 3.4008 4.4264 4.4264 4.5039 4.5039 4.6589 4.6589 4.7013 4.7013 4.7145 4.7145 4.8812 4.8812 4.9814 4.9814 5.2483 5.2483 5.3735 5.3735 5.4025 5.4025 5.7115 5.7115 6.4772 6.4772 6.4988 6.4988 6.5184 6.5184 6.8167 6.8167 7.4125 7.4125 8.9459 8.9459 9.7942 9.7942 9.8542 9.8542 11.4791 11.4791 11.4828 11.4828 k = 0.2500 0.1805 0.8541 ( 5896 PWs) bands (ev): -7.9194 -7.9194 -6.6006 -6.6006 -6.5955 -6.5955 -6.5674 -6.5674 -3.3136 -3.3136 0.8042 0.8042 0.9468 0.9468 0.9510 0.9510 2.6741 2.6741 2.7573 2.7573 3.1187 3.1187 3.1766 3.1766 3.2311 3.2311 3.2438 3.2438 3.3858 3.3858 3.4008 3.4008 4.4264 4.4264 4.5039 4.5039 4.6589 4.6589 4.7013 4.7013 4.7145 4.7145 4.8812 4.8812 4.9814 4.9814 5.2483 5.2483 5.3735 5.3735 5.4025 5.4025 5.7115 5.7115 6.4772 6.4772 6.4988 6.4988 6.5184 6.5184 6.8167 6.8167 7.4125 7.4125 8.9459 8.9459 9.7942 9.7942 9.8542 9.8542 11.4791 11.4791 11.4828 11.4828 k = 0.2639 0.1906 0.8417 ( 5885 PWs) bands (ev): -7.9195 -7.9195 -6.6017 -6.6006 -6.5963 -6.5962 -6.5666 -6.5654 -3.3136 -3.3136 0.8036 0.8057 0.9125 0.9140 0.9871 0.9876 2.6602 2.6632 2.7661 2.7673 3.1043 3.1107 3.1825 3.1851 3.2334 3.2340 3.2435 3.2446 3.3843 3.3878 3.4005 3.4015 4.4259 4.4261 4.5017 4.5074 4.6585 4.6592 4.6992 4.7005 4.7148 4.7161 4.8791 4.8843 4.9801 4.9828 5.2444 5.2485 5.3695 5.3696 5.4053 5.4068 5.7150 5.7171 6.4612 6.4666 6.4913 6.4968 6.5333 6.5371 6.8160 6.8172 7.4079 7.4125 8.9469 8.9505 9.7698 9.7745 9.8719 9.8727 11.4500 11.4505 11.5152 11.5160 k = 0.2778 0.2006 0.8293 ( 5889 PWs) bands (ev): -7.9199 -7.9199 -6.6036 -6.6020 -6.5980 -6.5976 -6.5634 -6.5617 -3.3136 -3.3134 0.8030 0.8077 0.8798 0.8832 1.0275 1.0287 2.6314 2.6358 2.7858 2.7859 3.0791 3.0899 3.1938 3.1953 3.2401 3.2402 3.2451 3.2478 3.3832 3.3908 3.4007 3.4028 4.4248 4.4248 4.5007 4.5117 4.6581 4.6593 4.6938 4.6989 4.7170 4.7176 4.8776 4.8886 4.9786 4.9841 5.2360 5.2464 5.3609 5.3609 5.4128 5.4132 5.7278 5.7309 6.4342 6.4407 6.4880 6.4942 6.5573 6.5652 6.8150 6.8174 7.3985 7.4073 8.9532 8.9607 9.7266 9.7356 9.9014 9.9026 11.4206 11.4212 11.5562 11.5578 k = 0.2917 0.2106 0.8169 ( 5895 PWs) bands (ev): -7.9204 -7.9204 -6.6062 -6.6043 -6.5996 -6.5990 -6.5590 -6.5573 -3.3133 -3.3131 0.8001 0.8077 0.8534 0.8592 1.0699 1.0716 2.5960 2.6014 2.8045 2.8073 3.0508 3.0663 3.2005 3.2010 3.2411 3.2428 3.2565 3.2592 3.3827 3.3945 3.4024 3.4052 4.4225 4.4231 4.5009 4.5166 4.6578 4.6591 4.6871 4.6966 4.7187 4.7192 4.8766 4.8942 4.9771 4.9854 5.2238 5.2419 5.3506 5.3512 5.4179 5.4223 5.7489 5.7521 6.4058 6.4126 6.4846 6.4904 6.5824 6.5944 6.8133 6.8167 7.3844 7.3967 8.9649 8.9764 9.6778 9.6914 9.9296 9.9314 11.3927 11.3932 11.6039 11.6062 k = 0.3056 0.2206 0.8046 ( 5895 PWs) bands (ev): -7.9210 -7.9210 -6.6093 -6.6077 -6.6006 -6.5999 -6.5545 -6.5529 -3.3127 -3.3124 0.7907 0.7985 0.8408 0.8461 1.1141 1.1163 2.5566 2.5632 2.8204 2.8272 3.0224 3.0438 3.2026 3.2044 3.2404 3.2435 3.2689 3.2731 3.3832 3.3967 3.4086 3.4091 4.4194 4.4211 4.5021 4.5218 4.6578 4.6581 4.6802 4.6937 4.7195 4.7210 4.8764 4.9008 4.9759 4.9866 5.2088 5.2354 5.3397 5.3416 5.4223 5.4316 5.7767 5.7793 6.3780 6.3849 6.4798 6.4850 6.6083 6.6239 6.8107 6.8151 7.3660 7.3808 8.9813 8.9971 9.6264 9.6450 9.9549 9.9574 11.3659 11.3667 11.6572 11.6606 k = 0.3194 0.2307 0.7922 ( 5891 PWs) bands (ev): -7.9217 -7.9216 -6.6126 -6.6115 -6.6010 -6.6003 -6.5503 -6.5490 -3.3117 -3.3115 0.7746 0.7798 0.8423 0.8441 1.1599 1.1626 2.5144 2.5221 2.8315 2.8439 2.9956 3.0248 3.2031 3.2057 3.2394 3.2438 3.2779 3.2840 3.3849 3.3974 3.4151 3.4194 4.4157 4.4188 4.5042 4.5272 4.6557 4.6579 4.6740 4.6904 4.7198 4.7221 4.8768 4.9083 4.9751 4.9877 5.1917 5.2271 5.3285 5.3327 5.4262 5.4409 5.8093 5.8106 6.3514 6.3582 6.4731 6.4779 6.6351 6.6536 6.8069 6.8123 7.3438 7.3600 9.0019 9.0222 9.5742 9.5982 9.9769 9.9803 11.3400 11.3412 11.7148 11.7203 k = 0.3333 0.2407 0.7798 ( 5886 PWs) bands (ev): -7.9223 -7.9223 -6.6160 -6.6155 -6.6009 -6.6003 -6.5466 -6.5458 -3.3103 -3.3100 0.7568 0.7598 0.8483 0.8495 1.2070 1.2102 2.4699 2.4789 2.8365 2.8559 2.9726 3.0112 3.2030 3.2059 3.2383 3.2439 3.2824 3.2900 3.3874 3.3977 3.4235 3.4332 4.4117 4.4164 4.5069 4.5323 4.6510 4.6584 4.6696 4.6869 4.7197 4.7226 4.8778 4.9164 4.9747 4.9887 5.1734 5.2170 5.3177 5.3246 5.4299 5.4499 5.8443 5.8446 6.3263 6.3330 6.4646 6.4690 6.6629 6.6834 6.8020 6.8081 7.3189 7.3350 9.0258 9.0511 9.5224 9.5527 9.9958 10.0002 11.3145 11.3164 11.7720 11.7837 k = 0.3472 0.2507 0.7675 ( 5884 PWs) bands (ev): -7.9230 -7.9229 -6.6195 -6.6194 -6.6004 -6.5998 -6.5437 -6.5433 -3.3084 -3.3081 0.7402 0.7417 0.8555 0.8591 1.2554 1.2590 2.4236 2.4339 2.8346 2.8603 2.9564 3.0041 3.2025 3.2054 3.2370 3.2438 3.2829 3.2911 3.3904 3.3982 3.4340 3.4486 4.4075 4.4139 4.5100 4.5370 4.6438 4.6589 4.6671 4.6833 4.7191 4.7225 4.8795 4.9246 4.9752 4.9895 5.1544 5.2055 5.3076 5.3174 5.4335 5.4587 5.8789 5.8812 6.3029 6.3094 6.4541 6.4585 6.6917 6.7124 6.7958 6.8027 7.2925 7.3069 9.0517 9.0826 9.4727 9.5102 10.0122 10.0176 11.2892 11.2919 11.8147 11.8346 k = 0.3611 0.2608 0.7551 ( 5876 PWs) bands (ev): -7.9235 -7.9235 -6.6235 -6.6228 -6.5996 -6.5990 -6.5416 -6.5416 -3.3059 -3.3056 0.7260 0.7264 0.8645 0.8703 1.3047 1.3086 2.3758 2.3876 2.8268 2.8552 2.9493 3.0029 3.2017 3.2043 3.2356 3.2433 3.2803 3.2886 3.3935 3.3989 3.4456 3.4642 4.4034 4.4113 4.5133 4.5413 4.6353 4.6595 4.6656 4.6800 4.7181 4.7220 4.8818 4.9327 4.9767 4.9903 5.1353 5.1931 5.2984 5.3111 5.4368 5.4670 5.9129 5.9176 6.2812 6.2875 6.4419 6.4465 6.7207 6.7391 6.7886 6.7965 7.2668 7.2771 9.0780 9.1154 9.4266 9.4725 10.0262 10.0328 11.2639 11.2677 11.8421 11.8599 k = 0.3750 0.2708 0.7427 ( 5870 PWs) bands (ev): -7.9240 -7.9240 -6.6276 -6.6262 -6.5984 -6.5977 -6.5407 -6.5401 -3.3028 -3.3026 0.7142 0.7147 0.8748 0.8824 1.3547 1.3588 2.3268 2.3402 2.8152 2.8425 2.9497 3.0057 3.2008 3.2029 3.2341 3.2422 3.2752 3.2839 3.3965 3.3999 3.4573 3.4793 4.3996 4.4088 4.5168 4.5450 4.6262 4.6597 4.6644 4.6775 4.7168 4.7212 4.8846 4.9402 4.9795 4.9910 5.1166 5.1801 5.2900 5.3056 5.4395 5.4748 5.9453 5.9529 6.2612 6.2672 6.4281 6.4332 6.7475 6.7589 6.7813 6.7920 7.2442 7.2477 9.1026 9.1477 9.3862 9.4419 10.0382 10.0459 11.2386 11.2435 11.8650 11.8827 k = 0.3889 0.2808 0.7303 ( 5874 PWs) bands (ev): -7.9245 -7.9244 -6.6318 -6.6298 -6.5967 -6.5961 -6.5404 -6.5394 -3.2992 -3.2990 0.7051 0.7064 0.8859 0.8954 1.4052 1.4093 2.2771 2.2923 2.8021 2.8267 2.9532 3.0104 3.1995 3.2011 3.2326 3.2399 3.2685 3.2783 3.3995 3.4011 3.4681 3.4929 4.3960 4.4063 4.5203 4.5480 4.6168 4.6591 4.6632 4.6763 4.7152 4.7203 4.8878 4.9466 4.9839 4.9917 5.0987 5.1670 5.2823 5.3008 5.4414 5.4817 5.9754 5.9863 6.2428 6.2484 6.4129 6.4188 6.7602 6.7625 6.7835 6.7954 7.2218 7.2284 9.1230 9.1758 9.3552 9.4210 10.0485 10.0573 11.2133 11.2194 11.8845 11.9031 k = 0.4028 0.2909 0.7180 ( 5872 PWs) bands (ev): -7.9248 -7.9247 -6.6363 -6.6337 -6.5948 -6.5941 -6.5407 -6.5391 -3.2950 -3.2949 0.6993 0.7013 0.8977 0.9091 1.4556 1.4596 2.2269 2.2441 2.7891 2.8109 2.9570 3.0152 3.1981 3.1989 3.2310 3.2359 3.2606 3.2732 3.4025 3.4026 3.4776 3.5050 4.3928 4.4039 4.5238 4.5505 4.6076 4.6574 4.6618 4.6766 4.7134 4.7193 4.8911 4.9518 4.9898 4.9922 5.0822 5.1544 5.2752 5.2966 5.4422 5.4875 6.0028 6.0175 6.2257 6.2310 6.3966 6.4038 6.7523 6.7536 6.7983 6.8000 7.2031 7.2227 9.1366 9.1931 9.3402 9.4121 10.0571 10.0671 11.1880 11.1953 11.8995 11.9193 k = 0.4167 0.3009 0.7056 ( 5879 PWs) bands (ev): -7.9251 -7.9250 -6.6412 -6.6380 -6.5924 -6.5918 -6.5414 -6.5393 -3.2903 -3.2903 0.6967 0.6993 0.9101 0.9232 1.5057 1.5092 2.1768 2.1963 2.7774 2.7964 2.9596 3.0189 3.1963 3.1964 3.2292 3.2298 3.2520 3.2696 3.4044 3.4055 3.4854 3.5150 4.3901 4.4014 4.5272 4.5523 4.5985 4.6552 4.6601 4.6780 4.7114 4.7184 4.8944 4.9558 4.9926 4.9968 5.0675 5.1429 5.2685 5.2929 5.4419 5.4921 6.0271 6.0460 6.2095 6.2145 6.3797 6.3886 6.7399 6.7403 6.7954 6.8058 7.1958 7.2295 9.1425 9.1941 9.3464 9.4160 10.0641 10.0751 11.1628 11.1713 11.9083 11.9295 k = 0.4306 0.3109 0.6932 ( 5884 PWs) bands (ev): -7.9254 -7.9252 -6.6465 -6.6428 -6.5896 -6.5890 -6.5422 -6.5396 -3.2853 -3.2852 0.6973 0.7004 0.9228 0.9377 1.5549 1.5574 2.1273 2.1495 2.7677 2.7842 2.9603 3.0204 3.1933 3.1945 3.2223 3.2270 3.2435 3.2677 3.4065 3.4085 3.4915 3.5231 4.3880 4.3989 4.5303 4.5537 4.5900 4.6530 4.6582 4.6801 4.7095 4.7176 4.8972 4.9590 4.9927 5.0042 5.0553 5.1330 5.2623 5.2895 5.4402 5.4951 6.0483 6.0714 6.1938 6.1986 6.3627 6.3735 6.7247 6.7258 6.7805 6.8009 7.2022 7.2483 9.1419 9.1833 9.3691 9.4310 10.0695 10.0815 11.1380 11.1477 11.9100 11.9327 k = 0.4444 0.3209 0.6809 ( 5887 PWs) bands (ev): -7.9256 -7.9255 -6.6524 -6.6482 -6.5865 -6.5859 -6.5428 -6.5399 -3.2799 -3.2798 0.7010 0.7047 0.9360 0.9525 1.6024 1.6032 2.0791 2.1048 2.7603 2.7743 2.9587 3.0191 3.1894 3.1921 3.2146 3.2235 3.2363 3.2670 3.4088 3.4116 3.4959 3.5290 4.3863 4.3962 4.5329 4.5547 4.5820 4.6511 4.6559 4.6826 4.7076 4.7171 4.8991 4.9616 4.9925 5.0110 5.0463 5.1256 5.2565 5.2866 5.4373 5.4966 6.0662 6.0936 6.1782 6.1826 6.3460 6.3590 6.7072 6.7108 6.7578 6.7844 7.2212 7.2764 9.1377 9.1693 9.3992 9.4537 10.0730 10.0858 11.1139 11.1246 11.9045 11.9288 k = 0.4583 0.3310 0.6685 ( 5877 PWs) bands (ev): -7.9260 -7.9258 -6.6589 -6.6544 -6.5830 -6.5824 -6.5432 -6.5399 -3.2744 -3.2742 0.7078 0.7119 0.9494 0.9677 1.6451 1.6468 2.0336 2.0636 2.7554 2.7669 2.9548 3.0141 3.1846 3.1893 3.2081 3.2176 3.2318 3.2672 3.4113 3.4147 3.4986 3.5329 4.3853 4.3935 4.5350 4.5554 4.5751 4.6498 4.6533 4.6851 4.7059 4.7168 4.8996 4.9638 4.9921 5.0167 5.0409 5.1213 5.2512 5.2839 5.4329 5.4964 6.0806 6.1115 6.1624 6.1659 6.3301 6.3453 6.6878 6.6953 6.7315 6.7599 7.2491 7.3100 9.1323 9.1565 9.4315 9.4811 10.0744 10.0880 11.0912 11.1026 11.8932 11.9189 k = 0.4722 0.3410 0.6561 ( 5880 PWs) bands (ev): -7.9265 -7.9263 -6.6660 -6.6612 -6.5792 -6.5785 -6.5431 -6.5396 -3.2688 -3.2685 0.7174 0.7220 0.9634 0.9832 1.6805 1.6860 1.9930 2.0285 2.7530 2.7617 2.9487 3.0051 3.1788 3.1857 3.2032 3.2104 3.2295 3.2679 3.4141 3.4177 3.4997 3.5348 4.3847 4.3905 4.5360 4.5558 4.5694 4.6492 4.6505 4.6875 4.7044 4.7168 4.8985 4.9654 4.9917 5.0205 5.0390 5.1206 5.2465 5.2817 5.4274 5.4943 6.0911 6.1227 6.1479 6.1479 6.3153 6.3324 6.6664 6.6799 6.7060 6.7317 7.2821 7.3459 9.1274 9.1467 9.4637 9.5106 10.0733 10.0876 11.0705 11.0824 11.8779 11.9050 k = 0.4861 0.3510 0.6438 ( 5890 PWs) bands (ev): -7.9272 -7.9270 -6.6737 -6.6688 -6.5749 -6.5743 -6.5424 -6.5388 -3.2633 -3.2630 0.7298 0.7348 0.9778 0.9991 1.7054 1.7155 1.9616 2.0033 2.7528 2.7580 2.9408 2.9920 3.1729 3.1808 3.1999 3.2035 3.2282 3.2689 3.4170 3.4208 3.4994 3.5349 4.3845 4.3872 4.5355 4.5561 4.5655 4.6473 4.6495 4.6896 4.7031 4.7169 4.8956 4.9665 4.9919 5.0223 5.0403 5.1236 5.2426 5.2800 5.4207 5.4904 6.0970 6.1176 6.1283 6.1427 6.3016 6.3203 6.6439 6.6652 6.6845 6.7036 7.3166 7.3816 9.1236 9.1400 9.4945 9.5406 10.0694 10.0842 11.0529 11.0649 11.8604 11.8886 k = 0.5000 0.3611 0.6314 ( 5892 PWs) bands (ev): -7.9282 -7.9279 -6.6818 -6.6768 -6.5704 -6.5697 -6.5409 -6.5373 -3.2580 -3.2576 0.7447 0.7500 0.9930 1.0157 1.7152 1.7283 1.9463 1.9926 2.7545 2.7550 2.9321 2.9751 3.1673 3.1744 3.1975 3.1981 3.2273 3.2702 3.4201 3.4239 3.4979 3.5333 4.3836 4.3848 4.5335 4.5564 4.5635 4.6439 4.6506 4.6913 4.7023 4.7174 4.8915 4.9670 4.9928 5.0225 5.0442 5.1298 5.2397 5.2789 5.4133 5.4846 6.0971 6.0996 6.1074 6.1425 6.2887 6.3083 6.6230 6.6518 6.6678 6.6788 7.3503 7.4154 9.1206 9.1359 9.5233 9.5701 10.0622 10.0774 11.0395 11.0511 11.8422 11.8714 k = 0.5000 0.3611 0.6314 ( 5892 PWs) bands (ev): -7.9282 -7.9279 -6.6818 -6.6768 -6.5704 -6.5697 -6.5409 -6.5373 -3.2580 -3.2576 0.7447 0.7500 0.9930 1.0157 1.7152 1.7283 1.9463 1.9926 2.7545 2.7550 2.9321 2.9751 3.1673 3.1744 3.1975 3.1981 3.2273 3.2702 3.4201 3.4239 3.4979 3.5333 4.3836 4.3848 4.5335 4.5564 4.5635 4.6439 4.6506 4.6913 4.7023 4.7174 4.8915 4.9670 4.9928 5.0225 5.0442 5.1298 5.2397 5.2789 5.4133 5.4846 6.0971 6.0996 6.1074 6.1425 6.2887 6.3083 6.6230 6.6518 6.6678 6.6788 7.3503 7.4154 9.1206 9.1359 9.5233 9.5701 10.0622 10.0774 11.0395 11.0511 11.8422 11.8714 k = 0.5000 0.3611 0.6103 ( 5888 PWs) bands (ev): -7.9303 -7.9301 -6.6962 -6.6912 -6.5620 -6.5613 -6.5376 -6.5342 -3.2494 -3.2489 0.7731 0.7789 1.0207 1.0455 1.7168 1.7318 1.9378 1.9886 2.7474 2.7586 2.9175 2.9405 3.1597 3.1615 3.1920 3.1950 3.2265 3.2728 3.4257 3.4292 3.4942 3.5287 4.3766 4.3855 4.5288 4.5569 4.5614 4.6379 4.6536 4.6934 4.7016 4.7183 4.8842 4.9677 4.9949 5.0218 5.0535 5.1430 5.2359 5.2777 5.4005 5.4731 6.0614 6.0654 6.0938 6.1388 6.2690 6.2890 6.5904 6.6285 6.6432 6.6444 7.4065 7.4709 9.1147 9.1293 9.5679 9.6169 10.0448 10.0604 11.0233 11.0338 11.8106 11.8414 k = 0.5000 0.3611 0.5893 ( 5876 PWs) bands (ev): -7.9328 -7.9325 -6.7110 -6.7061 -6.5530 -6.5524 -6.5338 -6.5306 -3.2411 -3.2404 0.8035 0.8097 1.0506 1.0776 1.7175 1.7344 1.9295 1.9845 2.7339 2.7629 2.9010 2.9054 3.1495 3.1547 3.1879 3.1936 3.2266 3.2761 3.4316 3.4346 3.4902 3.5231 4.3684 4.3861 4.5243 4.5571 4.5589 4.6316 4.6575 4.6945 4.7013 4.7193 4.8781 4.9690 4.9970 5.0212 5.0646 5.1571 5.2323 5.2767 5.3887 5.4615 6.0176 6.0195 6.0882 6.1344 6.2525 6.2723 6.5578 6.5970 6.6173 6.6223 7.4634 7.5271 9.1060 9.1201 9.6064 9.6576 10.0229 10.0387 11.0127 11.0218 11.7785 11.8108 k = 0.5000 0.3611 0.5682 ( 5870 PWs) bands (ev): -7.9356 -7.9353 -6.7264 -6.7214 -6.5435 -6.5432 -6.5294 -6.5264 -3.2331 -3.2323 0.8358 0.8424 1.0825 1.1117 1.7171 1.7356 1.9218 1.9804 2.7137 2.7668 2.8586 2.8969 3.1395 3.1516 3.1848 3.1930 3.2274 3.2800 3.4380 3.4400 3.4863 3.5169 4.3590 4.3860 4.5203 4.5557 4.5571 4.6256 4.6619 4.6946 4.7016 4.7203 4.8733 4.9711 4.9989 5.0206 5.0773 5.1720 5.2289 5.2757 5.3780 5.4497 5.9699 5.9702 6.0819 6.1288 6.2381 6.2574 6.5263 6.5624 6.5960 6.6009 7.5200 7.5832 9.0945 9.1083 9.6377 9.6908 9.9962 10.0121 11.0078 11.0155 11.7469 11.7807 k = 0.5000 0.3611 0.5472 ( 5872 PWs) bands (ev): -7.9388 -7.9385 -6.7420 -6.7371 -6.5339 -6.5335 -6.5239 -6.5217 -3.2258 -3.2248 0.8699 0.8769 1.1164 1.1476 1.7152 1.7349 1.9151 1.9767 2.6870 2.7682 2.8166 2.8922 3.1319 3.1498 3.1823 3.1929 3.2288 3.2844 3.4446 3.4456 3.4827 3.5104 4.3481 4.3844 4.5170 4.5516 4.5568 4.6202 4.6666 4.6941 4.7025 4.7212 4.8699 4.9739 5.0007 5.0202 5.0918 5.1878 5.2258 5.2751 5.3686 5.4381 5.9181 5.9204 6.0747 6.1216 6.2251 6.2437 6.4965 6.5290 6.5757 6.5799 7.5756 7.6383 9.0806 9.0943 9.6606 9.7153 9.9646 9.9804 11.0086 11.0148 11.7166 11.7520 k = 0.5000 0.3611 0.5262 ( 5868 PWs) bands (ev): -7.9424 -7.9420 -6.7579 -6.7531 -6.5251 -6.5231 -6.5169 -6.5164 -3.2192 -3.2180 0.9056 0.9130 1.1519 1.1852 1.7116 1.7317 1.9099 1.9735 2.6550 2.7518 2.7912 2.8907 3.1262 3.1487 3.1803 3.1932 3.2308 3.2892 3.4512 3.4516 3.4799 3.5038 4.3358 4.3806 4.5151 4.5465 4.5564 4.6158 4.6708 4.6933 4.7044 4.7221 4.8680 4.9774 5.0024 5.0199 5.1080 5.2046 5.2233 5.2749 5.3607 5.4267 5.8653 5.8693 6.0666 6.1128 6.2130 6.2309 6.4691 6.4978 6.5555 6.5591 7.6295 7.6915 9.0647 9.0785 9.6745 9.7302 9.9282 9.9436 11.0150 11.0198 11.6882 11.7252 k = 0.5000 0.3611 0.5051 ( 5884 PWs) bands (ev): -7.9463 -7.9459 -6.7739 -6.7692 -6.5172 -6.5125 -6.5102 -6.5079 -3.2135 -3.2122 0.9429 0.9507 1.1888 1.2242 1.7061 1.7257 1.9067 1.9710 2.6193 2.7104 2.7903 2.8912 3.1223 3.1480 3.1790 3.1935 3.2334 3.2944 3.4569 3.4590 3.4782 3.4975 4.3219 4.3739 4.5147 4.5406 4.5558 4.6126 4.6737 4.6925 4.7075 4.7228 4.8673 4.9814 5.0037 5.0196 5.1260 5.2206 5.2234 5.2751 5.3545 5.4156 5.8123 5.8177 6.0575 6.1022 6.2013 6.2184 6.4442 6.4689 6.5354 6.5386 7.6808 7.7420 9.0473 9.0615 9.6789 9.7349 9.8873 9.9021 11.0265 11.0299 11.6623 11.7009 k = 0.5000 0.3611 0.4841 ( 5870 PWs) bands (ev): -7.9505 -7.9502 -6.7900 -6.7854 -6.5096 -6.5040 -6.5008 -6.4976 -3.2089 -3.2073 0.9816 0.9898 1.2270 1.2645 1.6984 1.7165 1.9057 1.9694 2.5811 2.6641 2.7941 2.8932 3.1197 3.1477 3.1783 3.1938 3.2365 3.2999 3.4627 3.4667 3.4782 3.4920 4.3067 4.3639 4.5157 4.5345 4.5554 4.6107 4.6752 4.6917 4.7122 4.7235 4.8680 4.9859 5.0049 5.0194 5.1459 5.2206 5.2420 5.2761 5.3500 5.4053 5.7599 5.7663 6.0476 6.0900 6.1898 6.2061 6.4219 6.4427 6.5154 6.5183 7.7288 7.7890 9.0292 9.0440 9.6737 9.7291 9.8428 9.8562 11.0424 11.0444 11.6391 11.6793 k = 0.5000 0.3611 0.4630 ( 5868 PWs) bands (ev): -7.9551 -7.9547 -6.8061 -6.8015 -6.5018 -6.4965 -6.4895 -6.4866 -3.2054 -3.2036 1.0216 1.0302 1.2661 1.3057 1.6886 1.7044 1.9069 1.9689 2.5416 2.6174 2.7986 2.8957 3.1181 3.1477 3.1783 3.1937 3.2401 3.3057 3.4685 3.4746 3.4800 3.4877 4.2900 4.3505 4.5165 4.5301 4.5550 4.6098 4.6754 4.6907 4.7181 4.7240 4.8697 4.9903 5.0057 5.0192 5.1675 5.2213 5.2624 5.2779 5.3475 5.3957 5.7087 5.7155 6.0368 6.0763 6.1783 6.1939 6.4023 6.4191 6.4954 6.4981 7.7728 7.8316 9.0111 9.0267 9.6590 9.7122 9.7957 9.8068 11.0617 11.0622 11.6189 11.6605 k = 0.5000 0.3611 0.4420 ( 5872 PWs) bands (ev): -7.9601 -7.9596 -6.8220 -6.8176 -6.4934 -6.4884 -6.4780 -6.4752 -3.2030 -3.2011 1.0627 1.0719 1.3058 1.3474 1.6767 1.6897 1.9099 1.9693 2.5014 2.5711 2.8030 2.8982 3.1173 3.1479 3.1790 3.1933 3.2440 3.3116 3.4744 3.4811 3.4839 3.4865 4.2718 4.3338 4.5137 4.5307 4.5548 4.6098 4.6748 4.6897 4.7242 4.7245 4.8724 4.9941 5.0061 5.0192 5.1906 5.2238 5.2810 5.2840 5.3470 5.3870 5.6591 5.6656 6.0253 6.0613 6.1668 6.1817 6.3852 6.3980 6.4754 6.4781 7.8121 7.8691 8.9934 9.0102 9.6351 9.6836 9.7482 9.7546 11.0818 11.0830 11.6019 11.6447 k = 0.5000 0.3611 0.4209 ( 5860 PWs) bands (ev): -7.9652 -7.9648 -6.8378 -6.8334 -6.4845 -6.4796 -6.4663 -6.4636 -3.2019 -3.1999 1.1049 1.1146 1.3460 1.3894 1.6631 1.6728 1.9145 1.9707 2.4613 2.5258 2.8070 2.9003 3.1172 3.1483 3.1803 3.1924 3.2482 3.3176 3.4809 3.4816 3.4896 3.4934 4.2523 4.3142 4.5082 4.5355 4.5548 4.6107 4.6738 4.6886 4.7243 4.7310 4.8758 4.9967 5.0061 5.0198 5.2148 5.2284 5.2857 5.3064 5.3493 5.3794 5.6119 5.6173 6.0133 6.0454 6.1553 6.1694 6.3704 6.3795 6.4556 6.4583 7.8463 7.9012 8.9769 8.9951 9.6025 9.6428 9.7008 9.7021 11.1014 11.1047 11.5881 11.6315 k = 0.5000 0.3611 0.3999 ( 5860 PWs) bands (ev): -7.9707 -7.9702 -6.8533 -6.8490 -6.4749 -6.4702 -6.4545 -6.4519 -3.2021 -3.1999 1.1479 1.1581 1.3861 1.4311 1.6483 1.6543 1.9202 1.9729 2.4217 2.4818 2.8104 2.9015 3.1176 3.1490 3.1822 3.1912 3.2526 3.3236 3.4821 3.4883 3.4966 3.5026 4.2314 4.2920 4.5025 4.5417 4.5549 4.6120 4.6726 4.6874 4.7241 4.7371 4.8797 4.9972 5.0055 5.0216 5.2354 5.2387 5.2933 5.3275 5.3559 5.3731 5.5677 5.5707 6.0010 6.0290 6.1436 6.1568 6.3576 6.3632 6.4358 6.4386 7.8749 7.9274 8.9618 8.9817 9.5616 9.5923 9.6464 9.6568 11.1189 11.1250 11.5775 11.6206 k = 0.5000 0.3611 0.3788 ( 5862 PWs) bands (ev): -7.9763 -7.9758 -6.8684 -6.8643 -6.4648 -6.4602 -6.4427 -6.4402 -3.2035 -3.2011 1.1915 1.2023 1.4258 1.4713 1.6332 1.6348 1.9267 1.9758 2.3830 2.4394 2.8127 2.9014 3.1186 3.1499 3.1848 3.1900 3.2571 3.3294 3.4844 3.4969 3.5048 3.5125 4.2094 4.2676 4.4972 4.5485 4.5554 4.6138 4.6714 4.6862 4.7237 4.7424 4.8838 4.9954 5.0042 5.0244 5.2446 5.2595 5.3057 5.3426 5.3679 5.3711 5.5268 5.5276 5.9887 6.0123 6.1319 6.1442 6.3465 6.3490 6.4162 6.4192 7.8979 7.9476 8.9484 8.9700 9.5137 9.5359 9.5919 9.6099 11.1323 11.1421 11.5698 11.6115 k = 0.5000 0.3611 0.3578 ( 5860 PWs) bands (ev): -7.9820 -7.9816 -6.8830 -6.8791 -6.4542 -6.4497 -6.4310 -6.4285 -3.2060 -3.2036 1.2356 1.2469 1.4645 1.5077 1.6153 1.6205 1.9338 1.9791 2.3455 2.3989 2.8138 2.8997 3.1203 3.1511 3.1879 3.1889 3.2616 3.3349 3.4887 3.5066 3.5139 3.5228 4.1864 4.2415 4.4927 4.5554 4.5562 4.6160 4.6704 4.6849 4.7233 4.7470 4.8879 4.9919 5.0022 5.0280 5.2562 5.2744 5.3241 5.3523 5.3640 5.3919 5.4881 5.4939 5.9767 5.9958 6.1201 6.1313 6.3366 6.3368 6.3968 6.4000 7.9152 7.9620 8.9367 8.9602 9.4603 9.4768 9.5372 9.5602 11.1394 11.1540 11.5647 11.6030 k = 0.5000 0.3611 0.3367 ( 5860 PWs) bands (ev): -7.9879 -7.9874 -6.8972 -6.8935 -6.4432 -6.4388 -6.4195 -6.4171 -3.2097 -3.2071 1.2800 1.2915 1.5007 1.5330 1.5974 1.6175 1.9411 1.9827 2.3096 2.3604 2.8136 2.8960 3.1227 3.1525 3.1882 3.1916 3.2660 3.3399 3.4950 3.5172 3.5239 3.5335 4.1625 4.2141 4.4891 4.5573 4.5621 4.6184 4.6697 4.6836 4.7228 4.7507 4.8916 4.9871 4.9992 5.0315 5.2697 5.2843 5.3405 5.3607 5.3640 5.4017 5.4673 5.4713 5.9652 5.9799 6.1082 6.1183 6.3256 6.3281 6.3776 6.3810 7.9273 7.9710 8.9265 8.9518 9.4037 9.4165 9.4819 9.5074 11.1388 11.1588 11.5605 11.5925 k = 0.5000 0.3611 0.3157 ( 5856 PWs) bands (ev): -7.9938 -7.9933 -6.9109 -6.9073 -6.4319 -6.4276 -6.4082 -6.4058 -3.2143 -3.2118 1.3243 1.3356 1.5286 1.5366 1.5874 1.6349 1.9485 1.9864 2.2754 2.3242 2.8117 2.8902 3.1259 3.1541 3.1882 3.1957 3.2702 3.3445 3.5030 3.5282 3.5350 3.5445 4.1379 4.1856 4.4867 4.5589 4.5683 4.6212 4.6693 4.6823 4.7223 4.7535 4.8948 4.9814 4.9951 5.0348 5.2847 5.2902 5.3396 5.3655 5.3751 5.3853 5.4670 5.4817 5.9546 5.9649 6.0962 6.1051 6.3158 6.3201 6.3587 6.3624 7.9347 7.9751 8.9175 8.9446 9.3454 9.3564 9.4256 9.4519 11.1293 11.1552 11.5296 11.5404 k = 0.5000 0.3611 0.2946 ( 5856 PWs) bands (ev): -7.9996 -7.9992 -6.9239 -6.9205 -6.4204 -6.4163 -6.3972 -6.3949 -3.2199 -3.2173 1.3684 1.3778 1.5247 1.5341 1.6003 1.6666 1.9558 1.9901 2.2432 2.2903 2.8081 2.8822 3.1299 3.1560 3.1891 3.2004 3.2743 3.3484 3.5125 3.5394 3.5470 3.5559 4.1128 4.1564 4.4854 4.5609 4.5739 4.6241 4.6694 4.6810 4.7221 4.7554 4.8972 4.9751 4.9897 5.0374 5.2887 5.2995 5.3330 5.3440 5.3860 5.3862 5.4839 5.5122 5.9450 5.9511 6.0841 6.0917 6.3069 6.3126 6.3403 6.3442 7.9378 7.9751 8.9093 8.9379 9.2870 9.2973 9.3682 9.3942 11.1109 11.1423 11.4590 11.4675 k = 0.5000 0.3611 0.2736 ( 5860 PWs) bands (ev): -8.0054 -8.0050 -6.9362 -6.9331 -6.4088 -6.4049 -6.3866 -6.3844 -3.2262 -3.2236 1.4117 1.4154 1.5074 1.5266 1.6296 1.7026 1.9629 1.9935 2.2131 2.2589 2.8028 2.8721 3.1347 3.1582 3.1908 3.2054 3.2782 3.3516 3.5234 3.5508 3.5597 3.5674 4.0874 4.1269 4.4853 4.5631 4.5788 4.6271 4.6699 4.6796 4.7221 4.7564 4.8986 4.9685 4.9827 5.0391 5.2755 5.2982 5.3294 5.3338 5.3953 5.3969 5.5149 5.5476 5.9367 5.9390 6.0719 6.0781 6.2984 6.3053 6.3226 6.3265 7.9376 7.9717 8.9015 8.9314 9.2295 9.2398 9.3101 9.3350 11.0844 11.1199 11.3900 11.3976 k = 0.5000 0.3611 0.2526 ( 5860 PWs) bands (ev): -8.0110 -8.0106 -6.9479 -6.9449 -6.3973 -6.3935 -6.3764 -6.3742 -3.2330 -3.2304 1.4400 1.4534 1.4892 1.5273 1.6618 1.7392 1.9696 1.9966 2.1853 2.2302 2.7958 2.8600 3.1401 3.1607 3.1933 3.2107 3.2819 3.3541 3.5352 3.5623 3.5725 3.5790 4.0620 4.0973 4.4867 4.5656 4.5829 4.6302 4.6710 4.6784 4.7227 4.7566 4.8990 4.9616 4.9742 5.0396 5.2559 5.2693 5.3410 5.3436 5.4049 5.4094 5.5530 5.5854 5.9287 5.9298 6.0595 6.0644 6.2899 6.2977 6.3060 6.3097 7.9346 7.9657 8.8938 8.9246 9.1735 9.1845 9.2517 9.2749 11.0512 11.0893 11.3249 11.3317 k = 0.5000 0.3611 0.2315 ( 5866 PWs) bands (ev): -8.0164 -8.0161 -6.9587 -6.9560 -6.3860 -6.3824 -6.3667 -6.3647 -3.2403 -3.2377 1.4430 1.4662 1.4985 1.5481 1.6935 1.7749 1.9760 1.9991 2.1599 2.2043 2.7872 2.8461 3.1460 3.1636 3.1966 3.2162 3.2856 3.3558 3.5476 3.5738 3.5853 3.5904 4.0368 4.0681 4.4895 4.5682 4.5861 4.6333 4.6724 4.6774 4.7240 4.7561 4.8984 4.9547 4.9639 5.0383 5.2355 5.2387 5.3511 5.3621 5.4158 5.4223 5.5946 5.6248 5.9205 5.9244 6.0471 6.0506 6.2800 6.2880 6.2916 6.2955 7.9297 7.9579 8.8857 8.9173 9.1197 9.1319 9.1937 9.2146 11.0134 11.0521 11.2641 11.2702 k = 0.5000 0.3611 0.2105 ( 5866 PWs) bands (ev): -8.0216 -8.0212 -6.9688 -6.9663 -6.3750 -6.3716 -6.3576 -6.3557 -3.2477 -3.2453 1.4326 1.4482 1.5373 1.5811 1.7239 1.8092 1.9818 2.0011 2.1373 2.1813 2.7772 2.8308 3.1520 3.1668 3.2006 3.2217 3.2892 3.3569 3.5605 3.5852 3.5978 3.6017 4.0121 4.0396 4.4939 4.5708 4.5886 4.6364 4.6730 4.6783 4.7260 4.7548 4.8969 4.9478 4.9522 5.0346 5.2106 5.2165 5.3626 5.3814 5.4279 5.4351 5.6380 5.6649 5.9148 5.9206 6.0346 6.0367 6.2675 6.2745 6.2808 6.2855 7.9235 7.9489 8.8773 8.9094 9.0683 9.0825 9.1370 9.1550 10.9731 11.0109 11.2079 11.2133 k = 0.5000 0.3611 0.1894 ( 5884 PWs) bands (ev): -8.0264 -8.0261 -6.9779 -6.9757 -6.3646 -6.3614 -6.3492 -6.3473 -3.2552 -3.2529 1.4182 1.4301 1.5752 1.6169 1.7526 1.8412 1.9870 2.0026 2.1175 2.1613 2.7662 2.8144 3.1580 3.1701 3.2050 3.2269 3.2930 3.3573 3.5734 3.5963 3.6097 3.6124 3.9882 4.0120 4.4997 4.5733 4.5902 4.6393 4.6718 4.6814 4.7290 4.7529 4.8944 4.9392 4.9410 5.0277 5.1862 5.1998 5.3748 5.4008 5.4407 5.4470 5.6824 5.7051 5.9116 5.9182 6.0221 6.0229 6.2539 6.2602 6.2719 6.2768 7.9166 7.9393 8.8683 8.9009 9.0195 9.0365 9.0827 9.0972 10.9323 10.9680 11.1565 11.1613 k = 0.5000 0.3611 0.1684 ( 5880 PWs) bands (ev): -8.0309 -8.0306 -6.9862 -6.9842 -6.3547 -6.3518 -6.3414 -6.3397 -3.2625 -3.2603 1.4034 1.4129 1.6109 1.6516 1.7795 1.8704 1.9917 2.0037 2.1006 2.1442 2.7545 2.7974 3.1639 3.1735 3.2098 3.2317 3.2969 3.3571 3.5861 3.6069 3.6208 3.6226 3.9655 3.9860 4.5072 4.5758 4.5913 4.6421 4.6700 4.6855 4.7329 4.7509 4.8909 4.9258 4.9344 5.0168 5.1668 5.1857 5.3875 5.4200 5.4540 5.4577 5.7269 5.7450 5.9110 5.9169 6.0093 6.0099 6.2407 6.2467 6.2633 6.2677 7.9094 7.9295 8.8586 8.8919 8.9732 8.9942 9.0321 9.0424 10.8928 10.9255 11.1100 11.1142 k = 0.5000 0.3611 0.1473 ( 5888 PWs) bands (ev): -8.0350 -8.0347 -6.9936 -6.9919 -6.3456 -6.3430 -6.3344 -6.3328 -3.2694 -3.2675 1.3892 1.3972 1.6440 1.6836 1.8044 1.8957 1.9960 2.0052 2.0869 2.1302 2.7424 2.7801 3.1695 3.1769 3.2147 3.2359 3.3012 3.3563 3.5983 3.6168 3.6309 3.6320 3.9443 3.9616 4.5162 4.5778 4.5917 4.6449 4.6679 4.6893 4.7379 4.7495 4.8857 4.9134 4.9279 5.0016 5.1525 5.1739 5.4003 5.4387 5.4665 5.4673 5.7708 5.7834 5.9130 5.9162 5.9963 5.9982 6.2287 6.2343 6.2544 6.2579 7.9024 7.9199 8.8482 8.8826 8.9294 8.9557 8.9866 8.9922 10.8560 10.8851 11.0687 11.0723 k = 0.5000 0.3611 0.1263 ( 5882 PWs) bands (ev): -8.0386 -8.0383 -7.0001 -6.9985 -6.3375 -6.3351 -6.3281 -6.3267 -3.2758 -3.2741 1.3763 1.3830 1.6740 1.7117 1.8273 1.9155 1.9999 2.0081 2.0760 2.1189 2.7306 2.7629 3.1746 3.1801 3.2197 3.2393 3.3058 3.3549 3.6098 3.6259 3.6399 3.6404 3.9250 3.9393 4.5268 4.5796 4.5916 4.6475 4.6653 4.6913 4.7439 4.7503 4.8778 4.9040 4.9214 4.9830 5.1429 5.1642 5.4127 5.4565 5.4733 5.4802 5.8134 5.8191 5.9157 5.9175 5.9844 5.9875 6.2181 6.2233 6.2449 6.2472 7.8959 7.9109 8.8365 8.8731 8.8884 8.9208 8.9472 8.9486 10.8230 10.8481 11.0326 11.0357 k = 0.5000 0.3611 0.1052 ( 5884 PWs) bands (ev): -8.0417 -8.0415 -7.0055 -7.0043 -6.3304 -6.3283 -6.3227 -6.3214 -3.2815 -3.2800 1.3651 1.3706 1.7007 1.7352 1.8481 1.9284 2.0039 2.0139 2.0679 2.1100 2.7195 2.7465 3.1791 3.1831 3.2245 3.2418 3.3107 3.3530 3.6204 3.6339 3.6476 3.6477 3.9078 3.9195 4.5389 4.5811 4.5912 4.6500 4.6621 4.6898 4.7509 4.7551 4.8668 4.8984 4.9149 4.9621 5.1370 5.1564 5.4246 5.4724 5.4785 5.4923 5.8502 5.8538 5.9145 5.9248 5.9744 5.9785 6.2089 6.2138 6.2348 6.2357 7.8902 7.9027 8.8226 8.8499 8.8651 8.8905 8.9134 8.9142 10.7944 10.8154 11.0020 11.0045 k = 0.5000 0.3611 0.0842 ( 5880 PWs) bands (ev): -8.0443 -8.0441 -7.0100 -7.0090 -6.3244 -6.3226 -6.3182 -6.3171 -3.2863 -3.2851 1.3558 1.3601 1.7238 1.7536 1.8667 1.9340 2.0082 2.0223 2.0625 2.1029 2.7098 2.7314 3.1830 3.1857 3.2289 3.2434 3.3159 3.3505 3.6299 3.6408 3.6538 3.6540 3.8933 3.9024 4.5522 4.5824 4.5906 4.6525 4.6577 4.6847 4.7587 4.7641 4.8546 4.8957 4.9077 4.9408 5.1338 5.1500 5.4357 5.4788 5.4894 5.5031 5.8737 5.8909 5.9124 5.9352 5.9676 5.9716 6.2012 6.2060 6.2237 6.2244 7.8854 7.8955 8.8054 8.8171 8.8569 8.8672 8.8865 8.8876 10.7709 10.7877 10.9768 10.9788 k = 0.5000 0.3611 0.0631 ( 5892 PWs) bands (ev): -8.0463 -8.0462 -7.0135 -7.0127 -6.3196 -6.3183 -6.3145 -6.3136 -3.2902 -3.2893 1.3485 1.3517 1.7429 1.7667 1.8829 1.9340 2.0129 2.0303 2.0606 2.0970 2.7019 2.7182 3.1861 3.1878 3.2329 3.2441 3.3211 3.3476 3.6379 3.6461 3.6586 3.6589 3.8817 3.8885 4.5666 4.5834 4.5897 4.6511 4.6550 4.6779 4.7672 4.7763 4.8428 4.8948 4.8977 4.9223 5.1323 5.1448 5.4457 5.4791 5.5019 5.5120 5.8875 5.9080 5.9249 5.9468 5.9665 5.9667 6.1949 6.1997 6.2119 6.2142 7.8818 7.8894 8.7865 8.7903 8.8500 8.8521 8.8668 8.8671 10.7527 10.7654 10.9572 10.9587 k = 0.5000 0.3611 0.0421 ( 5902 PWs) bands (ev): -8.0478 -8.0477 -7.0159 -7.0154 -6.3162 -6.3153 -6.3117 -6.3111 -3.2930 -3.2923 1.3434 1.3455 1.7580 1.7745 1.8966 1.9306 2.0179 2.0336 2.0640 2.0914 2.6966 2.7075 3.1884 3.1894 3.2364 3.2440 3.3263 3.3442 3.6443 3.6498 3.6620 3.6623 3.8735 3.8780 4.5813 4.5844 4.5893 4.6413 4.6576 4.6717 4.7762 4.7892 4.8336 4.8818 4.8953 4.9106 5.1322 5.1406 5.4546 5.4774 5.5119 5.5185 5.8938 5.9043 5.9517 5.9530 5.9636 5.9738 6.1902 6.1948 6.2018 6.2052 7.8795 7.8846 8.7698 8.7705 8.8430 8.8446 8.8526 8.8534 10.7402 10.7487 10.9432 10.9442 k = 0.5000 0.3611 0.0210 ( 5902 PWs) bands (ev): -8.0486 -8.0486 -7.0174 -7.0171 -6.3140 -6.3136 -6.3099 -6.3096 -3.2946 -3.2943 1.3405 1.3416 1.7689 1.7773 1.9080 1.9248 2.0232 2.0321 2.0711 2.0855 2.6943 2.6998 3.1898 3.1903 3.2393 3.2431 3.3313 3.3403 3.6488 3.6516 3.6641 3.6643 3.8689 3.8711 4.5853 4.5869 4.5984 4.6285 4.6603 4.6670 4.7854 4.7968 4.8324 4.8625 4.8970 4.9041 5.1331 5.1373 5.4624 5.4739 5.5188 5.5220 5.8965 5.9009 5.9558 5.9605 5.9717 5.9814 6.1871 6.1899 6.1964 6.1989 7.8786 7.8812 8.7585 8.7585 8.8382 8.8403 8.8445 8.8457 10.7335 10.7377 10.9349 10.9354 k = 0.5000 0.3611-0.0000 ( 5910 PWs) bands (ev): -8.0489 -8.0489 -7.0178 -7.0178 -6.3132 -6.3132 -6.3092 -6.3092 -3.2951 -3.2951 1.3399 1.3399 1.7753 1.7753 1.9173 1.9173 2.0281 2.0281 2.0788 2.0788 2.6953 2.6953 3.1905 3.1905 3.2415 3.2415 3.3360 3.3360 3.6513 3.6513 3.6648 3.6648 3.8680 3.8680 4.5862 4.5862 4.6138 4.6138 4.6633 4.6633 4.7936 4.7936 4.8442 4.8442 4.8999 4.8999 5.1348 5.1348 5.4688 5.4688 5.5222 5.5222 5.8983 5.8983 5.9583 5.9583 5.9815 5.9815 6.1867 6.1867 6.1959 6.1959 7.8791 7.8791 8.7545 8.7545 8.8374 8.8374 8.8429 8.8429 10.7327 10.7327 10.9323 10.9323 k = 0.0000 0.0000 0.8541 ( 5884 PWs) bands (ev): -7.9196 -7.9196 -6.6168 -6.6168 -6.5790 -6.5790 -6.5666 -6.5666 -3.3172 -3.3172 0.5926 0.5926 0.8546 0.8546 1.6969 1.6969 2.0055 2.0055 2.7385 2.7385 3.0386 3.0386 3.2037 3.2037 3.2500 3.2500 3.3731 3.3731 3.4012 3.4012 3.4992 3.4992 4.4022 4.4022 4.5520 4.5520 4.6115 4.6115 4.6681 4.6681 4.7117 4.7117 4.9734 4.9734 4.9901 4.9901 5.0412 5.0412 5.2773 5.2773 5.5404 5.5404 6.1207 6.1207 6.2362 6.2362 6.5014 6.5014 6.8007 6.8007 6.9474 6.9474 7.0326 7.0326 9.0790 9.0790 9.1663 9.1663 10.1034 10.1034 11.3115 11.3115 11.8956 11.8956 k = 0.0167 0.0120 0.8541 ( 5876 PWs) bands (ev): -7.9196 -7.9196 -6.6167 -6.6167 -6.5791 -6.5791 -6.5666 -6.5666 -3.3172 -3.3172 0.5943 0.5943 0.8540 0.8540 1.6833 1.6833 2.0190 2.0190 2.7407 2.7407 3.0375 3.0375 3.2037 3.2037 3.2500 3.2500 3.3731 3.3731 3.4012 3.4012 3.4977 3.4977 4.4025 4.4025 4.5512 4.5512 4.6126 4.6126 4.6680 4.6680 4.7120 4.7120 4.9715 4.9715 4.9886 4.9886 5.0455 5.0455 5.2778 5.2778 5.5395 5.5395 6.1151 6.1151 6.2374 6.2374 6.5013 6.5013 6.8012 6.8012 6.9489 6.9489 7.0326 7.0326 9.0805 9.0805 9.1686 9.1686 10.1027 10.1027 11.3117 11.3117 11.8929 11.8929 k = 0.0333 0.0241 0.8541 ( 5866 PWs) bands (ev): -7.9196 -7.9196 -6.6165 -6.6165 -6.5794 -6.5794 -6.5667 -6.5667 -3.3170 -3.3170 0.5993 0.5993 0.8523 0.8523 1.6480 1.6480 2.0539 2.0539 2.7472 2.7472 3.0342 3.0342 3.2039 3.2039 3.2498 3.2498 3.3730 3.3730 3.4010 3.4010 3.4930 3.4930 4.4031 4.4031 4.5489 4.5489 4.6157 4.6157 4.6679 4.6679 4.7126 4.7126 4.9654 4.9654 4.9863 4.9863 5.0562 5.0562 5.2790 5.2790 5.5369 5.5369 6.0990 6.0990 6.2410 6.2410 6.5010 6.5010 6.8026 6.8026 6.9502 6.9502 7.0357 7.0357 9.0834 9.0834 9.1769 9.1769 10.1005 10.1005 11.3121 11.3121 11.8853 11.8853 k = 0.0500 0.0361 0.8541 ( 5862 PWs) bands (ev): -7.9196 -7.9196 -6.6160 -6.6160 -6.5799 -6.5799 -6.5667 -6.5667 -3.3169 -3.3169 0.6075 0.6075 0.8496 0.8496 1.6002 1.6002 2.1010 2.1010 2.7577 2.7577 3.0289 3.0289 3.2042 3.2042 3.2494 3.2494 3.3729 3.3729 3.4008 3.4008 3.4853 3.4853 4.4042 4.4042 4.5455 4.5455 4.6203 4.6203 4.6677 4.6677 4.7137 4.7137 4.9565 4.9565 4.9849 4.9849 5.0704 5.0704 5.2810 5.2810 5.5326 5.5326 6.0740 6.0740 6.2469 6.2469 6.5006 6.5006 6.8043 6.8043 6.9436 6.9436 7.0490 7.0490 9.0841 9.0841 9.1944 9.1944 10.0968 10.0968 11.3129 11.3129 11.8735 11.8735 k = 0.0667 0.0481 0.8541 ( 5870 PWs) bands (ev): -7.9196 -7.9196 -6.6153 -6.6153 -6.5806 -6.5806 -6.5668 -6.5668 -3.3166 -3.3166 0.6190 0.6190 0.8460 0.8460 1.5462 1.5462 2.1540 2.1540 2.7719 2.7719 3.0217 3.0217 3.2046 3.2046 3.2490 3.2490 3.3725 3.3725 3.4003 3.4003 3.4747 3.4747 4.4056 4.4056 4.5414 4.5414 4.6260 4.6260 4.6674 4.6674 4.7149 4.7149 4.9463 4.9463 4.9841 4.9841 5.0866 5.0866 5.2839 5.2839 5.5266 5.5266 6.0422 6.0422 6.2550 6.2550 6.4999 6.4999 6.8060 6.8060 6.9255 6.9255 7.0749 7.0749 9.0800 9.0800 9.2230 9.2230 10.0914 10.0914 11.3143 11.3143 11.8589 11.8589 k = 0.0833 0.0602 0.8541 ( 5872 PWs) bands (ev): -7.9196 -7.9196 -6.6145 -6.6145 -6.5814 -6.5814 -6.5668 -6.5668 -3.3163 -3.3163 0.6338 0.6338 0.8417 0.8417 1.4892 1.4892 2.2097 2.2097 2.7893 2.7893 3.0128 3.0128 3.2050 3.2050 3.2484 3.2484 3.3718 3.3718 3.3997 3.3997 3.4616 3.4616 4.4074 4.4074 4.5369 4.5369 4.6323 4.6323 4.6673 4.6673 4.7163 4.7163 4.9362 4.9362 4.9836 4.9836 5.1039 5.1039 5.2877 5.2877 5.5190 5.5190 6.0056 6.0056 6.2654 6.2654 6.4992 6.4992 6.8074 6.8074 6.8986 6.8986 7.1099 7.1099 9.0712 9.0712 9.2617 9.2617 10.0841 10.0841 11.3165 11.3165 11.8427 11.8427 k = 0.1000 0.0722 0.8541 ( 5882 PWs) bands (ev): -7.9195 -7.9195 -6.6135 -6.6135 -6.5825 -6.5825 -6.5669 -6.5669 -3.3160 -3.3160 0.6518 0.6518 0.8368 0.8368 1.4310 1.4310 2.2663 2.2663 2.8088 2.8088 3.0028 3.0028 3.2054 3.2054 3.2477 3.2477 3.3704 3.3704 3.3989 3.3989 3.4465 3.4465 4.4094 4.4094 4.5322 4.5322 4.6390 4.6390 4.6674 4.6674 4.7177 4.7177 4.9264 4.9264 4.9831 4.9831 5.1221 5.1221 5.2926 5.2926 5.5099 5.5099 5.9661 5.9661 6.2781 6.2781 6.4983 6.4983 6.8082 6.8082 6.8658 6.8658 7.1502 7.1502 9.0586 9.0586 9.3085 9.3085 10.0745 10.0745 11.3200 11.3200 11.8257 11.8257 k = 0.1167 0.0842 0.8541 ( 5882 PWs) bands (ev): -7.9195 -7.9195 -6.6123 -6.6123 -6.5836 -6.5836 -6.5670 -6.5670 -3.3156 -3.3156 0.6729 0.6729 0.8317 0.8317 1.3726 1.3726 2.3226 2.3226 2.8290 2.8290 2.9929 2.9929 3.2059 3.2059 3.2471 3.2471 3.3674 3.3674 3.3975 3.3975 3.4307 3.4307 4.4117 4.4117 4.5275 4.5275 4.6454 4.6454 4.6681 4.6681 4.7190 4.7190 4.9174 4.9174 4.9828 4.9828 5.1407 5.1407 5.2987 5.2987 5.4994 5.4994 5.9255 5.9255 6.2931 6.2931 6.4974 6.4974 6.8062 6.8062 6.8314 6.8314 7.1928 7.1928 9.0436 9.0436 9.3613 9.3613 10.0624 10.0624 11.3251 11.3251 11.8083 11.8083 k = 0.1333 0.0963 0.8541 ( 5884 PWs) bands (ev): -7.9195 -7.9195 -6.6110 -6.6110 -6.5850 -6.5850 -6.5671 -6.5671 -3.3152 -3.3152 0.6971 0.6971 0.8265 0.8265 1.3147 1.3147 2.3779 2.3779 2.8468 2.8468 2.9857 2.9857 3.2063 3.2063 3.2463 3.2463 3.3607 3.3607 3.3952 3.3952 3.4168 3.4168 4.4142 4.4142 4.5229 4.5229 4.6509 4.6509 4.6699 4.6699 4.7200 4.7200 4.9092 4.9092 4.9825 4.9825 5.1595 5.1595 5.3059 5.3059 5.4877 5.4877 5.8851 5.8851 6.3104 6.3104 6.4965 6.4965 6.7825 6.7825 6.8159 6.8159 7.2356 7.2356 9.0270 9.0270 9.4185 9.4185 10.0474 10.0474 11.3323 11.3323 11.7880 11.7880 k = 0.1500 0.1083 0.8541 ( 5884 PWs) bands (ev): -7.9195 -7.9195 -6.6096 -6.6096 -6.5864 -6.5864 -6.5671 -6.5671 -3.3149 -3.3149 0.7244 0.7244 0.8215 0.8215 1.2576 1.2576 2.4318 2.4318 2.8572 2.8572 2.9855 2.9855 3.2065 3.2065 3.2456 3.2456 3.3473 3.3473 3.3919 3.3919 3.4083 3.4083 4.4167 4.4167 4.5186 4.5186 4.6548 4.6548 4.6734 4.6734 4.7207 4.7207 4.9020 4.9020 4.9823 4.9823 5.1781 5.1781 5.3144 5.3144 5.4750 5.4750 5.8462 5.8462 6.3300 6.3300 6.4956 6.4956 6.7426 6.7426 6.8149 6.8149 7.2768 7.2768 9.0099 9.0099 9.4782 9.4782 10.0290 10.0290 11.3421 11.3421 11.7541 11.7541 k = 0.1667 0.1204 0.8541 ( 5890 PWs) bands (ev): -7.9195 -7.9195 -6.6081 -6.6081 -6.5880 -6.5880 -6.5672 -6.5672 -3.3145 -3.3145 0.7545 0.7545 0.8170 0.8170 1.2017 1.2017 2.4837 2.4837 2.8556 2.8556 2.9967 2.9967 3.2065 3.2065 3.2449 3.2449 3.3269 3.3269 3.3890 3.3890 3.4045 3.4045 4.4192 4.4192 4.5146 4.5146 4.6569 4.6569 4.6784 4.6784 4.7208 4.7208 4.8957 4.8957 4.9820 4.9820 5.1960 5.1960 5.3240 5.3240 5.4615 5.4615 5.8099 5.8099 6.3521 6.3521 6.4948 6.4948 6.7008 6.7008 6.8152 6.8152 7.3147 7.3147 8.9932 8.9932 9.5392 9.5392 10.0069 10.0069 11.3550 11.3550 11.7077 11.7077 k = 0.1833 0.1324 0.8541 ( 5894 PWs) bands (ev): -7.9195 -7.9195 -6.6065 -6.6065 -6.5896 -6.5896 -6.5673 -6.5673 -3.3142 -3.3142 0.7872 0.7872 0.8134 0.8134 1.1474 1.1474 2.5333 2.5333 2.8424 2.8424 3.0183 3.0183 3.2059 3.2059 3.2442 3.2442 3.3019 3.3019 3.3873 3.3873 3.4027 3.4027 4.4215 4.4215 4.5110 4.5110 4.6580 4.6580 4.6842 4.6842 4.7203 4.7203 4.8905 4.8905 4.9818 4.9818 5.2125 5.2125 5.3346 5.3346 5.4476 5.4476 5.7775 5.7775 6.3764 6.3764 6.4941 6.4941 6.6589 6.6589 6.8157 6.8157 7.3479 7.3479 8.9778 8.9778 9.5999 9.5999 9.9807 9.9807 11.3714 11.3714 11.6583 11.6583 k = 0.2000 0.1444 0.8541 ( 5890 PWs) bands (ev): -7.9194 -7.9194 -6.6048 -6.6048 -6.5913 -6.5913 -6.5673 -6.5673 -3.3140 -3.3140 0.8075 0.8075 0.8258 0.8258 1.0948 1.0948 2.5798 2.5798 2.8213 2.8213 3.0461 3.0461 3.2039 3.2039 3.2437 3.2437 3.2755 3.2755 3.3864 3.3864 3.4018 3.4018 4.4235 4.4235 4.5081 4.5081 4.6585 4.6585 4.6901 4.6901 4.7191 4.7191 4.8865 4.8865 4.9817 4.9817 5.2269 5.2269 5.3460 5.3460 5.4336 5.4336 5.7502 5.7502 6.4029 6.4029 6.4936 6.4936 6.6180 6.6180 6.8161 6.8161 7.3753 7.3753 8.9646 8.9646 9.6590 9.6590 9.9502 9.9502 11.3920 11.3920 11.6095 11.6095 k = 0.2167 0.1565 0.8541 ( 5882 PWs) bands (ev): -7.9194 -7.9194 -6.6032 -6.6032 -6.5929 -6.5929 -6.5674 -6.5674 -3.3138 -3.3138 0.8061 0.8061 0.8635 0.8635 1.0441 1.0441 2.6223 2.6223 2.7959 2.7959 3.0762 3.0762 3.1984 3.1984 3.2429 3.2429 3.2519 3.2519 3.3860 3.3860 3.4012 3.4012 4.4251 4.4251 4.5059 4.5059 4.6587 4.6587 4.6955 4.6955 4.7175 4.7175 4.8836 4.8836 4.9816 4.9816 5.2384 5.2384 5.3575 5.3575 5.4200 5.4200 5.7293 5.7293 6.4314 6.4314 6.4935 6.4935 6.5786 6.5786 6.8164 6.8164 7.3957 7.3957 8.9545 8.9545 9.7150 9.7150 9.9156 9.9156 11.4170 11.4170 11.5630 11.5630 k = 0.2333 0.1685 0.8541 ( 5890 PWs) bands (ev): -7.9194 -7.9194 -6.6017 -6.6017 -6.5944 -6.5944 -6.5674 -6.5674 -3.3137 -3.3137 0.8047 0.8047 0.9047 0.9047 0.9956 0.9956 2.6576 2.6576 2.7705 2.7705 3.1043 3.1043 3.1863 3.1863 3.2353 3.2353 3.2439 3.2439 3.3858 3.3858 3.4009 3.4009 4.4260 4.4260 4.5044 4.5044 4.6588 4.6588 4.6996 4.6996 4.7155 4.7155 4.8818 4.8818 4.9815 4.9815 5.2458 5.2458 5.3681 5.3681 5.4083 5.4083 5.7161 5.7161 6.4602 6.4602 6.4943 6.4943 6.5423 6.5423 6.8166 6.8166 7.4083 7.4083 8.9481 8.9481 9.7653 9.7653 9.8786 9.8786 11.4467 11.4467 11.5198 11.5198 k = 0.2500 0.1805 0.8541 ( 5896 PWs) bands (ev): -7.9194 -7.9194 -6.6006 -6.6006 -6.5955 -6.5955 -6.5674 -6.5674 -3.3136 -3.3136 0.8042 0.8042 0.9468 0.9468 0.9510 0.9510 2.6741 2.6741 2.7573 2.7573 3.1187 3.1187 3.1766 3.1766 3.2311 3.2311 3.2438 3.2438 3.3858 3.3858 3.4008 3.4008 4.4264 4.4264 4.5039 4.5039 4.6589 4.6589 4.7013 4.7013 4.7145 4.7145 4.8812 4.8812 4.9814 4.9814 5.2483 5.2483 5.3735 5.3735 5.4025 5.4025 5.7115 5.7115 6.4772 6.4772 6.4988 6.4988 6.5184 6.5184 6.8167 6.8167 7.4125 7.4125 8.9459 8.9459 9.7942 9.7942 9.8542 9.8542 11.4791 11.4791 11.4828 11.4828 Writing output data file Cu3AsSe4.save init_run : 4.63s CPU 13.37s WALL ( 1 calls) electrons : 1323.66s CPU 1332.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 1323.62s CPU 1332.25s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.65s WALL ( 1 calls) newd : 0.51s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 280 calls) cegterg : 1224.21s CPU 1229.74s WALL ( 576 calls) Called by sum_band: Called by *egterg: h_psi : 634.49s CPU 641.82s WALL ( 9706 calls) s_psi : 34.42s CPU 34.72s WALL ( 9706 calls) g_psi : 1.02s CPU 1.13s WALL ( 8850 calls) cdiaghg : 431.35s CPU 429.67s WALL ( 9130 calls) cegterg:over : 89.11s CPU 87.04s WALL ( 8850 calls) cegterg:upda : 27.81s CPU 30.08s WALL ( 8850 calls) cegterg:last : 19.86s CPU 20.30s WALL ( 1416 calls) Called by h_psi: h_psi:vloc : 560.46s CPU 566.16s WALL ( 9706 calls) h_psi:vnl : 73.50s CPU 74.62s WALL ( 9706 calls) add_vuspsi : 26.20s CPU 29.23s WALL ( 9706 calls) General routines calbec : 47.25s CPU 45.31s WALL ( 9706 calls) fft : 0.19s CPU 1.02s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 531.94s CPU 535.86s WALL ( 1342288 calls) interpolate : 0.11s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 7.40s WALL ( 560 calls) Parallel routines fft_scatter : 299.21s CPU 300.05s WALL ( 1342311 calls) PWSCF : 23m27.40s CPU 26m55.94s WALL This run was terminated on: 13:42:49 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=