Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NiP2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 23 6 996 588 93 Max 34 24 7 999 606 101 Sum 1197 849 251 35881 21529 3493 bravais-lattice index = 14 lattice parameter (alat) = 8.0038 a.u. unit-cell volume = 586.9284 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.003774 celldm(2)= 1.000000 celldm(3)= 1.327143 celldm(4)= 0.370619 celldm(5)= 0.370619 celldm(6)= 0.124602 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.124602 0.992207 0.000000 ) a(3) = ( 0.491864 0.433958 1.153715 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.125581 -0.379094 ) b(2) = ( 0.000000 1.007854 -0.379094 ) b(3) = ( 0.000000 0.000000 0.866765 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0086768 0.0076553 -0.0064773), wk = 0.0028249 k( 3) = ( 0.0173535 0.0153106 -0.0129545), wk = 0.0028249 k( 4) = ( 0.0260303 0.0229658 -0.0194318), wk = 0.0028249 k( 5) = ( 0.0347071 0.0306211 -0.0259091), wk = 0.0028249 k( 6) = ( 0.0433839 0.0382764 -0.0323863), wk = 0.0028249 k( 7) = ( 0.0520606 0.0459317 -0.0388636), wk = 0.0028249 k( 8) = ( 0.0607374 0.0535870 -0.0453409), wk = 0.0028249 k( 9) = ( 0.0694142 0.0612423 -0.0518181), wk = 0.0028249 k( 10) = ( 0.0780909 0.0688975 -0.0582954), wk = 0.0028249 k( 11) = ( 0.0867677 0.0765528 -0.0647726), wk = 0.0028249 k( 12) = ( 0.0954445 0.0842081 -0.0712499), wk = 0.0028249 k( 13) = ( 0.1041212 0.0918634 -0.0777272), wk = 0.0028249 k( 14) = ( 0.1127980 0.0995187 -0.0842044), wk = 0.0028249 k( 15) = ( 0.1214748 0.1071740 -0.0906817), wk = 0.0028249 k( 16) = ( 0.1301516 0.1148292 -0.0971590), wk = 0.0028249 k( 17) = ( 0.1388283 0.1224845 -0.1036362), wk = 0.0028249 k( 18) = ( 0.1475051 0.1301398 -0.1101135), wk = 0.0028249 k( 19) = ( 0.1561819 0.1377951 -0.1165908), wk = 0.0028249 k( 20) = ( 0.1648586 0.1454504 -0.1230680), wk = 0.0028249 k( 21) = ( 0.1735354 0.1531056 -0.1295453), wk = 0.0028249 k( 22) = ( 0.1822122 0.1607609 -0.1360226), wk = 0.0028249 k( 23) = ( 0.1908889 0.1684162 -0.1424998), wk = 0.0028249 k( 24) = ( 0.1995657 0.1760715 -0.1489771), wk = 0.0028249 k( 25) = ( 0.2082425 0.1837268 -0.1554543), wk = 0.0028249 k( 26) = ( 0.2169193 0.1913821 -0.1619316), wk = 0.0028249 k( 27) = ( 0.2255960 0.1990373 -0.1684089), wk = 0.0028249 k( 28) = ( 0.2342728 0.2066926 -0.1748861), wk = 0.0028249 k( 29) = ( 0.2429496 0.2143479 -0.1813634), wk = 0.0028249 k( 30) = ( 0.2516263 0.2220032 -0.1878407), wk = 0.0028249 k( 31) = ( 0.2603031 0.2296585 -0.1943179), wk = 0.0028249 k( 32) = ( 0.2689799 0.2373137 -0.2007952), wk = 0.0028249 k( 33) = ( 0.2776566 0.2449690 -0.2072725), wk = 0.0028249 k( 34) = ( 0.2863334 0.2526243 -0.2137497), wk = 0.0028249 k( 35) = ( 0.2950102 0.2602796 -0.2202270), wk = 0.0028249 k( 36) = ( 0.3036869 0.2679349 -0.2267043), wk = 0.0028249 k( 37) = ( 0.3123637 0.2755902 -0.2331815), wk = 0.0028249 k( 38) = ( 0.3210405 0.2832454 -0.2396588), wk = 0.0028249 k( 39) = ( 0.3297173 0.2909007 -0.2461360), wk = 0.0028249 k( 40) = ( 0.3383940 0.2985560 -0.2526133), wk = 0.0028249 k( 41) = ( 0.3470708 0.3062113 -0.2590906), wk = 0.0028249 k( 42) = ( 0.3557476 0.3138666 -0.2655678), wk = 0.0028249 k( 43) = ( 0.3644243 0.3215219 -0.2720451), wk = 0.0028249 k( 44) = ( 0.3731011 0.3291771 -0.2785224), wk = 0.0028249 k( 45) = ( 0.3817779 0.3368324 -0.2849996), wk = 0.0028249 k( 46) = ( 0.3904546 0.3444877 -0.2914769), wk = 0.0028249 k( 47) = ( 0.3991314 0.3521430 -0.2979542), wk = 0.0028249 k( 48) = ( 0.4078082 0.3597983 -0.3044314), wk = 0.0028249 k( 49) = ( 0.4164850 0.3674536 -0.3109087), wk = 0.0028249 k( 50) = ( 0.4251617 0.3751088 -0.3173860), wk = 0.0028249 k( 51) = ( 0.4338385 0.3827641 -0.3238632), wk = 0.0028249 k( 52) = ( 0.4425153 0.3904194 -0.3303405), wk = 0.0028249 k( 53) = ( 0.4511920 0.3980747 -0.3368177), wk = 0.0028249 k( 54) = ( 0.4598688 0.4057300 -0.3432950), wk = 0.0028249 k( 55) = ( 0.4685456 0.4133852 -0.3497723), wk = 0.0028249 k( 56) = ( 0.4772223 0.4210405 -0.3562495), wk = 0.0028249 k( 57) = ( 0.4858991 0.4286958 -0.3627268), wk = 0.0028249 k( 58) = ( 0.4945759 0.4363511 -0.3692041), wk = 0.0028249 k( 59) = ( 0.4945759 0.4363511 -0.3692041), wk = 0.0028249 k( 60) = ( 0.4991361 0.4403744 -0.3585076), wk = 0.0028249 k( 61) = ( 0.5036963 0.4443978 -0.3478112), wk = 0.0028249 k( 62) = ( 0.5082565 0.4484211 -0.3371148), wk = 0.0028249 k( 63) = ( 0.5128167 0.4524445 -0.3264184), wk = 0.0028249 k( 64) = ( 0.5173769 0.4564679 -0.3157219), wk = 0.0028249 k( 65) = ( 0.5219371 0.4604912 -0.3050255), wk = 0.0028249 k( 66) = ( 0.5219371 0.4604912 -0.3050255), wk = 0.0028249 k( 67) = ( 0.5211247 0.4597744 -0.2917176), wk = 0.0028249 k( 68) = ( 0.5203122 0.4590575 -0.2784097), wk = 0.0028249 k( 69) = ( 0.5194997 0.4583407 -0.2651017), wk = 0.0028249 k( 70) = ( 0.5186872 0.4576239 -0.2517938), wk = 0.0028249 k( 71) = ( 0.5178747 0.4569070 -0.2384859), wk = 0.0028249 k( 72) = ( 0.5170622 0.4561902 -0.2251780), wk = 0.0028249 k( 73) = ( 0.5162497 0.4554734 -0.2118701), wk = 0.0028249 k( 74) = ( 0.5154372 0.4547565 -0.1985621), wk = 0.0028249 k( 75) = ( 0.5146248 0.4540397 -0.1852542), wk = 0.0028249 k( 76) = ( 0.5138123 0.4533228 -0.1719463), wk = 0.0028249 k( 77) = ( 0.5129998 0.4526060 -0.1586384), wk = 0.0028249 k( 78) = ( 0.5121873 0.4518892 -0.1453304), wk = 0.0028249 k( 79) = ( 0.5113748 0.4511723 -0.1320225), wk = 0.0028249 k( 80) = ( 0.5105623 0.4504555 -0.1187146), wk = 0.0028249 k( 81) = ( 0.5097498 0.4497387 -0.1054067), wk = 0.0028249 k( 82) = ( 0.5089373 0.4490218 -0.0920988), wk = 0.0028249 k( 83) = ( 0.5081249 0.4483050 -0.0787908), wk = 0.0028249 k( 84) = ( 0.5073124 0.4475882 -0.0654829), wk = 0.0028249 k( 85) = ( 0.5064999 0.4468713 -0.0521750), wk = 0.0028249 k( 86) = ( 0.5056874 0.4461545 -0.0388671), wk = 0.0028249 k( 87) = ( 0.5048749 0.4454377 -0.0255591), wk = 0.0028249 k( 88) = ( 0.5040624 0.4447208 -0.0122512), wk = 0.0028249 k( 89) = ( 0.5032499 0.4440040 0.0010567), wk = 0.0028249 k( 90) = ( 0.5024375 0.4432872 0.0143646), wk = 0.0028249 k( 91) = ( 0.5016250 0.4425703 0.0276725), wk = 0.0028249 k( 92) = ( 0.5008125 0.4418535 0.0409805), wk = 0.0028249 k( 93) = ( 0.5000000 0.4411366 0.0542884), wk = 0.0028249 k( 94) = ( 0.5000000 0.4411366 0.0542884), wk = 0.0028249 k( 95) = ( 0.5085198 0.4314800 0.0542884), wk = 0.0028249 k( 96) = ( 0.5170397 0.4218233 0.0542884), wk = 0.0028249 k( 97) = ( 0.5255595 0.4121666 0.0542884), wk = 0.0028249 k( 98) = ( 0.5340793 0.4025099 0.0542884), wk = 0.0028249 k( 99) = ( 0.5425991 0.3928533 0.0542884), wk = 0.0028249 k( 100) = ( 0.5511190 0.3831966 0.0542884), wk = 0.0028249 k( 101) = ( 0.5596388 0.3735399 0.0542884), wk = 0.0028249 k( 102) = ( 0.5681586 0.3638832 0.0542884), wk = 0.0028249 k( 103) = ( 0.5766785 0.3542266 0.0542884), wk = 0.0028249 k( 104) = ( 0.5851983 0.3445699 0.0542884), wk = 0.0028249 k( 105) = ( 0.5937181 0.3349132 0.0542884), wk = 0.0028249 k( 106) = ( 0.6022379 0.3252565 0.0542884), wk = 0.0028249 k( 107) = ( 0.6107578 0.3155998 0.0542884), wk = 0.0028249 k( 108) = ( 0.6192776 0.3059432 0.0542884), wk = 0.0028249 k( 109) = ( 0.6277974 0.2962865 0.0542884), wk = 0.0028249 k( 110) = ( 0.6363173 0.2866298 0.0542884), wk = 0.0028249 k( 111) = ( 0.3636827 -0.4122110 0.4333826), wk = 0.0028249 k( 112) = ( 0.3548124 -0.4021571 0.4333826), wk = 0.0028249 k( 113) = ( 0.3459421 -0.3921031 0.4333826), wk = 0.0028249 k( 114) = ( 0.3370718 -0.3820492 0.4333826), wk = 0.0028249 k( 115) = ( 0.3282015 -0.3719953 0.4333826), wk = 0.0028249 k( 116) = ( 0.3193312 -0.3619414 0.4333826), wk = 0.0028249 k( 117) = ( 0.3104609 -0.3518874 0.4333826), wk = 0.0028249 k( 118) = ( 0.3015906 -0.3418335 0.4333826), wk = 0.0028249 k( 119) = ( 0.2927203 -0.3317796 0.4333826), wk = 0.0028249 k( 120) = ( 0.2838500 -0.3217256 0.4333826), wk = 0.0028249 k( 121) = ( 0.2749796 -0.3116717 0.4333826), wk = 0.0028249 k( 122) = ( 0.2661093 -0.3016178 0.4333826), wk = 0.0028249 k( 123) = ( 0.2572390 -0.2915639 0.4333826), wk = 0.0028249 k( 124) = ( 0.2483687 -0.2815099 0.4333826), wk = 0.0028249 k( 125) = ( 0.2394984 -0.2714560 0.4333826), wk = 0.0028249 k( 126) = ( 0.2306281 -0.2614021 0.4333826), wk = 0.0028249 k( 127) = ( 0.2217578 -0.2513482 0.4333826), wk = 0.0028249 k( 128) = ( 0.2128875 -0.2412942 0.4333826), wk = 0.0028249 k( 129) = ( 0.2040172 -0.2312403 0.4333826), wk = 0.0028249 k( 130) = ( 0.1951468 -0.2211864 0.4333826), wk = 0.0028249 k( 131) = ( 0.1862765 -0.2111325 0.4333826), wk = 0.0028249 k( 132) = ( 0.1774062 -0.2010785 0.4333826), wk = 0.0028249 k( 133) = ( 0.1685359 -0.1910246 0.4333826), wk = 0.0028249 k( 134) = ( 0.1596656 -0.1809707 0.4333826), wk = 0.0028249 k( 135) = ( 0.1507953 -0.1709167 0.4333826), wk = 0.0028249 k( 136) = ( 0.1419250 -0.1608628 0.4333826), wk = 0.0028249 k( 137) = ( 0.1330547 -0.1508089 0.4333826), wk = 0.0028249 k( 138) = ( 0.1241843 -0.1407550 0.4333826), wk = 0.0028249 k( 139) = ( 0.1153140 -0.1307010 0.4333826), wk = 0.0028249 k( 140) = ( 0.1064437 -0.1206471 0.4333826), wk = 0.0028249 k( 141) = ( 0.0975734 -0.1105932 0.4333826), wk = 0.0028249 k( 142) = ( 0.0887031 -0.1005393 0.4333826), wk = 0.0028249 k( 143) = ( 0.0798328 -0.0904853 0.4333826), wk = 0.0028249 k( 144) = ( 0.0709625 -0.0804314 0.4333826), wk = 0.0028249 k( 145) = ( 0.0620922 -0.0703775 0.4333826), wk = 0.0028249 k( 146) = ( 0.0532219 -0.0603236 0.4333826), wk = 0.0028249 k( 147) = ( 0.0443515 -0.0502696 0.4333826), wk = 0.0028249 k( 148) = ( 0.0354812 -0.0402157 0.4333826), wk = 0.0028249 k( 149) = ( 0.0266109 -0.0301618 0.4333826), wk = 0.0028249 k( 150) = ( 0.0177406 -0.0201079 0.4333826), wk = 0.0028249 k( 151) = ( 0.0088703 -0.0100539 0.4333826), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.4333826), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.4333826), wk = 0.0028249 k( 154) = ( 0.0099407 0.0087704 0.4333826), wk = 0.0028249 k( 155) = ( 0.0198815 0.0175409 0.4333826), wk = 0.0028249 k( 156) = ( 0.0298222 0.0263113 0.4333826), wk = 0.0028249 k( 157) = ( 0.0397629 0.0350818 0.4333826), wk = 0.0028249 k( 158) = ( 0.0497037 0.0438522 0.4333826), wk = 0.0028249 k( 159) = ( 0.0596444 0.0526227 0.4333826), wk = 0.0028249 k( 160) = ( 0.0695852 0.0613931 0.4333826), wk = 0.0028249 k( 161) = ( 0.0795259 0.0701636 0.4333826), wk = 0.0028249 k( 162) = ( 0.0894666 0.0789340 0.4333826), wk = 0.0028249 k( 163) = ( 0.0994074 0.0877045 0.4333826), wk = 0.0028249 k( 164) = ( 0.1093481 0.0964749 0.4333826), wk = 0.0028249 k( 165) = ( 0.1192888 0.1052454 0.4333826), wk = 0.0028249 k( 166) = ( 0.1292296 0.1140158 0.4333826), wk = 0.0028249 k( 167) = ( 0.1391703 0.1227862 0.4333826), wk = 0.0028249 k( 168) = ( 0.1491110 0.1315567 0.4333826), wk = 0.0028249 k( 169) = ( 0.1590518 0.1403271 0.4333826), wk = 0.0028249 k( 170) = ( 0.1689925 0.1490976 0.4333826), wk = 0.0028249 k( 171) = ( 0.1789333 0.1578680 0.4333826), wk = 0.0028249 k( 172) = ( 0.1888740 0.1666385 0.4333826), wk = 0.0028249 k( 173) = ( 0.1988147 0.1754089 0.4333826), wk = 0.0028249 k( 174) = ( 0.2087555 0.1841794 0.4333826), wk = 0.0028249 k( 175) = ( 0.2186962 0.1929498 0.4333826), wk = 0.0028249 k( 176) = ( 0.2286369 0.2017203 0.4333826), wk = 0.0028249 k( 177) = ( 0.2385777 0.2104907 0.4333826), wk = 0.0028249 k( 178) = ( 0.2485184 0.2192612 0.4333826), wk = 0.0028249 k( 179) = ( 0.2584592 0.2280316 0.4333826), wk = 0.0028249 k( 180) = ( 0.2683999 0.2368021 0.4333826), wk = 0.0028249 k( 181) = ( 0.2783406 0.2455725 0.4333826), wk = 0.0028249 k( 182) = ( 0.2882814 0.2543429 0.4333826), wk = 0.0028249 k( 183) = ( 0.2982221 0.2631134 0.4333826), wk = 0.0028249 k( 184) = ( 0.3081628 0.2718838 0.4333826), wk = 0.0028249 k( 185) = ( 0.3181036 0.2806543 0.4333826), wk = 0.0028249 k( 186) = ( 0.3280443 0.2894247 0.4333826), wk = 0.0028249 k( 187) = ( 0.3379850 0.2981952 0.4333826), wk = 0.0028249 k( 188) = ( 0.3479258 0.3069656 0.4333826), wk = 0.0028249 k( 189) = ( 0.3578665 0.3157361 0.4333826), wk = 0.0028249 k( 190) = ( 0.3678072 0.3245065 0.4333826), wk = 0.0028249 k( 191) = ( 0.3777480 0.3332770 0.4333826), wk = 0.0028249 k( 192) = ( 0.3876887 0.3420474 0.4333826), wk = 0.0028249 k( 193) = ( 0.3976295 0.3508179 0.4333826), wk = 0.0028249 k( 194) = ( 0.4075702 0.3595883 0.4333826), wk = 0.0028249 k( 195) = ( 0.4175109 0.3683588 0.4333826), wk = 0.0028249 k( 196) = ( 0.4274517 0.3771292 0.4333826), wk = 0.0028249 k( 197) = ( 0.4373924 0.3858996 0.4333826), wk = 0.0028249 k( 198) = ( 0.4473332 0.3946701 0.4333826), wk = 0.0028249 k( 199) = ( 0.4572739 0.4034405 0.4333826), wk = 0.0028249 k( 200) = ( 0.4672146 0.4122110 0.4333826), wk = 0.0028249 k( 201) = ( 0.4672146 0.4122110 0.4333826), wk = 0.0028249 k( 202) = ( 0.4726387 0.4169965 0.4234925), wk = 0.0028249 k( 203) = ( 0.4780629 0.4217821 0.4136023), wk = 0.0028249 k( 204) = ( 0.5327854 -0.5377922 0.0542884), wk = 0.0028249 k( 205) = ( 0.5282252 -0.5418155 0.0435920), wk = 0.0028249 k( 206) = ( 0.5236650 -0.5458389 0.0328955), wk = 0.0028249 k( 207) = ( 0.5191048 -0.5498622 0.0221991), wk = 0.0028249 k( 208) = ( 0.5145445 -0.5538856 0.0115027), wk = 0.0028249 k( 209) = ( 0.5099843 -0.5579089 0.0008063), wk = 0.0028249 k( 210) = ( 0.5054241 -0.5619323 -0.0098902), wk = 0.0028249 k( 211) = ( 0.5054241 -0.5619323 -0.0098902), wk = 0.0028249 k( 212) = ( 0.5000000 -0.5667178 0.0000000), wk = 0.0028249 k( 213) = ( 0.5000000 -0.5667178 0.0000000), wk = 0.0028249 k( 214) = ( 0.4912281 -0.5567754 0.0000000), wk = 0.0028249 k( 215) = ( 0.4824561 -0.5468330 0.0000000), wk = 0.0028249 k( 216) = ( 0.4736842 -0.5368906 0.0000000), wk = 0.0028249 k( 217) = ( 0.4649123 -0.5269481 0.0000000), wk = 0.0028249 k( 218) = ( 0.4561404 -0.5170057 0.0000000), wk = 0.0028249 k( 219) = ( 0.4473684 -0.5070633 0.0000000), wk = 0.0028249 k( 220) = ( 0.4385965 -0.4971209 0.0000000), wk = 0.0028249 k( 221) = ( 0.4298246 -0.4871785 0.0000000), wk = 0.0028249 k( 222) = ( 0.4210526 -0.4772361 0.0000000), wk = 0.0028249 k( 223) = ( 0.4122807 -0.4672936 0.0000000), wk = 0.0028249 k( 224) = ( 0.4035088 -0.4573512 0.0000000), wk = 0.0028249 k( 225) = ( 0.3947368 -0.4474088 0.0000000), wk = 0.0028249 k( 226) = ( 0.3859649 -0.4374664 0.0000000), wk = 0.0028249 k( 227) = ( 0.3771930 -0.4275240 0.0000000), wk = 0.0028249 k( 228) = ( 0.3684211 -0.4175815 0.0000000), wk = 0.0028249 k( 229) = ( 0.3596491 -0.4076391 0.0000000), wk = 0.0028249 k( 230) = ( 0.3508772 -0.3976967 0.0000000), wk = 0.0028249 k( 231) = ( 0.3421053 -0.3877543 0.0000000), wk = 0.0028249 k( 232) = ( 0.3333333 -0.3778119 0.0000000), wk = 0.0028249 k( 233) = ( 0.3245614 -0.3678695 0.0000000), wk = 0.0028249 k( 234) = ( 0.3157895 -0.3579270 0.0000000), wk = 0.0028249 k( 235) = ( 0.3070175 -0.3479846 0.0000000), wk = 0.0028249 k( 236) = ( 0.2982456 -0.3380422 0.0000000), wk = 0.0028249 k( 237) = ( 0.2894737 -0.3280998 0.0000000), wk = 0.0028249 k( 238) = ( 0.2807018 -0.3181574 0.0000000), wk = 0.0028249 k( 239) = ( 0.2719298 -0.3082149 0.0000000), wk = 0.0028249 k( 240) = ( 0.2631579 -0.2982725 0.0000000), wk = 0.0028249 k( 241) = ( 0.2543860 -0.2883301 0.0000000), wk = 0.0028249 k( 242) = ( 0.2456140 -0.2783877 0.0000000), wk = 0.0028249 k( 243) = ( 0.2368421 -0.2684453 0.0000000), wk = 0.0028249 k( 244) = ( 0.2280702 -0.2585029 0.0000000), wk = 0.0028249 k( 245) = ( 0.2192983 -0.2485605 0.0000000), wk = 0.0028249 k( 246) = ( 0.2105263 -0.2386180 0.0000000), wk = 0.0028249 k( 247) = ( 0.2017544 -0.2286756 0.0000000), wk = 0.0028249 k( 248) = ( 0.1929825 -0.2187332 0.0000000), wk = 0.0028249 k( 249) = ( 0.1842105 -0.2087908 0.0000000), wk = 0.0028249 k( 250) = ( 0.1754386 -0.1988484 0.0000000), wk = 0.0028249 k( 251) = ( 0.1666667 -0.1889059 0.0000000), wk = 0.0028249 k( 252) = ( 0.1578947 -0.1789635 0.0000000), wk = 0.0028249 k( 253) = ( 0.1491228 -0.1690211 0.0000000), wk = 0.0028249 k( 254) = ( 0.1403509 -0.1590787 0.0000000), wk = 0.0028249 k( 255) = ( 0.1315790 -0.1491363 0.0000000), wk = 0.0028249 k( 256) = ( 0.1228070 -0.1391939 0.0000000), wk = 0.0028249 k( 257) = ( 0.1140351 -0.1292514 0.0000000), wk = 0.0028249 k( 258) = ( 0.1052632 -0.1193090 0.0000000), wk = 0.0028249 k( 259) = ( 0.0964912 -0.1093666 0.0000000), wk = 0.0028249 k( 260) = ( 0.0877193 -0.0994242 0.0000000), wk = 0.0028249 k( 261) = ( 0.0789474 -0.0894818 0.0000000), wk = 0.0028249 k( 262) = ( 0.0701754 -0.0795393 0.0000000), wk = 0.0028249 k( 263) = ( 0.0614035 -0.0695969 0.0000000), wk = 0.0028249 k( 264) = ( 0.0526316 -0.0596545 0.0000000), wk = 0.0028249 k( 265) = ( 0.0438597 -0.0497121 0.0000000), wk = 0.0028249 k( 266) = ( 0.0350877 -0.0397697 0.0000000), wk = 0.0028249 k( 267) = ( 0.0263158 -0.0298273 0.0000000), wk = 0.0028249 k( 268) = ( 0.0175439 -0.0198848 0.0000000), wk = 0.0028249 k( 269) = ( 0.0087719 -0.0099424 0.0000000), wk = 0.0028249 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 272) = ( 0.0125000 -0.0015698 -0.0047387), wk = 0.0028249 k( 273) = ( 0.0250000 -0.0031395 -0.0094774), wk = 0.0028249 k( 274) = ( 0.0375000 -0.0047093 -0.0142160), wk = 0.0028249 k( 275) = ( 0.0500000 -0.0062791 -0.0189547), wk = 0.0028249 k( 276) = ( 0.0625000 -0.0078488 -0.0236934), wk = 0.0028249 k( 277) = ( 0.0750000 -0.0094186 -0.0284321), wk = 0.0028249 k( 278) = ( 0.0875000 -0.0109884 -0.0331707), wk = 0.0028249 k( 279) = ( 0.1000000 -0.0125581 -0.0379094), wk = 0.0028249 k( 280) = ( 0.1125000 -0.0141279 -0.0426481), wk = 0.0028249 k( 281) = ( 0.1250000 -0.0156976 -0.0473868), wk = 0.0028249 k( 282) = ( 0.1375000 -0.0172674 -0.0521255), wk = 0.0028249 k( 283) = ( 0.1500000 -0.0188372 -0.0568641), wk = 0.0028249 k( 284) = ( 0.1625000 -0.0204069 -0.0616028), wk = 0.0028249 k( 285) = ( 0.1750000 -0.0219767 -0.0663415), wk = 0.0028249 k( 286) = ( 0.1875000 -0.0235465 -0.0710802), wk = 0.0028249 k( 287) = ( 0.2000000 -0.0251162 -0.0758188), wk = 0.0028249 k( 288) = ( 0.2125000 -0.0266860 -0.0805575), wk = 0.0028249 k( 289) = ( 0.2250000 -0.0282558 -0.0852962), wk = 0.0028249 k( 290) = ( 0.2375000 -0.0298255 -0.0900349), wk = 0.0028249 k( 291) = ( 0.2500000 -0.0313953 -0.0947736), wk = 0.0028249 k( 292) = ( 0.2625000 -0.0329651 -0.0995122), wk = 0.0028249 k( 293) = ( 0.2750000 -0.0345348 -0.1042509), wk = 0.0028249 k( 294) = ( 0.2875000 -0.0361046 -0.1089896), wk = 0.0028249 k( 295) = ( 0.3000000 -0.0376744 -0.1137283), wk = 0.0028249 k( 296) = ( 0.3125000 -0.0392441 -0.1184669), wk = 0.0028249 k( 297) = ( 0.3250000 -0.0408139 -0.1232056), wk = 0.0028249 k( 298) = ( 0.3375000 -0.0423836 -0.1279443), wk = 0.0028249 k( 299) = ( 0.3500000 -0.0439534 -0.1326830), wk = 0.0028249 k( 300) = ( 0.3625000 -0.0455232 -0.1374217), wk = 0.0028249 k( 301) = ( 0.3750000 -0.0470929 -0.1421603), wk = 0.0028249 k( 302) = ( 0.3875000 -0.0486627 -0.1468990), wk = 0.0028249 k( 303) = ( 0.4000000 -0.0502325 -0.1516377), wk = 0.0028249 k( 304) = ( 0.4125000 -0.0518022 -0.1563764), wk = 0.0028249 k( 305) = ( 0.4250000 -0.0533720 -0.1611150), wk = 0.0028249 k( 306) = ( 0.4375000 -0.0549418 -0.1658537), wk = 0.0028249 k( 307) = ( 0.4500000 -0.0565115 -0.1705924), wk = 0.0028249 k( 308) = ( 0.4625000 -0.0580813 -0.1753311), wk = 0.0028249 k( 309) = ( 0.4750000 -0.0596511 -0.1800698), wk = 0.0028249 k( 310) = ( 0.4875000 -0.0612208 -0.1848084), wk = 0.0028249 k( 311) = ( 0.5000000 -0.0627906 -0.1895471), wk = 0.0028249 k( 312) = ( 0.5000000 -0.0627906 0.2438355), wk = 0.0028249 k( 313) = ( 0.4880952 -0.0612956 0.2380299), wk = 0.0028249 k( 314) = ( 0.4761905 -0.0598006 0.2322243), wk = 0.0028249 k( 315) = ( 0.4642857 -0.0583055 0.2264187), wk = 0.0028249 k( 316) = ( 0.4523810 -0.0568105 0.2206131), wk = 0.0028249 k( 317) = ( 0.4404762 -0.0553155 0.2148075), wk = 0.0028249 k( 318) = ( 0.4285714 -0.0538205 0.2090019), wk = 0.0028249 k( 319) = ( 0.4166667 -0.0523255 0.2031963), wk = 0.0028249 k( 320) = ( 0.4047619 -0.0508305 0.1973906), wk = 0.0028249 k( 321) = ( 0.3928571 -0.0493355 0.1915850), wk = 0.0028249 k( 322) = ( 0.3809524 -0.0478404 0.1857794), wk = 0.0028249 k( 323) = ( 0.3690476 -0.0463454 0.1799738), wk = 0.0028249 k( 324) = ( 0.3571429 -0.0448504 0.1741682), wk = 0.0028249 k( 325) = ( 0.3452381 -0.0433554 0.1683626), wk = 0.0028249 k( 326) = ( 0.3333333 -0.0418604 0.1625570), wk = 0.0028249 k( 327) = ( 0.3214286 -0.0403654 0.1567514), wk = 0.0028249 k( 328) = ( 0.3095238 -0.0388704 0.1509458), wk = 0.0028249 k( 329) = ( 0.2976190 -0.0373753 0.1451402), wk = 0.0028249 k( 330) = ( 0.2857143 -0.0358803 0.1393346), wk = 0.0028249 k( 331) = ( 0.2738095 -0.0343853 0.1335290), wk = 0.0028249 k( 332) = ( 0.2619048 -0.0328903 0.1277234), wk = 0.0028249 k( 333) = ( 0.2500000 -0.0313953 0.1219178), wk = 0.0028249 k( 334) = ( 0.2380952 -0.0299003 0.1161121), wk = 0.0028249 k( 335) = ( 0.2261905 -0.0284053 0.1103065), wk = 0.0028249 k( 336) = ( 0.2142857 -0.0269102 0.1045009), wk = 0.0028249 k( 337) = ( 0.2023810 -0.0254152 0.0986953), wk = 0.0028249 k( 338) = ( 0.1904762 -0.0239202 0.0928897), wk = 0.0028249 k( 339) = ( 0.1785714 -0.0224252 0.0870841), wk = 0.0028249 k( 340) = ( 0.1666667 -0.0209302 0.0812785), wk = 0.0028249 k( 341) = ( 0.1547619 -0.0194352 0.0754729), wk = 0.0028249 k( 342) = ( 0.1428571 -0.0179402 0.0696673), wk = 0.0028249 k( 343) = ( 0.1309524 -0.0164452 0.0638617), wk = 0.0028249 k( 344) = ( 0.1190476 -0.0149501 0.0580561), wk = 0.0028249 k( 345) = ( 0.1071429 -0.0134551 0.0522505), wk = 0.0028249 k( 346) = ( 0.0952381 -0.0119601 0.0464449), wk = 0.0028249 k( 347) = ( 0.0833333 -0.0104651 0.0406392), wk = 0.0028249 k( 348) = ( 0.0714286 -0.0089701 0.0348336), wk = 0.0028249 k( 349) = ( 0.0595238 -0.0074751 0.0290280), wk = 0.0028249 k( 350) = ( 0.0476191 -0.0059801 0.0232224), wk = 0.0028249 k( 351) = ( 0.0357143 -0.0044850 0.0174168), wk = 0.0028249 k( 352) = ( 0.0238095 -0.0029900 0.0116112), wk = 0.0028249 k( 353) = ( 0.0119048 -0.0014950 0.0058056), wk = 0.0028249 k( 354) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0086768 0.0086768 0.0001169), wk = 0.0028249 k( 3) = ( 0.0173535 0.0173535 0.0002339), wk = 0.0028249 k( 4) = ( 0.0260303 0.0260303 0.0003508), wk = 0.0028249 k( 5) = ( 0.0347071 0.0347071 0.0004678), wk = 0.0028249 k( 6) = ( 0.0433839 0.0433839 0.0005847), wk = 0.0028249 k( 7) = ( 0.0520606 0.0520606 0.0007017), wk = 0.0028249 k( 8) = ( 0.0607374 0.0607374 0.0008186), wk = 0.0028249 k( 9) = ( 0.0694142 0.0694142 0.0009356), wk = 0.0028249 k( 10) = ( 0.0780909 0.0780909 0.0010525), wk = 0.0028249 k( 11) = ( 0.0867677 0.0867677 0.0011694), wk = 0.0028249 k( 12) = ( 0.0954445 0.0954445 0.0012864), wk = 0.0028249 k( 13) = ( 0.1041212 0.1041212 0.0014033), wk = 0.0028249 k( 14) = ( 0.1127980 0.1127980 0.0015203), wk = 0.0028249 k( 15) = ( 0.1214748 0.1214748 0.0016372), wk = 0.0028249 k( 16) = ( 0.1301516 0.1301516 0.0017542), wk = 0.0028249 k( 17) = ( 0.1388283 0.1388283 0.0018711), wk = 0.0028249 k( 18) = ( 0.1475051 0.1475051 0.0019880), wk = 0.0028249 k( 19) = ( 0.1561819 0.1561819 0.0021050), wk = 0.0028249 k( 20) = ( 0.1648586 0.1648586 0.0022219), wk = 0.0028249 k( 21) = ( 0.1735354 0.1735354 0.0023389), wk = 0.0028249 k( 22) = ( 0.1822122 0.1822122 0.0024558), wk = 0.0028249 k( 23) = ( 0.1908889 0.1908889 0.0025728), wk = 0.0028249 k( 24) = ( 0.1995657 0.1995657 0.0026897), wk = 0.0028249 k( 25) = ( 0.2082425 0.2082425 0.0028066), wk = 0.0028249 k( 26) = ( 0.2169193 0.2169193 0.0029236), wk = 0.0028249 k( 27) = ( 0.2255960 0.2255960 0.0030405), wk = 0.0028249 k( 28) = ( 0.2342728 0.2342728 0.0031575), wk = 0.0028249 k( 29) = ( 0.2429496 0.2429496 0.0032744), wk = 0.0028249 k( 30) = ( 0.2516263 0.2516263 0.0033913), wk = 0.0028249 k( 31) = ( 0.2603031 0.2603031 0.0035083), wk = 0.0028249 k( 32) = ( 0.2689799 0.2689799 0.0036252), wk = 0.0028249 k( 33) = ( 0.2776566 0.2776566 0.0037422), wk = 0.0028249 k( 34) = ( 0.2863334 0.2863334 0.0038591), wk = 0.0028249 k( 35) = ( 0.2950102 0.2950102 0.0039761), wk = 0.0028249 k( 36) = ( 0.3036869 0.3036869 0.0040930), wk = 0.0028249 k( 37) = ( 0.3123637 0.3123637 0.0042100), wk = 0.0028249 k( 38) = ( 0.3210405 0.3210405 0.0043269), wk = 0.0028249 k( 39) = ( 0.3297173 0.3297173 0.0044438), wk = 0.0028249 k( 40) = ( 0.3383940 0.3383940 0.0045608), wk = 0.0028249 k( 41) = ( 0.3470708 0.3470708 0.0046777), wk = 0.0028249 k( 42) = ( 0.3557476 0.3557476 0.0047947), wk = 0.0028249 k( 43) = ( 0.3644243 0.3644243 0.0049116), wk = 0.0028249 k( 44) = ( 0.3731011 0.3731011 0.0050286), wk = 0.0028249 k( 45) = ( 0.3817779 0.3817779 0.0051455), wk = 0.0028249 k( 46) = ( 0.3904546 0.3904546 0.0052624), wk = 0.0028249 k( 47) = ( 0.3991314 0.3991314 0.0053794), wk = 0.0028249 k( 48) = ( 0.4078082 0.4078082 0.0054963), wk = 0.0028249 k( 49) = ( 0.4164850 0.4164850 0.0056133), wk = 0.0028249 k( 50) = ( 0.4251617 0.4251617 0.0057302), wk = 0.0028249 k( 51) = ( 0.4338385 0.4338385 0.0058472), wk = 0.0028249 k( 52) = ( 0.4425153 0.4425153 0.0059641), wk = 0.0028249 k( 53) = ( 0.4511920 0.4511920 0.0060811), wk = 0.0028249 k( 54) = ( 0.4598688 0.4598688 0.0061980), wk = 0.0028249 k( 55) = ( 0.4685456 0.4685456 0.0063149), wk = 0.0028249 k( 56) = ( 0.4772223 0.4772223 0.0064319), wk = 0.0028249 k( 57) = ( 0.4858991 0.4858991 0.0065488), wk = 0.0028249 k( 58) = ( 0.4945759 0.4945759 0.0066658), wk = 0.0028249 k( 59) = ( 0.4945759 0.4945759 0.0066658), wk = 0.0028249 k( 60) = ( 0.4991361 0.4991361 0.0229954), wk = 0.0028249 k( 61) = ( 0.5036963 0.5036963 0.0393249), wk = 0.0028249 k( 62) = ( 0.5082565 0.5082565 0.0556546), wk = 0.0028249 k( 63) = ( 0.5128167 0.5128167 0.0719841), wk = 0.0028249 k( 64) = ( 0.5173769 0.5173769 0.0883137), wk = 0.0028249 k( 65) = ( 0.5219371 0.5219371 0.1046433), wk = 0.0028249 k( 66) = ( 0.5219371 0.5219371 0.1046433), wk = 0.0028249 k( 67) = ( 0.5211247 0.5211247 0.1192862), wk = 0.0028249 k( 68) = ( 0.5203122 0.5203122 0.1339290), wk = 0.0028249 k( 69) = ( 0.5194997 0.5194997 0.1485718), wk = 0.0028249 k( 70) = ( 0.5186872 0.5186872 0.1632147), wk = 0.0028249 k( 71) = ( 0.5178747 0.5178747 0.1778575), wk = 0.0028249 k( 72) = ( 0.5170622 0.5170622 0.1925004), wk = 0.0028249 k( 73) = ( 0.5162497 0.5162497 0.2071432), wk = 0.0028249 k( 74) = ( 0.5154372 0.5154372 0.2217860), wk = 0.0028249 k( 75) = ( 0.5146248 0.5146248 0.2364289), wk = 0.0028249 k( 76) = ( 0.5138123 0.5138123 0.2510717), wk = 0.0028249 k( 77) = ( 0.5129998 0.5129998 0.2657146), wk = 0.0028249 k( 78) = ( 0.5121873 0.5121873 0.2803574), wk = 0.0028249 k( 79) = ( 0.5113748 0.5113748 0.2950002), wk = 0.0028249 k( 80) = ( 0.5105623 0.5105623 0.3096431), wk = 0.0028249 k( 81) = ( 0.5097498 0.5097498 0.3242859), wk = 0.0028249 k( 82) = ( 0.5089373 0.5089373 0.3389288), wk = 0.0028249 k( 83) = ( 0.5081249 0.5081249 0.3535716), wk = 0.0028249 k( 84) = ( 0.5073124 0.5073124 0.3682144), wk = 0.0028249 k( 85) = ( 0.5064999 0.5064999 0.3828573), wk = 0.0028249 k( 86) = ( 0.5056874 0.5056874 0.3975001), wk = 0.0028249 k( 87) = ( 0.5048749 0.5048749 0.4121430), wk = 0.0028249 k( 88) = ( 0.5040624 0.5040624 0.4267858), wk = 0.0028249 k( 89) = ( 0.5032499 0.5032499 0.4414286), wk = 0.0028249 k( 90) = ( 0.5024375 0.5024375 0.4560715), wk = 0.0028249 k( 91) = ( 0.5016250 0.5016250 0.4707143), wk = 0.0028249 k( 92) = ( 0.5008125 0.5008125 0.4853572), wk = 0.0028249 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 95) = ( 0.5085198 0.4914802 0.5000000), wk = 0.0028249 k( 96) = ( 0.5170397 0.4829603 0.5000000), wk = 0.0028249 k( 97) = ( 0.5255595 0.4744405 0.5000000), wk = 0.0028249 k( 98) = ( 0.5340793 0.4659207 0.5000000), wk = 0.0028249 k( 99) = ( 0.5425991 0.4574009 0.5000000), wk = 0.0028249 k( 100) = ( 0.5511190 0.4488810 0.5000000), wk = 0.0028249 k( 101) = ( 0.5596388 0.4403612 0.5000000), wk = 0.0028249 k( 102) = ( 0.5681586 0.4318414 0.5000000), wk = 0.0028249 k( 103) = ( 0.5766785 0.4233215 0.5000000), wk = 0.0028249 k( 104) = ( 0.5851983 0.4148017 0.5000000), wk = 0.0028249 k( 105) = ( 0.5937181 0.4062819 0.5000000), wk = 0.0028249 k( 106) = ( 0.6022379 0.3977621 0.5000000), wk = 0.0028249 k( 107) = ( 0.6107578 0.3892422 0.5000000), wk = 0.0028249 k( 108) = ( 0.6192776 0.3807224 0.5000000), wk = 0.0028249 k( 109) = ( 0.6277974 0.3722026 0.5000000), wk = 0.0028249 k( 110) = ( 0.6363173 0.3636827 0.5000000), wk = 0.0028249 k( 111) = ( 0.3636827 -0.3636827 0.5000000), wk = 0.0028249 k( 112) = ( 0.3548124 -0.3548124 0.5000000), wk = 0.0028249 k( 113) = ( 0.3459421 -0.3459421 0.5000000), wk = 0.0028249 k( 114) = ( 0.3370718 -0.3370718 0.5000000), wk = 0.0028249 k( 115) = ( 0.3282015 -0.3282015 0.5000000), wk = 0.0028249 k( 116) = ( 0.3193312 -0.3193312 0.5000000), wk = 0.0028249 k( 117) = ( 0.3104609 -0.3104609 0.5000000), wk = 0.0028249 k( 118) = ( 0.3015906 -0.3015906 0.5000000), wk = 0.0028249 k( 119) = ( 0.2927203 -0.2927203 0.5000000), wk = 0.0028249 k( 120) = ( 0.2838500 -0.2838500 0.5000000), wk = 0.0028249 k( 121) = ( 0.2749796 -0.2749796 0.5000000), wk = 0.0028249 k( 122) = ( 0.2661093 -0.2661093 0.5000000), wk = 0.0028249 k( 123) = ( 0.2572390 -0.2572390 0.5000000), wk = 0.0028249 k( 124) = ( 0.2483687 -0.2483687 0.5000000), wk = 0.0028249 k( 125) = ( 0.2394984 -0.2394984 0.5000000), wk = 0.0028249 k( 126) = ( 0.2306281 -0.2306281 0.5000000), wk = 0.0028249 k( 127) = ( 0.2217578 -0.2217578 0.5000000), wk = 0.0028249 k( 128) = ( 0.2128875 -0.2128875 0.5000000), wk = 0.0028249 k( 129) = ( 0.2040172 -0.2040172 0.5000000), wk = 0.0028249 k( 130) = ( 0.1951468 -0.1951468 0.5000000), wk = 0.0028249 k( 131) = ( 0.1862765 -0.1862765 0.5000000), wk = 0.0028249 k( 132) = ( 0.1774062 -0.1774062 0.5000000), wk = 0.0028249 k( 133) = ( 0.1685359 -0.1685359 0.5000000), wk = 0.0028249 k( 134) = ( 0.1596656 -0.1596656 0.5000000), wk = 0.0028249 k( 135) = ( 0.1507953 -0.1507953 0.5000000), wk = 0.0028249 k( 136) = ( 0.1419250 -0.1419250 0.5000000), wk = 0.0028249 k( 137) = ( 0.1330547 -0.1330547 0.5000000), wk = 0.0028249 k( 138) = ( 0.1241843 -0.1241844 0.5000000), wk = 0.0028249 k( 139) = ( 0.1153140 -0.1153140 0.5000000), wk = 0.0028249 k( 140) = ( 0.1064437 -0.1064437 0.5000000), wk = 0.0028249 k( 141) = ( 0.0975734 -0.0975734 0.5000000), wk = 0.0028249 k( 142) = ( 0.0887031 -0.0887031 0.5000000), wk = 0.0028249 k( 143) = ( 0.0798328 -0.0798328 0.5000000), wk = 0.0028249 k( 144) = ( 0.0709625 -0.0709625 0.5000000), wk = 0.0028249 k( 145) = ( 0.0620922 -0.0620922 0.5000000), wk = 0.0028249 k( 146) = ( 0.0532219 -0.0532219 0.5000000), wk = 0.0028249 k( 147) = ( 0.0443515 -0.0443516 0.5000000), wk = 0.0028249 k( 148) = ( 0.0354812 -0.0354812 0.5000000), wk = 0.0028249 k( 149) = ( 0.0266109 -0.0266109 0.5000000), wk = 0.0028249 k( 150) = ( 0.0177406 -0.0177406 0.5000000), wk = 0.0028249 k( 151) = ( 0.0088703 -0.0088703 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0099407 0.0099407 0.5086955), wk = 0.0028249 k( 155) = ( 0.0198815 0.0198815 0.5173910), wk = 0.0028249 k( 156) = ( 0.0298222 0.0298222 0.5260865), wk = 0.0028249 k( 157) = ( 0.0397629 0.0397629 0.5347820), wk = 0.0028249 k( 158) = ( 0.0497037 0.0497037 0.5434775), wk = 0.0028249 k( 159) = ( 0.0596444 0.0596444 0.5521730), wk = 0.0028249 k( 160) = ( 0.0695852 0.0695852 0.5608685), wk = 0.0028249 k( 161) = ( 0.0795259 0.0795259 0.5695640), wk = 0.0028249 k( 162) = ( 0.0894666 0.0894666 0.5782594), wk = 0.0028249 k( 163) = ( 0.0994074 0.0994074 0.5869549), wk = 0.0028249 k( 164) = ( 0.1093481 0.1093481 0.5956504), wk = 0.0028249 k( 165) = ( 0.1192888 0.1192888 0.6043459), wk = 0.0028249 k( 166) = ( 0.1292296 0.1292296 0.6130414), wk = 0.0028249 k( 167) = ( 0.1391703 0.1391703 0.6217369), wk = 0.0028249 k( 168) = ( 0.1491110 0.1491110 0.6304324), wk = 0.0028249 k( 169) = ( 0.1590518 0.1590518 0.6391279), wk = 0.0028249 k( 170) = ( 0.1689925 0.1689925 0.6478234), wk = 0.0028249 k( 171) = ( 0.1789333 0.1789333 0.6565189), wk = 0.0028249 k( 172) = ( 0.1888740 0.1888740 0.6652144), wk = 0.0028249 k( 173) = ( 0.1988147 0.1988147 0.6739099), wk = 0.0028249 k( 174) = ( 0.2087555 0.2087555 0.6826054), wk = 0.0028249 k( 175) = ( 0.2186962 0.2186962 0.6913009), wk = 0.0028249 k( 176) = ( 0.2286369 0.2286369 0.6999964), wk = 0.0028249 k( 177) = ( 0.2385777 0.2385777 0.7086919), wk = 0.0028249 k( 178) = ( 0.2485184 0.2485184 0.7173873), wk = 0.0028249 k( 179) = ( 0.2584592 0.2584592 0.7260828), wk = 0.0028249 k( 180) = ( 0.2683999 0.2683999 0.7347783), wk = 0.0028249 k( 181) = ( 0.2783406 0.2783406 0.7434738), wk = 0.0028249 k( 182) = ( 0.2882814 0.2882814 0.7521693), wk = 0.0028249 k( 183) = ( 0.2982221 0.2982221 0.7608648), wk = 0.0028249 k( 184) = ( 0.3081628 0.3081628 0.7695603), wk = 0.0028249 k( 185) = ( 0.3181036 0.3181036 0.7782558), wk = 0.0028249 k( 186) = ( 0.3280443 0.3280443 0.7869513), wk = 0.0028249 k( 187) = ( 0.3379850 0.3379850 0.7956468), wk = 0.0028249 k( 188) = ( 0.3479258 0.3479258 0.8043423), wk = 0.0028249 k( 189) = ( 0.3578665 0.3578665 0.8130378), wk = 0.0028249 k( 190) = ( 0.3678072 0.3678072 0.8217333), wk = 0.0028249 k( 191) = ( 0.3777480 0.3777480 0.8304288), wk = 0.0028249 k( 192) = ( 0.3876887 0.3876887 0.8391243), wk = 0.0028249 k( 193) = ( 0.3976295 0.3976295 0.8478198), wk = 0.0028249 k( 194) = ( 0.4075702 0.4075702 0.8565152), wk = 0.0028249 k( 195) = ( 0.4175109 0.4175109 0.8652107), wk = 0.0028249 k( 196) = ( 0.4274517 0.4274517 0.8739062), wk = 0.0028249 k( 197) = ( 0.4373924 0.4373924 0.8826017), wk = 0.0028249 k( 198) = ( 0.4473332 0.4473332 0.8912972), wk = 0.0028249 k( 199) = ( 0.4572739 0.4572739 0.8999927), wk = 0.0028249 k( 200) = ( 0.4672146 0.4672146 0.9086882), wk = 0.0028249 k( 201) = ( 0.4672146 0.4672146 0.9086882), wk = 0.0028249 k( 202) = ( 0.4726387 0.4726387 0.9020224), wk = 0.0028249 k( 203) = ( 0.4780629 0.4780629 0.8953567), wk = 0.0028249 k( 204) = ( 0.5327854 -0.4672146 0.0913118), wk = 0.0028249 k( 205) = ( 0.5282252 -0.4717748 0.0749822), wk = 0.0028249 k( 206) = ( 0.5236650 -0.4763350 0.0586526), wk = 0.0028249 k( 207) = ( 0.5191048 -0.4808953 0.0423230), wk = 0.0028249 k( 208) = ( 0.5145445 -0.4854555 0.0259934), wk = 0.0028249 k( 209) = ( 0.5099843 -0.4900157 0.0096638), wk = 0.0028249 k( 210) = ( 0.5054241 -0.4945759 -0.0066658), wk = 0.0028249 k( 211) = ( 0.5054241 -0.4945759 -0.0066658), wk = 0.0028249 k( 212) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0028249 k( 213) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0028249 k( 214) = ( 0.4912281 -0.4912281 -0.0000000), wk = 0.0028249 k( 215) = ( 0.4824561 -0.4824561 -0.0000000), wk = 0.0028249 k( 216) = ( 0.4736842 -0.4736842 -0.0000000), wk = 0.0028249 k( 217) = ( 0.4649123 -0.4649123 -0.0000000), wk = 0.0028249 k( 218) = ( 0.4561404 -0.4561404 -0.0000000), wk = 0.0028249 k( 219) = ( 0.4473684 -0.4473684 -0.0000000), wk = 0.0028249 k( 220) = ( 0.4385965 -0.4385965 -0.0000000), wk = 0.0028249 k( 221) = ( 0.4298246 -0.4298246 -0.0000000), wk = 0.0028249 k( 222) = ( 0.4210526 -0.4210526 -0.0000000), wk = 0.0028249 k( 223) = ( 0.4122807 -0.4122807 -0.0000000), wk = 0.0028249 k( 224) = ( 0.4035088 -0.4035088 -0.0000000), wk = 0.0028249 k( 225) = ( 0.3947368 -0.3947368 0.0000000), wk = 0.0028249 k( 226) = ( 0.3859649 -0.3859649 0.0000000), wk = 0.0028249 k( 227) = ( 0.3771930 -0.3771930 -0.0000000), wk = 0.0028249 k( 228) = ( 0.3684211 -0.3684211 0.0000000), wk = 0.0028249 k( 229) = ( 0.3596491 -0.3596491 -0.0000000), wk = 0.0028249 k( 230) = ( 0.3508772 -0.3508772 -0.0000000), wk = 0.0028249 k( 231) = ( 0.3421053 -0.3421053 -0.0000000), wk = 0.0028249 k( 232) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0028249 k( 233) = ( 0.3245614 -0.3245614 -0.0000000), wk = 0.0028249 k( 234) = ( 0.3157895 -0.3157895 -0.0000000), wk = 0.0028249 k( 235) = ( 0.3070175 -0.3070175 0.0000000), wk = 0.0028249 k( 236) = ( 0.2982456 -0.2982456 -0.0000000), wk = 0.0028249 k( 237) = ( 0.2894737 -0.2894737 -0.0000000), wk = 0.0028249 k( 238) = ( 0.2807018 -0.2807018 -0.0000000), wk = 0.0028249 k( 239) = ( 0.2719298 -0.2719298 -0.0000000), wk = 0.0028249 k( 240) = ( 0.2631579 -0.2631579 -0.0000000), wk = 0.0028249 k( 241) = ( 0.2543860 -0.2543860 -0.0000000), wk = 0.0028249 k( 242) = ( 0.2456140 -0.2456140 0.0000000), wk = 0.0028249 k( 243) = ( 0.2368421 -0.2368421 -0.0000000), wk = 0.0028249 k( 244) = ( 0.2280702 -0.2280702 -0.0000000), wk = 0.0028249 k( 245) = ( 0.2192983 -0.2192983 -0.0000000), wk = 0.0028249 k( 246) = ( 0.2105263 -0.2105263 -0.0000000), wk = 0.0028249 k( 247) = ( 0.2017544 -0.2017544 0.0000000), wk = 0.0028249 k( 248) = ( 0.1929825 -0.1929825 -0.0000000), wk = 0.0028249 k( 249) = ( 0.1842105 -0.1842105 -0.0000000), wk = 0.0028249 k( 250) = ( 0.1754386 -0.1754386 -0.0000000), wk = 0.0028249 k( 251) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0028249 k( 252) = ( 0.1578947 -0.1578947 -0.0000000), wk = 0.0028249 k( 253) = ( 0.1491228 -0.1491228 -0.0000000), wk = 0.0028249 k( 254) = ( 0.1403509 -0.1403509 -0.0000000), wk = 0.0028249 k( 255) = ( 0.1315790 -0.1315790 0.0000000), wk = 0.0028249 k( 256) = ( 0.1228070 -0.1228070 0.0000000), wk = 0.0028249 k( 257) = ( 0.1140351 -0.1140351 -0.0000000), wk = 0.0028249 k( 258) = ( 0.1052632 -0.1052632 -0.0000000), wk = 0.0028249 k( 259) = ( 0.0964912 -0.0964912 -0.0000000), wk = 0.0028249 k( 260) = ( 0.0877193 -0.0877193 -0.0000000), wk = 0.0028249 k( 261) = ( 0.0789474 -0.0789474 -0.0000000), wk = 0.0028249 k( 262) = ( 0.0701754 -0.0701754 -0.0000000), wk = 0.0028249 k( 263) = ( 0.0614035 -0.0614035 0.0000000), wk = 0.0028249 k( 264) = ( 0.0526316 -0.0526316 -0.0000000), wk = 0.0028249 k( 265) = ( 0.0438597 -0.0438597 -0.0000000), wk = 0.0028249 k( 266) = ( 0.0350877 -0.0350877 -0.0000000), wk = 0.0028249 k( 267) = ( 0.0263158 -0.0263158 -0.0000000), wk = 0.0028249 k( 268) = ( 0.0175439 -0.0175439 -0.0000000), wk = 0.0028249 k( 269) = ( 0.0087719 -0.0087719 -0.0000000), wk = 0.0028249 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 272) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0028249 k( 273) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 274) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0028249 k( 275) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0028249 k( 276) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0028249 k( 277) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0028249 k( 278) = ( 0.0875000 -0.0000000 0.0000000), wk = 0.0028249 k( 279) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 280) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0028249 k( 281) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 282) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0028249 k( 283) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0028249 k( 284) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0028249 k( 285) = ( 0.1750000 -0.0000000 0.0000000), wk = 0.0028249 k( 286) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0028249 k( 287) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 288) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0028249 k( 289) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 290) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0028249 k( 291) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0028249 k( 292) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0028249 k( 293) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0028249 k( 294) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0028249 k( 295) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 296) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0028249 k( 297) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 298) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0028249 k( 299) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0028249 k( 300) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0028249 k( 301) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0028249 k( 302) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0028249 k( 303) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 304) = ( 0.4125000 -0.0000000 0.0000000), wk = 0.0028249 k( 305) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 306) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0028249 k( 307) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0028249 k( 308) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0028249 k( 309) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0028249 k( 310) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0028249 k( 311) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 312) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028249 k( 313) = ( 0.4880952 -0.0000000 0.4880952), wk = 0.0028249 k( 314) = ( 0.4761905 -0.0000000 0.4761905), wk = 0.0028249 k( 315) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0028249 k( 316) = ( 0.4523810 -0.0000000 0.4523810), wk = 0.0028249 k( 317) = ( 0.4404762 -0.0000000 0.4404762), wk = 0.0028249 k( 318) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0028249 k( 319) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0028249 k( 320) = ( 0.4047619 -0.0000000 0.4047619), wk = 0.0028249 k( 321) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0028249 k( 322) = ( 0.3809524 -0.0000000 0.3809524), wk = 0.0028249 k( 323) = ( 0.3690476 -0.0000000 0.3690476), wk = 0.0028249 k( 324) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0028249 k( 325) = ( 0.3452381 -0.0000000 0.3452381), wk = 0.0028249 k( 326) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0028249 k( 327) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0028249 k( 328) = ( 0.3095238 -0.0000000 0.3095238), wk = 0.0028249 k( 329) = ( 0.2976190 -0.0000000 0.2976191), wk = 0.0028249 k( 330) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0028249 k( 331) = ( 0.2738095 -0.0000000 0.2738095), wk = 0.0028249 k( 332) = ( 0.2619048 -0.0000000 0.2619048), wk = 0.0028249 k( 333) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0028249 k( 334) = ( 0.2380952 -0.0000000 0.2380952), wk = 0.0028249 k( 335) = ( 0.2261905 -0.0000000 0.2261905), wk = 0.0028249 k( 336) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0028249 k( 337) = ( 0.2023810 -0.0000000 0.2023810), wk = 0.0028249 k( 338) = ( 0.1904762 -0.0000000 0.1904762), wk = 0.0028249 k( 339) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0028249 k( 340) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0028249 k( 341) = ( 0.1547619 0.0000000 0.1547619), wk = 0.0028249 k( 342) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0028249 k( 343) = ( 0.1309524 -0.0000000 0.1309524), wk = 0.0028249 k( 344) = ( 0.1190476 -0.0000000 0.1190476), wk = 0.0028249 k( 345) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0028249 k( 346) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0028249 k( 347) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028249 k( 348) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0028249 k( 349) = ( 0.0595238 -0.0000000 0.0595238), wk = 0.0028249 k( 350) = ( 0.0476191 0.0000000 0.0476191), wk = 0.0028249 k( 351) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0028249 k( 352) = ( 0.0238095 -0.0000000 0.0238095), wk = 0.0028249 k( 353) = ( 0.0119048 -0.0000000 0.0119048), wk = 0.0028249 k( 354) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 Dense grid: 35881 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 21529 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 162, 48) NL pseudopotentials 0.25 Mb ( 81, 204) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 997) G-vector shells 0.01 Mb ( 942) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 162, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./NiP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.4 secs Computing kpt #: 20 total cpu time spent up to now is 10.8 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 11.9 secs Computing kpt #: 24 total cpu time spent up to now is 12.3 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.6 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.6 secs Computing kpt #: 32 total cpu time spent up to now is 16.1 secs Computing kpt #: 33 total cpu time spent up to now is 16.5 secs Computing kpt #: 34 total cpu time spent up to now is 17.0 secs Computing kpt #: 35 total cpu time spent up to now is 17.4 secs Computing kpt #: 36 total cpu time spent up to now is 17.9 secs Computing kpt #: 37 total cpu time spent up to now is 18.3 secs Computing kpt #: 38 total cpu time spent up to now is 18.7 secs Computing kpt #: 39 total cpu time spent up to now is 19.2 secs Computing kpt #: 40 total cpu time spent up to now is 19.6 secs Computing kpt #: 41 total cpu time spent up to now is 20.2 secs Computing kpt #: 42 total cpu time spent up to now is 20.7 secs Computing kpt #: 43 total cpu time spent up to now is 21.1 secs Computing kpt #: 44 total cpu time spent up to now is 21.7 secs Computing kpt #: 45 total cpu time spent up to now is 22.3 secs Computing kpt #: 46 total cpu time spent up to now is 22.9 secs Computing kpt #: 47 total cpu time spent up to now is 23.5 secs Computing kpt #: 48 total cpu time spent up to now is 24.0 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.7 secs Computing kpt #: 52 total cpu time spent up to now is 26.2 secs Computing kpt #: 53 total cpu time spent up to now is 26.7 secs Computing kpt #: 54 total cpu time spent up to now is 27.2 secs Computing kpt #: 55 total cpu time spent up to now is 27.7 secs Computing kpt #: 56 total cpu time spent up to now is 28.1 secs Computing kpt #: 57 total cpu time spent up to now is 28.5 secs Computing kpt #: 58 total cpu time spent up to now is 28.9 secs Computing kpt #: 59 total cpu time spent up to now is 29.3 secs Computing kpt #: 60 total cpu time spent up to now is 29.7 secs Computing kpt #: 61 total cpu time spent up to now is 30.1 secs Computing kpt #: 62 total cpu time spent up to now is 30.6 secs Computing kpt #: 63 total cpu time spent up to now is 31.0 secs Computing kpt #: 64 total cpu time spent up to now is 31.4 secs Computing kpt #: 65 total cpu time spent up to now is 31.8 secs Computing kpt #: 66 total cpu time spent up to now is 32.2 secs Computing kpt #: 67 total cpu time spent up to now is 32.7 secs Computing kpt #: 68 total cpu time spent up to now is 33.2 secs Computing kpt #: 69 total cpu time spent up to now is 33.6 secs Computing kpt #: 70 total cpu time spent up to now is 34.1 secs Computing kpt #: 71 total cpu time spent up to now is 34.6 secs Computing kpt #: 72 total cpu time spent up to now is 35.2 secs Computing kpt #: 73 total cpu time spent up to now is 35.7 secs Computing kpt #: 74 total cpu time spent up to now is 36.2 secs Computing kpt #: 75 total cpu time spent up to now is 36.7 secs Computing kpt #: 76 total cpu time spent up to now is 37.3 secs Computing kpt #: 77 total cpu time spent up to now is 37.9 secs Computing kpt #: 78 total cpu time spent up to now is 38.4 secs Computing kpt #: 79 total cpu time spent up to now is 38.8 secs Computing kpt #: 80 total cpu time spent up to now is 39.3 secs Computing kpt #: 81 total cpu time spent up to now is 39.7 secs Computing kpt #: 82 total cpu time spent up to now is 40.1 secs Computing kpt #: 83 total cpu time spent up to now is 40.5 secs Computing kpt #: 84 total cpu time spent up to now is 40.9 secs Computing kpt #: 85 total cpu time spent up to now is 41.3 secs Computing kpt #: 86 total cpu time spent up to now is 41.7 secs Computing kpt #: 87 total cpu time spent up to now is 42.2 secs Computing kpt #: 88 total cpu time spent up to now is 42.5 secs Computing kpt #: 89 total cpu time spent up to now is 42.9 secs Computing kpt #: 90 total cpu time spent up to now is 43.3 secs Computing kpt #: 91 total cpu time spent up to now is 43.7 secs Computing kpt #: 92 total cpu time spent up to now is 44.1 secs Computing kpt #: 93 total cpu time spent up to now is 44.4 secs Computing kpt #: 94 total cpu time spent up to now is 44.9 secs Computing kpt #: 95 total cpu time spent up to now is 45.3 secs Computing kpt #: 96 total cpu time spent up to now is 45.7 secs Computing kpt #: 97 total cpu time spent up to now is 46.1 secs Computing kpt #: 98 total cpu time spent up to now is 46.5 secs Computing kpt #: 99 total cpu time spent up to now is 47.0 secs Computing kpt #: 100 total cpu time spent up to now is 47.4 secs Computing kpt #: 101 total cpu time spent up to now is 47.9 secs Computing kpt #: 102 total cpu time spent up to now is 48.4 secs Computing kpt #: 103 total cpu time spent up to now is 48.9 secs Computing kpt #: 104 total cpu time spent up to now is 49.4 secs Computing kpt #: 105 total cpu time spent up to now is 49.9 secs Computing kpt #: 106 total cpu time spent up to now is 50.4 secs Computing kpt #: 107 total cpu time spent up to now is 50.9 secs Computing kpt #: 108 total cpu time spent up to now is 51.4 secs Computing kpt #: 109 total cpu time spent up to now is 51.8 secs Computing kpt #: 110 total cpu time spent up to now is 52.3 secs Computing kpt #: 111 total cpu time spent up to now is 52.7 secs Computing kpt #: 112 total cpu time spent up to now is 53.1 secs Computing kpt #: 113 total cpu time spent up to now is 53.5 secs Computing kpt #: 114 total cpu time spent up to now is 53.9 secs Computing kpt #: 115 total cpu time spent up to now is 54.3 secs Computing kpt #: 116 total cpu time spent up to now is 54.7 secs Computing kpt #: 117 total cpu time spent up to now is 55.1 secs Computing kpt #: 118 total cpu time spent up to now is 55.5 secs Computing kpt #: 119 total cpu time spent up to now is 55.9 secs Computing kpt #: 120 total cpu time spent up to now is 56.2 secs Computing kpt #: 121 total cpu time spent up to now is 56.6 secs Computing kpt #: 122 total cpu time spent up to now is 57.0 secs Computing kpt #: 123 total cpu time spent up to now is 57.4 secs Computing kpt #: 124 total cpu time spent up to now is 57.8 secs Computing kpt #: 125 total cpu time spent up to now is 58.2 secs Computing kpt #: 126 total cpu time spent up to now is 58.7 secs Computing kpt #: 127 total cpu time spent up to now is 59.1 secs Computing kpt #: 128 total cpu time spent up to now is 59.6 secs Computing kpt #: 129 total cpu time spent up to now is 60.0 secs Computing kpt #: 130 total cpu time spent up to now is 60.5 secs Computing kpt #: 131 total cpu time spent up to now is 61.0 secs Computing kpt #: 132 total cpu time spent up to now is 61.4 secs Computing kpt #: 133 total cpu time spent up to now is 61.9 secs Computing kpt #: 134 total cpu time spent up to now is 62.3 secs Computing kpt #: 135 total cpu time spent up to now is 62.8 secs Computing kpt #: 136 total cpu time spent up to now is 63.3 secs Computing kpt #: 137 total cpu time spent up to now is 63.8 secs Computing kpt #: 138 total cpu time spent up to now is 64.2 secs Computing kpt #: 139 total cpu time spent up to now is 64.7 secs Computing kpt #: 140 total cpu time spent up to now is 65.2 secs Computing kpt #: 141 total cpu time spent up to now is 65.7 secs Computing kpt #: 142 total cpu time spent up to now is 66.2 secs Computing kpt #: 143 total cpu time spent up to now is 66.7 secs Computing kpt #: 144 total cpu time spent up to now is 67.3 secs Computing kpt #: 145 total cpu time spent up to now is 67.9 secs Computing kpt #: 146 total cpu time spent up to now is 68.5 secs Computing kpt #: 147 total cpu time spent up to now is 69.0 secs Computing kpt #: 148 total cpu time spent up to now is 69.6 secs Computing kpt #: 149 total cpu time spent up to now is 70.2 secs Computing kpt #: 150 total cpu time spent up to now is 70.8 secs Computing kpt #: 151 total cpu time spent up to now is 71.3 secs Computing kpt #: 152 total cpu time spent up to now is 71.9 secs Computing kpt #: 153 total cpu time spent up to now is 72.5 secs Computing kpt #: 154 total cpu time spent up to now is 73.1 secs Computing kpt #: 155 total cpu time spent up to now is 73.6 secs Computing kpt #: 156 total cpu time spent up to now is 74.1 secs Computing kpt #: 157 total cpu time spent up to now is 74.6 secs Computing kpt #: 158 total cpu time spent up to now is 75.1 secs Computing kpt #: 159 total cpu time spent up to now is 75.6 secs Computing kpt #: 160 total cpu time spent up to now is 76.1 secs Computing kpt #: 161 total cpu time spent up to now is 76.6 secs Computing kpt #: 162 total cpu time spent up to now is 77.0 secs Computing kpt #: 163 total cpu time spent up to now is 77.5 secs Computing kpt #: 164 total cpu time spent up to now is 78.0 secs Computing kpt #: 165 total cpu time spent up to now is 78.5 secs Computing kpt #: 166 total cpu time spent up to now is 79.0 secs Computing kpt #: 167 total cpu time spent up to now is 79.5 secs Computing kpt #: 168 total cpu time spent up to now is 80.0 secs Computing kpt #: 169 total cpu time spent up to now is 80.5 secs Computing kpt #: 170 total cpu time spent up to now is 81.0 secs Computing kpt #: 171 total cpu time spent up to now is 81.5 secs Computing kpt #: 172 total cpu time spent up to now is 82.0 secs Computing kpt #: 173 total cpu time spent up to now is 82.5 secs Computing kpt #: 174 total cpu time spent up to now is 83.0 secs Computing kpt #: 175 total cpu time spent up to now is 83.5 secs Computing kpt #: 176 total cpu time spent up to now is 84.0 secs Computing kpt #: 177 total cpu time spent up to now is 84.5 secs Computing kpt #: 178 total cpu time spent up to now is 85.1 secs Computing kpt #: 179 total cpu time spent up to now is 85.6 secs Computing kpt #: 180 total cpu time spent up to now is 86.2 secs Computing kpt #: 181 total cpu time spent up to now is 86.7 secs Computing kpt #: 182 total cpu time spent up to now is 87.2 secs Computing kpt #: 183 total cpu time spent up to now is 87.8 secs Computing kpt #: 184 total cpu time spent up to now is 88.4 secs Computing kpt #: 185 total cpu time spent up to now is 89.0 secs Computing kpt #: 186 total cpu time spent up to now is 89.5 secs Computing kpt #: 187 total cpu time spent up to now is 90.0 secs Computing kpt #: 188 total cpu time spent up to now is 90.4 secs Computing kpt #: 189 total cpu time spent up to now is 90.8 secs Computing kpt #: 190 total cpu time spent up to now is 91.2 secs Computing kpt #: 191 total cpu time spent up to now is 91.7 secs Computing kpt #: 192 total cpu time spent up to now is 92.2 secs Computing kpt #: 193 total cpu time spent up to now is 92.7 secs Computing kpt #: 194 total cpu time spent up to now is 93.1 secs Computing kpt #: 195 total cpu time spent up to now is 93.7 secs Computing kpt #: 196 total cpu time spent up to now is 94.2 secs Computing kpt #: 197 total cpu time spent up to now is 94.6 secs Computing kpt #: 198 total cpu time spent up to now is 95.1 secs Computing kpt #: 199 total cpu time spent up to now is 95.6 secs Computing kpt #: 200 total cpu time spent up to now is 96.1 secs Computing kpt #: 201 total cpu time spent up to now is 96.6 secs Computing kpt #: 202 total cpu time spent up to now is 97.1 secs Computing kpt #: 203 total cpu time spent up to now is 97.5 secs Computing kpt #: 204 total cpu time spent up to now is 98.0 secs Computing kpt #: 205 total cpu time spent up to now is 98.5 secs Computing kpt #: 206 total cpu time spent up to now is 99.0 secs Computing kpt #: 207 total cpu time spent up to now is 99.4 secs Computing kpt #: 208 total cpu time spent up to now is 99.9 secs Computing kpt #: 209 total cpu time spent up to now is 100.3 secs Computing kpt #: 210 total cpu time spent up to now is 100.7 secs Computing kpt #: 211 total cpu time spent up to now is 101.1 secs Computing kpt #: 212 total cpu time spent up to now is 101.5 secs Computing kpt #: 213 total cpu time spent up to now is 101.9 secs Computing kpt #: 214 total cpu time spent up to now is 102.3 secs Computing kpt #: 215 total cpu time spent up to now is 102.7 secs Computing kpt #: 216 total cpu time spent up to now is 103.2 secs Computing kpt #: 217 total cpu time spent up to now is 103.7 secs Computing kpt #: 218 total cpu time spent up to now is 104.2 secs Computing kpt #: 219 total cpu time spent up to now is 104.6 secs Computing kpt #: 220 total cpu time spent up to now is 105.1 secs Computing kpt #: 221 total cpu time spent up to now is 105.5 secs Computing kpt #: 222 total cpu time spent up to now is 105.9 secs Computing kpt #: 223 total cpu time spent up to now is 106.3 secs Computing kpt #: 224 total cpu time spent up to now is 106.7 secs Computing kpt #: 225 total cpu time spent up to now is 107.1 secs Computing kpt #: 226 total cpu time spent up to now is 107.5 secs Computing kpt #: 227 total cpu time spent up to now is 107.9 secs Computing kpt #: 228 total cpu time spent up to now is 108.2 secs Computing kpt #: 229 total cpu time spent up to now is 108.6 secs Computing kpt #: 230 total cpu time spent up to now is 109.0 secs Computing kpt #: 231 total cpu time spent up to now is 109.4 secs Computing kpt #: 232 total cpu time spent up to now is 109.8 secs Computing kpt #: 233 total cpu time spent up to now is 110.2 secs Computing kpt #: 234 total cpu time spent up to now is 110.7 secs Computing kpt #: 235 total cpu time spent up to now is 111.2 secs Computing kpt #: 236 total cpu time spent up to now is 111.7 secs Computing kpt #: 237 total cpu time spent up to now is 112.3 secs Computing kpt #: 238 total cpu time spent up to now is 112.9 secs Computing kpt #: 239 total cpu time spent up to now is 113.5 secs Computing kpt #: 240 total cpu time spent up to now is 114.1 secs Computing kpt #: 241 total cpu time spent up to now is 114.7 secs Computing kpt #: 242 total cpu time spent up to now is 115.4 secs Computing kpt #: 243 total cpu time spent up to now is 116.0 secs Computing kpt #: 244 total cpu time spent up to now is 116.6 secs Computing kpt #: 245 total cpu time spent up to now is 117.2 secs Computing kpt #: 246 total cpu time spent up to now is 118.2 secs Computing kpt #: 247 total cpu time spent up to now is 118.8 secs Computing kpt #: 248 total cpu time spent up to now is 119.2 secs Computing kpt #: 249 total cpu time spent up to now is 119.7 secs Computing kpt #: 250 total cpu time spent up to now is 120.2 secs Computing kpt #: 251 total cpu time spent up to now is 120.8 secs Computing kpt #: 252 total cpu time spent up to now is 121.3 secs Computing kpt #: 253 total cpu time spent up to now is 121.8 secs Computing kpt #: 254 total cpu time spent up to now is 122.3 secs Computing kpt #: 255 total cpu time spent up to now is 122.9 secs Computing kpt #: 256 total cpu time spent up to now is 123.4 secs Computing kpt #: 257 total cpu time spent up to now is 123.8 secs Computing kpt #: 258 total cpu time spent up to now is 124.2 secs Computing kpt #: 259 total cpu time spent up to now is 124.7 secs Computing kpt #: 260 total cpu time spent up to now is 125.1 secs Computing kpt #: 261 total cpu time spent up to now is 125.5 secs Computing kpt #: 262 total cpu time spent up to now is 125.9 secs Computing kpt #: 263 total cpu time spent up to now is 126.3 secs Computing kpt #: 264 total cpu time spent up to now is 126.8 secs Computing kpt #: 265 total cpu time spent up to now is 127.3 secs Computing kpt #: 266 total cpu time spent up to now is 127.8 secs Computing kpt #: 267 total cpu time spent up to now is 128.3 secs Computing kpt #: 268 total cpu time spent up to now is 128.8 secs Computing kpt #: 269 total cpu time spent up to now is 129.3 secs Computing kpt #: 270 total cpu time spent up to now is 129.8 secs Computing kpt #: 271 total cpu time spent up to now is 130.2 secs Computing kpt #: 272 total cpu time spent up to now is 130.7 secs Computing kpt #: 273 total cpu time spent up to now is 131.2 secs Computing kpt #: 274 total cpu time spent up to now is 131.7 secs Computing kpt #: 275 total cpu time spent up to now is 132.3 secs Computing kpt #: 276 total cpu time spent up to now is 132.8 secs Computing kpt #: 277 total cpu time spent up to now is 133.5 secs Computing kpt #: 278 total cpu time spent up to now is 134.1 secs Computing kpt #: 279 total cpu time spent up to now is 134.6 secs Computing kpt #: 280 total cpu time spent up to now is 135.0 secs Computing kpt #: 281 total cpu time spent up to now is 135.4 secs Computing kpt #: 282 total cpu time spent up to now is 135.7 secs Computing kpt #: 283 total cpu time spent up to now is 136.1 secs Computing kpt #: 284 total cpu time spent up to now is 136.5 secs Computing kpt #: 285 total cpu time spent up to now is 136.9 secs Computing kpt #: 286 total cpu time spent up to now is 137.2 secs Computing kpt #: 287 total cpu time spent up to now is 137.6 secs Computing kpt #: 288 total cpu time spent up to now is 138.0 secs Computing kpt #: 289 total cpu time spent up to now is 138.6 secs Computing kpt #: 290 total cpu time spent up to now is 139.1 secs Computing kpt #: 291 total cpu time spent up to now is 139.5 secs Computing kpt #: 292 total cpu time spent up to now is 140.0 secs Computing kpt #: 293 total cpu time spent up to now is 140.4 secs Computing kpt #: 294 total cpu time spent up to now is 140.8 secs Computing kpt #: 295 total cpu time spent up to now is 141.2 secs Computing kpt #: 296 total cpu time spent up to now is 141.6 secs Computing kpt #: 297 total cpu time spent up to now is 141.9 secs Computing kpt #: 298 total cpu time spent up to now is 142.3 secs Computing kpt #: 299 total cpu time spent up to now is 142.7 secs Computing kpt #: 300 total cpu time spent up to now is 143.0 secs Computing kpt #: 301 total cpu time spent up to now is 143.4 secs Computing kpt #: 302 total cpu time spent up to now is 143.7 secs Computing kpt #: 303 total cpu time spent up to now is 144.1 secs Computing kpt #: 304 total cpu time spent up to now is 144.4 secs Computing kpt #: 305 total cpu time spent up to now is 144.8 secs Computing kpt #: 306 total cpu time spent up to now is 145.2 secs Computing kpt #: 307 total cpu time spent up to now is 145.5 secs Computing kpt #: 308 total cpu time spent up to now is 145.9 secs Computing kpt #: 309 total cpu time spent up to now is 146.2 secs Computing kpt #: 310 total cpu time spent up to now is 146.6 secs Computing kpt #: 311 total cpu time spent up to now is 146.9 secs Computing kpt #: 312 total cpu time spent up to now is 147.4 secs Computing kpt #: 313 total cpu time spent up to now is 148.0 secs Computing kpt #: 314 total cpu time spent up to now is 148.5 secs Computing kpt #: 315 total cpu time spent up to now is 149.0 secs Computing kpt #: 316 total cpu time spent up to now is 149.5 secs Computing kpt #: 317 total cpu time spent up to now is 150.1 secs Computing kpt #: 318 total cpu time spent up to now is 150.7 secs Computing kpt #: 319 total cpu time spent up to now is 151.3 secs Computing kpt #: 320 total cpu time spent up to now is 151.8 secs Computing kpt #: 321 total cpu time spent up to now is 152.4 secs Computing kpt #: 322 total cpu time spent up to now is 152.9 secs Computing kpt #: 323 total cpu time spent up to now is 153.5 secs Computing kpt #: 324 total cpu time spent up to now is 153.9 secs Computing kpt #: 325 total cpu time spent up to now is 154.4 secs Computing kpt #: 326 total cpu time spent up to now is 154.9 secs Computing kpt #: 327 total cpu time spent up to now is 155.4 secs Computing kpt #: 328 total cpu time spent up to now is 156.0 secs Computing kpt #: 329 total cpu time spent up to now is 156.5 secs Computing kpt #: 330 total cpu time spent up to now is 157.1 secs Computing kpt #: 331 total cpu time spent up to now is 157.7 secs Computing kpt #: 332 total cpu time spent up to now is 158.3 secs Computing kpt #: 333 total cpu time spent up to now is 158.8 secs Computing kpt #: 334 total cpu time spent up to now is 159.4 secs Computing kpt #: 335 total cpu time spent up to now is 159.9 secs Computing kpt #: 336 total cpu time spent up to now is 160.5 secs Computing kpt #: 337 total cpu time spent up to now is 161.0 secs Computing kpt #: 338 total cpu time spent up to now is 161.4 secs Computing kpt #: 339 total cpu time spent up to now is 161.8 secs Computing kpt #: 340 total cpu time spent up to now is 162.4 secs Computing kpt #: 341 total cpu time spent up to now is 162.9 secs Computing kpt #: 342 total cpu time spent up to now is 163.3 secs Computing kpt #: 343 total cpu time spent up to now is 163.9 secs Computing kpt #: 344 total cpu time spent up to now is 164.4 secs Computing kpt #: 345 total cpu time spent up to now is 165.0 secs Computing kpt #: 346 total cpu time spent up to now is 165.8 secs Computing kpt #: 347 total cpu time spent up to now is 166.9 secs Computing kpt #: 348 total cpu time spent up to now is 167.5 secs Computing kpt #: 349 total cpu time spent up to now is 168.0 secs Computing kpt #: 350 total cpu time spent up to now is 168.6 secs Computing kpt #: 351 total cpu time spent up to now is 169.1 secs Computing kpt #: 352 total cpu time spent up to now is 169.5 secs Computing kpt #: 353 total cpu time spent up to now is 170.0 secs Computing kpt #: 354 total cpu time spent up to now is 170.4 secs ethr = 2.50E-08, avg # of iterations = 27.0 total cpu time spent up to now is 170.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2679 PWs) bands (ev): -4.8665 -4.8665 -0.5717 -0.5717 -0.2539 -0.2539 2.7859 2.7859 3.9846 3.9846 5.0394 5.0394 5.5628 5.5628 5.8233 5.8233 5.8540 5.8540 6.4771 6.4771 6.5667 6.5667 6.7719 6.7719 7.5634 7.5634 7.7654 7.7654 7.9662 7.9662 8.0253 8.0253 8.5389 8.5389 8.6674 8.6674 9.3856 9.3856 9.8789 9.8789 10.6682 10.6682 12.3332 12.3332 13.1339 13.1339 14.0470 14.0470 k = 0.0087 0.0077-0.0065 ( 2676 PWs) bands (ev): -4.8654 -4.8654 -0.5910 -0.5910 -0.2337 -0.2337 2.7807 2.7807 3.9834 3.9834 5.0420 5.0420 5.5558 5.5558 5.8268 5.8268 5.8560 5.8560 6.4662 6.4662 6.5793 6.5793 6.7748 6.7748 7.5650 7.5650 7.7657 7.7657 7.9671 7.9671 8.0255 8.0255 8.5386 8.5386 8.6666 8.6666 9.3848 9.3848 9.8781 9.8781 10.6681 10.6681 12.3265 12.3265 13.1212 13.1212 14.0548 14.0548 k = 0.0174 0.0153-0.0130 ( 2671 PWs) bands (ev): -4.8619 -4.8619 -0.6389 -0.6389 -0.1832 -0.1832 2.7655 2.7655 3.9800 3.9800 5.0499 5.0499 5.5362 5.5362 5.8361 5.8361 5.8619 5.8619 6.4433 6.4433 6.6076 6.6076 6.7832 6.7832 7.5699 7.5699 7.7668 7.7668 7.9695 7.9695 8.0264 8.0264 8.5374 8.5374 8.6639 8.6639 9.3826 9.3826 9.8758 9.8758 10.6676 10.6676 12.3070 12.3070 13.0844 13.0844 14.0771 14.0771 k = 0.0260 0.0230-0.0194 ( 2677 PWs) bands (ev): -4.8561 -4.8561 -0.7007 -0.7007 -0.1172 -0.1172 2.7407 2.7407 3.9744 3.9744 5.0622 5.0622 5.5070 5.5070 5.8485 5.8485 5.8719 5.8719 6.4176 6.4176 6.6421 6.6421 6.7969 6.7969 7.5776 7.5776 7.7684 7.7684 7.9735 7.9735 8.0280 8.0280 8.5354 8.5354 8.6593 8.6593 9.3790 9.3790 9.8718 9.8718 10.6668 10.6668 12.2769 12.2769 13.0271 13.0271 14.1114 14.1114 k = 0.0347 0.0306-0.0259 ( 2677 PWs) bands (ev): -4.8480 -4.8480 -0.7685 -0.7685 -0.0435 -0.0435 2.7068 2.7068 3.9665 3.9665 5.0780 5.0780 5.4714 5.4714 5.8617 5.8617 5.8862 5.8862 6.3921 6.3921 6.6798 6.6798 6.8152 6.8152 7.5880 7.5880 7.7707 7.7707 7.9791 7.9791 8.0307 8.0307 8.5326 8.5326 8.6528 8.6528 9.3740 9.3740 9.8658 9.8658 10.6658 10.6658 12.2391 12.2391 12.9540 12.9540 14.1536 14.1536 k = 0.0434 0.0383-0.0324 ( 2677 PWs) bands (ev): -4.8376 -4.8376 -0.8389 -0.8389 0.0343 0.0343 2.6647 2.6647 3.9566 3.9566 5.0963 5.0963 5.4316 5.4316 5.8743 5.8743 5.9049 5.9049 6.3680 6.3680 6.7193 6.7193 6.8373 6.8373 7.6004 7.6004 7.7736 7.7736 7.9857 7.9857 8.0350 8.0350 8.5290 8.5290 8.6440 8.6440 9.3677 9.3677 9.8578 9.8578 10.6645 10.6645 12.1969 12.1969 12.8701 12.8701 14.1993 14.1993 k = 0.0521 0.0459-0.0389 ( 2683 PWs) bands (ev): -4.8250 -4.8250 -0.9101 -0.9101 0.1144 0.1144 2.6152 2.6152 3.9446 3.9446 5.1156 5.1156 5.3895 5.3895 5.8852 5.8852 5.9284 5.9284 6.3454 6.3454 6.7602 6.7602 6.8625 6.8625 7.6144 7.6144 7.7772 7.7772 7.9929 7.9929 8.0418 8.0418 8.5246 8.5246 8.6329 8.6329 9.3603 9.3603 9.8474 9.8474 10.6631 10.6631 12.1534 12.1534 12.7797 12.7797 14.2438 14.2438 k = 0.0607 0.0536-0.0453 ( 2693 PWs) bands (ev): -4.8100 -4.8100 -0.9813 -0.9813 0.1959 0.1959 2.5593 2.5593 3.9308 3.9308 5.1349 5.1349 5.3463 5.3463 5.8938 5.8938 5.9571 5.9571 6.3247 6.3247 6.8019 6.8019 6.8899 6.8899 7.6290 7.6290 7.7815 7.7815 7.9995 7.9995 8.0524 8.0524 8.5192 8.5192 8.6193 8.6193 9.3520 9.3520 9.8343 9.8343 10.6618 10.6618 12.1114 12.1114 12.6866 12.6866 14.2487 14.2487 k = 0.0694 0.0612-0.0518 ( 2689 PWs) bands (ev): -4.7927 -4.7927 -1.0521 -1.0521 0.2782 0.2782 2.4978 2.4978 3.9153 3.9153 5.1530 5.1530 5.3031 5.3031 5.8999 5.8999 5.9909 5.9909 6.3059 6.3059 6.8441 6.8441 6.9190 6.9190 7.6437 7.6437 7.7865 7.7865 8.0051 8.0051 8.0675 8.0675 8.5128 8.5128 8.6032 8.6032 9.3433 9.3433 9.8182 9.8182 10.6608 10.6608 12.0735 12.0735 12.5939 12.5939 14.2091 14.2091 k = 0.0781 0.0689-0.0583 ( 2687 PWs) bands (ev): -4.7731 -4.7731 -1.1222 -1.1222 0.3607 0.3607 2.4316 2.4316 3.8983 3.8983 5.1692 5.1692 5.2609 5.2609 5.9036 5.9036 6.0295 6.0295 6.2891 6.2891 6.8864 6.8864 6.9492 6.9492 7.6577 7.6577 7.7919 7.7919 8.0095 8.0095 8.0872 8.0872 8.5049 8.5049 8.5848 8.5848 9.3344 9.3344 9.7987 9.7987 10.6604 10.6604 12.0418 12.0418 12.5039 12.5039 14.1660 14.1660 k = 0.0868 0.0766-0.0648 ( 2684 PWs) bands (ev): -4.7513 -4.7513 -1.1913 -1.1913 0.4432 0.4432 2.3615 2.3615 3.8802 3.8802 5.1818 5.1818 5.2211 5.2211 5.9048 5.9048 6.0723 6.0723 6.2741 6.2741 6.9283 6.9283 6.9802 6.9802 7.6707 7.6707 7.7978 7.7978 8.0130 8.0130 8.1109 8.1109 8.4948 8.4948 8.5647 8.5647 9.3256 9.3256 9.7757 9.7757 10.6610 10.6610 12.0177 12.0177 12.4187 12.4187 14.1198 14.1198 k = 0.0954 0.0842-0.0712 ( 2688 PWs) bands (ev): -4.7272 -4.7272 -1.2593 -1.2593 0.5253 0.5253 2.2880 2.2880 3.8610 3.8610 5.1741 5.1741 5.2009 5.2009 5.9036 5.9036 6.1182 6.1182 6.2611 6.2611 6.9692 6.9692 7.0118 7.0118 7.6823 7.6823 7.8038 7.8038 8.0160 8.0160 8.1375 8.1375 8.4807 8.4807 8.5448 8.5448 9.3175 9.3175 9.7489 9.7489 10.6629 10.6629 12.0025 12.0025 12.3398 12.3398 14.0706 14.0706 k = 0.1041 0.0919-0.0777 ( 2686 PWs) bands (ev): -4.7008 -4.7008 -1.3262 -1.3262 0.6066 0.6066 2.2118 2.2118 3.8413 3.8413 5.1395 5.1395 5.2074 5.2074 5.9001 5.9001 6.1654 6.1654 6.2508 6.2508 7.0084 7.0084 7.0444 7.0444 7.6926 7.6926 7.8098 7.8098 8.0186 8.0186 8.1660 8.1660 8.4604 8.4604 8.5278 8.5278 9.3107 9.3107 9.7185 9.7185 10.6666 10.6666 11.9971 11.9971 12.2683 12.2683 14.0186 14.0186 k = 0.1128 0.0995-0.0842 ( 2689 PWs) bands (ev): -4.6723 -4.6723 -1.3918 -1.3918 0.6869 0.6869 2.1334 2.1334 3.8214 3.8214 5.1049 5.1049 5.2142 5.2142 5.8944 5.8944 6.2080 6.2080 6.2475 6.2475 7.0450 7.0450 7.0783 7.0783 7.7014 7.7014 7.8155 7.8155 8.0209 8.0209 8.1949 8.1949 8.4332 8.4332 8.5151 8.5151 9.3054 9.3054 9.6848 9.6848 10.6723 10.6723 12.0019 12.0019 12.2052 12.2052 13.9641 13.9641 k = 0.1215 0.1072-0.0907 ( 2687 PWs) bands (ev): -4.6414 -4.6414 -1.4561 -1.4561 0.7657 0.7657 2.0534 2.0534 3.8016 3.8016 5.0726 5.0726 5.2195 5.2195 5.8866 5.8866 6.2205 6.2205 6.2752 6.2752 7.0785 7.0785 7.1132 7.1132 7.7091 7.7091 7.8209 7.8209 8.0230 8.0230 8.2225 8.2225 8.4013 8.4013 8.5064 8.5064 9.3023 9.3023 9.6481 9.6481 10.6803 10.6803 12.0172 12.0172 12.1511 12.1511 13.9076 13.9076 k = 0.1302 0.1148-0.0972 ( 2688 PWs) bands (ev): -4.6084 -4.6084 -1.5191 -1.5191 0.8426 0.8426 1.9719 1.9719 3.7825 3.7825 5.0428 5.0428 5.2235 5.2235 5.8768 5.8768 6.2160 6.2160 6.3189 6.3189 7.1094 7.1094 7.1486 7.1486 7.7156 7.7156 7.8257 7.8257 8.0245 8.0245 8.2464 8.2464 8.3681 8.3681 8.5010 8.5010 9.3016 9.3016 9.6092 9.6092 10.6906 10.6906 12.0421 12.0421 12.1070 12.1070 13.8494 13.8494 k = 0.1388 0.1225-0.1036 ( 2694 PWs) bands (ev): -4.5732 -4.5732 -1.5808 -1.5808 0.9174 0.9174 1.8894 1.8894 3.7644 3.7644 5.0157 5.0157 5.2265 5.2265 5.8650 5.8650 6.2103 6.2103 6.3611 6.3611 7.1380 7.1380 7.1832 7.1832 7.7211 7.7211 7.8298 7.8298 8.0252 8.0252 8.2619 8.2619 8.3394 8.3394 8.4987 8.4987 9.3035 9.3035 9.5688 9.5688 10.7032 10.7032 12.0607 12.0607 12.0889 12.0889 13.7902 13.7902 k = 0.1475 0.1301-0.1101 ( 2698 PWs) bands (ev): -4.5358 -4.5358 -1.6410 -1.6410 0.9896 0.9896 1.8062 1.8062 3.7479 3.7479 4.9914 4.9914 5.2289 5.2289 5.8516 5.8516 6.2049 6.2049 6.3978 6.3978 7.1649 7.1649 7.2161 7.2161 7.7256 7.7256 7.8332 7.8332 8.0250 8.0250 8.2601 8.2601 8.3255 8.3255 8.4996 8.4996 9.3081 9.3081 9.5280 9.5280 10.7181 10.7181 12.0390 12.0390 12.1302 12.1302 13.7307 13.7307 k = 0.1562 0.1378-0.1166 ( 2703 PWs) bands (ev): -4.4962 -4.4962 -1.6998 -1.6998 1.0587 1.0587 1.7225 1.7225 3.7334 3.7334 4.9698 4.9698 5.2308 5.2308 5.8365 5.8365 6.2002 6.2002 6.4267 6.4267 7.1901 7.1901 7.2466 7.2466 7.7290 7.7290 7.8359 7.8359 8.0236 8.0236 8.2429 8.2429 8.3263 8.3263 8.5036 8.5036 9.3150 9.3150 9.4880 9.4880 10.7349 10.7349 12.0208 12.0208 12.1865 12.1865 13.6718 13.6718 k = 0.1649 0.1455-0.1231 ( 2701 PWs) bands (ev): -4.4545 -4.4545 -1.7572 -1.7572 1.1244 1.1244 1.6385 1.6385 3.7213 3.7213 4.9510 4.9510 5.2327 5.2327 5.8201 5.8201 6.1960 6.1960 6.4456 6.4456 7.2137 7.2137 7.2742 7.2742 7.7316 7.7316 7.8381 7.8381 8.0215 8.0215 8.2246 8.2246 8.3294 8.3294 8.5102 8.5102 9.3236 9.3236 9.4504 9.4504 10.7535 10.7535 12.0100 12.0100 12.2528 12.2528 13.6144 13.6144 k = 0.1735 0.1531-0.1295 ( 2705 PWs) bands (ev): -4.4106 -4.4106 -1.8132 -1.8132 1.1863 1.1863 1.5544 1.5544 3.7121 3.7121 4.9347 4.9347 5.2349 5.2349 5.8026 5.8026 6.1924 6.1924 6.4525 6.4525 7.2355 7.2355 7.2986 7.2986 7.7332 7.7332 7.8401 7.8401 8.0196 8.0196 8.2113 8.2113 8.3303 8.3303 8.5182 8.5182 9.3309 9.3309 9.4191 9.4191 10.7734 10.7734 12.0059 12.0059 12.3281 12.3281 13.5596 13.5596 k = 0.1822 0.1608-0.1360 ( 2703 PWs) bands (ev): -4.3647 -4.3647 -1.8676 -1.8676 1.2440 1.2440 1.4703 1.4703 3.7060 3.7060 4.9210 4.9210 5.2374 5.2374 5.7843 5.7843 6.1890 6.1890 6.4459 6.4459 7.2555 7.2555 7.3194 7.3194 7.7344 7.7344 7.8425 7.8425 8.0196 8.0196 8.2040 8.2040 8.3286 8.3286 8.5261 8.5261 9.3286 9.3286 9.4030 9.4030 10.7944 10.7944 12.0079 12.0079 12.4116 12.4116 13.5086 13.5086 k = 0.1909 0.1684-0.1425 ( 2703 PWs) bands (ev): -4.3166 -4.3166 -1.9207 -1.9207 1.2970 1.2970 1.3866 1.3866 3.7033 3.7033 4.9096 4.9096 5.2405 5.2405 5.7656 5.7656 6.1855 6.1855 6.4249 6.4249 7.2734 7.2734 7.3369 7.3369 7.7357 7.7357 7.8456 7.8456 8.0228 8.0228 8.2018 8.2018 8.3251 8.3251 8.5327 8.5327 9.3107 9.3107 9.4085 9.4085 10.8161 10.8161 12.0146 12.0146 12.5025 12.5025 13.4628 13.4628 k = 0.1996 0.1761-0.1490 ( 2697 PWs) bands (ev): -4.2666 -4.2666 -1.9722 -1.9722 1.3014 1.3014 1.3467 1.3467 3.7042 3.7042 4.9005 4.9005 5.2445 5.2445 5.7470 5.7470 6.1812 6.1812 6.3899 6.3899 7.2890 7.2890 7.3513 7.3513 7.7377 7.7377 7.8496 7.8496 8.0302 8.0302 8.2033 8.2033 8.3206 8.3206 8.5373 8.5373 9.2862 9.2862 9.4270 9.4270 10.8381 10.8381 12.0250 12.0250 12.5996 12.5996 13.4236 13.4236 k = 0.2082 0.1837-0.1555 ( 2699 PWs) bands (ev): -4.2145 -4.2145 -2.0223 -2.0223 1.2186 1.2186 1.3895 1.3895 3.7087 3.7087 4.8933 4.8933 5.2493 5.2493 5.7288 5.7288 6.1743 6.1743 6.3431 6.3431 7.3023 7.3023 7.3631 7.3631 7.7404 7.7404 7.8545 7.8545 8.0418 8.0418 8.2072 8.2072 8.3158 8.3158 8.5394 8.5394 9.2617 9.2617 9.4517 9.4517 10.8601 10.8601 12.0377 12.0377 12.7015 12.7015 13.3927 13.3927 k = 0.2169 0.1914-0.1619 ( 2695 PWs) bands (ev): -4.1604 -4.1604 -2.0709 -2.0709 1.1355 1.1355 1.4278 1.4278 3.7166 3.7166 4.8879 4.8879 5.2552 5.2552 5.7118 5.7118 6.1598 6.1598 6.2909 6.2909 7.3130 7.3130 7.3727 7.3727 7.7440 7.7440 7.8599 7.8599 8.0575 8.0575 8.2124 8.2124 8.3116 8.3116 8.5390 8.5390 9.2395 9.2395 9.4802 9.4802 10.8817 10.8817 12.0514 12.0514 12.8064 12.8064 13.3716 13.3716 k = 0.2256 0.1990-0.1684 ( 2695 PWs) bands (ev): -4.1043 -4.1043 -2.1180 -2.1180 1.0527 1.0527 1.4610 1.4610 3.7276 3.7276 4.8841 4.8841 5.2622 5.2622 5.6965 5.6965 6.1250 6.1250 6.2477 6.2477 7.3210 7.3210 7.3804 7.3804 7.7481 7.7481 7.8657 7.8657 8.0767 8.0767 8.2176 8.2176 8.3084 8.3084 8.5363 8.5363 9.2201 9.2201 9.5115 9.5115 10.9027 10.9027 12.0648 12.0648 12.9115 12.9115 13.3616 13.3616 k = 0.2343 0.2067-0.1749 ( 2695 PWs) bands (ev): -4.0463 -4.0463 -2.1637 -2.1637 0.9703 0.9703 1.4892 1.4892 3.7414 3.7414 4.8814 4.8814 5.2704 5.2704 5.6836 5.6836 6.0599 6.0599 6.2256 6.2256 7.3262 7.3262 7.3864 7.3864 7.7525 7.7525 7.8714 7.8714 8.0984 8.0984 8.2222 8.2222 8.3069 8.3069 8.5317 8.5317 9.2037 9.2037 9.5448 9.5448 10.9228 10.9228 12.0773 12.0773 13.0135 13.0135 13.3642 13.3642 k = 0.2429 0.2143-0.1814 ( 2699 PWs) bands (ev): -3.9864 -3.9864 -2.2079 -2.2079 0.8884 0.8884 1.5126 1.5126 3.7575 3.7575 4.8797 4.8797 5.2798 5.2798 5.6740 5.6740 5.9739 5.9739 6.2168 6.2168 7.3285 7.3285 7.3909 7.3909 7.7568 7.7568 7.8770 7.8770 8.1217 8.1217 8.2256 8.2256 8.3075 8.3075 8.5259 8.5259 9.1899 9.1899 9.5795 9.5795 10.9417 10.9417 12.0882 12.0882 13.1079 13.1079 13.3799 13.3799 k = 0.2516 0.2220-0.1878 ( 2699 PWs) bands (ev): -3.9247 -3.9247 -2.2506 -2.2506 0.8069 0.8069 1.5314 1.5314 3.7750 3.7750 4.8786 4.8786 5.2904 5.2904 5.6683 5.6683 5.8768 5.8768 6.2135 6.2135 7.3278 7.3278 7.3937 7.3937 7.7610 7.7610 7.8823 7.8823 8.1455 8.1455 8.2276 8.2276 8.3103 8.3103 8.5196 8.5196 9.1786 9.1786 9.6148 9.6148 10.9593 10.9593 12.0979 12.0979 13.1903 13.1903 13.4089 13.4089 k = 0.2603 0.2297-0.1943 ( 2707 PWs) bands (ev): -3.8611 -3.8611 -2.2918 -2.2918 0.7258 0.7258 1.5461 1.5461 3.7934 3.7934 4.8779 4.8779 5.3023 5.3023 5.6672 5.6672 5.7734 5.7734 6.2126 6.2126 7.3241 7.3241 7.3949 7.3949 7.7649 7.7649 7.8874 7.8874 8.1684 8.1684 8.2286 8.2286 8.3151 8.3151 8.5132 8.5132 9.1694 9.1694 9.6500 9.6500 10.9752 10.9752 12.1069 12.1069 13.2581 13.2581 13.4510 13.4510 k = 0.2690 0.2373-0.2008 ( 2706 PWs) bands (ev): -3.7957 -3.7957 -2.3316 -2.3316 0.6451 0.6451 1.5568 1.5568 3.8118 3.8118 4.8773 4.8773 5.3153 5.3153 5.6617 5.6617 5.6757 5.6757 6.2131 6.2131 7.3175 7.3175 7.3945 7.3945 7.7684 7.7684 7.8924 7.8924 8.1887 8.1887 8.2300 8.2300 8.3215 8.3215 8.5078 8.5078 9.1619 9.1619 9.6843 9.6843 10.9896 10.9896 12.1163 12.1163 13.3125 13.3125 13.5052 13.5052 k = 0.2777 0.2450-0.2073 ( 2710 PWs) bands (ev): -3.7287 -3.7287 -2.3699 -2.3699 0.5647 0.5647 1.5642 1.5642 3.8294 3.8294 4.8767 4.8767 5.3289 5.3289 5.5556 5.5556 5.6824 5.6824 6.2145 6.2145 7.3082 7.3082 7.3923 7.3923 7.7716 7.7716 7.8970 7.8970 8.2025 8.2025 8.2350 8.2350 8.3291 8.3291 8.5037 8.5037 9.1559 9.1559 9.7170 9.7170 11.0024 11.0024 12.1274 12.1274 13.3577 13.3577 13.5704 13.5704 k = 0.2863 0.2526-0.2137 ( 2714 PWs) bands (ev): -3.6599 -3.6599 -2.4067 -2.4067 0.4847 0.4847 1.5686 1.5686 3.8454 3.8454 4.8763 4.8763 5.3405 5.3405 5.4482 5.4482 5.6985 5.6985 6.2165 6.2165 7.2962 7.2962 7.3884 7.3884 7.7744 7.7744 7.9014 7.9014 8.2072 8.2072 8.2461 8.2461 8.3379 8.3379 8.5016 8.5016 9.1511 9.1511 9.7474 9.7474 11.0136 11.0136 12.1418 12.1418 13.3983 13.3983 13.6452 13.6452 k = 0.2950 0.2603-0.2202 ( 2716 PWs) bands (ev): -3.5895 -3.5895 -2.4421 -2.4421 0.4050 0.4050 1.5704 1.5704 3.8592 3.8592 4.8761 4.8761 5.3115 5.3115 5.3822 5.3822 5.7206 5.7206 6.2191 6.2191 7.2817 7.2817 7.3826 7.3826 7.7770 7.7770 7.9056 7.9056 8.2063 8.2063 8.2592 8.2592 8.3476 8.3476 8.5017 8.5017 9.1472 9.1472 9.7749 9.7749 11.0233 11.0233 12.1608 12.1608 13.4380 13.4380 13.7281 13.7281 k = 0.3037 0.2679-0.2267 ( 2714 PWs) bands (ev): -3.5175 -3.5175 -2.4760 -2.4760 0.3256 0.3256 1.5700 1.5700 3.8702 3.8702 4.8764 4.8764 5.2097 5.2097 5.3905 5.3905 5.7487 5.7487 6.2224 6.2224 7.2649 7.2649 7.3749 7.3749 7.7792 7.7792 7.9095 7.9095 8.2032 8.2032 8.2709 8.2709 8.3583 8.3583 8.5044 8.5044 9.1443 9.1443 9.7988 9.7988 11.0319 11.0319 12.1856 12.1856 13.4794 13.4794 13.8177 13.8177 k = 0.3124 0.2756-0.2332 ( 2712 PWs) bands (ev): -3.4440 -3.4440 -2.5085 -2.5085 0.2463 0.2463 1.5678 1.5678 3.8780 3.8780 4.8775 4.8775 5.1005 5.1005 5.4087 5.4087 5.7821 5.7821 6.2261 6.2261 7.2461 7.2461 7.3653 7.3653 7.7812 7.7812 7.9133 7.9133 8.1991 8.1991 8.2802 8.2802 8.3698 8.3698 8.5094 8.5094 9.1420 9.1420 9.8189 9.8189 11.0396 11.0396 12.2170 12.2170 13.5239 13.5239 13.9124 13.9124 k = 0.3210 0.2832-0.2397 ( 2712 PWs) bands (ev): -3.3690 -3.3690 -2.5395 -2.5395 0.1672 0.1672 1.5641 1.5641 3.8823 3.8823 4.8798 4.8798 4.9917 4.9917 5.4292 5.4292 5.8203 5.8203 6.2305 6.2305 7.2256 7.2256 7.3536 7.3536 7.7830 7.7830 7.9168 7.9168 8.1944 8.1944 8.2869 8.2869 8.3818 8.3818 8.5168 8.5168 9.1404 9.1404 9.8349 9.8349 11.0467 11.0467 12.2557 12.2557 13.5722 13.5722 14.0108 14.0108 k = 0.3297 0.2909-0.2461 ( 2704 PWs) bands (ev): -3.2926 -3.2926 -2.5690 -2.5690 0.0881 0.0881 1.5593 1.5593 3.8831 3.8831 4.8832 4.8832 4.8850 4.8850 5.4513 5.4513 5.8624 5.8624 6.2356 6.2356 7.2035 7.2035 7.3399 7.3399 7.7847 7.7847 7.9202 7.9202 8.1895 8.1895 8.2914 8.2914 8.3944 8.3944 8.5263 8.5263 9.1395 9.1395 9.8469 9.8469 11.0536 11.0536 12.3020 12.3020 13.6242 13.6242 14.1112 14.1112 k = 0.3384 0.2986-0.2526 ( 2702 PWs) bands (ev): -3.2148 -3.2148 -2.5971 -2.5971 0.0090 0.0090 1.5537 1.5537 3.8803 3.8803 4.7800 4.7800 4.8890 4.8890 5.4744 5.4744 5.9076 5.9076 6.2413 6.2413 7.1803 7.1803 7.3240 7.3240 7.7860 7.7860 7.9234 7.9234 8.1845 8.1845 8.2939 8.2939 8.4072 8.4072 8.5373 8.5373 9.1392 9.1392 9.8551 9.8551 11.0608 11.0608 12.3560 12.3560 13.6797 13.6797 14.2121 14.2121 k = 0.3471 0.3062-0.2591 ( 2703 PWs) bands (ev): -3.1358 -3.1358 -2.6238 -2.6238 -0.0701 -0.0701 1.5474 1.5474 3.8742 3.8742 4.6785 4.6785 4.8963 4.8963 5.4985 5.4985 5.9549 5.9549 6.2477 6.2477 7.1562 7.1562 7.3059 7.3059 7.7872 7.7872 7.9264 7.9264 8.1795 8.1795 8.2948 8.2948 8.4204 8.4204 8.5495 8.5495 9.1395 9.1395 9.8597 9.8597 11.0686 11.0686 12.4173 12.4173 13.7376 13.7376 14.3117 14.3117 k = 0.3557 0.3139-0.2656 ( 2703 PWs) bands (ev): -3.0556 -3.0556 -2.6491 -2.6491 -0.1493 -0.1493 1.5407 1.5407 3.8651 3.8651 4.5803 4.5803 4.9053 4.9053 5.5234 5.5234 6.0033 6.0033 6.2551 6.2551 7.1316 7.1316 7.2855 7.2855 7.7883 7.7883 7.9292 7.9292 8.1747 8.1747 8.2944 8.2944 8.4338 8.4338 8.5626 8.5626 9.1404 9.1404 9.8613 9.8613 11.0775 11.0775 12.4855 12.4855 13.7964 13.7964 14.4083 14.4083 k = 0.3644 0.3215-0.2720 ( 2706 PWs) bands (ev): -2.9744 -2.9744 -2.6729 -2.6729 -0.2288 -0.2288 1.5338 1.5338 3.8535 3.8535 4.4859 4.4859 4.9161 4.9161 5.5488 5.5488 6.0519 6.0519 6.2634 6.2634 7.1070 7.1070 7.2629 7.2629 7.7891 7.7891 7.9318 7.9318 8.1703 8.1703 8.2931 8.2931 8.4473 8.4473 8.5762 8.5762 9.1421 9.1421 9.8602 9.8602 11.0880 11.0880 12.5600 12.5600 13.8531 13.8531 14.4996 14.4996 k = 0.3731 0.3292-0.2785 ( 2708 PWs) bands (ev): -2.8920 -2.8920 -2.6952 -2.6952 -0.3085 -0.3085 1.5269 1.5269 3.8398 3.8398 4.3957 4.3957 4.9285 4.9285 5.5746 5.5746 6.0996 6.0996 6.2729 6.2729 7.0826 7.0826 7.2381 7.2381 7.7898 7.7898 7.9343 7.9343 8.1662 8.1662 8.2910 8.2910 8.4609 8.4609 8.5903 8.5903 9.1444 9.1444 9.8572 9.8572 11.1005 11.1005 12.6402 12.6402 13.9020 13.9020 14.5181 14.5181 k = 0.3818 0.3368-0.2850 ( 2704 PWs) bands (ev): -2.8088 -2.8088 -2.7162 -2.7162 -0.3885 -0.3885 1.5200 1.5200 3.8245 3.8245 4.3099 4.3099 4.9422 4.9422 5.6005 5.6005 6.1456 6.1456 6.2838 6.2838 7.0590 7.0590 7.2109 7.2109 7.7904 7.7904 7.9367 7.9367 8.1625 8.1625 8.2885 8.2885 8.4744 8.4744 8.6046 8.6046 9.1476 9.1476 9.8526 9.8526 11.1154 11.1154 12.7251 12.7251 13.9317 13.9317 14.4348 14.4348 k = 0.3905 0.3445-0.2915 ( 2701 PWs) bands (ev): -2.7358 -2.7358 -2.7247 -2.7247 -0.4688 -0.4688 1.5133 1.5133 3.8082 3.8082 4.2289 4.2289 4.9571 4.9571 5.6263 5.6263 6.1890 6.1890 6.2961 6.2961 7.0365 7.0365 7.1815 7.1815 7.7908 7.7908 7.9388 7.9388 8.1592 8.1592 8.2857 8.2857 8.4877 8.4877 8.6190 8.6190 9.1516 9.1516 9.8468 9.8468 11.1331 11.1331 12.8139 12.8139 13.9236 13.9236 14.3865 14.3865 k = 0.3991 0.3521-0.2980 ( 2700 PWs) bands (ev): -2.7538 -2.7538 -2.6399 -2.6399 -0.5495 -0.5495 1.5068 1.5068 3.7913 3.7913 4.1529 4.1529 4.9728 4.9728 5.6518 5.6518 6.2291 6.2291 6.3100 6.3100 7.0157 7.0157 7.1500 7.1500 7.7911 7.7911 7.9408 7.9408 8.1563 8.1563 8.2827 8.2827 8.5004 8.5004 8.6334 8.6334 9.1564 9.1564 9.8404 9.8404 11.1540 11.1540 12.9057 12.9057 13.8668 13.8668 14.3854 14.3854 k = 0.4078 0.3598-0.3044 ( 2702 PWs) bands (ev): -2.7705 -2.7705 -2.5545 -2.5545 -0.6306 -0.6306 1.5007 1.5007 3.7743 3.7743 4.0821 4.0821 4.9891 4.9891 5.6766 5.6766 6.2650 6.2650 6.3257 6.3257 6.9969 6.9969 7.1163 7.1163 7.7913 7.7913 7.9426 7.9426 8.1537 8.1537 8.2798 8.2798 8.5126 8.5126 8.6476 8.6476 9.1619 9.1619 9.8336 9.8336 11.1781 11.1781 12.9994 12.9994 13.7734 13.7734 14.4201 14.4201 k = 0.4165 0.3675-0.3109 ( 2700 PWs) bands (ev): -2.7858 -2.7858 -2.4686 -2.4686 -0.7121 -0.7121 1.4949 1.4949 3.7576 3.7576 4.0169 4.0169 5.0056 5.0056 5.7005 5.7005 6.2965 6.2965 6.3433 6.3433 6.9805 6.9805 7.0808 7.0808 7.7914 7.7914 7.9442 7.9442 8.1515 8.1515 8.2770 8.2770 8.5239 8.5239 8.6615 8.6615 9.1682 9.1682 9.8267 9.8267 11.2058 11.2058 13.0940 13.0940 13.6612 13.6612 14.4730 14.4730 k = 0.4252 0.3751-0.3174 ( 2694 PWs) bands (ev): -2.7996 -2.7996 -2.3825 -2.3825 -0.7940 -0.7940 1.4896 1.4896 3.7416 3.7416 3.9573 3.9573 5.0221 5.0221 5.7233 5.7233 6.3234 6.3234 6.3628 6.3628 6.9667 6.9667 7.0434 7.0434 7.7915 7.7915 7.9457 7.9457 8.1495 8.1495 8.2743 8.2743 8.5343 8.5343 8.6749 8.6749 9.1751 9.1751 9.8201 9.8201 11.2370 11.2370 13.1882 13.1882 13.5415 13.5415 14.5333 14.5333 k = 0.4338 0.3828-0.3239 ( 2688 PWs) bands (ev): -2.8121 -2.8121 -2.2962 -2.2962 -0.8761 -0.8761 1.4848 1.4848 3.7266 3.7266 3.9035 3.9035 5.0382 5.0382 5.7445 5.7445 6.3456 6.3456 6.3844 6.3844 6.9556 6.9556 7.0045 7.0045 7.7915 7.7915 7.9471 7.9471 8.1479 8.1479 8.2720 8.2720 8.5437 8.5437 8.6876 8.6876 9.1824 9.1824 9.8139 9.8139 11.2715 11.2715 13.2807 13.2807 13.4206 13.4206 14.5952 14.5952 k = 0.4425 0.3904-0.3303 ( 2690 PWs) bands (ev): -2.8231 -2.8231 -2.2101 -2.2101 -0.9583 -0.9583 1.4805 1.4805 3.7129 3.7129 3.8559 3.8559 5.0535 5.0535 5.7642 5.7642 6.3628 6.3628 6.4084 6.4084 6.9464 6.9464 6.9650 6.9650 7.7914 7.7914 7.9482 7.9482 8.1464 8.1464 8.2698 8.2698 8.5519 8.5519 8.6992 8.6992 9.1899 9.1899 9.8082 9.8082 11.3088 11.3088 13.3022 13.3022 13.3701 13.3701 14.6553 14.6553 k = 0.4512 0.3981-0.3368 ( 2690 PWs) bands (ev): -2.8327 -2.8327 -2.1244 -2.1244 -1.0403 -1.0403 1.4766 1.4766 3.7007 3.7007 3.8143 3.8143 5.0678 5.0678 5.7819 5.7819 6.3755 6.3755 6.4350 6.4350 6.9206 6.9206 6.9434 6.9434 7.7914 7.7914 7.9491 7.9491 8.1452 8.1452 8.2681 8.2681 8.5590 8.5590 8.7097 8.7097 9.1972 9.1972 9.8031 9.8031 11.3481 11.3481 13.1896 13.1896 13.4540 13.4540 14.7110 14.7110 k = 0.4599 0.4057-0.3433 ( 2694 PWs) bands (ev): -2.8409 -2.8409 -2.0398 -2.0398 -1.1218 -1.1218 1.4733 1.4733 3.6904 3.6904 3.7791 3.7791 5.0808 5.0808 5.7978 5.7978 6.3842 6.3842 6.4641 6.4641 6.8788 6.8788 6.9389 6.9389 7.7913 7.7913 7.9498 7.9498 8.1442 8.1442 8.2666 8.2666 8.5649 8.5649 8.7187 8.7187 9.2042 9.2042 9.7987 9.7987 11.3880 11.3880 13.0857 13.0857 13.5306 13.5306 14.7606 14.7606 k = 0.4685 0.4134-0.3498 ( 2694 PWs) bands (ev): -2.8477 -2.8477 -1.9571 -1.9571 -1.2019 -1.2019 1.4705 1.4705 3.6820 3.6820 3.7503 3.7503 5.0922 5.0922 5.8115 5.8115 6.3898 6.3898 6.4956 6.4956 6.8357 6.8357 6.9365 6.9365 7.7912 7.7912 7.9504 7.9504 8.1432 8.1432 8.2654 8.2654 8.5697 8.5697 8.7262 8.7262 9.2103 9.2103 9.7951 9.7951 11.4266 11.4266 12.9934 12.9934 13.5972 13.5972 14.8020 14.8020 k = 0.4772 0.4210-0.3562 ( 2694 PWs) bands (ev): -2.8531 -2.8531 -1.8781 -1.8781 -1.2788 -1.2788 1.4682 1.4682 3.6758 3.6758 3.7280 3.7280 5.1017 5.1017 5.8231 5.8231 6.3931 6.3931 6.5291 6.5291 6.7921 6.7921 6.9353 6.9353 7.7911 7.7911 7.9509 7.9509 8.1425 8.1425 8.2646 8.2646 8.5734 8.5734 8.7321 8.7321 9.2154 9.2154 9.7924 9.7924 11.4616 11.4616 12.9161 12.9161 13.6506 13.6506 14.8035 14.8035 k = 0.4859 0.4287-0.3627 ( 2696 PWs) bands (ev): -2.8571 -2.8571 -1.8067 -1.8067 -1.3487 -1.3487 1.4665 1.4665 3.6717 3.6717 3.7123 3.7123 5.1092 5.1092 5.8325 5.8325 6.3947 6.3947 6.5646 6.5646 6.7485 6.7485 6.9348 6.9348 7.7911 7.7911 7.9511 7.9511 8.1419 8.1419 8.2640 8.2640 8.5760 8.5760 8.7363 8.7363 9.2191 9.2191 9.7905 9.7905 11.4898 11.4898 12.8575 12.8575 13.6880 13.6880 14.7944 14.7944 k = 0.4946 0.4364-0.3692 ( 2692 PWs) bands (ev): -2.8596 -2.8596 -1.7524 -1.7524 -1.4021 -1.4021 1.4653 1.4653 3.6700 3.6700 3.7032 3.7032 5.1144 5.1144 5.8397 5.8397 6.3952 6.3952 6.6017 6.6017 6.7051 6.7051 6.9346 6.9346 7.7911 7.7911 7.9512 7.9512 8.1415 8.1415 8.2637 8.2637 8.5775 8.5775 8.7387 8.7387 9.2212 9.2212 9.7895 9.7895 11.5083 11.5083 12.8210 12.8210 13.7066 13.7066 14.7921 14.7921 k = 0.4946 0.4364-0.3692 ( 2692 PWs) bands (ev): -2.8596 -2.8596 -1.7524 -1.7524 -1.4021 -1.4021 1.4653 1.4653 3.6700 3.6700 3.7032 3.7032 5.1144 5.1144 5.8397 5.8397 6.3952 6.3952 6.6017 6.6017 6.7051 6.7051 6.9346 6.9346 7.7911 7.7911 7.9512 7.9512 8.1415 8.1415 8.2637 8.2637 8.5775 8.5775 8.7387 8.7387 9.2212 9.2212 9.7895 9.7895 11.5083 11.5083 12.8210 12.8210 13.7066 13.7066 14.7921 14.7921 k = 0.4991 0.4404-0.3585 ( 2692 PWs) bands (ev): -2.8598 -2.8598 -1.7554 -1.7554 -1.3964 -1.3964 1.4634 1.4634 3.6672 3.6672 3.7046 3.7046 5.1145 5.1145 5.8078 5.8078 6.3988 6.3988 6.5766 6.5766 6.7625 6.7625 6.9357 6.9357 7.7914 7.7914 7.9520 7.9520 8.1423 8.1423 8.2647 8.2647 8.5774 8.5774 8.7387 8.7387 9.2212 9.2212 9.7880 9.7880 11.5017 11.5017 12.8290 12.8290 13.7005 13.7005 14.7859 14.7859 k = 0.5037 0.4444-0.3478 ( 2692 PWs) bands (ev): -2.8617 -2.8617 -1.7571 -1.7571 -1.3892 -1.3892 1.4586 1.4586 3.6642 3.6642 3.7072 3.7072 5.1193 5.1193 5.7549 5.7549 6.4051 6.4051 6.5619 6.5619 6.8319 6.8319 6.9376 6.9376 7.7919 7.7919 7.9533 7.9533 8.1435 8.1435 8.2669 8.2669 8.5774 8.5774 8.7389 8.7389 9.2209 9.2209 9.7850 9.7850 11.4922 11.4922 12.8391 12.8391 13.6688 13.6688 14.7929 14.7929 k = 0.5083 0.4484-0.3371 ( 2688 PWs) bands (ev): -2.8654 -2.8654 -1.7574 -1.7574 -1.3804 -1.3804 1.4510 1.4510 3.6606 3.6606 3.7108 3.7108 5.1293 5.1293 5.6868 5.6868 6.4138 6.4138 6.5544 6.5544 6.9108 6.9108 6.9404 6.9404 7.7929 7.7929 7.9552 7.9552 8.1449 8.1449 8.2702 8.2702 8.5775 8.5775 8.7393 8.7393 9.2202 9.2202 9.7805 9.7805 11.4801 11.4801 12.8510 12.8510 13.6142 13.6142 14.8100 14.8100 k = 0.5128 0.4524-0.3264 ( 2693 PWs) bands (ev): -2.8707 -2.8707 -1.7564 -1.7564 -1.3701 -1.3701 1.4408 1.4408 3.6562 3.6562 3.7155 3.7155 5.1450 5.1450 5.6086 5.6086 6.4245 6.4245 6.5512 6.5512 6.9439 6.9439 6.9965 6.9965 7.7941 7.7941 7.9576 7.9576 8.1466 8.1466 8.2748 8.2748 8.5775 8.5775 8.7398 8.7398 9.2191 9.2191 9.7744 9.7744 11.4661 11.4661 12.8642 12.8642 13.5408 13.5408 14.8321 14.8321 k = 0.5174 0.4565-0.3157 ( 2697 PWs) bands (ev): -2.8778 -2.8778 -1.7542 -1.7542 -1.3582 -1.3582 1.4283 1.4283 3.6502 3.6502 3.7212 3.7212 5.1668 5.1668 5.5241 5.5241 6.4366 6.4366 6.5509 6.5509 6.9483 6.9483 7.0866 7.0866 7.7958 7.7958 7.9606 7.9606 8.1485 8.1485 8.2808 8.2808 8.5776 8.5776 8.7403 8.7403 9.2176 9.2176 9.7668 9.7668 11.4507 11.4507 12.8783 12.8783 13.4531 13.4531 14.8530 14.8530 k = 0.5219 0.4605-0.3050 ( 2701 PWs) bands (ev): -2.8865 -2.8865 -1.7508 -1.7508 -1.3446 -1.3446 1.4140 1.4140 3.6423 3.6423 3.7280 3.7280 5.1951 5.1951 5.4359 5.4359 6.4498 6.4498 6.5527 6.5527 6.9536 6.9536 7.1788 7.1788 7.7980 7.7980 7.9643 7.9643 8.1507 8.1507 8.2883 8.2883 8.5777 8.5777 8.7411 8.7411 9.2157 9.2157 9.7573 9.7573 11.4344 11.4344 12.8928 12.8928 13.3549 13.3549 14.8649 14.8649 k = 0.5219 0.4605-0.3050 ( 2701 PWs) bands (ev): -2.8865 -2.8865 -1.7508 -1.7508 -1.3446 -1.3446 1.4140 1.4140 3.6423 3.6423 3.7280 3.7280 5.1951 5.1951 5.4359 5.4359 6.4498 6.4498 6.5527 6.5527 6.9536 6.9536 7.1788 7.1788 7.7980 7.7980 7.9643 7.9643 8.1507 8.1507 8.2883 8.2883 8.5777 8.5777 8.7411 8.7411 9.2157 9.2157 9.7573 9.7573 11.4344 11.4344 12.8928 12.8928 13.3549 13.3549 14.8649 14.8649 k = 0.5211 0.4598-0.2917 ( 2703 PWs) bands (ev): -2.8882 -2.8882 -1.7852 -1.7852 -1.2929 -1.2929 1.4035 1.4035 3.6211 3.6211 3.7413 3.7413 5.2087 5.2087 5.3314 5.3314 6.4619 6.4619 6.5468 6.5468 6.9609 6.9609 7.2891 7.2891 7.8005 7.8005 7.9689 7.9689 8.1566 8.1566 8.2960 8.2960 8.5767 8.5767 8.7404 8.7404 9.2131 9.2131 9.7471 9.7471 11.4023 11.4023 12.9423 12.9423 13.2982 13.2982 14.8315 14.8315 k = 0.5203 0.4591-0.2784 ( 2707 PWs) bands (ev): -2.8891 -2.8891 -1.8242 -1.8242 -1.2345 -1.2345 1.3925 1.3925 3.5952 3.5952 3.7580 3.7580 5.2128 5.2128 5.2377 5.2377 6.4716 6.4716 6.5433 6.5433 6.9691 6.9691 7.3964 7.3964 7.8043 7.8043 7.9740 7.9740 8.1637 8.1637 8.3049 8.3049 8.5752 8.5752 8.7394 8.7394 9.2093 9.2093 9.7355 9.7355 11.3700 11.3700 12.9995 12.9995 13.2363 13.2363 14.7963 14.7963 k = 0.5195 0.4583-0.2651 ( 2712 PWs) bands (ev): -2.8892 -2.8892 -1.8653 -1.8653 -1.1720 -1.1720 1.3811 1.3811 3.5648 3.5648 3.7780 3.7780 5.1134 5.1134 5.2510 5.2510 6.4781 6.4781 6.5413 6.5413 6.9781 6.9781 7.4984 7.4984 7.8105 7.8105 7.9798 7.9798 8.1720 8.1720 8.3151 8.3151 8.5734 8.5734 8.7380 8.7380 9.2040 9.2040 9.7226 9.7226 11.3403 11.3403 13.0620 13.0620 13.1698 13.1698 14.7630 14.7630 k = 0.5187 0.4576-0.2518 ( 2712 PWs) bands (ev): -2.8887 -2.8887 -1.9073 -1.9073 -1.1065 -1.1065 1.3692 1.3692 3.5301 3.5301 3.8010 3.8010 5.0058 5.0058 5.2777 5.2777 6.4806 6.4806 6.5406 6.5406 6.9875 6.9875 7.5908 7.5908 7.8219 7.8219 7.9863 7.9863 8.1818 8.1818 8.3267 8.3267 8.5713 8.5713 8.7363 8.7363 9.1971 9.1971 9.7083 9.7083 11.3153 11.3153 13.0985 13.0985 13.1299 13.1299 14.7338 14.7339 k = 0.5179 0.4569-0.2385 ( 2702 PWs) bands (ev): -2.8873 -2.8873 -1.9495 -1.9495 -1.0390 -1.0390 1.3568 1.3568 3.4915 3.4915 3.8270 3.8270 4.8987 4.8987 5.3099 5.3099 6.4787 6.4787 6.5406 6.5406 6.9971 6.9971 7.6660 7.6660 7.8448 7.8448 7.9934 7.9934 8.1930 8.1930 8.3400 8.3400 8.5690 8.5690 8.7345 8.7345 9.1883 9.1883 9.6925 9.6925 11.2968 11.2968 13.0273 13.0273 13.1981 13.1981 14.7102 14.7102 k = 0.5171 0.4562-0.2252 ( 2700 PWs) bands (ev): -2.8852 -2.8852 -1.9914 -1.9914 -0.9697 -0.9697 1.3438 1.3438 3.4495 3.4495 3.8555 3.8555 4.7933 4.7933 5.3477 5.3477 6.4720 6.4720 6.5410 6.5410 7.0064 7.0064 7.7144 7.7144 7.8870 7.8870 8.0016 8.0016 8.2056 8.2056 8.3548 8.3548 8.5665 8.5665 8.7326 8.7326 9.1774 9.1774 9.6751 9.6751 11.2863 11.2863 12.9551 12.9551 13.2684 13.2684 14.6921 14.6921 k = 0.5162 0.4555-0.2119 ( 2700 PWs) bands (ev): -2.8824 -2.8824 -2.0328 -2.0328 -0.8991 -0.8991 1.3302 1.3302 3.4048 3.4048 3.8859 3.8859 4.6904 4.6904 5.3908 5.3908 6.4603 6.4603 6.5417 6.5417 7.0151 7.0151 7.7380 7.7380 7.9434 7.9434 8.0124 8.0124 8.2196 8.2196 8.3714 8.3714 8.5640 8.5640 8.7307 8.7307 9.1646 9.1646 9.6559 9.6559 11.2847 11.2847 12.8844 12.8844 13.3394 13.3394 14.6792 14.6792 k = 0.5154 0.4548-0.1986 ( 2696 PWs) bands (ev): -2.8788 -2.8788 -2.0734 -2.0734 -0.8274 -0.8274 1.3158 1.3158 3.3582 3.3582 3.9174 3.9174 4.5915 4.5915 5.4389 5.4389 6.4433 6.4433 6.5428 6.5428 7.0232 7.0232 7.7481 7.7481 7.9917 7.9917 8.0354 8.0354 8.2352 8.2352 8.3901 8.3901 8.5616 8.5616 8.7289 8.7289 9.1498 9.1498 9.6348 9.6348 11.2929 11.2929 12.8173 12.8173 13.4103 13.4103 14.6702 14.6702 k = 0.5146 0.4540-0.1853 ( 2695 PWs) bands (ev): -2.8744 -2.8744 -2.1133 -2.1133 -0.7546 -0.7546 1.3005 1.3005 3.3106 3.3106 3.9481 3.9481 4.4985 4.4985 5.4916 5.4916 6.4207 6.4207 6.5441 6.5441 7.0304 7.0304 7.7518 7.7518 8.0124 8.0124 8.0816 8.0816 8.2523 8.2523 8.4106 8.4106 8.5598 8.5598 8.7272 8.7272 9.1332 9.1332 9.6115 9.6115 11.3110 11.3110 12.7555 12.7555 13.4807 13.4807 14.6638 14.6638 k = 0.5138 0.4533-0.1719 ( 2695 PWs) bands (ev): -2.8693 -2.8693 -2.1523 -2.1523 -0.6810 -0.6810 1.2839 1.2839 3.2627 3.2627 3.9743 3.9743 4.4153 4.4153 5.5485 5.5485 6.3925 6.3925 6.5456 6.5456 7.0369 7.0369 7.7520 7.7520 8.0236 8.0236 8.1294 8.1294 8.2708 8.2708 8.4323 8.4323 8.5590 8.5590 8.7257 8.7257 9.1152 9.1152 9.5856 9.5856 11.3392 11.3392 12.7006 12.7006 13.5501 13.5501 14.6581 14.6581 k = 0.5130 0.4526-0.1586 ( 2695 PWs) bands (ev): -2.8634 -2.8634 -2.1903 -2.1903 -0.6067 -0.6067 1.2659 1.2659 3.2154 3.2154 3.9887 3.9887 4.3494 4.3494 5.6088 5.6088 6.3589 6.3589 6.5474 6.5474 7.0429 7.0429 7.7499 7.7499 8.0332 8.0332 8.1699 8.1699 8.2903 8.2903 8.4534 8.4534 8.5601 8.5601 8.7246 8.7246 9.0961 9.0961 9.5570 9.5570 11.3772 11.3772 12.6541 12.6541 13.6183 13.6183 14.6509 14.6509 k = 0.5122 0.4519-0.1453 ( 2703 PWs) bands (ev): -2.8567 -2.8567 -2.2273 -2.2273 -0.5318 -0.5318 1.2461 1.2461 3.1696 3.1696 3.9795 3.9795 4.3126 4.3126 5.6720 5.6720 6.3199 6.3199 6.5491 6.5491 7.0486 7.0486 7.7459 7.7459 8.0425 8.0425 8.2026 8.2026 8.3101 8.3101 8.4715 8.4715 8.5644 8.5644 8.7236 8.7236 9.0764 9.0764 9.5255 9.5255 11.4244 11.4244 12.6170 12.6170 13.6850 13.6850 14.6402 14.6402 k = 0.5114 0.4512-0.1320 ( 2701 PWs) bands (ev): -2.8492 -2.8492 -2.2633 -2.2633 -0.4563 -0.4563 1.2243 1.2243 3.1262 3.1262 3.9405 3.9405 4.3112 4.3112 5.7371 5.7371 6.2760 6.2760 6.5510 6.5510 7.0546 7.0546 7.7403 7.7403 8.0521 8.0521 8.2291 8.2291 8.3295 8.3295 8.4839 8.4839 8.5728 8.5728 8.7228 8.7228 9.0565 9.0565 9.4909 9.4909 11.4803 11.4803 12.5900 12.5900 13.7500 13.7500 14.6243 14.6243 k = 0.5106 0.4505-0.1187 ( 2697 PWs) bands (ev): -2.8409 -2.8409 -2.2982 -2.2982 -0.3805 -0.3805 1.2001 1.2001 3.0859 3.0859 3.8796 3.8796 4.3377 4.3377 5.8030 5.8030 6.2279 6.2279 6.5527 6.5527 7.0611 7.0611 7.7328 7.7328 8.0619 8.0619 8.2512 8.2512 8.3478 8.3478 8.4900 8.4900 8.5843 8.5843 8.7221 8.7221 9.0369 9.0369 9.4536 9.4536 11.5440 11.5440 12.5733 12.5733 13.8130 13.8130 14.6024 14.6024 k = 0.5097 0.4497-0.1054 ( 2693 PWs) bands (ev): -2.8317 -2.8317 -2.3321 -2.3321 -0.3043 -0.3043 1.1731 1.1731 3.0495 3.0495 3.8079 3.8079 4.3807 4.3807 5.8677 5.8677 6.1769 6.1769 6.5543 6.5543 7.0687 7.0687 7.7235 7.7235 8.0723 8.0723 8.2702 8.2702 8.3648 8.3648 8.4913 8.4913 8.5960 8.5960 8.7212 8.7212 9.0182 9.0182 9.4137 9.4137 11.6145 11.6145 12.5664 12.5664 13.8737 13.8737 14.5745 14.5745 k = 0.5089 0.4490-0.0921 ( 2691 PWs) bands (ev): -2.8218 -2.8218 -2.3648 -2.3648 -0.2279 -0.2279 1.1431 1.1431 3.0176 3.0176 3.7322 3.7322 4.4335 4.4335 5.9262 5.9262 6.1278 6.1278 6.5556 6.5556 7.0779 7.0779 7.7121 7.7121 8.0833 8.0833 8.2868 8.2868 8.3803 8.3803 8.4894 8.4894 8.6055 8.6055 8.7199 8.7199 9.0009 9.0009 9.3716 9.3716 11.6909 11.6909 12.5685 12.5685 13.9318 13.9318 14.5414 14.5414 k = 0.5081 0.4483-0.0788 ( 2691 PWs) bands (ev): -2.8110 -2.8110 -2.3965 -2.3965 -0.1514 -0.1514 1.1098 1.1098 2.9908 2.9908 3.6560 3.6560 4.4927 4.4927 5.9594 5.9594 6.0988 6.0988 6.5564 6.5564 7.0892 7.0892 7.6986 7.6986 8.0949 8.0949 8.3017 8.3017 8.3943 8.3943 8.4856 8.4856 8.6116 8.6116 8.7178 8.7178 8.9854 8.9854 9.3283 9.3283 11.7721 11.7721 12.5782 12.5782 13.9869 13.9869 14.5044 14.5044 k = 0.5073 0.4476-0.0655 ( 2689 PWs) bands (ev): -2.7994 -2.7994 -2.4271 -2.4271 -0.0750 -0.0750 1.0729 1.0729 2.9696 2.9696 3.5810 3.5810 4.5567 4.5567 5.9356 5.9356 6.1214 6.1214 6.5567 6.5567 7.1034 7.1034 7.6825 7.6825 8.1074 8.1074 8.3151 8.3151 8.4067 8.4067 8.4804 8.4804 8.6137 8.6137 8.7144 8.7144 8.9724 8.9724 9.2848 9.2848 11.8570 11.8570 12.5936 12.5936 14.0384 14.0384 14.4651 14.4651 k = 0.5065 0.4469-0.0522 ( 2683 PWs) bands (ev): -2.7869 -2.7869 -2.4566 -2.4566 0.0012 0.0012 1.0324 1.0324 2.9544 2.9544 3.5082 3.5082 4.6245 4.6245 5.8774 5.8774 6.1723 6.1723 6.5563 6.5563 7.1208 7.1208 7.6638 7.6638 8.1209 8.1209 8.3269 8.3269 8.4171 8.4171 8.4743 8.4743 8.6123 8.6123 8.7097 8.7097 8.9623 8.9623 9.2419 9.2419 11.9444 11.9444 12.6125 12.6125 14.0856 14.0856 14.4250 14.4250 k = 0.5057 0.4462-0.0389 ( 2675 PWs) bands (ev): -2.7735 -2.7735 -2.4850 -2.4850 0.0772 0.0772 0.9882 0.9882 2.9456 2.9456 3.4383 3.4383 4.6953 4.6953 5.8079 5.8079 6.2277 6.2277 6.5550 6.5550 7.1422 7.1422 7.6420 7.6420 8.1355 8.1355 8.3370 8.3370 8.4249 8.4249 8.4677 8.4677 8.6086 8.6086 8.7034 8.7034 8.9554 8.9554 9.2008 9.2008 12.0330 12.0330 12.6319 12.6319 14.1278 14.1278 14.3859 14.3859 k = 0.5049 0.4454-0.0256 ( 2672 PWs) bands (ev): -2.7592 -2.7592 -2.5123 -2.5123 0.1526 0.1526 0.9402 0.9402 2.9431 2.9431 3.3718 3.3718 4.7689 4.7689 5.7334 5.7334 6.2813 6.2813 6.5526 6.5526 7.1678 7.1678 7.6170 7.6170 8.1513 8.1513 8.3447 8.3447 8.4287 8.4287 8.4615 8.4615 8.6042 8.6042 8.6954 8.6954 8.9518 8.9518 9.1621 9.1621 12.1216 12.1216 12.6492 12.6492 14.1640 14.1640 14.3497 14.3497 k = 0.5041 0.4447-0.0123 ( 2674 PWs) bands (ev): -2.7440 -2.7440 -2.5385 -2.5385 0.2274 0.2274 0.8887 0.8887 2.9471 2.9471 3.3089 3.3089 4.8446 4.8446 5.6556 5.6556 6.3305 6.3305 6.5486 6.5486 7.1978 7.1978 7.5884 7.5884 8.1685 8.1685 8.3487 8.3487 8.4279 8.4279 8.4569 8.4569 8.6008 8.6008 8.6859 8.6859 8.9518 8.9518 9.1266 9.1266 12.2088 12.2088 12.6611 12.6611 14.1935 14.1935 14.3179 14.3179 k = 0.5032 0.4440 0.0011 ( 2672 PWs) bands (ev): -2.7279 -2.7279 -2.5637 -2.5637 0.3014 0.3014 0.8337 0.8337 2.9576 2.9576 3.2500 3.2500 4.9224 4.9224 5.5757 5.5757 6.3745 6.3745 6.5429 6.5429 7.2321 7.2321 7.5563 7.5563 8.1873 8.1873 8.3469 8.3469 8.4248 8.4248 8.4536 8.4536 8.6002 8.6002 8.6753 8.6753 8.9553 8.9553 9.0945 9.0945 12.2930 12.2930 12.6651 12.6651 14.2159 14.2159 14.2919 14.2919 k = 0.5024 0.4433 0.0144 ( 2672 PWs) bands (ev): -2.7108 -2.7108 -2.5878 -2.5878 0.3743 0.3743 0.7755 0.7755 2.9743 2.9743 3.1955 3.1955 5.0017 5.0017 5.4944 5.4944 6.4126 6.4126 6.5351 6.5351 7.2703 7.2703 7.5207 7.5207 8.2075 8.2075 8.3374 8.3374 8.4233 8.4233 8.4500 8.4500 8.6030 8.6030 8.6637 8.6637 8.9620 8.9620 9.0660 9.0660 12.3725 12.3725 12.6586 12.6586 14.2312 14.2312 14.2725 14.2725 k = 0.5016 0.4426 0.0277 ( 2668 PWs) bands (ev): -2.6928 -2.6928 -2.6108 -2.6108 0.4459 0.4459 0.7143 0.7143 2.9972 2.9972 3.1455 3.1455 5.0825 5.0825 5.4121 5.4121 6.4450 6.4450 6.5246 6.5246 7.3113 7.3113 7.4820 7.4820 8.2293 8.2293 8.3206 8.3206 8.4252 8.4252 8.4456 8.4456 8.6091 8.6091 8.6518 8.6518 8.9719 8.9719 9.0409 9.0409 12.4456 12.4456 12.6402 12.6402 14.2403 14.2403 14.2596 14.2596 k = 0.5008 0.4419 0.0410 ( 2660 PWs) bands (ev): -2.6738 -2.6738 -2.6328 -2.6328 0.5160 0.5160 0.6505 0.6505 3.0261 3.0261 3.1005 3.1005 5.1642 5.1642 5.3294 5.3294 6.4718 6.4718 6.5110 6.5110 7.3543 7.3543 7.4408 7.4408 8.2523 8.2523 8.2993 8.2993 8.4294 8.4294 8.4404 8.4404 8.6178 8.6178 8.6398 8.6398 8.9847 8.9847 9.0192 9.0192 12.5105 12.5105 12.6091 12.6091 14.2452 14.2452 14.2522 14.2522 k = 0.5000 0.4411 0.0543 ( 2660 PWs) bands (ev): -2.6538 -2.6538 -2.6538 -2.6538 0.5843 0.5843 0.5843 0.5843 3.0605 3.0605 3.0606 3.0606 5.2466 5.2466 5.2467 5.2467 6.4935 6.4935 6.4937 6.4937 7.3976 7.3976 7.3980 7.3980 8.2758 8.2758 8.2762 8.2762 8.4345 8.4345 8.4350 8.4350 8.6280 8.6280 8.6285 8.6285 9.0002 9.0002 9.0007 9.0007 12.5654 12.5654 12.5656 12.5656 14.2482 14.2482 14.2483 14.2483 k = 0.5000 0.4411 0.0543 ( 2660 PWs) bands (ev): -2.6538 -2.6538 -2.6538 -2.6538 0.5843 0.5843 0.5843 0.5843 3.0605 3.0605 3.0606 3.0606 5.2466 5.2466 5.2467 5.2467 6.4935 6.4935 6.4937 6.4937 7.3976 7.3976 7.3980 7.3980 8.2758 8.2758 8.2762 8.2762 8.4345 8.4345 8.4350 8.4350 8.6280 8.6280 8.6285 8.6285 9.0002 9.0002 9.0007 9.0007 12.5654 12.5654 12.5656 12.5656 14.2482 14.2482 14.2483 14.2483 k = 0.5085 0.4315 0.0543 ( 2662 PWs) bands (ev): -2.6541 -2.6541 -2.6540 -2.6540 0.5824 0.5824 0.5826 0.5826 3.0635 3.0635 3.0635 3.0635 5.2474 5.2474 5.2477 5.2477 6.4940 6.4940 6.4949 6.4949 7.3979 7.3979 7.4004 7.4004 8.2731 8.2731 8.2756 8.2756 8.4349 8.4349 8.4358 8.4358 8.6274 8.6274 8.6289 8.6289 9.0000 9.0000 9.0009 9.0009 12.5599 12.5599 12.5604 12.5604 14.2517 14.2517 14.2520 14.2520 k = 0.5170 0.4218 0.0543 ( 2664 PWs) bands (ev): -2.6549 -2.6549 -2.6547 -2.6547 0.5770 0.5770 0.5773 0.5773 3.0723 3.0723 3.0724 3.0724 5.2500 5.2500 5.2505 5.2505 6.4964 6.4964 6.4981 6.4981 7.4009 7.4009 7.4058 7.4058 8.2673 8.2673 8.2720 8.2720 8.4363 8.4363 8.4376 8.4376 8.6265 8.6265 8.6294 8.6294 8.9998 8.9998 9.0011 9.0011 12.5437 12.5437 12.5446 12.5446 14.2621 14.2621 14.2627 14.2627 k = 0.5256 0.4122 0.0543 ( 2674 PWs) bands (ev): -2.6562 -2.6562 -2.6560 -2.6560 0.5683 0.5683 0.5686 0.5686 3.0868 3.0868 3.0869 3.0869 5.2543 5.2543 5.2551 5.2551 6.5006 6.5006 6.5031 6.5031 7.4065 7.4065 7.4139 7.4139 8.2588 8.2588 8.2652 8.2652 8.4388 8.4388 8.4400 8.4400 8.6255 8.6255 8.6298 8.6298 8.9994 8.9994 9.0014 9.0014 12.5175 12.5175 12.5189 12.5189 14.2781 14.2781 14.2790 14.2790 k = 0.5341 0.4025 0.0543 ( 2678 PWs) bands (ev): -2.6580 -2.6580 -2.6577 -2.6577 0.5564 0.5564 0.5568 0.5568 3.1067 3.1067 3.1069 3.1069 5.2604 5.2604 5.2615 5.2615 6.5067 6.5067 6.5100 6.5100 7.4149 7.4149 7.4247 7.4247 8.2478 8.2478 8.2556 8.2556 8.4422 8.4422 8.4429 8.4429 8.6245 8.6245 8.6302 8.6302 8.9992 8.9992 9.0016 9.0016 12.4824 12.4824 12.4842 12.4842 14.2981 14.2981 14.2992 14.2992 k = 0.5426 0.3929 0.0543 ( 2684 PWs) bands (ev): -2.6604 -2.6604 -2.6601 -2.6601 0.5418 0.5418 0.5423 0.5423 3.1317 3.1317 3.1319 3.1319 5.2683 5.2683 5.2696 5.2696 6.5146 6.5146 6.5186 6.5186 7.4260 7.4260 7.4380 7.4380 8.2347 8.2347 8.2433 8.2433 8.4457 8.4457 8.4464 8.4464 8.6234 8.6234 8.6306 8.6306 8.9990 8.9990 9.0018 9.0018 12.4394 12.4394 12.4415 12.4415 14.3196 14.3196 14.3207 14.3207 k = 0.5511 0.3832 0.0543 ( 2684 PWs) bands (ev): -2.6635 -2.6635 -2.6631 -2.6631 0.5249 0.5249 0.5255 0.5255 3.1614 3.1614 3.1617 3.1617 5.2779 5.2779 5.2795 5.2795 6.5243 6.5243 6.5290 6.5290 7.4397 7.4397 7.4539 7.4539 8.2198 8.2198 8.2288 8.2288 8.4486 8.4486 8.4508 8.4508 8.6225 8.6225 8.6310 8.6310 8.9989 8.9989 9.0019 9.0019 12.3896 12.3896 12.3921 12.3921 14.3398 14.3398 14.3408 14.3408 k = 0.5596 0.3735 0.0543 ( 2682 PWs) bands (ev): -2.6672 -2.6672 -2.6668 -2.6668 0.5062 0.5062 0.5069 0.5069 3.1954 3.1954 3.1957 3.1957 5.2891 5.2891 5.2909 5.2909 6.5359 6.5359 6.5412 6.5412 7.4558 7.4558 7.4721 7.4721 8.2032 8.2032 8.2122 8.2122 8.4512 8.4512 8.4555 8.4555 8.6217 8.6217 8.6316 8.6316 8.9989 8.9989 9.0020 9.0020 12.3343 12.3343 12.3369 12.3369 14.3555 14.3555 14.3562 14.3562 k = 0.5682 0.3639 0.0543 ( 2686 PWs) bands (ev): -2.6717 -2.6717 -2.6712 -2.6712 0.4861 0.4861 0.4870 0.4870 3.2330 3.2330 3.2334 3.2334 5.3019 5.3019 5.3040 5.3040 6.5492 6.5492 6.5550 6.5550 7.4741 7.4741 7.4923 7.4923 8.1853 8.1853 8.1939 8.1939 8.4533 8.4533 8.4600 8.4600 8.6212 8.6212 8.6324 8.6324 8.9990 8.9990 9.0020 9.0020 12.2743 12.2743 12.2772 12.2772 14.3637 14.3637 14.3639 14.3639 k = 0.5767 0.3542 0.0543 ( 2690 PWs) bands (ev): -2.6771 -2.6771 -2.6765 -2.6765 0.4653 0.4653 0.4663 0.4663 3.2740 3.2740 3.2744 3.2744 5.3163 5.3163 5.3187 5.3187 6.5643 6.5643 6.5705 6.5705 7.4944 7.4944 7.5144 7.5144 8.1663 8.1663 8.1743 8.1743 8.4549 8.4549 8.4642 8.4642 8.6211 8.6211 8.6334 8.6334 8.9992 8.9992 9.0019 9.0019 12.2107 12.2107 12.2137 12.2137 14.3613 14.3613 14.3620 14.3620 k = 0.5852 0.3446 0.0543 ( 2694 PWs) bands (ev): -2.6833 -2.6833 -2.6826 -2.6826 0.4443 0.4443 0.4453 0.4453 3.3178 3.3178 3.3182 3.3182 5.3321 5.3321 5.3348 5.3348 6.5811 6.5811 6.5876 6.5876 7.5163 7.5163 7.5378 7.5378 8.1467 8.1467 8.1537 8.1537 8.4559 8.4559 8.4680 8.4680 8.6216 8.6216 8.6347 8.6347 8.9995 8.9995 9.0017 9.0017 12.1441 12.1441 12.1473 12.1473 14.3473 14.3473 14.3490 14.3490 k = 0.5937 0.3349 0.0543 ( 2692 PWs) bands (ev): -2.6905 -2.6905 -2.6898 -2.6898 0.4235 0.4235 0.4246 0.4246 3.3639 3.3639 3.3644 3.3644 5.3494 5.3494 5.3523 5.3523 6.5997 6.5997 6.6064 6.6064 7.5393 7.5393 7.5620 7.5620 8.1270 8.1270 8.1327 8.1327 8.4563 8.4563 8.4712 8.4712 8.6227 8.6227 8.6364 8.6364 8.9999 8.9999 9.0014 9.0014 12.0753 12.0753 12.0786 12.0786 14.3217 14.3217 14.3247 14.3247 k = 0.6022 0.3253 0.0543 ( 2692 PWs) bands (ev): -2.6988 -2.6988 -2.6980 -2.6980 0.4034 0.4034 0.4046 0.4046 3.4119 3.4119 3.4125 3.4125 5.3680 5.3680 5.3711 5.3711 6.6198 6.6198 6.6266 6.6266 7.5628 7.5628 7.5862 7.5862 8.1078 8.1078 8.1118 8.1118 8.4560 8.4560 8.4735 8.4735 8.6247 8.6247 8.6385 8.6385 9.0005 9.0005 9.0011 9.0011 12.0049 12.0049 12.0083 12.0083 14.2858 14.2858 14.2902 14.2902 k = 0.6108 0.3156 0.0543 ( 2700 PWs) bands (ev): -2.7082 -2.7082 -2.7073 -2.7073 0.3845 0.3845 0.3858 0.3858 3.4614 3.4614 3.4621 3.4621 5.3877 5.3877 5.3911 5.3911 6.6416 6.6416 6.6483 6.6483 7.5857 7.5857 7.6093 7.6093 8.0901 8.0901 8.0918 8.0918 8.4549 8.4549 8.4750 8.4750 8.6275 8.6275 8.6410 8.6410 9.0004 9.0004 9.0013 9.0013 11.9333 11.9333 11.9368 11.9368 14.2415 14.2415 14.2472 14.2472 k = 0.6193 0.3059 0.0543 ( 2704 PWs) bands (ev): -2.7187 -2.7187 -2.7179 -2.7179 0.3673 0.3673 0.3686 0.3686 3.5120 3.5120 3.5128 3.5128 5.4086 5.4086 5.4123 5.4123 6.6649 6.6649 6.6714 6.6714 7.6068 7.6068 7.6298 7.6298 8.0739 8.0739 8.0751 8.0751 8.4531 8.4531 8.4754 8.4754 8.6313 8.6313 8.6439 8.6439 8.9998 8.9998 9.0023 9.0023 11.8611 11.8611 11.8647 11.8647 14.1906 14.1906 14.1975 14.1975 k = 0.6278 0.2963 0.0543 ( 2704 PWs) bands (ev): -2.7306 -2.7306 -2.7297 -2.7297 0.3521 0.3521 0.3535 0.3535 3.5635 3.5635 3.5644 3.5644 5.4306 5.4306 5.4345 5.4345 6.6897 6.6897 6.6959 6.6959 7.6247 7.6247 7.6460 7.6460 8.0595 8.0595 8.0645 8.0645 8.4505 8.4505 8.4748 8.4748 8.6361 8.6361 8.6473 8.6473 8.9991 8.9991 9.0035 9.0035 11.7887 11.7887 11.7925 11.7925 14.1348 14.1348 14.1430 14.1430 k = 0.6363 0.2866 0.0543 ( 2706 PWs) bands (ev): -2.7438 -2.7438 -2.7428 -2.7428 0.3393 0.3393 0.3407 0.3407 3.6155 3.6155 3.6165 3.6165 5.4534 5.4534 5.4576 5.4576 6.7159 6.7159 6.7216 6.7216 7.6373 7.6373 7.6561 7.6561 8.0503 8.0503 8.0598 8.0598 8.4472 8.4472 8.4732 8.4732 8.6417 8.6417 8.6509 8.6509 8.9983 8.9983 9.0049 9.0049 11.7166 11.7166 11.7205 11.7205 14.0755 14.0755 14.0849 14.0849 k = 0.3637-0.4122 0.4334 ( 2706 PWs) bands (ev): -2.7438 -2.7438 -2.7428 -2.7428 0.3393 0.3393 0.3407 0.3407 3.6155 3.6155 3.6165 3.6165 5.4534 5.4534 5.4576 5.4576 6.7159 6.7159 6.7216 6.7216 7.6373 7.6373 7.6561 7.6561 8.0503 8.0503 8.0598 8.0598 8.4472 8.4472 8.4732 8.4732 8.6417 8.6417 8.6509 8.6509 8.9983 8.9983 9.0049 9.0049 11.7166 11.7166 11.7205 11.7205 14.0755 14.0755 14.0849 14.0849 k = 0.3548-0.4022 0.4334 ( 2702 PWs) bands (ev): -2.7589 -2.7589 -2.7579 -2.7579 0.3287 0.3287 0.3302 0.3302 3.6699 3.6699 3.6710 3.6710 5.4781 5.4781 5.4825 5.4825 6.7446 6.7446 6.7497 6.7497 7.6431 7.6431 7.6584 7.6584 8.0476 8.0476 8.0625 8.0625 8.4431 8.4431 8.4705 8.4705 8.6482 8.6482 8.6550 8.6550 8.9976 8.9976 9.0068 9.0068 11.6423 11.6423 11.6464 11.6464 14.0110 14.0110 14.0216 14.0216 k = 0.3459-0.3921 0.4334 ( 2702 PWs) bands (ev): -2.7755 -2.7755 -2.7745 -2.7745 0.3214 0.3214 0.3230 0.3230 3.7243 3.7243 3.7256 3.7256 5.5035 5.5035 5.5082 5.5082 6.7746 6.7746 6.7790 6.7790 7.6402 7.6402 7.6515 7.6515 8.0529 8.0529 8.0733 8.0733 8.4383 8.4383 8.4669 8.4669 8.6551 8.6551 8.6593 8.6593 8.9971 8.9971 9.0091 9.0091 11.5694 11.5694 11.5737 11.5737 13.9447 13.9447 13.9564 13.9564 k = 0.3371-0.3820 0.4334 ( 2702 PWs) bands (ev): -2.7937 -2.7937 -2.7926 -2.7926 0.3175 0.3175 0.3191 0.3191 3.7786 3.7786 3.7800 3.7800 5.5296 5.5296 5.5344 5.5344 6.8057 6.8057 6.8092 6.8092 7.6285 7.6285 7.6363 7.6363 8.0658 8.0658 8.0910 8.0910 8.4329 8.4329 8.4623 8.4623 8.6621 8.6621 8.6635 8.6635 8.9971 8.9971 9.0120 9.0120 11.4984 11.4984 11.5029 11.5029 13.8771 13.8771 13.8899 13.8899 k = 0.3282-0.3720 0.4334 ( 2712 PWs) bands (ev): -2.8133 -2.8133 -2.8122 -2.8122 0.3173 0.3173 0.3190 0.3190 3.8325 3.8325 3.8340 3.8340 5.5561 5.5561 5.5612 5.5612 6.8377 6.8377 6.8402 6.8402 7.6092 7.6092 7.6139 7.6139 8.0847 8.0847 8.1136 8.1136 8.4268 8.4268 8.4568 8.4568 8.6672 8.6672 8.6685 8.6685 8.9978 8.9978 9.0157 9.0157 11.4299 11.4299 11.4348 11.4348 13.8088 13.8088 13.8226 13.8226 k = 0.3193-0.3619 0.4334 ( 2710 PWs) bands (ev): -2.8344 -2.8344 -2.8333 -2.8333 0.3209 0.3209 0.3226 0.3226 3.8859 3.8859 3.8876 3.8876 5.5830 5.5830 5.5883 5.5883 6.8705 6.8705 6.8718 6.8718 7.5842 7.5842 7.5865 7.5865 8.1077 8.1077 8.1389 8.1389 8.4205 8.4205 8.4506 8.4506 8.6705 8.6705 8.6739 8.6739 8.9997 8.9997 9.0202 9.0202 11.3647 11.3647 11.3699 11.3699 13.7400 13.7400 13.7547 13.7547 k = 0.3105-0.3519 0.4334 ( 2712 PWs) bands (ev): -2.8568 -2.8568 -2.8557 -2.8557 0.3284 0.3284 0.3301 0.3301 3.9386 3.9386 3.9405 3.9405 5.6101 5.6101 5.6156 5.6156 6.9033 6.9033 6.9035 6.9035 7.5550 7.5550 7.5556 7.5556 8.1324 8.1324 8.1646 8.1646 8.4140 8.4140 8.4436 8.4436 8.6727 8.6727 8.6776 8.6776 9.0032 9.0032 9.0258 9.0258 11.3034 11.3034 11.3091 11.3091 13.6712 13.6712 13.6867 13.6867 k = 0.3016-0.3418 0.4334 ( 2706 PWs) bands (ev): -2.8806 -2.8806 -2.8795 -2.8795 0.3398 0.3398 0.3416 0.3416 3.9906 3.9906 3.9927 3.9927 5.6373 5.6373 5.6430 5.6430 6.9346 6.9346 6.9360 6.9360 7.5227 7.5227 7.5239 7.5239 8.1573 8.1573 8.1886 8.1886 8.4079 8.4079 8.4360 8.4360 8.6736 8.6736 8.6788 8.6788 9.0086 9.0086 9.0326 9.0326 11.2470 11.2470 11.2531 11.2531 13.6027 13.6027 13.6188 13.6188 k = 0.2927-0.3318 0.4334 ( 2702 PWs) bands (ev): -2.9057 -2.9057 -2.9046 -2.9046 0.3553 0.3553 0.3571 0.3571 4.0418 4.0418 4.0441 4.0441 5.6644 5.6644 5.6704 5.6704 6.9645 6.9645 6.9674 6.9674 7.4898 7.4898 7.4921 7.4921 8.1806 8.1806 8.2088 8.2088 8.4026 8.4026 8.4276 8.4276 8.6725 8.6725 8.6770 8.6770 9.0164 9.0164 9.0408 9.0408 11.1960 11.1960 11.2026 11.2026 13.5348 13.5348 13.5514 13.5514 k = 0.2838-0.3217 0.4334 ( 2702 PWs) bands (ev): -2.9318 -2.9318 -2.9307 -2.9307 0.3748 0.3748 0.3766 0.3766 4.0921 4.0921 4.0946 4.0946 5.6913 5.6913 5.6974 5.6974 6.9918 6.9918 6.9962 6.9962 7.4584 7.4584 7.4618 7.4618 8.2010 8.2010 8.2235 8.2235 8.3990 8.3990 8.4185 8.4185 8.6694 8.6694 8.6719 8.6719 9.0264 9.0264 9.0501 9.0501 11.1513 11.1513 11.1583 11.1583 13.4679 13.4679 13.4848 13.4848 k = 0.2750-0.3117 0.4334 ( 2698 PWs) bands (ev): -2.9590 -2.9590 -2.9579 -2.9579 0.3982 0.3982 0.4000 0.4000 4.1415 4.1415 4.1441 4.1441 5.7178 5.7178 5.7241 5.7241 7.0146 7.0146 7.0205 7.0205 7.4312 7.4312 7.4353 7.4353 8.2175 8.2175 8.2308 8.2308 8.3978 8.3978 8.4086 8.4086 8.6636 8.6636 8.6640 8.6640 9.0385 9.0385 9.0607 9.0607 11.1135 11.1135 11.1209 11.1209 13.4025 13.4025 13.4195 13.4195 k = 0.2661-0.3016 0.4334 ( 2700 PWs) bands (ev): -2.9870 -2.9870 -2.9859 -2.9859 0.4255 0.4255 0.4274 0.4274 4.1898 4.1898 4.1927 4.1927 5.7436 5.7436 5.7502 5.7502 7.0305 7.0305 7.0375 7.0375 7.4110 7.4110 7.4154 7.4154 8.2287 8.2287 8.2300 8.2300 8.3980 8.3980 8.3991 8.3991 8.6530 8.6530 8.6562 8.6562 9.0521 9.0521 9.0719 9.0719 11.0832 11.0832 11.0909 11.0909 13.3390 13.3390 13.3559 13.3559 k = 0.2572-0.2916 0.4334 ( 2700 PWs) bands (ev): -3.0158 -3.0158 -3.0147 -3.0147 0.4567 0.4567 0.4585 0.4585 4.2371 4.2371 4.2402 4.2402 5.7687 5.7687 5.7755 5.7755 7.0368 7.0368 7.0441 7.0441 7.4012 7.4012 7.4050 7.4050 8.2211 8.2211 8.2334 8.2334 8.3871 8.3871 8.4020 8.4020 8.6408 8.6408 8.6465 8.6465 9.0666 9.0666 9.0835 9.0835 11.0606 11.0606 11.0686 11.0686 13.2777 13.2777 13.2944 13.2944 k = 0.2484-0.2815 0.4334 ( 2698 PWs) bands (ev): -3.0451 -3.0451 -3.0441 -3.0441 0.4914 0.4914 0.4933 0.4933 4.2833 4.2833 4.2865 4.2865 5.7927 5.7927 5.7997 5.7997 7.0317 7.0317 7.0386 7.0386 7.4039 7.4039 7.4062 7.4062 8.2049 8.2049 8.2303 8.2303 8.3762 8.3762 8.4054 8.4054 8.6283 8.6283 8.6355 8.6355 9.0811 9.0811 9.0949 9.0949 11.0460 11.0460 11.0541 11.0541 13.2192 13.2192 13.2354 13.2354 k = 0.2395-0.2715 0.4334 ( 2698 PWs) bands (ev): -3.0749 -3.0749 -3.0739 -3.0739 0.5298 0.5298 0.5316 0.5316 4.3283 4.3283 4.3317 4.3317 5.8155 5.8155 5.8227 5.8227 7.0157 7.0157 7.0215 7.0215 7.4182 7.4182 7.4187 7.4187 8.1824 8.1824 8.2182 8.2182 8.3659 8.3659 8.4080 8.4080 8.6167 8.6167 8.6240 8.6240 9.0951 9.0951 9.1057 9.1057 11.0390 11.0390 11.0472 11.0472 13.1637 13.1637 13.1793 13.1793 k = 0.2306-0.2614 0.4334 ( 2698 PWs) bands (ev): -3.1050 -3.1050 -3.1040 -3.1040 0.5715 0.5715 0.5733 0.5733 4.3720 4.3720 4.3757 4.3757 5.8365 5.8365 5.8440 5.8440 6.9909 6.9909 6.9952 6.9952 7.4396 7.4396 7.4426 7.4426 8.1542 8.1542 8.1969 8.1969 8.3566 8.3566 8.4089 8.4089 8.6068 8.6068 8.6126 8.6126 9.1079 9.1079 9.1155 9.1155 11.0394 11.0394 11.0475 11.0475 13.1116 13.1116 13.1264 13.1264 k = 0.2218-0.2513 0.4334 ( 2698 PWs) bands (ev): -3.1352 -3.1352 -3.1342 -3.1342 0.6164 0.6164 0.6182 0.6182 4.4145 4.4145 4.4183 4.4183 5.8557 5.8557 5.8634 5.8634 6.9601 6.9601 6.9630 6.9630 7.4669 7.4669 7.4732 7.4732 8.1213 8.1213 8.1672 8.1672 8.3481 8.3481 8.4076 8.4076 8.5989 8.5989 8.6022 8.6022 9.1192 9.1192 9.1240 9.1240 11.0466 11.0466 11.0545 11.0545 13.0632 13.0632 13.0769 13.0769 k = 0.2129-0.2413 0.4334 ( 2704 PWs) bands (ev): -3.1653 -3.1653 -3.1644 -3.1644 0.6643 0.6643 0.6661 0.6661 4.4555 4.4555 4.4595 4.4595 5.8724 5.8724 5.8804 5.8804 6.9259 6.9259 6.9274 6.9274 7.4977 7.4977 7.5074 7.5074 8.0844 8.0844 8.1309 8.1309 8.3401 8.3401 8.4039 8.4039 8.5930 8.5930 8.5932 8.5932 9.1287 9.1287 9.1311 9.1311 11.0596 11.0596 11.0675 11.0675 13.0186 13.0186 13.0311 13.0311 k = 0.2040-0.2312 0.4334 ( 2704 PWs) bands (ev): -3.1953 -3.1953 -3.1944 -3.1944 0.7150 0.7150 0.7168 0.7168 4.4950 4.4950 4.4991 4.4991 5.8864 5.8864 5.8947 5.8947 6.8900 6.8900 6.8903 6.8903 7.5295 7.5295 7.5431 7.5431 8.0449 8.0449 8.0904 8.0904 8.3323 8.3323 8.3980 8.3980 8.5853 8.5853 8.5890 8.5890 9.1365 9.1365 9.1368 9.1368 11.0777 11.0777 11.0856 11.0856 12.9779 12.9779 12.9891 12.9891 k = 0.1951-0.2212 0.4334 ( 2700 PWs) bands (ev): -3.2250 -3.2250 -3.2242 -3.2242 0.7683 0.7683 0.7701 0.7701 4.5329 4.5329 4.5371 4.5371 5.8971 5.8971 5.9057 5.9057 6.8531 6.8531 6.8540 6.8540 7.5600 7.5600 7.5781 7.5781 8.0046 8.0046 8.0487 8.0487 8.3244 8.3244 8.3903 8.3903 8.5789 8.5789 8.5861 8.5861 9.1412 9.1412 9.1426 9.1426 11.1000 11.1000 11.1078 11.1078 12.9413 12.9413 12.9510 12.9510 k = 0.1863-0.2111 0.4334 ( 2698 PWs) bands (ev): -3.2543 -3.2543 -3.2535 -3.2535 0.8240 0.8240 0.8258 0.8258 4.5689 4.5689 4.5732 4.5732 5.9040 5.9040 5.9131 5.9131 6.8169 6.8169 6.8189 6.8189 7.5864 7.5864 7.6097 7.6097 7.9664 7.9664 8.0093 8.0093 8.3163 8.3163 8.3812 8.3812 8.5733 8.5733 8.5838 8.5838 9.1445 9.1445 9.1471 9.1471 11.1255 11.1255 11.1335 11.1335 12.9086 12.9086 12.9167 12.9167 k = 0.1774-0.2011 0.4334 ( 2698 PWs) bands (ev): -3.2830 -3.2830 -3.2822 -3.2822 0.8817 0.8817 0.8835 0.8835 4.6029 4.6029 4.6072 4.6072 5.9069 5.9069 5.9164 5.9164 6.7826 6.7826 6.7856 6.7856 7.6050 7.6050 7.6338 7.6338 7.9346 7.9346 7.9766 7.9766 8.3081 8.3081 8.3711 8.3711 8.5683 8.5683 8.5818 8.5818 9.1469 9.1469 9.1503 9.1503 11.1534 11.1534 11.1616 11.1616 12.8799 12.8799 12.8862 12.8862 k = 0.1685-0.1910 0.4334 ( 2694 PWs) bands (ev): -3.3110 -3.3110 -3.3102 -3.3102 0.9413 0.9413 0.9431 0.9431 4.6347 4.6347 4.6390 4.6390 5.9053 5.9053 5.9152 5.9152 6.7507 6.7507 6.7547 6.7547 7.6117 7.6117 7.6452 7.6452 7.9150 7.9150 7.9555 7.9555 8.2998 8.2998 8.3604 8.3604 8.5634 8.5634 8.5795 8.5795 9.1488 9.1488 9.1527 9.1527 11.1832 11.1832 11.1917 11.1917 12.8549 12.8549 12.8593 12.8593 k = 0.1597-0.1810 0.4334 ( 2702 PWs) bands (ev): -3.3382 -3.3382 -3.3375 -3.3375 1.0024 1.0024 1.0042 1.0042 4.6640 4.6640 4.6682 4.6682 5.8992 5.8992 5.9096 5.9096 6.7217 6.7217 6.7265 6.7265 7.6042 7.6042 7.6396 7.6396 7.9123 7.9123 7.9491 7.9491 8.2914 8.2914 8.3493 8.3493 8.5582 8.5582 8.5767 8.5767 9.1503 9.1503 9.1545 9.1545 11.2141 11.2141 11.2231 11.2231 12.8335 12.8335 12.8359 12.8359 k = 0.1508-0.1709 0.4334 ( 2708 PWs) bands (ev): -3.3645 -3.3645 -3.3638 -3.3638 1.0647 1.0647 1.0665 1.0665 4.6904 4.6904 4.6945 4.6945 5.8887 5.8887 5.8996 5.8996 6.6956 6.6956 6.7011 6.7011 7.5839 7.5839 7.6191 7.6191 7.9254 7.9254 7.9567 7.9567 8.2832 8.2832 8.3380 8.3380 8.5526 8.5526 8.5730 8.5730 9.1520 9.1520 9.1561 9.1561 11.2458 11.2458 11.2554 11.2554 12.8154 12.8154 12.8159 12.8159 k = 0.1419-0.1609 0.4334 ( 2710 PWs) bands (ev): -3.3898 -3.3898 -3.3891 -3.3891 1.1280 1.1280 1.1297 1.1297 4.7136 4.7136 4.7175 4.7175 5.8743 5.8743 5.8857 5.8857 6.6723 6.6723 6.6783 6.6783 7.5554 7.5554 7.5895 7.5895 7.9485 7.9485 7.9741 7.9741 8.2752 8.2752 8.3267 8.3267 8.5464 8.5464 8.5684 8.5684 9.1541 9.1541 9.1579 9.1579 11.2781 11.2781 11.2882 11.2882 12.7988 12.7988 12.8005 12.8005 k = 0.1331-0.1508 0.4334 ( 2718 PWs) bands (ev): -3.4139 -3.4139 -3.4133 -3.4133 1.1917 1.1917 1.1934 1.1934 4.7332 4.7332 4.7369 4.7369 5.8568 5.8568 5.8686 5.8686 6.6512 6.6512 6.6577 6.6577 7.5234 7.5234 7.5568 7.5568 7.9766 7.9766 7.9971 7.9971 8.2677 8.2677 8.3156 8.3156 8.5394 8.5394 8.5626 8.5626 9.1569 9.1569 9.1603 9.1603 11.3106 11.3106 11.3214 11.3214 12.7845 12.7845 12.7883 12.7883 k = 0.1242-0.1408 0.4334 ( 2722 PWs) bands (ev): -3.4369 -3.4369 -3.4364 -3.4364 1.2555 1.2555 1.2573 1.2573 4.7488 4.7488 4.7523 4.7523 5.8372 5.8372 5.8495 5.8495 6.6319 6.6319 6.6385 6.6385 7.4917 7.4917 7.5245 7.5245 8.0062 8.0062 8.0223 8.0223 8.2610 8.2610 8.3049 8.3049 8.5316 8.5316 8.5555 8.5555 9.1606 9.1606 9.1635 9.1635 11.3433 11.3433 11.3547 11.3547 12.7726 12.7726 12.7786 12.7786 k = 0.1153-0.1307 0.4334 ( 2730 PWs) bands (ev): -3.4586 -3.4586 -3.4581 -3.4581 1.3191 1.3191 1.3208 1.3208 4.7601 4.7601 4.7633 4.7633 5.8167 5.8167 5.8293 5.8293 6.6135 6.6135 6.6201 6.6201 7.4626 7.4626 7.4949 7.4949 8.0350 8.0350 8.0470 8.0470 8.2557 8.2557 8.2948 8.2948 8.5230 8.5230 8.5471 8.5471 9.1654 9.1654 9.1678 9.1678 11.3761 11.3761 11.3881 11.3881 12.7628 12.7628 12.7711 12.7711 k = 0.1064-0.1206 0.4334 ( 2724 PWs) bands (ev): -3.4790 -3.4790 -3.4785 -3.4785 1.3818 1.3818 1.3835 1.3835 4.7667 4.7667 4.7696 4.7696 5.7965 5.7965 5.8094 5.8094 6.5955 6.5955 6.6018 6.6018 7.4377 7.4377 7.4694 7.4694 8.0615 8.0615 8.0693 8.0693 8.2526 8.2526 8.2860 8.2860 8.5137 8.5137 8.5374 8.5374 9.1714 9.1714 9.1734 9.1734 11.4089 11.4089 11.4214 11.4214 12.7548 12.7548 12.7652 12.7652 k = 0.0976-0.1106 0.4334 ( 2724 PWs) bands (ev): -3.4980 -3.4980 -3.4975 -3.4975 1.4432 1.4432 1.4448 1.4448 4.7685 4.7685 4.7711 4.7711 5.7779 5.7779 5.7908 5.7908 6.5773 6.5773 6.5830 6.5830 7.4177 7.4177 7.4485 7.4485 8.0842 8.0842 8.0873 8.0873 8.2524 8.2524 8.2792 8.2792 8.5038 8.5038 8.5266 8.5266 9.1786 9.1786 9.1801 9.1801 11.4417 11.4417 11.4546 11.4546 12.7480 12.7480 12.7607 12.7607 k = 0.0887-0.1005 0.4334 ( 2724 PWs) bands (ev): -3.5155 -3.5155 -3.5151 -3.5151 1.5027 1.5027 1.5042 1.5042 4.7655 4.7655 4.7679 4.7679 5.7616 5.7616 5.7744 5.7744 6.5586 6.5586 6.5637 6.5637 7.4030 7.4030 7.4325 7.4325 8.0999 8.0999 8.1019 8.1019 8.2562 8.2562 8.2754 8.2754 8.4935 8.4935 8.5148 8.5148 9.1869 9.1869 9.1880 9.1880 11.4744 11.4744 11.4875 11.4875 12.7421 12.7421 12.7571 12.7571 k = 0.0798-0.0905 0.4334 ( 2724 PWs) bands (ev): -3.5315 -3.5315 -3.5311 -3.5311 1.5597 1.5597 1.5612 1.5612 4.7582 4.7582 4.7603 4.7603 5.7483 5.7483 5.7608 5.7608 6.5395 6.5395 6.5437 6.5437 7.3934 7.3934 7.4212 7.4212 8.1066 8.1066 8.1134 8.1134 8.2640 8.2640 8.2756 8.2756 8.4828 8.4828 8.5021 8.5021 9.1960 9.1960 9.1968 9.1968 11.5068 11.5068 11.5200 11.5200 12.7365 12.7365 12.7537 12.7537 k = 0.0710-0.0804 0.4334 ( 2724 PWs) bands (ev): -3.5459 -3.5459 -3.5456 -3.5456 1.6135 1.6135 1.6149 1.6149 4.7471 4.7471 4.7489 4.7489 5.7384 5.7384 5.7504 5.7504 6.5202 6.5202 6.5234 6.5234 7.3885 7.3885 7.4142 7.4142 8.1080 8.1080 8.1183 8.1183 8.2752 8.2752 8.2801 8.2801 8.4720 8.4720 8.4889 8.4889 9.2057 9.2057 9.2063 9.2063 11.5387 11.5387 11.5517 11.5517 12.7309 12.7309 12.7500 12.7500 k = 0.0621-0.0704 0.4334 ( 2728 PWs) bands (ev): -3.5588 -3.5588 -3.5585 -3.5585 1.6634 1.6634 1.6647 1.6647 4.7332 4.7332 4.7348 4.7348 5.7318 5.7318 5.7430 5.7430 6.5008 6.5008 6.5032 6.5032 7.3874 7.3874 7.4108 7.4108 8.1056 8.1056 8.1175 8.1175 8.2883 8.2883 8.2885 8.2885 8.4612 8.4612 8.4754 8.4754 9.2156 9.2156 9.2160 9.2160 11.5697 11.5697 11.5823 11.5823 12.7246 12.7246 12.7454 12.7454 k = 0.0532-0.0603 0.4334 ( 2726 PWs) bands (ev): -3.5699 -3.5699 -3.5697 -3.5697 1.7088 1.7088 1.7099 1.7099 4.7176 4.7176 4.7190 4.7190 5.7282 5.7282 5.7384 5.7384 6.4823 6.4823 6.4838 6.4838 7.3895 7.3895 7.4101 7.4101 8.1008 8.1008 8.1128 8.1128 8.2994 8.2994 8.3026 8.3026 8.4505 8.4505 8.4618 8.4618 9.2253 9.2253 9.2256 9.2256 11.5994 11.5994 11.6114 11.6114 12.7175 12.7175 12.7392 12.7392 k = 0.0444-0.0503 0.4334 ( 2722 PWs) bands (ev): -3.5795 -3.5795 -3.5793 -3.5793 1.7487 1.7487 1.7497 1.7497 4.7015 4.7015 4.7027 4.7027 5.7270 5.7270 5.7359 5.7359 6.4649 6.4649 6.4658 6.4658 7.3936 7.3936 7.4113 7.4113 8.0949 8.0949 8.1058 8.1058 8.3116 8.3116 8.3167 8.3167 8.4400 8.4400 8.4483 8.4483 9.2344 9.2344 9.2347 9.2347 11.6272 11.6272 11.6380 11.6380 12.7093 12.7093 12.7309 12.7309 k = 0.0355-0.0402 0.4334 ( 2720 PWs) bands (ev): -3.5873 -3.5873 -3.5871 -3.5871 1.7826 1.7826 1.7834 1.7834 4.6863 4.6863 4.6872 4.6872 5.7275 5.7275 5.7350 5.7350 6.4495 6.4495 6.4499 6.4499 7.3989 7.3989 7.4134 7.4134 8.0889 8.0889 8.0980 8.0980 8.3243 8.3243 8.3303 8.3303 8.4297 8.4297 8.4352 8.4352 9.2425 9.2425 9.2428 9.2428 11.6522 11.6522 11.6616 11.6616 12.7005 12.7005 12.7206 12.7206 k = 0.0266-0.0302 0.4334 ( 2722 PWs) bands (ev): -3.5934 -3.5934 -3.5933 -3.5933 1.8098 1.8098 1.8105 1.8105 4.6731 4.6731 4.6738 4.6738 5.7291 5.7291 5.7349 5.7349 6.4366 6.4366 6.4369 6.4369 7.4046 7.4046 7.4156 7.4156 8.0836 8.0836 8.0905 8.0905 8.3367 8.3367 8.3428 8.3428 8.4198 8.4198 8.4227 8.4227 9.2493 9.2493 9.2495 9.2495 11.6735 11.6735 11.6810 11.6810 12.6920 12.6920 12.7089 12.7089 k = 0.0177-0.0201 0.4334 ( 2718 PWs) bands (ev): -3.5977 -3.5977 -3.5977 -3.5977 1.8298 1.8298 1.8302 1.8302 4.6629 4.6629 4.6634 4.6634 5.7310 5.7310 5.7350 5.7350 6.4269 6.4269 6.4271 6.4271 7.4098 7.4098 7.4173 7.4173 8.0796 8.0796 8.0843 8.0843 8.3484 8.3484 8.3539 8.3539 8.4105 8.4105 8.4112 8.4112 9.2543 9.2543 9.2546 9.2546 11.6901 11.6901 11.6954 11.6954 12.6853 12.6853 12.6975 12.6975 k = 0.0089-0.0101 0.4334 ( 2718 PWs) bands (ev): -3.6003 -3.6003 -3.6003 -3.6003 1.8419 1.8419 1.8421 1.8421 4.6565 4.6565 4.6567 4.6567 5.7328 5.7328 5.7349 5.7349 6.4209 6.4209 6.4211 6.4211 7.4139 7.4139 7.4177 7.4177 8.0775 8.0775 8.0799 8.0799 8.3585 8.3585 8.3622 8.3622 8.4020 8.4020 8.4026 8.4026 9.2575 9.2575 9.2577 9.2577 11.7011 11.7011 11.7038 11.7038 12.6818 12.6818 12.6882 12.6882 k = 0.0000 0.0000 0.4334 ( 2718 PWs) bands (ev): -3.6012 -3.6012 -3.6012 -3.6012 1.8461 1.8461 1.8461 1.8461 4.6543 4.6543 4.6544 4.6544 5.7341 5.7341 5.7343 5.7343 6.4188 6.4188 6.4190 6.4190 7.4165 7.4165 7.4168 7.4168 8.0773 8.0773 8.0778 8.0778 8.3641 8.3641 8.3645 8.3645 8.3983 8.3983 8.3987 8.3987 9.2585 9.2585 9.2587 9.2587 11.7057 11.7057 11.7059 11.7059 12.6827 12.6827 12.6828 12.6828 k = 0.0000 0.0000 0.4334 ( 2718 PWs) bands (ev): -3.6012 -3.6012 -3.6012 -3.6012 1.8461 1.8461 1.8461 1.8461 4.6543 4.6543 4.6544 4.6544 5.7341 5.7341 5.7343 5.7343 6.4188 6.4188 6.4190 6.4190 7.4165 7.4165 7.4168 7.4168 8.0773 8.0773 8.0778 8.0778 8.3641 8.3641 8.3645 8.3645 8.3983 8.3983 8.3987 8.3987 9.2585 9.2585 9.2587 9.2587 11.7057 11.7057 11.7059 11.7059 12.6827 12.6827 12.6828 12.6828 k = 0.0099 0.0088 0.4334 ( 2718 PWs) bands (ev): -3.6069 -3.6069 -3.5939 -3.5939 1.8021 1.8021 1.8848 1.8848 4.6302 4.6302 4.6837 4.6837 5.6986 5.6986 5.7683 5.7683 6.3890 6.3890 6.4484 6.4484 7.3993 7.3993 7.4318 7.4318 8.0720 8.0720 8.0833 8.0833 8.3518 8.3518 8.3738 8.3738 8.3888 8.3888 8.4140 8.4140 9.2285 9.2285 9.2854 9.2854 11.6748 11.6748 11.7305 11.7305 12.6546 12.6546 12.7098 12.7098 k = 0.0199 0.0175 0.4334 ( 2723 PWs) bands (ev): -3.6108 -3.6108 -3.5848 -3.5848 1.7531 1.7531 1.9176 1.9176 4.6118 4.6118 4.7176 4.7176 5.6620 5.6620 5.8003 5.8003 6.3590 6.3590 6.4773 6.4773 7.3798 7.3798 7.4448 7.4448 8.0669 8.0669 8.0888 8.0888 8.3394 8.3394 8.3678 8.3678 8.3978 8.3978 8.4317 8.4317 9.1955 9.1955 9.3083 9.3083 11.6385 11.6385 11.7477 11.7477 12.6299 12.6299 12.7285 12.7285 k = 0.0298 0.0263 0.4334 ( 2719 PWs) bands (ev): -3.6132 -3.6132 -3.5741 -3.5741 1.6998 1.6998 1.9443 1.9443 4.5998 4.5998 4.7551 4.7551 5.6247 5.6247 5.8298 5.8298 6.3292 6.3292 6.5056 6.5056 7.3584 7.3584 7.4559 7.4559 8.0628 8.0628 8.0939 8.0939 8.3273 8.3273 8.3582 8.3582 8.4137 8.4137 8.4513 8.4513 9.1602 9.1602 9.3270 9.3270 11.5980 11.5980 11.7560 11.7560 12.6110 12.6110 12.7339 12.7339 k = 0.0398 0.0351 0.4334 ( 2717 PWs) bands (ev): -3.6139 -3.6139 -3.5616 -3.5616 1.6425 1.6425 1.9645 1.9645 4.5942 4.5942 4.7955 4.7955 5.5871 5.5871 5.8556 5.8556 6.3003 6.3003 6.5331 6.5331 7.3354 7.3354 7.4651 7.4651 8.0596 8.0596 8.0982 8.0982 8.3154 8.3154 8.3499 8.3499 8.4315 8.4315 8.4726 8.4726 9.1232 9.1232 9.3411 9.3411 11.5542 11.5542 11.7540 11.7540 12.5990 12.5990 12.7302 12.7302 k = 0.0497 0.0439 0.4334 ( 2715 PWs) bands (ev): -3.6130 -3.6130 -3.5473 -3.5473 1.5819 1.5819 1.9783 1.9783 4.5954 4.5954 4.8379 4.8379 5.5495 5.5495 5.8765 5.8765 6.2734 6.2734 6.5598 6.5598 7.3108 7.3108 7.4729 7.4729 8.0572 8.0572 8.1014 8.1014 8.3038 8.3038 8.3430 8.3430 8.4506 8.4506 8.4959 8.4959 9.0852 9.0852 9.3504 9.3504 11.5080 11.5080 11.7408 11.7408 12.5946 12.5946 12.7263 12.7263 k = 0.0596 0.0526 0.4334 ( 2719 PWs) bands (ev): -3.6106 -3.6106 -3.5313 -3.5313 1.5183 1.5183 1.9855 1.9855 4.6030 4.6030 4.8816 4.8816 5.5123 5.5123 5.8907 5.8907 6.2502 6.2502 6.5856 6.5856 7.2849 7.2849 7.4798 7.4798 8.0553 8.0553 8.1034 8.1034 8.2926 8.2926 8.3374 8.3374 8.4704 8.4704 8.5212 8.5212 9.0467 9.0467 9.3548 9.3548 11.4602 11.4602 11.7158 11.7158 12.5978 12.5978 12.7280 12.7280 k = 0.0696 0.0614 0.4334 ( 2717 PWs) bands (ev): -3.6066 -3.6066 -3.5136 -3.5136 1.4522 1.4522 1.9864 1.9864 4.6167 4.6167 4.9256 4.9256 5.4762 5.4762 5.8961 5.8961 6.2328 6.2328 6.6104 6.6104 7.2580 7.2580 7.4865 7.4865 8.0536 8.0536 8.1038 8.1038 8.2824 8.2824 8.3326 8.3326 8.4904 8.4904 8.5490 8.5490 9.0085 9.0085 9.3543 9.3543 11.4119 11.4119 11.6793 11.6793 12.6084 12.6084 12.7377 12.7377 k = 0.0795 0.0702 0.4334 ( 2716 PWs) bands (ev): -3.6011 -3.6011 -3.4941 -3.4941 1.3839 1.3839 1.9813 1.9813 4.6356 4.6356 4.9691 4.9691 5.4417 5.4417 5.8906 5.8906 6.2229 6.2229 6.6342 6.6342 7.2301 7.2301 7.4935 7.4935 8.0517 8.0517 8.1022 8.1022 8.2737 8.2737 8.3285 8.3285 8.5101 8.5101 8.5794 8.5794 8.9714 8.9714 9.3489 9.3489 11.3638 11.3638 11.6321 11.6321 12.6259 12.6259 12.7559 12.7559 k = 0.0895 0.0789 0.4334 ( 2711 PWs) bands (ev): -3.5942 -3.5942 -3.4728 -3.4728 1.3139 1.3139 1.9707 1.9707 4.6587 4.6587 5.0114 5.0114 5.4098 5.4098 5.8736 5.8736 6.2215 6.2215 6.6569 6.6569 7.2016 7.2016 7.5013 7.5013 8.0490 8.0490 8.0975 8.0975 8.2671 8.2671 8.3249 8.3249 8.5288 8.5288 8.6125 8.6125 8.9364 8.9364 9.3390 9.3390 11.3169 11.3169 11.5757 11.5757 12.6498 12.6498 12.7819 12.7819 k = 0.0994 0.0877 0.4334 ( 2710 PWs) bands (ev): -3.5859 -3.5859 -3.4498 -3.4498 1.2424 1.2424 1.9550 1.9550 4.6844 4.6844 5.0516 5.0516 5.3816 5.3816 5.8460 5.8460 6.2276 6.2276 6.6782 6.6782 7.1725 7.1725 7.5103 7.5103 8.0454 8.0454 8.0891 8.0891 8.2632 8.2632 8.3216 8.3216 8.5462 8.5462 8.6480 8.6480 8.9048 8.9048 9.3248 9.3248 11.2717 11.2717 11.5116 11.5116 12.6794 12.6794 12.8146 12.8146 k = 0.1093 0.0965 0.4334 ( 2712 PWs) bands (ev): -3.5763 -3.5763 -3.4250 -3.4250 1.1697 1.1697 1.9349 1.9349 4.7106 4.7106 5.0889 5.0889 5.3587 5.3587 5.8099 5.8099 6.2396 6.2396 6.6980 6.6980 7.1431 7.1431 7.5208 7.5208 8.0403 8.0403 8.0764 8.0764 8.2619 8.2619 8.3189 8.3189 8.5618 8.5618 8.6842 8.6842 8.8790 8.8790 9.3069 9.3069 11.2290 11.2290 11.4413 11.4413 12.7139 12.7139 12.8526 12.8526 k = 0.1193 0.1052 0.4334 ( 2714 PWs) bands (ev): -3.5653 -3.5653 -3.3985 -3.3985 1.0960 1.0960 1.9109 1.9109 4.7347 4.7347 5.1226 5.1226 5.3431 5.3431 5.7676 5.7676 6.2557 6.2557 6.7161 6.7161 7.1135 7.1135 7.5329 7.5329 8.0329 8.0329 8.0603 8.0603 8.2623 8.2623 8.3173 8.3173 8.5754 8.5754 8.7164 8.7164 8.8641 8.8641 9.2862 9.2862 11.1892 11.1892 11.3665 11.3665 12.7526 12.7526 12.8946 12.8946 k = 0.1292 0.1140 0.4334 ( 2711 PWs) bands (ev): -3.5530 -3.5530 -3.3702 -3.3702 1.0216 1.0216 1.8837 1.8837 4.7538 4.7538 5.1515 5.1515 5.3372 5.3372 5.7214 5.7214 6.2744 6.2744 6.7323 6.7323 7.0840 7.0840 7.5465 7.5465 8.0199 8.0199 8.0445 8.0445 8.2624 8.2624 8.3178 8.3178 8.5867 8.5867 8.7345 8.7345 8.8711 8.8711 9.2634 9.2634 11.1526 11.1526 11.2885 11.2885 12.7948 12.7948 12.9393 12.9393 k = 0.1392 0.1228 0.4334 ( 2706 PWs) bands (ev): -3.5396 -3.5396 -3.3402 -3.3402 0.9466 0.9466 1.8540 1.8540 4.7653 4.7653 5.1745 5.1745 5.3430 5.3430 5.6735 5.6735 6.2948 6.2948 6.7461 6.7461 7.0547 7.0547 7.5615 7.5615 7.9974 7.9974 8.0333 8.0333 8.2600 8.2600 8.3215 8.3215 8.5956 8.5956 8.7336 8.7336 8.9050 8.9050 9.2396 9.2396 11.1193 11.1193 11.2090 11.2090 12.8399 12.8399 12.9857 12.9857 k = 0.1491 0.1316 0.4334 ( 2708 PWs) bands (ev): -3.5250 -3.5250 -3.3085 -3.3085 0.8712 0.8712 1.8223 1.8223 4.7673 4.7673 5.1898 5.1898 5.3617 5.3617 5.6263 5.6263 6.3162 6.3162 6.7570 6.7570 7.0260 7.0260 7.5776 7.5776 7.9683 7.9683 8.0247 8.0247 8.2539 8.2539 8.3287 8.3287 8.6020 8.6020 8.7224 8.7224 8.9570 8.9570 9.2161 9.2161 11.0866 11.0866 11.1316 11.1316 12.8874 12.8874 13.0327 13.0327 k = 0.1591 0.1403 0.4334 ( 2708 PWs) bands (ev): -3.5093 -3.5093 -3.2751 -3.2751 0.7954 0.7954 1.7892 1.7892 4.7595 4.7595 5.1952 5.1952 5.3932 5.3932 5.5827 5.5827 6.3383 6.3383 6.7645 6.7645 6.9984 6.9984 7.5943 7.5943 7.9352 7.9352 8.0168 8.0168 8.2439 8.2439 8.3386 8.3386 8.6060 8.6060 8.7086 8.7086 9.0186 9.0186 9.1947 9.1947 11.0337 11.0337 11.0785 11.0785 12.9367 12.9367 13.0798 13.0798 k = 0.1690 0.1491 0.4334 ( 2700 PWs) bands (ev): -3.4926 -3.4926 -3.2400 -3.2400 0.7196 0.7196 1.7551 1.7551 4.7429 4.7429 5.1880 5.1880 5.4356 5.4356 5.5461 5.5461 6.3606 6.3606 6.7673 6.7673 6.9728 6.9728 7.6112 7.6112 7.8997 7.8997 8.0090 8.0090 8.2306 8.2306 8.3504 8.3504 8.6077 8.6077 8.6951 8.6951 9.0829 9.0829 9.1802 9.1802 10.9572 10.9572 11.0538 11.0538 12.9874 12.9874 13.1264 13.1264 k = 0.1789 0.1579 0.4334 ( 2699 PWs) bands (ev): -3.4750 -3.4750 -3.2032 -3.2032 0.6436 0.6436 1.7206 1.7206 4.7193 4.7193 5.1660 5.1660 5.4866 5.4866 5.5194 5.5194 6.3828 6.3828 6.7644 6.7644 6.9501 6.9501 7.6276 7.6276 7.8625 7.8625 8.0009 8.0009 8.2142 8.2142 8.3630 8.3630 8.6075 8.6075 8.6827 8.6827 9.1219 9.1219 9.1999 9.1999 10.8788 10.8788 11.0369 11.0369 13.0393 13.0393 13.1723 13.1723 k = 0.1889 0.1666 0.4334 ( 2695 PWs) bands (ev): -3.4564 -3.4564 -3.1648 -3.1648 0.5676 0.5676 1.6860 1.6860 4.6902 4.6902 5.1294 5.1294 5.5009 5.5009 5.5459 5.5459 6.4049 6.4049 6.7542 6.7542 6.9313 6.9313 7.6425 7.6425 7.8250 7.8250 7.9927 7.9927 8.1954 8.1954 8.3761 8.3761 8.6059 8.6059 8.6717 8.6717 9.1185 9.1185 9.2704 9.2704 10.8022 10.8022 11.0247 11.0247 13.0920 13.0920 13.2175 13.2175 k = 0.1988 0.1754 0.4334 ( 2693 PWs) bands (ev): -3.4371 -3.4371 -3.1248 -3.1248 0.4916 0.4916 1.6518 1.6518 4.6572 4.6572 5.0807 5.0807 5.4922 5.4922 5.6083 5.6083 6.4266 6.4266 6.7363 6.7363 6.9170 6.9170 7.6544 7.6544 7.7891 7.7891 7.9843 7.9843 8.1746 8.1746 8.3893 8.3893 8.6031 8.6031 8.6622 8.6622 9.1076 9.1076 9.3563 9.3563 10.7291 10.7291 11.0167 11.0167 13.1454 13.1454 13.2621 13.2621 k = 0.2088 0.1842 0.4334 ( 2695 PWs) bands (ev): -3.4170 -3.4170 -3.0832 -3.0832 0.4157 0.4157 1.6183 1.6183 4.6213 4.6213 5.0232 5.0232 5.4887 5.4887 5.6739 5.6739 6.4476 6.4476 6.7107 6.7107 6.9066 6.9066 7.6592 7.6592 7.7587 7.7587 7.9757 7.9757 8.1527 8.1527 8.4022 8.4022 8.5996 8.5996 8.6540 8.6540 9.0975 9.0975 9.4482 9.4482 10.6608 10.6608 11.0125 11.0125 13.1993 13.1993 13.3064 13.3064 k = 0.2187 0.1929 0.4334 ( 2688 PWs) bands (ev): -3.3963 -3.3963 -3.0401 -3.0401 0.3400 0.3400 1.5858 1.5858 4.5833 4.5833 4.9597 4.9597 5.4884 5.4884 5.7411 5.7411 6.4678 6.4678 6.6787 6.6787 6.8989 6.8989 7.6494 7.6494 7.7418 7.7418 7.9670 7.9670 8.1306 8.1306 8.4148 8.4148 8.5954 8.5954 8.6474 8.6474 9.0894 9.0894 9.5432 9.5432 10.5989 10.5989 11.0119 11.0119 13.2539 13.2539 13.3508 13.3508 k = 0.2286 0.2017 0.4334 ( 2686 PWs) bands (ev): -3.3750 -3.3750 -2.9954 -2.9954 0.2645 0.2645 1.5546 1.5546 4.5438 4.5438 4.8924 4.8924 5.4897 5.4897 5.8088 5.8088 6.4869 6.4869 6.6414 6.6414 6.8927 6.8927 7.6233 7.6233 7.7401 7.7401 7.9584 7.9584 8.1092 8.1092 8.4270 8.4270 8.5903 8.5903 8.6424 8.6424 9.0833 9.0833 9.6386 9.6386 10.5461 10.5461 11.0146 11.0146 13.3089 13.3089 13.3957 13.3957 k = 0.2386 0.2105 0.4334 ( 2683 PWs) bands (ev): -3.3532 -3.3532 -2.9493 -2.9493 0.1891 0.1891 1.5249 1.5249 4.5034 4.5034 4.8228 4.8228 5.4917 5.4917 5.8758 5.8758 6.5040 6.5040 6.6002 6.6002 6.8873 6.8873 7.5888 7.5888 7.7459 7.7459 7.9501 7.9501 8.0892 8.0892 8.4386 8.4386 8.5842 8.5842 8.6391 8.6391 9.0791 9.0791 9.7303 9.7303 10.5061 10.5061 11.0205 11.0205 13.3645 13.3645 13.4415 13.4415 k = 0.2485 0.2193 0.4334 ( 2683 PWs) bands (ev): -3.3309 -3.3309 -2.9017 -2.9017 0.1139 0.1139 1.4968 1.4968 4.4622 4.4622 4.7519 4.7519 5.4939 5.4939 5.9412 5.9412 6.5145 6.5145 6.5603 6.5603 6.8822 6.8822 7.5515 7.5515 7.7538 7.7538 7.9424 7.9424 8.0712 8.0712 8.4495 8.4495 8.5771 8.5771 8.6376 8.6376 9.0765 9.0765 9.8123 9.8123 10.4850 10.4850 11.0294 11.0294 13.4204 13.4204 13.4886 13.4886 k = 0.2585 0.2280 0.4334 ( 2681 PWs) bands (ev): -3.3084 -3.3084 -2.8527 -2.8527 0.0389 0.0389 1.4707 1.4707 4.4205 4.4205 4.6805 4.6805 5.4960 5.4960 6.0040 6.0040 6.4899 6.4899 6.5505 6.5505 6.8776 6.8776 7.5136 7.5136 7.7619 7.7619 7.9358 7.9358 8.0556 8.0556 8.4598 8.4598 8.5689 8.5689 8.6377 8.6377 9.0755 9.0755 9.8766 9.8766 10.4907 10.4907 11.0409 11.0409 13.4764 13.4764 13.5374 13.5374 k = 0.2684 0.2368 0.4334 ( 2692 PWs) bands (ev): -3.2856 -3.2856 -2.8024 -2.8024 -0.0359 -0.0359 1.4466 1.4466 4.3785 4.3785 4.6093 4.6093 5.4978 5.4978 6.0631 6.0631 6.4396 6.4396 6.5618 6.5618 6.8734 6.8734 7.4761 7.4761 7.7694 7.7694 7.9308 7.9308 8.0425 8.0425 8.4691 8.4691 8.5597 8.5597 8.6393 8.6393 9.0756 9.0756 9.9159 9.9159 10.5300 10.5300 11.0550 11.0550 13.5319 13.5319 13.5881 13.5881 k = 0.2783 0.2456 0.4334 ( 2684 PWs) bands (ev): -3.2627 -3.2627 -2.7508 -2.7508 -0.1105 -0.1105 1.4247 1.4247 4.3365 4.3365 4.5388 4.5388 5.4994 5.4994 6.1172 6.1172 6.3841 6.3841 6.5749 6.5749 6.8701 6.8701 7.4394 7.4394 7.7763 7.7763 7.9276 7.9276 8.0318 8.0318 8.4774 8.4774 8.5499 8.5499 8.6421 8.6421 9.0769 9.0769 9.9305 9.9305 10.6027 10.6027 11.0714 11.0714 13.5856 13.5856 13.6411 13.6411 k = 0.2883 0.2543 0.4334 ( 2688 PWs) bands (ev): -3.2397 -3.2397 -2.6979 -2.6979 -0.1850 -0.1850 1.4051 1.4051 4.2945 4.2945 4.4694 4.4694 5.5009 5.5009 6.1631 6.1631 6.3285 6.3285 6.5873 6.5873 6.8678 6.8678 7.4038 7.4038 7.7824 7.7824 7.9266 7.9266 8.0233 8.0233 8.4840 8.4840 8.5399 8.5399 8.6458 8.6458 9.0793 9.0793 9.9269 9.9269 10.7019 10.7019 11.0900 11.0900 13.6347 13.6347 13.6965 13.6965 k = 0.2982 0.2631 0.4334 ( 2688 PWs) bands (ev): -3.2167 -3.2167 -2.6438 -2.6438 -0.2593 -0.2593 1.3879 1.3879 4.2526 4.2526 4.4014 4.4014 5.5021 5.5021 6.1875 6.1875 6.2866 6.2866 6.5986 6.5986 6.8670 6.8670 7.3695 7.3695 7.7877 7.7877 7.9277 7.9277 8.0169 8.0169 8.4875 8.4875 8.5314 8.5314 8.6504 8.6504 9.0825 9.0825 9.9128 9.9128 10.8193 10.8193 11.1107 11.1107 13.6726 13.6726 13.7546 13.7546 k = 0.3082 0.2719 0.4334 ( 2690 PWs) bands (ev): -3.1938 -3.1938 -2.5885 -2.5885 -0.3334 -0.3334 1.3731 1.3731 4.2110 4.2110 4.3352 4.3352 5.5032 5.5032 6.1592 6.1592 6.2897 6.2897 6.6088 6.6088 6.8678 6.8678 7.3365 7.3365 7.7923 7.7923 7.9307 7.9307 8.0125 8.0125 8.4855 8.4855 8.5270 8.5270 8.6557 8.6557 9.0866 9.0866 9.8939 9.8939 10.9489 10.9489 11.1336 11.1336 13.6865 13.6865 13.8154 13.8154 k = 0.3181 0.2807 0.4334 ( 2691 PWs) bands (ev): -3.1711 -3.1711 -2.5322 -2.5322 -0.4074 -0.4074 1.3607 1.3607 4.1697 4.1697 4.2711 4.2711 5.5043 5.5043 6.1002 6.1002 6.3162 6.3162 6.6178 6.6178 6.8703 6.8703 7.3049 7.3049 7.7963 7.7963 7.9353 7.9353 8.0102 8.0102 8.4770 8.4770 8.5277 8.5277 8.6616 8.6616 9.0916 9.0916 9.8735 9.8735 11.0850 11.0850 11.1598 11.1598 13.6639 13.6639 13.8792 13.8792 k = 0.3280 0.2894 0.4334 ( 2688 PWs) bands (ev): -3.1486 -3.1486 -2.4749 -2.4749 -0.4813 -0.4813 1.3508 1.3508 4.1288 4.1288 4.2094 4.2094 5.5055 5.5055 6.0338 6.0338 6.3434 6.3434 6.6254 6.6254 6.8746 6.8746 7.2748 7.2748 7.7995 7.7995 7.9408 7.9408 8.0102 8.0102 8.4642 8.4642 8.5315 8.5315 8.6679 8.6679 9.0974 9.0974 9.8537 9.8537 11.1767 11.1767 11.2379 11.2379 13.6094 13.6094 13.9462 13.9462 k = 0.3380 0.2982 0.4334 ( 2690 PWs) bands (ev): -3.1265 -3.1265 -2.4167 -2.4167 -0.5550 -0.5550 1.3434 1.3434 4.0884 4.0884 4.1504 4.1504 5.5067 5.5067 5.9651 5.9651 6.3671 6.3671 6.6318 6.6318 6.8803 6.8803 7.2462 7.2462 7.8022 7.8022 7.9463 7.9463 8.0130 8.0130 8.4492 8.4492 8.5365 8.5365 8.6745 8.6745 9.1041 9.1041 9.8353 9.8353 11.2067 11.2067 11.3834 11.3834 13.5370 13.5370 14.0164 14.0164 k = 0.3479 0.3070 0.4334 ( 2690 PWs) bands (ev): -3.1047 -3.1047 -2.3576 -2.3576 -0.6286 -0.6286 1.3384 1.3384 4.0487 4.0487 4.0943 4.0943 5.5081 5.5081 5.8958 5.8958 6.3866 6.3866 6.6369 6.6369 6.8871 6.8871 7.2191 7.2191 7.8042 7.8042 7.9512 7.9512 8.0189 8.0189 8.4331 8.4331 8.5418 8.5418 8.6815 8.6815 9.1116 9.1116 9.8190 9.8190 11.2351 11.2351 11.5346 11.5346 13.4566 13.4566 14.0899 14.0899 k = 0.3579 0.3157 0.4334 ( 2692 PWs) bands (ev): -3.0834 -3.0834 -2.2977 -2.2977 -0.7020 -0.7020 1.3357 1.3357 4.0096 4.0096 4.0414 4.0414 5.5096 5.5096 5.8267 5.8267 6.4020 6.4020 6.6407 6.6407 6.8948 6.8948 7.1935 7.1935 7.8055 7.8055 7.9549 7.9549 8.0276 8.0276 8.4166 8.4166 8.5472 8.5472 8.6885 8.6885 9.1198 9.1198 9.8049 9.8049 11.2640 11.2640 11.6883 11.6883 13.3733 13.3733 14.1668 14.1668 k = 0.3678 0.3245 0.4334 ( 2696 PWs) bands (ev): -3.0627 -3.0627 -2.2372 -2.2372 -0.7753 -0.7753 1.3353 1.3353 3.9714 3.9714 3.9918 3.9918 5.5115 5.5115 5.7587 5.7587 6.4138 6.4138 6.6432 6.6432 6.9026 6.9026 7.1693 7.1693 7.8063 7.8063 7.9574 7.9574 8.0387 8.0387 8.3999 8.3999 8.5523 8.5523 8.6956 8.6956 9.1287 9.1287 9.7931 9.7931 11.2934 11.2934 11.8435 11.8435 13.2900 13.2900 14.2472 14.2472 k = 0.3777 0.3333 0.4334 ( 2698 PWs) bands (ev): -3.0425 -3.0425 -2.1762 -2.1762 -0.8484 -0.8484 1.3371 1.3371 3.9342 3.9342 3.9457 3.9457 5.5137 5.5137 5.6923 5.6923 6.4227 6.4227 6.6442 6.6442 6.9103 6.9103 7.1467 7.1467 7.8065 7.8065 7.9590 7.9590 8.0513 8.0513 8.3835 8.3835 8.5570 8.5570 8.7026 8.7026 9.1381 9.1381 9.7835 9.7835 11.3228 11.3228 11.9994 11.9994 13.2089 13.2089 14.3308 14.3308 k = 0.3877 0.3420 0.4334 ( 2700 PWs) bands (ev): -3.0230 -3.0230 -2.1149 -2.1149 -0.9211 -0.9211 1.3409 1.3409 3.8981 3.8981 3.9035 3.9035 5.5159 5.5159 5.6283 5.6283 6.4290 6.4290 6.6440 6.6440 6.9176 6.9176 7.1256 7.1256 7.8063 7.8063 7.9599 7.9599 8.0646 8.0646 8.3677 8.3677 8.5615 8.5615 8.7093 8.7093 9.1480 9.1480 9.7759 9.7759 11.3520 11.3520 12.1553 12.1553 13.1315 13.1315 14.4173 14.4173 k = 0.3976 0.3508 0.4334 ( 2704 PWs) bands (ev): -3.0042 -3.0042 -2.0533 -2.0533 -0.9934 -0.9934 1.3465 1.3465 3.8631 3.8631 3.8654 3.8654 5.5164 5.5164 5.5689 5.5689 6.4334 6.4334 6.6421 6.6421 6.9241 6.9241 7.1061 7.1061 7.8056 7.8056 7.9605 7.9605 8.0779 8.0779 8.3527 8.3527 8.5655 8.5655 8.7158 8.7158 9.1582 9.1582 9.7702 9.7702 11.3802 11.3802 12.3107 12.3107 13.0595 13.0595 14.5045 14.5046 k = 0.4076 0.3596 0.4334 ( 2704 PWs) bands (ev): -2.9861 -2.9861 -1.9920 -1.9920 -1.0650 -1.0650 1.3537 1.3537 3.8297 3.8297 3.8314 3.8314 5.4950 5.4950 5.5348 5.5348 6.4362 6.4362 6.6388 6.6388 6.9297 6.9297 7.0882 7.0882 7.8047 7.8047 7.9607 7.9607 8.0907 8.0907 8.3387 8.3387 8.5691 8.5691 8.7217 8.7217 9.1684 9.1684 9.7662 9.7662 11.4068 11.4068 12.4648 12.4648 12.9942 12.9942 14.5810 14.5810 k = 0.4175 0.3684 0.4334 ( 2708 PWs) bands (ev): -2.9688 -2.9688 -1.9312 -1.9312 -1.1355 -1.1355 1.3624 1.3624 3.7988 3.7988 3.8009 3.8009 5.4435 5.4435 5.5346 5.5346 6.4378 6.4378 6.6338 6.6338 6.9344 6.9344 7.0722 7.0722 7.8035 7.8035 7.9608 7.9608 8.1025 8.1025 8.3259 8.3259 8.5720 8.5720 8.7271 8.7271 9.1783 9.1783 9.7637 9.7637 11.4309 11.4309 12.6169 12.6169 12.9372 12.9372 14.6471 14.6471 k = 0.4275 0.3771 0.4334 ( 2708 PWs) bands (ev): -2.9522 -2.9522 -1.8717 -1.8717 -1.2043 -1.2043 1.3722 1.3722 3.7698 3.7698 3.7749 3.7749 5.3909 5.3909 5.5395 5.5395 6.4384 6.4384 6.6271 6.6271 6.9381 6.9381 7.0579 7.0579 7.8022 7.8022 7.9607 7.9607 8.1131 8.1131 8.3144 8.3144 8.5745 8.5745 8.7317 8.7317 9.1877 9.1877 9.7626 9.7626 11.4516 11.4516 12.7663 12.7663 12.8900 12.8900 14.7076 14.7076 k = 0.4374 0.3859 0.4334 ( 2710 PWs) bands (ev): -2.9365 -2.9365 -1.8150 -1.8150 -1.2700 -1.2700 1.3829 1.3829 3.7430 3.7430 3.7535 3.7535 5.3411 5.3411 5.5460 5.5460 6.4381 6.4381 6.6186 6.6186 6.9408 6.9408 7.0454 7.0454 7.8008 7.8008 7.9605 7.9605 8.1222 8.1222 8.3044 8.3044 8.5765 8.5765 8.7356 8.7356 9.1963 9.1963 9.7624 9.7624 11.4678 11.4678 12.8538 12.8538 12.9121 12.9121 14.7622 14.7622 k = 0.4473 0.3947 0.4334 ( 2705 PWs) bands (ev): -2.9217 -2.9217 -1.7636 -1.7636 -1.3299 -1.3299 1.3943 1.3943 3.7188 3.7188 3.7367 3.7367 5.2946 5.2946 5.5537 5.5537 6.4371 6.4371 6.6083 6.6083 6.9428 6.9428 7.0349 7.0349 7.7994 7.7994 7.9603 7.9603 8.1298 8.1298 8.2959 8.2959 8.5779 8.5779 8.7385 8.7385 9.2038 9.2038 9.7633 9.7633 11.4788 11.4788 12.8300 12.8300 13.0532 13.0532 14.8096 14.8096 k = 0.4573 0.4034 0.4334 ( 2703 PWs) bands (ev): -2.9077 -2.9077 -1.7236 -1.7236 -1.3783 -1.3783 1.4059 1.4059 3.6976 3.6976 3.7246 3.7246 5.2517 5.2517 5.5626 5.5626 6.4354 6.4354 6.5962 6.5962 6.9440 6.9440 7.0261 7.0261 7.7980 7.7980 7.9599 7.9599 8.1360 8.1360 8.2889 8.2889 8.5787 8.5787 8.7404 8.7404 9.2100 9.2100 9.7650 9.7650 11.4838 11.4838 12.8194 12.8194 13.1883 13.1883 14.8488 14.8488 k = 0.4672 0.4122 0.4334 ( 2704 PWs) bands (ev): -2.8945 -2.8945 -1.7054 -1.7054 -1.4045 -1.4045 1.4175 1.4175 3.6797 3.6797 3.7171 3.7171 5.2126 5.2126 5.5728 5.5728 6.4330 6.4330 6.5824 6.5824 6.9446 6.9446 7.0191 7.0191 7.7966 7.7966 7.9593 7.9593 8.1408 8.1408 8.2832 8.2832 8.5789 8.5789 8.7413 8.7413 9.2146 9.2146 9.7672 9.7672 11.4827 11.4827 12.8224 12.8224 13.3154 13.3154 14.8782 14.8782 k = 0.4672 0.4122 0.4334 ( 2704 PWs) bands (ev): -2.8945 -2.8945 -1.7054 -1.7054 -1.4045 -1.4045 1.4175 1.4175 3.6797 3.6797 3.7171 3.7171 5.2126 5.2126 5.5728 5.5728 6.4330 6.4330 6.5824 6.5824 6.9446 6.9446 7.0191 7.0191 7.7966 7.7966 7.9593 7.9593 8.1408 8.1408 8.2832 8.2832 8.5789 8.5789 8.7413 8.7413 9.2146 9.2146 9.7672 9.7672 11.4827 11.4827 12.8224 12.8224 13.3154 13.3154 14.8782 14.8782 k = 0.4726 0.4170 0.4235 ( 2701 PWs) bands (ev): -2.8914 -2.8914 -1.7118 -1.7118 -1.3909 -1.3909 1.4155 1.4155 3.6616 3.6616 3.7199 3.7199 5.2049 5.2049 5.5057 5.5057 6.4421 6.4421 6.5666 6.5666 6.9489 6.9489 7.0991 7.0991 7.7972 7.7972 7.9618 7.9618 8.1455 8.1455 8.2855 8.2855 8.5788 8.5788 8.7418 8.7418 9.2158 9.2158 9.7621 9.7621 11.4625 11.4625 12.8480 12.8480 13.3377 13.3377 14.9012 14.9012 k = 0.4781 0.4218 0.4136 ( 2701 PWs) bands (ev): -2.8865 -2.8865 -1.7508 -1.7508 -1.3446 -1.3446 1.4140 1.4140 3.6423 3.6423 3.7280 3.7280 5.1951 5.1951 5.4359 5.4359 6.4498 6.4498 6.5527 6.5527 6.9536 6.9536 7.1788 7.1788 7.7980 7.7980 7.9643 7.9643 8.1507 8.1507 8.2883 8.2883 8.5777 8.5777 8.7411 8.7411 9.2157 9.2157 9.7573 9.7573 11.4344 11.4344 12.8928 12.8928 13.3549 13.3549 14.8649 14.8649 k = 0.5328-0.5378 0.0543 ( 2704 PWs) bands (ev): -2.8945 -2.8945 -1.7054 -1.7054 -1.4045 -1.4045 1.4175 1.4175 3.6797 3.6797 3.7171 3.7171 5.2126 5.2126 5.5728 5.5728 6.4330 6.4330 6.5824 6.5824 6.9446 6.9446 7.0191 7.0191 7.7966 7.7966 7.9593 7.9593 8.1408 8.1408 8.2832 8.2832 8.5789 8.5789 8.7413 8.7413 9.2146 9.2146 9.7672 9.7672 11.4827 11.4827 12.8224 12.8224 13.3154 13.3154 14.8782 14.8782 k = 0.5282-0.5418 0.0436 ( 2698 PWs) bands (ev): -2.8845 -2.8845 -1.7165 -1.7165 -1.4079 -1.4079 1.4314 1.4314 3.6806 3.6806 3.7122 3.7122 5.1835 5.1835 5.6523 5.6523 6.4206 6.4206 6.5867 6.5867 6.9276 6.9276 6.9409 6.9409 7.7949 7.7949 7.9565 7.9565 8.1406 8.1406 8.2765 8.2765 8.5786 8.5786 8.7406 8.7406 9.2165 9.2165 9.7749 9.7749 11.4938 11.4938 12.8171 12.8171 13.4137 13.4137 14.8726 14.8726 k = 0.5237-0.5458 0.0329 ( 2696 PWs) bands (ev): -2.8761 -2.8761 -1.7264 -1.7264 -1.4098 -1.4098 1.4433 1.4433 3.6799 3.6799 3.7082 3.7082 5.1600 5.1600 5.7240 5.7240 6.4102 6.4102 6.5947 6.5947 6.8412 6.8412 6.9379 6.9379 7.7935 7.7935 7.9542 7.9542 8.1404 8.1404 8.2713 8.2713 8.5783 8.5783 8.7399 8.7399 9.2181 9.2181 9.7809 9.7809 11.5027 11.5027 12.8133 12.8133 13.5034 13.5034 14.8684 14.8684 k = 0.5191-0.5499 0.0222 ( 2696 PWs) bands (ev): -2.8694 -2.8694 -1.7350 -1.7350 -1.4102 -1.4102 1.4529 1.4529 3.6781 3.6781 3.7053 3.7053 5.1415 5.1415 5.7838 5.7838 6.4022 6.4022 6.6082 6.6082 6.7624 6.7624 6.9358 6.9358 7.7924 7.7924 7.9526 7.9526 8.1404 8.1404 8.2675 8.2675 8.5780 8.5780 8.7394 8.7394 9.2194 9.2194 9.7853 9.7853 11.5088 11.5088 12.8117 12.8117 13.5814 13.5814 14.8649 14.8649 k = 0.5145-0.5539 0.0115 ( 2696 PWs) bands (ev): -2.8644 -2.8644 -1.7421 -1.7421 -1.4090 -1.4090 1.4599 1.4599 3.6756 3.6756 3.7035 3.7035 5.1280 5.1280 5.8264 5.8264 6.3970 6.3970 6.6293 6.6293 6.6946 6.6946 6.9346 6.9346 7.7916 7.7916 7.9516 7.9516 8.1405 8.1405 8.2650 8.2650 8.5778 8.5778 8.7390 8.7390 9.2203 9.2203 9.7882 9.7882 11.5119 11.5119 12.8123 12.8123 13.6440 13.6440 14.8418 14.8418 k = 0.5100-0.5579 0.0008 ( 2694 PWs) bands (ev): -2.8612 -2.8612 -1.7480 -1.7480 -1.4063 -1.4063 1.4641 1.4641 3.6728 3.6728 3.7028 3.7028 5.1189 5.1189 5.8462 5.8462 6.3946 6.3946 6.6404 6.6404 6.6611 6.6611 6.9342 6.9342 7.7912 7.7912 7.9511 7.9511 8.1409 8.1409 8.2638 8.2638 8.5776 8.5776 8.7388 8.7388 9.2209 9.2209 9.7896 9.7896 11.5118 11.5118 12.8154 12.8154 13.6869 13.6869 14.8118 14.8118 k = 0.5054-0.5619-0.0099 ( 2692 PWs) bands (ev): -2.8596 -2.8596 -1.7524 -1.7524 -1.4021 -1.4021 1.4653 1.4653 3.6700 3.6700 3.7032 3.7032 5.1144 5.1144 5.8397 5.8397 6.3952 6.3952 6.6017 6.6017 6.7051 6.7051 6.9346 6.9346 7.7911 7.7911 7.9512 7.9512 8.1415 8.1415 8.2637 8.2637 8.5775 8.5775 8.7387 8.7387 9.2212 9.2212 9.7895 9.7895 11.5083 11.5083 12.8210 12.8210 13.7066 13.7066 14.7921 14.7921 k = 0.5054-0.5619-0.0099 ( 2692 PWs) bands (ev): -2.8596 -2.8596 -1.7524 -1.7524 -1.4021 -1.4021 1.4653 1.4653 3.6700 3.6700 3.7032 3.7032 5.1144 5.1144 5.8397 5.8397 6.3952 6.3952 6.6017 6.6017 6.7051 6.7051 6.9346 6.9346 7.7911 7.7911 7.9512 7.9512 8.1415 8.1415 8.2637 8.2637 8.5775 8.5775 8.7387 8.7387 9.2212 9.2212 9.7895 9.7895 11.5083 11.5083 12.8210 12.8210 13.7066 13.7066 14.7921 14.7921 k = 0.5000-0.5667 0.0000 ( 2692 PWs) bands (ev): -2.8606 -2.8606 -1.7337 -1.7337 -1.4208 -1.4208 1.4650 1.4650 3.6703 3.6703 3.7005 3.7005 5.1166 5.1166 5.8464 5.8464 6.3948 6.3948 6.6464 6.6464 6.6541 6.6541 6.9343 6.9343 7.7911 7.7911 7.9512 7.9512 8.1412 8.1412 8.2635 8.2635 8.5779 8.5779 8.7393 8.7393 9.2218 9.2218 9.7894 9.7894 11.5148 11.5148 12.8093 12.8093 13.7087 13.7087 14.7957 14.7957 k = 0.5000-0.5667 0.0000 ( 2692 PWs) bands (ev): -2.8606 -2.8606 -1.7337 -1.7337 -1.4208 -1.4208 1.4650 1.4650 3.6703 3.6703 3.7005 3.7005 5.1166 5.1166 5.8464 5.8464 6.3948 6.3948 6.6464 6.6464 6.6541 6.6541 6.9343 6.9343 7.7911 7.7911 7.9512 7.9512 8.1412 8.1412 8.2635 8.2635 8.5779 8.5779 8.7393 8.7393 9.2218 9.2218 9.7894 9.7894 11.5148 11.5148 12.8093 12.8093 13.7087 13.7087 14.7957 14.7957 k = 0.4912-0.5568 0.0000 ( 2694 PWs) bands (ev): -2.8631 -2.8631 -1.7326 -1.7326 -1.4196 -1.4196 1.4657 1.4657 3.6395 3.6395 3.7346 3.7346 5.1156 5.1156 5.8395 5.8395 6.3559 6.3559 6.6467 6.6467 6.7018 6.7018 6.9360 6.9360 7.7914 7.7914 7.9517 7.9517 8.1414 8.1414 8.2633 8.2633 8.5778 8.5778 8.7390 8.7390 9.2215 9.2215 9.7891 9.7891 11.5148 11.5148 12.8104 12.8104 13.7073 13.7073 14.7870 14.7870 k = 0.4825-0.5468 0.0000 ( 2690 PWs) bands (ev): -2.8705 -2.8705 -1.7293 -1.7293 -1.4160 -1.4160 1.4679 1.4679 3.6006 3.6006 3.7830 3.7830 5.1129 5.1129 5.8174 5.8174 6.2824 6.2824 6.6481 6.6481 6.8022 6.8022 6.9409 6.9409 7.7924 7.7924 7.9535 7.9535 8.1422 8.1422 8.2629 8.2629 8.5773 8.5773 8.7382 8.7382 9.2207 9.2207 9.7881 9.7881 11.5148 11.5148 12.8136 12.8136 13.7029 13.7029 14.7627 14.7627 k = 0.4737-0.5369 0.0000 ( 2690 PWs) bands (ev): -2.8829 -2.8829 -1.7238 -1.7238 -1.4101 -1.4101 1.4715 1.4715 3.5646 3.5646 3.8347 3.8347 5.1086 5.1086 5.7769 5.7769 6.2131 6.2131 6.6503 6.6503 6.9196 6.9196 6.9495 6.9495 7.7941 7.7941 7.9562 7.9562 8.1436 8.1436 8.2622 8.2622 8.5765 8.5765 8.7368 8.7368 9.2194 9.2194 9.7864 9.7864 11.5148 11.5148 12.8190 12.8190 13.6955 13.6955 14.7254 14.7254 k = 0.4649-0.5269 0.0000 ( 2688 PWs) bands (ev): -2.9000 -2.9000 -1.7162 -1.7162 -1.4020 -1.4020 1.4766 1.4766 3.5321 3.5321 3.8887 3.8887 5.1033 5.1033 5.7156 5.7156 6.1601 6.1601 6.6533 6.6533 6.9597 6.9597 7.0459 7.0459 7.7965 7.7965 7.9602 7.9602 8.1454 8.1454 8.2613 8.2613 8.5754 8.5754 8.7349 8.7349 9.2175 9.2175 9.7841 9.7841 11.5151 11.5151 12.8265 12.8265 13.6851 13.6851 14.6768 14.6768 k = 0.4561-0.5170 0.0000 ( 2691 PWs) bands (ev): -2.9215 -2.9215 -1.7063 -1.7063 -1.3918 -1.3918 1.4832 1.4832 3.5033 3.5033 3.9440 3.9440 5.0979 5.0979 5.6358 5.6358 6.1248 6.1248 6.6568 6.6568 6.9738 6.9738 7.1745 7.1745 7.7997 7.7997 7.9650 7.9650 8.1475 8.1475 8.2605 8.2605 8.5740 8.5740 8.7324 8.7324 9.2150 9.2150 9.7812 9.7812 11.5157 11.5157 12.8359 12.8359 13.6716 13.6716 14.6176 14.6176 k = 0.4474-0.5071 0.0000 ( 2693 PWs) bands (ev): -2.9474 -2.9474 -1.6944 -1.6944 -1.3797 -1.3797 1.4911 1.4911 3.4783 3.4783 3.9997 3.9997 5.0933 5.0933 5.5429 5.5429 6.1034 6.1034 6.6608 6.6608 6.9906 6.9906 7.3046 7.3046 7.8039 7.8039 7.9709 7.9709 8.1499 8.1499 8.2599 8.2599 8.5723 8.5723 8.7293 8.7293 9.2119 9.2119 9.7774 9.7774 11.5170 11.5170 12.8473 12.8473 13.6551 13.6551 14.5484 14.5484 k = 0.4386-0.4971 0.0000 ( 2697 PWs) bands (ev): -2.9772 -2.9772 -1.6802 -1.6802 -1.3658 -1.3658 1.5004 1.5004 3.4571 3.4571 4.0549 4.0549 5.0906 5.0906 5.4422 5.4422 6.0914 6.0914 6.6651 6.6651 7.0098 7.0098 7.4342 7.4342 7.8101 7.8101 7.9776 7.9776 8.1523 8.1523 8.2598 8.2598 8.5705 8.5705 8.7256 8.7256 9.2081 9.2081 9.7730 9.7730 11.5191 11.5191 12.8604 12.8604 13.6353 13.6353 14.4697 14.4697 k = 0.4298-0.4872 0.0000 ( 2699 PWs) bands (ev): -3.0107 -3.0107 -1.6640 -1.6640 -1.3502 -1.3502 1.5111 1.5111 3.4397 3.4397 4.1082 4.1082 5.0915 5.0915 5.3375 5.3375 6.0855 6.0855 6.6697 6.6697 7.0313 7.0313 7.5598 7.5598 7.8205 7.8205 7.9850 7.9850 8.1547 8.1547 8.2607 8.2607 8.5685 8.5685 8.7214 8.7214 9.2036 9.2036 9.7677 9.7677 11.5224 11.5224 12.8750 12.8750 13.6123 13.6123 14.3822 14.3822 k = 0.4211-0.4772 0.0000 ( 2697 PWs) bands (ev): -3.0475 -3.0475 -1.6457 -1.6457 -1.3333 -1.3333 1.5231 1.5231 3.4261 3.4261 4.1581 4.1581 5.0974 5.0974 5.2315 5.2315 6.0836 6.0836 6.6744 6.6744 7.0546 7.0546 7.6719 7.6719 7.8437 7.8437 7.9930 7.9930 8.1567 8.1567 8.2631 8.2631 8.5667 8.5667 8.7167 8.7167 9.1984 9.1984 9.7616 9.7616 11.5273 11.5273 12.8910 12.8910 13.5859 13.5859 14.2865 14.2865 k = 0.4123-0.4673 0.0000 ( 2697 PWs) bands (ev): -3.0874 -3.0874 -1.6254 -1.6254 -1.3150 -1.3150 1.5364 1.5364 3.4161 3.4161 4.2030 4.2030 5.1086 5.1086 5.1269 5.1269 6.0847 6.0847 6.6792 6.6792 7.0796 7.0796 7.7448 7.7448 7.9034 7.9034 8.0016 8.0016 8.1584 8.1584 8.2677 8.2677 8.5651 8.5651 8.7115 8.7115 9.1922 9.1922 9.7546 9.7546 11.5340 11.5340 12.9081 12.9081 13.5562 13.5562 14.1837 14.1837 k = 0.4035-0.4574 0.0000 ( 2697 PWs) bands (ev): -3.1301 -3.1301 -1.6030 -1.6030 -1.2956 -1.2956 1.5509 1.5509 3.4099 3.4099 4.2414 4.2414 5.0197 5.0197 5.1318 5.1318 6.0878 6.0878 6.6841 6.6841 7.1060 7.1060 7.7735 7.7735 7.9953 7.9953 8.0166 8.0166 8.1614 8.1614 8.2752 8.2752 8.5642 8.5642 8.7058 8.7058 9.1852 9.1852 9.7467 9.7467 11.5431 11.5431 12.9259 12.9259 13.5230 13.5230 14.0750 14.0750 k = 0.3947-0.4474 0.0000 ( 2699 PWs) bands (ev): -3.1752 -3.1752 -1.5787 -1.5787 -1.2752 -1.2752 1.5667 1.5667 3.4072 3.4072 4.2722 4.2722 4.9164 4.9164 5.1623 5.1623 6.0924 6.0924 6.6893 6.6893 7.1334 7.1334 7.7849 7.7849 8.0150 8.0150 8.1001 8.1001 8.1780 8.1780 8.2875 8.2875 8.5647 8.5647 8.6997 8.6997 9.1772 9.1772 9.7377 9.7377 11.5547 11.5547 12.9438 12.9438 13.4864 13.4864 13.9617 13.9617 k = 0.3860-0.4375 0.0000 ( 2701 PWs) bands (ev): -3.2224 -3.2224 -1.5525 -1.5525 -1.2540 -1.2540 1.5835 1.5835 3.4080 3.4080 4.2949 4.2949 4.8153 4.8153 5.2027 5.2027 6.0983 6.0983 6.6946 6.6946 7.1618 7.1618 7.7906 7.7906 8.0224 8.0224 8.1319 8.1319 8.2443 8.2443 8.3136 8.3136 8.5686 8.5686 8.6935 8.6935 9.1682 9.1682 9.7277 9.7277 11.5693 11.5693 12.9613 12.9613 13.4464 13.4464 13.8457 13.8457 k = 0.3772-0.4275 0.0000 ( 2701 PWs) bands (ev): -3.2715 -3.2715 -1.5244 -1.5244 -1.2320 -1.2320 1.6014 1.6014 3.4123 3.4123 4.3096 4.3096 4.7167 4.7167 5.2527 5.2527 6.1053 6.1053 6.7004 6.7004 7.1909 7.1909 7.7937 7.7937 8.0285 8.0285 8.1329 8.1329 8.2903 8.2903 8.3817 8.3817 8.5814 8.5814 8.6879 8.6879 9.1583 9.1583 9.7165 9.7165 11.5871 11.5871 12.9771 12.9771 13.4029 13.4029 13.7289 13.7289 k = 0.3684-0.4176 0.0000 ( 2701 PWs) bands (ev): -3.3222 -3.3222 -1.4945 -1.4945 -1.2093 -1.2093 1.6204 1.6204 3.4199 3.4199 4.3172 4.3172 4.6211 4.6211 5.3112 5.3112 6.1132 6.1132 6.7067 6.7067 7.2204 7.2204 7.7952 7.7952 8.0330 8.0330 8.1286 8.1286 8.3135 8.3135 8.4512 8.4512 8.6147 8.6147 8.6871 8.6871 9.1475 9.1475 9.7041 9.7041 11.6085 11.6085 12.9895 12.9895 13.3562 13.3562 13.6144 13.6144 k = 0.3596-0.4076 0.0000 ( 2705 PWs) bands (ev): -3.3743 -3.3743 -1.4629 -1.4629 -1.1862 -1.1862 1.6402 1.6402 3.4308 3.4308 4.3189 4.3189 4.5286 4.5286 5.3766 5.3766 6.1219 6.1219 6.7137 6.7137 7.2503 7.2503 7.7952 7.7952 8.0359 8.0359 8.1222 8.1222 8.3345 8.3345 8.4851 8.4851 8.6487 8.6487 8.7225 8.7225 9.1360 9.1360 9.6907 9.6907 11.6336 11.6336 12.9950 12.9950 13.3062 13.3062 13.5062 13.5062 k = 0.3509-0.3977 0.0000 ( 2707 PWs) bands (ev): -3.4274 -3.4274 -1.4296 -1.4296 -1.1626 -1.1626 1.6610 1.6610 3.4450 3.4450 4.3160 4.3160 4.4397 4.4397 5.4472 5.4472 6.1313 6.1313 6.7217 6.7217 7.2804 7.2804 7.7940 7.7940 8.0369 8.0369 8.1147 8.1147 8.3562 8.3562 8.4963 8.4963 8.6496 8.6496 8.8100 8.8100 9.1239 9.1239 9.6761 9.6761 11.6625 11.6625 12.9877 12.9877 13.2533 13.2533 13.4115 13.4115 k = 0.3421-0.3878 0.0000 ( 2701 PWs) bands (ev): -3.4814 -3.4814 -1.3947 -1.3947 -1.1387 -1.1387 1.6824 1.6824 3.4622 3.4622 4.3095 4.3095 4.3546 4.3546 5.5213 5.5213 6.1413 6.1413 6.7311 6.7311 7.3106 7.3106 7.7916 7.7916 8.0360 8.0360 8.1064 8.1064 8.3788 8.3788 8.4993 8.4993 8.6433 8.6433 8.9073 8.9073 9.1119 9.1119 9.6608 9.6608 11.6951 11.6951 12.9585 12.9585 13.1978 13.1978 13.3398 13.3398 k = 0.3333-0.3778 0.0000 ( 2705 PWs) bands (ev): -3.5361 -3.5361 -1.3584 -1.3584 -1.1146 -1.1146 1.7046 1.7046 3.4826 3.4826 4.2721 4.2721 4.3022 4.3022 5.5969 5.5969 6.1517 6.1517 6.7423 6.7423 7.3407 7.3407 7.7878 7.7878 8.0329 8.0329 8.0973 8.0973 8.4013 8.4013 8.4990 8.4990 8.6358 8.6358 9.0009 9.0009 9.1011 9.1011 9.6454 9.6454 11.7313 11.7313 12.9015 12.9015 13.1403 13.1403 13.2979 13.2979 k = 0.3246-0.3679 0.0000 ( 2705 PWs) bands (ev): -3.5912 -3.5912 -1.3206 -1.3206 -1.0902 -1.0902 1.7273 1.7273 3.5059 3.5059 4.1952 4.1952 4.2922 4.2922 5.6724 5.6724 6.1626 6.1626 6.7558 6.7558 7.3704 7.3704 7.7824 7.7824 8.0278 8.0278 8.0878 8.0878 8.4219 8.4219 8.4983 8.4983 8.6290 8.6290 9.0713 9.0713 9.1065 9.1065 9.6310 9.6310 11.7707 11.7707 12.8212 12.8212 13.0812 13.0812 13.2819 13.2819 k = 0.3158-0.3579 0.0000 ( 2699 PWs) bands (ev): -3.6465 -3.6465 -1.2815 -1.2815 -1.0658 -1.0658 1.7505 1.7505 3.5322 3.5322 4.1222 4.1222 4.2821 4.2821 5.7462 5.7462 6.1740 6.1740 6.7720 6.7720 7.3997 7.3997 7.7752 7.7752 8.0208 8.0208 8.0776 8.0776 8.4375 8.4375 8.4995 8.4995 8.6240 8.6240 9.0730 9.0730 9.1698 9.1698 9.6202 9.6202 11.8127 11.8127 12.7282 12.7282 13.0214 13.0214 13.2821 13.2821 k = 0.3070-0.3480 0.0000 ( 2699 PWs) bands (ev): -3.7020 -3.7020 -1.2413 -1.2413 -1.0414 -1.0414 1.7741 1.7741 3.5614 3.5614 4.0536 4.0536 4.2723 4.2723 5.8167 5.8167 6.1857 6.1857 6.7916 6.7916 7.4283 7.4283 7.7658 7.7658 8.0120 8.0120 8.0665 8.0665 8.4439 8.4439 8.5046 8.5046 8.6225 8.6225 9.0668 9.0668 9.2262 9.2262 9.6164 9.6164 11.8565 11.8565 12.6301 12.6301 12.9622 12.9622 13.2907 13.2907 k = 0.2982-0.3380 0.0000 ( 2701 PWs) bands (ev): -3.7573 -3.7573 -1.2000 -1.2000 -1.0171 -1.0171 1.7980 1.7980 3.5934 3.5934 3.9897 3.9897 4.2633 4.2633 5.8825 5.8825 6.1976 6.1976 6.8151 6.8151 7.4560 7.4560 7.7540 7.7540 8.0018 8.0018 8.0546 8.0546 8.4409 8.4409 8.5116 8.5116 8.6261 8.6261 9.0632 9.0632 9.2606 9.2606 9.6244 9.6244 11.9009 11.9009 12.5314 12.5314 12.9054 12.9054 13.3036 13.3036 k = 0.2895-0.3281 0.0000 ( 2697 PWs) bands (ev): -3.8123 -3.8123 -1.1578 -1.1578 -0.9929 -0.9929 1.8220 1.8220 3.6282 3.6282 3.9307 3.9307 4.2555 4.2555 5.9424 5.9424 6.2099 6.2099 6.8430 6.8430 7.4826 7.4826 7.7395 7.7395 7.9903 7.9903 8.0416 8.0416 8.4317 8.4317 8.5162 8.5162 8.6348 8.6348 9.0642 9.0642 9.2700 9.2700 9.6457 9.6457 11.9440 11.9440 12.4341 12.4341 12.8532 12.8532 13.3186 13.3186 k = 0.2807-0.3182 0.0000 ( 2695 PWs) bands (ev): -3.8670 -3.8670 -1.1147 -1.1147 -0.9690 -0.9690 1.8462 1.8462 3.6658 3.6658 3.8767 3.8767 4.2493 4.2493 5.9955 5.9955 6.2223 6.2223 6.8753 6.8753 7.5077 7.5077 7.7218 7.7218 7.9776 7.9776 8.0277 8.0277 8.4184 8.4184 8.5175 8.5175 8.6465 8.6465 9.0709 9.0709 9.2574 9.2574 9.6771 9.6771 11.9836 11.9836 12.3391 12.3391 12.8088 12.8088 13.3345 13.3345 k = 0.2719-0.3082 0.0000 ( 2695 PWs) bands (ev): -3.9211 -3.9211 -1.0711 -1.0711 -0.9454 -0.9454 1.8703 1.8703 3.7060 3.7060 3.8278 3.8278 4.2449 4.2449 6.0412 6.0412 6.2350 6.2350 6.9119 6.9119 7.5309 7.5309 7.7005 7.7005 7.9637 7.9637 8.0131 8.0131 8.4023 8.4023 8.5163 8.5163 8.6582 8.6582 9.0837 9.0837 9.2289 9.2289 9.7127 9.7127 12.0170 12.0170 12.2468 12.2468 12.7757 12.7757 13.3508 13.3508 k = 0.2632-0.2983 0.0000 ( 2695 PWs) bands (ev): -3.9745 -3.9745 -1.0270 -1.0270 -0.9221 -0.9221 1.8945 1.8945 3.7489 3.7489 3.7843 3.7843 4.2427 4.2427 6.0795 6.0795 6.2478 6.2478 6.9523 6.9523 7.5518 7.5518 7.6753 7.6753 7.9488 7.9488 7.9980 7.9980 8.3841 8.3841 8.5138 8.5138 8.6674 8.6674 9.1007 9.1007 9.1914 9.1914 9.7481 9.7481 12.0413 12.0413 12.1569 12.1569 12.7578 12.7578 13.3673 13.3673 k = 0.2544-0.2883 0.0000 ( 2689 PWs) bands (ev): -4.0271 -4.0271 -0.9826 -0.9826 -0.8993 -0.8993 1.9186 1.9186 3.7461 3.7461 3.7945 3.7945 4.2427 4.2427 6.1106 6.1106 6.2606 6.2606 6.9954 6.9954 7.5693 7.5693 7.6460 7.6460 7.9330 7.9330 7.9831 7.9831 8.3647 8.3647 8.5107 8.5107 8.6732 8.6732 9.1062 9.1062 9.1632 9.1632 9.7807 9.7807 12.0536 12.0536 12.0705 12.0705 12.7580 12.7580 13.3837 13.3837 k = 0.2456-0.2784 0.0000 ( 2693 PWs) bands (ev): -4.0788 -4.0788 -0.9381 -0.9381 -0.8769 -0.8769 1.9426 1.9426 3.7135 3.7135 3.8426 3.8426 4.2453 4.2453 6.1350 6.1350 6.2735 6.2735 7.0399 7.0399 7.5804 7.5804 7.6146 7.6146 7.9166 7.9166 7.9688 7.9688 8.3445 8.3445 8.5074 8.5074 8.6754 8.6754 9.0678 9.0678 9.1772 9.1772 9.8091 9.8091 11.9821 11.9821 12.0597 12.0597 12.7770 12.7770 13.3990 13.3990 k = 0.2368-0.2684 0.0000 ( 2695 PWs) bands (ev): -4.1294 -4.1294 -0.8938 -0.8938 -0.8552 -0.8552 1.9666 1.9666 3.6863 3.6863 3.8934 3.8934 4.2504 4.2504 6.1536 6.1536 6.2864 6.2864 7.0842 7.0842 7.5622 7.5622 7.6028 7.6028 7.9007 7.9007 7.9553 7.9553 8.3243 8.3243 8.5039 8.5039 8.6744 8.6744 9.0115 9.0115 9.2070 9.2070 9.8331 9.8331 11.8973 11.8973 12.0570 12.0570 12.8131 12.8131 13.4114 13.4114 k = 0.2281-0.2585 0.0000 ( 2695 PWs) bands (ev): -4.1790 -4.1790 -0.8498 -0.8498 -0.8339 -0.8339 1.9907 1.9907 3.6646 3.6646 3.9467 3.9467 4.2583 4.2583 6.1670 6.1670 6.2992 6.2992 7.1264 7.1264 7.5183 7.5183 7.6059 7.6059 7.8867 7.8867 7.9427 7.9427 8.3043 8.3043 8.5002 8.5002 8.6709 8.6709 8.9504 8.9504 9.2387 9.2387 9.8528 9.8528 11.8137 11.8137 12.0530 12.0530 12.8631 12.8631 13.4189 13.4189 k = 0.2193-0.2486 0.0000 ( 2695 PWs) bands (ev): -4.2273 -4.2273 -0.8142 -0.8142 -0.8054 -0.8054 2.0149 2.0149 3.6482 3.6482 4.0025 4.0025 4.2689 4.2689 6.1762 6.1762 6.3120 6.3120 7.1640 7.1640 7.4661 7.4661 7.6062 7.6062 7.8758 7.8758 7.9310 7.9310 8.2849 8.2849 8.4963 8.4963 8.6654 8.6654 8.8877 8.8877 9.2682 9.2682 9.8686 9.8686 11.7312 11.7312 12.0525 12.0525 12.9235 12.9235 13.4213 13.4213 k = 0.2105-0.2386 0.0000 ( 2697 PWs) bands (ev): -4.2743 -4.2743 -0.7941 -0.7941 -0.7629 -0.7629 2.0394 2.0394 3.6371 3.6371 4.0608 4.0608 4.2823 4.2823 6.1817 6.1817 6.3248 6.3248 7.1944 7.1944 7.4071 7.4071 7.6032 7.6032 7.8690 7.8690 7.9202 7.9202 8.2661 8.2661 8.4917 8.4917 8.6582 8.6582 8.8253 8.8253 9.2931 9.2931 9.8809 9.8809 11.6502 11.6502 12.0603 12.0603 12.9913 12.9913 13.4197 13.4197 k = 0.2018-0.2287 0.0000 ( 2697 PWs) bands (ev): -4.3199 -4.3199 -0.7751 -0.7751 -0.7209 -0.7209 2.0645 2.0645 3.6310 3.6310 4.1216 4.1216 4.2987 4.2987 6.1842 6.1842 6.3374 6.3374 7.2140 7.2140 7.3421 7.3421 7.5991 7.5991 7.8659 7.8659 7.9101 7.9101 8.2480 8.2480 8.4861 8.4861 8.6490 8.6490 8.7656 8.7656 9.3115 9.3115 9.8902 9.8902 11.5707 11.5707 12.0798 12.0798 13.0639 13.0639 13.4149 13.4149 k = 0.1930-0.2187 0.0000 ( 2703 PWs) bands (ev): -4.3641 -4.3641 -0.7569 -0.7569 -0.6800 -0.6800 2.0902 2.0902 3.6297 3.6297 4.1848 4.1848 4.3179 4.3179 6.1841 6.1841 6.3499 6.3499 7.2173 7.2173 7.2738 7.2738 7.5973 7.5973 7.8652 7.8652 7.9009 7.9009 8.2302 8.2302 8.4787 8.4787 8.6361 8.6361 8.7124 8.7124 9.3226 9.3226 9.8970 9.8970 11.4933 11.4933 12.1138 12.1138 13.1390 13.1390 13.4077 13.4077 k = 0.1842-0.2088 0.0000 ( 2701 PWs) bands (ev): -4.4067 -4.4067 -0.7396 -0.7396 -0.6404 -0.6404 2.1169 2.1169 3.6329 3.6329 4.2503 4.2503 4.3401 4.3401 6.1818 6.1818 6.3623 6.3623 7.1780 7.1780 7.2275 7.2275 7.6003 7.6003 7.8647 7.8647 7.8932 7.8932 8.2125 8.2125 8.4679 8.4679 8.6141 8.6141 8.6738 8.6738 9.3261 9.3261 9.9017 9.9017 11.4181 11.4181 12.1636 12.1636 13.2141 13.2141 13.3983 13.3983 k = 0.1754-0.1988 0.0000 ( 2701 PWs) bands (ev): -4.4478 -4.4478 -0.7231 -0.7231 -0.6023 -0.6023 2.1447 2.1447 3.6402 3.6402 4.3174 4.3174 4.3657 4.3657 6.1776 6.1776 6.3746 6.3746 7.0987 7.0987 7.2013 7.2013 7.6086 7.6086 7.8621 7.8621 7.8878 7.8878 8.1945 8.1945 8.4506 8.4506 8.5830 8.5830 8.6537 8.6537 9.3225 9.3225 9.9047 9.9047 11.3456 11.3456 12.2300 12.2300 13.2853 13.2853 13.3870 13.3870 k = 0.1667-0.1889 0.0000 ( 2701 PWs) bands (ev): -4.4871 -4.4871 -0.7076 -0.7076 -0.5659 -0.5659 2.1739 2.1739 3.6512 3.6512 4.3800 4.3800 4.4011 4.4011 6.1717 6.1717 6.3867 6.3867 7.0101 7.0101 7.1677 7.1677 7.6207 7.6207 7.8560 7.8560 7.8841 7.8841 8.1755 8.1755 8.4236 8.4236 8.5556 8.5556 8.6433 8.6433 9.3133 9.3133 9.9063 9.9063 11.2762 11.2762 12.3126 12.3126 13.3448 13.3448 13.3746 13.3746 k = 0.1579-0.1790 0.0000 ( 2703 PWs) bands (ev): -4.5248 -4.5248 -0.6929 -0.6929 -0.5314 -0.5314 2.2046 2.2046 3.6655 3.6655 4.4178 4.4178 4.4661 4.4661 6.1644 6.1644 6.3985 6.3985 6.9166 6.9166 7.1261 7.1261 7.6347 7.6347 7.8473 7.8473 7.8797 7.8797 8.1553 8.1553 8.3870 8.3870 8.5381 8.5381 8.6371 8.6371 9.3001 9.3001 9.9068 9.9068 11.2101 11.2101 12.4104 12.4104 13.3576 13.3576 13.3808 13.3808 k = 0.1491-0.1690 0.0000 ( 2701 PWs) bands (ev): -4.5607 -4.5607 -0.6790 -0.6790 -0.4988 -0.4988 2.2370 2.2370 3.6828 3.6828 4.4511 4.4511 4.5404 4.5404 6.1556 6.1556 6.4100 6.4100 6.8196 6.8196 7.0788 7.0788 7.6483 7.6483 7.8367 7.8367 7.8720 7.8720 8.1338 8.1338 8.3449 8.3449 8.5287 8.5287 8.6335 8.6335 9.2852 9.2852 9.9064 9.9064 11.1476 11.1476 12.5221 12.5221 13.3422 13.3422 13.3673 13.3673 k = 0.1404-0.1591 0.0000 ( 2699 PWs) bands (ev): -4.5948 -4.5948 -0.6661 -0.6661 -0.4682 -0.4682 2.2712 2.2712 3.7024 3.7024 4.4860 4.4860 4.6177 4.6177 6.1455 6.1455 6.4208 6.4208 6.7205 6.7205 7.0278 7.0278 7.6601 7.6601 7.8241 7.8241 7.8591 7.8591 8.1117 8.1117 8.3011 8.3011 8.5242 8.5242 8.6321 8.6321 9.2705 9.2705 9.9053 9.9053 11.0890 11.0890 12.6456 12.6456 13.3098 13.3098 13.3268 13.3268 k = 0.1316-0.1491 0.0000 ( 2697 PWs) bands (ev): -4.6270 -4.6270 -0.6541 -0.6541 -0.4398 -0.4398 2.3072 2.3072 3.7240 3.7240 4.5228 4.5228 4.6973 4.6973 6.1340 6.1340 6.4299 6.4299 6.6212 6.6212 6.9745 6.9745 7.6678 7.6678 7.8088 7.8088 7.8410 7.8410 8.0904 8.0904 8.2580 8.2580 8.5227 8.5227 8.6326 8.6326 9.2579 9.2579 9.9038 9.9038 11.0343 11.0343 12.7781 12.7781 13.2335 13.2335 13.3088 13.3088 k = 0.1228-0.1392 0.0000 ( 2693 PWs) bands (ev): -4.6573 -4.6573 -0.6430 -0.6430 -0.4136 -0.4136 2.3450 2.3450 3.7471 3.7471 4.5614 4.5614 4.7791 4.7791 6.1211 6.1211 6.4316 6.4316 6.5286 6.5286 6.9202 6.9202 7.6679 7.6679 7.7893 7.7893 7.8201 7.8201 8.0711 8.0711 8.2169 8.2169 8.5229 8.5229 8.6347 8.6347 9.2488 9.2488 9.9018 9.9018 10.9837 10.9837 12.9123 12.9123 13.1554 13.1554 13.2909 13.2909 k = 0.1140-0.1293 0.0000 ( 2691 PWs) bands (ev): -4.6857 -4.6857 -0.6327 -0.6327 -0.3896 -0.3896 2.3842 2.3842 3.7712 3.7712 4.6017 4.6017 4.8629 4.8629 6.1066 6.1066 6.3887 6.3887 6.4809 6.4809 6.8661 6.8661 7.6526 7.6526 7.7687 7.7687 7.8003 7.8003 8.0547 8.0547 8.1789 8.1789 8.5242 8.5242 8.6381 8.6381 9.2442 9.2442 9.8995 9.8995 10.9372 10.9372 12.9933 12.9933 13.1355 13.1355 13.2731 13.2731 k = 0.1053-0.1193 0.0000 ( 2689 PWs) bands (ev): -4.7121 -4.7121 -0.6234 -0.6234 -0.3678 -0.3678 2.4248 2.4248 3.7958 3.7958 4.6434 4.6434 4.9485 4.9485 6.0904 6.0904 6.2990 6.2990 6.4812 6.4812 6.8130 6.8130 7.6138 7.6138 7.7551 7.7551 7.7821 7.7821 8.0412 8.0412 8.1449 8.1449 8.5260 8.5260 8.6421 8.6421 9.2445 9.2445 9.8971 9.8971 10.8948 10.8948 12.9390 12.9390 13.2533 13.2533 13.2585 13.2585 k = 0.0965-0.1094 0.0000 ( 2687 PWs) bands (ev): -4.7365 -4.7365 -0.6148 -0.6148 -0.3481 -0.3481 2.4663 2.4663 3.8205 3.8205 4.6861 4.6861 5.0356 5.0356 6.0721 6.0721 6.2036 6.2036 6.4895 6.4895 6.7619 6.7619 7.5538 7.5538 7.7462 7.7462 7.7668 7.7668 8.0300 8.0300 8.1153 8.1153 8.5279 8.5279 8.6465 8.6465 9.2496 9.2496 9.8947 9.8947 10.8564 10.8564 12.8590 12.8590 13.2382 13.2382 13.4081 13.4081 k = 0.0877-0.0994 0.0000 ( 2683 PWs) bands (ev): -4.7588 -4.7588 -0.6071 -0.6071 -0.3306 -0.3306 2.5083 2.5083 3.8447 3.8447 4.7295 4.7295 5.1240 5.1240 6.0506 6.0506 6.1112 6.1112 6.4994 6.4994 6.7135 6.7135 7.4801 7.4801 7.7311 7.7311 7.7603 7.7603 8.0202 8.0202 8.0908 8.0908 8.5297 8.5297 8.6507 8.6507 9.2590 9.2590 9.8922 9.8922 10.8220 10.8220 12.7787 12.7787 13.2218 13.2218 13.5632 13.5632 k = 0.0789-0.0895 0.0000 ( 2685 PWs) bands (ev): -4.7792 -4.7792 -0.6002 -0.6002 -0.3151 -0.3151 2.5501 2.5501 3.8682 3.8682 4.7731 4.7731 5.2132 5.2132 6.0085 6.0085 6.0412 6.0412 6.5095 6.5095 6.6686 6.6686 7.3978 7.3978 7.7101 7.7101 7.7598 7.7598 8.0111 8.0111 8.0714 8.0714 8.5315 8.5315 8.6545 8.6545 9.2721 9.2721 9.8899 9.8899 10.7914 10.7914 12.7019 12.7019 13.2064 13.2064 13.7157 13.7157 k = 0.0702-0.0795 0.0000 ( 2693 PWs) bands (ev): -4.7974 -4.7974 -0.5941 -0.5941 -0.3016 -0.3016 2.5911 2.5911 3.8904 3.8904 4.8164 4.8164 5.3026 5.3026 5.9288 5.9288 6.0121 6.0121 6.5194 6.5194 6.6278 6.6278 7.3103 7.3103 7.6870 7.6870 7.7607 7.7607 8.0024 8.0024 8.0568 8.0568 8.5329 8.5329 8.6578 8.6578 9.2877 9.2877 9.8876 9.8876 10.7645 10.7645 12.6302 12.6302 13.1920 13.1920 13.8610 13.8610 k = 0.0614-0.0696 0.0000 ( 2691 PWs) bands (ev): -4.8135 -4.8135 -0.5888 -0.5888 -0.2899 -0.2899 2.6305 2.6305 3.9110 3.9110 4.8588 4.8588 5.3915 5.3915 5.8506 5.8506 5.9865 5.9865 6.5288 6.5288 6.5918 6.5918 7.2201 7.2201 7.6634 7.6634 7.7618 7.7618 7.9941 7.9941 8.0463 8.0463 8.5343 8.5343 8.6605 8.6605 9.3049 9.3049 9.8857 9.8857 10.7413 10.7413 12.5646 12.5646 13.1790 13.1790 13.9947 13.9947 k = 0.0526-0.0597 0.0000 ( 2689 PWs) bands (ev): -4.8276 -4.8276 -0.5842 -0.5842 -0.2800 -0.2800 2.6673 2.6673 3.9296 3.9296 4.8993 4.8993 5.4787 5.4787 5.7793 5.7793 5.9607 5.9607 6.5367 6.5367 6.5616 6.5616 7.1296 7.1296 7.6404 7.6404 7.7629 7.7629 7.9867 7.9867 8.0390 8.0390 8.5355 8.5355 8.6627 8.6627 9.3225 9.3225 9.8839 9.8839 10.7214 10.7214 12.5058 12.5058 13.1674 13.1674 14.0567 14.0567 k = 0.0439-0.0497 0.0000 ( 2689 PWs) bands (ev): -4.8394 -4.8394 -0.5803 -0.5803 -0.2719 -0.2719 2.7008 2.7008 3.9458 3.9458 4.9370 4.9370 5.5626 5.5626 5.7166 5.7166 5.9351 5.9351 6.5312 6.5312 6.5489 6.5489 7.0414 7.0414 7.6190 7.6190 7.7638 7.7638 7.9803 7.9803 8.0339 8.0339 8.5365 8.5365 8.6643 8.6643 9.3395 9.3395 9.8824 9.8824 10.7049 10.7049 12.4547 12.4547 13.1574 13.1574 14.0538 14.0538 k = 0.0351-0.0398 0.0000 ( 2677 PWs) bands (ev): -4.8492 -4.8492 -0.5772 -0.5772 -0.2653 -0.2653 2.7299 2.7299 3.9595 3.9595 4.9708 4.9708 5.6381 5.6381 5.6665 5.6665 5.9108 5.9108 6.5119 6.5119 6.5543 6.5543 6.9585 6.9585 7.6001 7.6001 7.7645 7.7645 7.9751 7.9751 8.0304 8.0304 8.5374 8.5374 8.6656 8.6656 9.3549 9.3549 9.8811 9.8811 10.6916 10.6916 12.4119 12.4119 13.1490 13.1490 14.0513 14.0513 k = 0.0263-0.0298 0.0000 ( 2675 PWs) bands (ev): -4.8568 -4.8568 -0.5748 -0.5748 -0.2602 -0.2602 2.7537 2.7537 3.9704 3.9704 4.9993 4.9993 5.6188 5.6188 5.7131 5.7131 5.8893 5.8893 6.4964 6.4964 6.5596 6.5596 6.8847 6.8847 7.5846 7.5846 7.7649 7.7649 7.9712 7.9712 8.0280 8.0280 8.5380 8.5380 8.6665 8.6665 9.3678 9.3678 9.8802 9.8802 10.6813 10.6813 12.3779 12.3779 13.1425 13.1425 14.0494 14.0494 k = 0.0175-0.0199 0.0000 ( 2675 PWs) bands (ev): -4.8622 -4.8622 -0.5731 -0.5731 -0.2567 -0.2567 2.7713 2.7713 3.9782 3.9782 5.0210 5.0210 5.5881 5.5881 5.7696 5.7696 5.8719 5.8719 6.4855 6.4855 6.5635 6.5635 6.8252 6.8252 7.5730 7.5730 7.7652 7.7652 7.9684 7.9684 8.0264 8.0264 8.5386 8.5386 8.6670 8.6670 9.3775 9.3775 9.8794 9.8794 10.6740 10.6740 12.3532 12.3532 13.1377 13.1377 14.0480 14.0480 k = 0.0088-0.0099 0.0000 ( 2675 PWs) bands (ev): -4.8655 -4.8655 -0.5720 -0.5720 -0.2546 -0.2546 2.7822 2.7822 3.9830 3.9830 5.0347 5.0347 5.5692 5.5692 5.8084 5.8084 5.8595 5.8595 6.4792 6.4792 6.5659 6.5659 6.7858 6.7858 7.5658 7.5658 7.7654 7.7654 7.9668 7.9668 8.0256 8.0256 8.5389 8.5389 8.6674 8.6674 9.3835 9.3835 9.8790 9.8790 10.6697 10.6697 12.3383 12.3383 13.1349 13.1349 14.0472 14.0472 k = 0.0000 0.0000 0.0000 ( 2679 PWs) bands (ev): -4.8665 -4.8665 -0.5717 -0.5717 -0.2539 -0.2539 2.7859 2.7859 3.9846 3.9846 5.0394 5.0394 5.5628 5.5628 5.8233 5.8233 5.8540 5.8540 6.4771 6.4771 6.5667 6.5667 6.7719 6.7719 7.5634 7.5634 7.7654 7.7654 7.9662 7.9662 8.0253 8.0253 8.5389 8.5389 8.6674 8.6674 9.3856 9.3856 9.8789 9.8789 10.6682 10.6682 12.3332 12.3332 13.1339 13.1339 14.0470 14.0470 k = 0.0000 0.0000 0.0000 ( 2679 PWs) bands (ev): -4.8665 -4.8665 -0.5717 -0.5717 -0.2539 -0.2539 2.7859 2.7859 3.9846 3.9846 5.0394 5.0394 5.5628 5.5628 5.8233 5.8233 5.8540 5.8540 6.4771 6.4771 6.5667 6.5667 6.7719 6.7719 7.5634 7.5634 7.7654 7.7654 7.9662 7.9662 8.0253 8.0253 8.5389 8.5389 8.6674 8.6674 9.3856 9.3856 9.8789 9.8789 10.6682 10.6682 12.3332 12.3332 13.1339 13.1339 14.0470 14.0470 k = 0.0125-0.0016-0.0047 ( 2673 PWs) bands (ev): -4.8654 -4.8654 -0.5824 -0.5824 -0.2432 -0.2432 2.7813 2.7813 3.9832 3.9832 5.0384 5.0384 5.5623 5.5623 5.8172 5.8172 5.8582 5.8582 6.4722 6.4722 6.5731 6.5731 6.7805 6.7805 7.5655 7.5655 7.7656 7.7656 7.9670 7.9670 8.0256 8.0256 8.5387 8.5387 8.6670 8.6670 9.3841 9.3841 9.8786 9.8786 10.6689 10.6689 12.3323 12.3323 13.1277 13.1277 14.0512 14.0512 k = 0.0250-0.0031-0.0095 ( 2675 PWs) bands (ev): -4.8619 -4.8619 -0.6110 -0.6110 -0.2149 -0.2149 2.7678 2.7678 3.9789 3.9789 5.0357 5.0357 5.5611 5.5611 5.8003 5.8003 5.8698 5.8698 6.4601 6.4601 6.5899 6.5899 6.8055 6.8055 7.5716 7.5716 7.7660 7.7660 7.9690 7.9690 8.0265 8.0265 8.5379 8.5379 8.6654 8.6654 9.3799 9.3799 9.8775 9.8775 10.6709 10.6709 12.3295 12.3295 13.1095 13.1095 14.0633 14.0633 k = 0.0375-0.0047-0.0142 ( 2675 PWs) bands (ev): -4.8561 -4.8561 -0.6512 -0.6512 -0.1751 -0.1751 2.7457 2.7457 3.9716 3.9716 5.0315 5.0315 5.5598 5.5598 5.7748 5.7748 5.8871 5.8871 6.4448 6.4448 6.6132 6.6132 6.8449 6.8449 7.5817 7.5817 7.7668 7.7668 7.9723 7.9723 8.0282 8.0282 8.5364 8.5364 8.6629 8.6629 9.3730 9.3730 9.8758 9.8758 10.6742 10.6742 12.3248 12.3248 13.0806 13.0806 14.0823 14.0823 k = 0.0500-0.0063-0.0190 ( 2679 PWs) bands (ev): -4.8481 -4.8481 -0.6981 -0.6981 -0.1290 -0.1290 2.7156 2.7156 3.9611 3.9611 5.0265 5.0265 5.5592 5.5592 5.7432 5.7432 5.9087 5.9087 6.4282 6.4282 6.6410 6.6410 6.8960 6.8960 7.5954 7.5954 7.7679 7.7679 7.9765 7.9765 8.0311 8.0311 8.5342 8.5342 8.6594 8.6594 9.3636 9.3636 9.8734 9.8734 10.6790 10.6790 12.3182 12.3182 13.0426 13.0426 14.1061 14.1061 k = 0.0625-0.0078-0.0237 ( 2680 PWs) bands (ev): -4.8377 -4.8377 -0.7489 -0.7489 -0.0795 -0.0795 2.6782 2.6782 3.9471 3.9471 5.0213 5.0213 5.5597 5.5597 5.7080 5.7080 5.9329 5.9329 6.4111 6.4111 6.6724 6.6724 6.9562 6.9562 7.6122 7.6122 7.7695 7.7695 7.9814 7.9814 8.0356 8.0356 8.5311 8.5311 8.6552 8.6552 9.3523 9.3523 9.8704 9.8704 10.6855 10.6855 12.3097 12.3097 12.9980 12.9980 14.1310 14.1310 k = 0.0750-0.0094-0.0284 ( 2682 PWs) bands (ev): -4.8250 -4.8250 -0.8020 -0.8020 -0.0282 -0.0282 2.6343 2.6343 3.9296 3.9296 5.0164 5.0164 5.5614 5.5614 5.6716 5.6716 5.9584 5.9584 6.3942 6.3942 6.7067 6.7067 7.0229 7.0229 7.6317 7.6317 7.7719 7.7719 7.9862 7.9862 8.0425 8.0425 8.5266 8.5266 8.6504 8.6504 9.3393 9.3393 9.8666 9.8666 10.6938 10.6938 12.2988 12.2988 12.9493 12.9493 14.1513 14.1513 k = 0.0875-0.0110-0.0332 ( 2683 PWs) bands (ev): -4.8101 -4.8101 -0.8565 -0.8565 0.0239 0.0239 2.5849 2.5849 3.9084 3.9084 5.0124 5.0124 5.5638 5.5638 5.6363 5.6363 5.9842 5.9842 6.3778 6.3778 6.7434 6.7434 7.0942 7.0942 7.6530 7.6530 7.7753 7.7753 7.9904 7.9904 8.0525 8.0525 8.5205 8.5205 8.6454 8.6454 9.3252 9.3252 9.8620 9.8620 10.7041 10.7041 12.2850 12.2850 12.8993 12.8993 14.1436 14.1436 k = 0.1000-0.0126-0.0379 ( 2683 PWs) bands (ev): -4.7928 -4.7928 -0.9121 -0.9121 0.0760 0.0760 2.5310 2.5310 3.8836 3.8836 5.0094 5.0094 5.5637 5.5637 5.6064 5.6064 6.0095 6.0095 6.3621 6.3621 6.7818 6.7818 7.1681 7.1681 7.6750 7.6750 7.7805 7.7805 7.9938 7.9938 8.0658 8.0658 8.5123 8.5123 8.6405 8.6405 9.3106 9.3106 9.8568 9.8568 10.7168 10.7168 12.2674 12.2674 12.8512 12.8512 14.0850 14.0850 k = 0.1125-0.0141-0.0426 ( 2682 PWs) bands (ev): -4.7734 -4.7734 -0.9685 -0.9685 0.1275 0.1275 2.4736 2.4736 3.8553 3.8553 5.0075 5.0075 5.5507 5.5507 5.5933 5.5933 6.0341 6.0341 6.3477 6.3477 6.8211 6.8211 7.2430 7.2430 7.6961 7.6961 7.7889 7.7889 7.9962 7.9962 8.0826 8.0826 8.5017 8.5017 8.6361 8.6361 9.2961 9.2961 9.8508 9.8508 10.7318 10.7318 12.2450 12.2450 12.8077 12.8077 14.0136 14.0136 k = 0.1250-0.0157-0.0474 ( 2682 PWs) bands (ev): -4.7517 -4.7517 -1.0253 -1.0253 0.1780 0.1780 2.4138 2.4138 3.8238 3.8238 5.0066 5.0066 5.5265 5.5265 5.5956 5.5956 6.0576 6.0576 6.3349 6.3349 6.8603 6.8603 7.3175 7.3175 7.7144 7.7144 7.8019 7.8019 7.9979 7.9979 8.1024 8.1024 8.4886 8.4886 8.6326 8.6326 9.2823 9.2823 9.8440 9.8440 10.7496 10.7496 12.2167 12.2167 12.7715 12.7715 13.9364 13.9364 k = 0.1375-0.0173-0.0521 ( 2685 PWs) bands (ev): -4.7278 -4.7278 -1.0827 -1.0827 0.2270 0.2270 2.3527 2.3527 3.7894 3.7894 5.0065 5.0065 5.5024 5.5024 5.6024 5.6024 6.0799 6.0799 6.3241 6.3241 6.8985 6.8985 7.3902 7.3902 7.7285 7.7285 7.8208 7.8208 7.9991 7.9991 8.1246 8.1246 8.4731 8.4731 8.6302 8.6302 9.2698 9.2698 9.8363 9.8363 10.7702 10.7702 12.1821 12.1821 12.7443 12.7443 13.8547 13.8547 k = 0.1500-0.0188-0.0569 ( 2691 PWs) bands (ev): -4.7017 -4.7017 -1.1405 -1.1405 0.2741 0.2741 2.2912 2.2912 3.7524 3.7524 5.0070 5.0070 5.4816 5.4816 5.6105 5.6105 6.1008 6.1008 6.3161 6.3161 6.9348 6.9348 7.4596 7.4596 7.7391 7.7391 7.8449 7.8449 8.0001 8.0001 8.1480 8.1480 8.4562 8.4562 8.6290 8.6290 9.2589 9.2589 9.8277 9.8277 10.7939 10.7939 12.1416 12.1416 12.7265 12.7265 13.7696 13.7696 k = 0.1625-0.0204-0.0616 ( 2692 PWs) bands (ev): -4.6735 -4.6735 -1.1987 -1.1987 0.3186 0.3186 2.2305 2.2305 3.7133 3.7133 5.0078 5.0078 5.4648 5.4648 5.6189 5.6189 6.1202 6.1202 6.3113 6.3113 6.9683 6.9683 7.5241 7.5241 7.7484 7.7484 7.8726 7.8726 8.0009 8.0009 8.1709 8.1709 8.4394 8.4394 8.6291 8.6291 9.2502 9.2502 9.8181 9.8181 10.8206 10.8206 12.0965 12.0965 12.7176 12.7176 13.6823 13.6823 k = 0.1750-0.0220-0.0663 ( 2690 PWs) bands (ev): -4.6431 -4.6431 -1.2573 -1.2573 0.3602 0.3602 2.1715 2.1715 3.6725 3.6725 5.0087 5.0087 5.4522 5.4522 5.6273 5.6273 6.1380 6.1380 6.3107 6.3107 6.9982 6.9982 7.5811 7.5811 7.7592 7.7592 7.9023 7.9023 8.0022 8.0022 8.1903 8.1903 8.4255 8.4255 8.6303 8.6303 9.2439 9.2439 9.8076 9.8076 10.8506 10.8506 12.0483 12.0483 12.7158 12.7158 13.5939 13.5939 k = 0.1875-0.0235-0.0711 ( 2686 PWs) bands (ev): -4.6106 -4.6106 -1.3163 -1.3163 0.3981 0.3981 2.1154 2.1154 3.6304 3.6304 5.0097 5.0097 5.4434 5.4434 5.6355 5.6355 6.1536 6.1536 6.3147 6.3147 7.0240 7.0240 7.6274 7.6274 7.7749 7.7749 7.9324 7.9324 8.0045 8.0045 8.2022 8.2022 8.4183 8.4183 8.6327 8.6327 9.2400 9.2400 9.7960 9.7960 10.8837 10.8837 11.9992 11.9992 12.7188 12.7188 13.5054 13.5054 k = 0.2000-0.0251-0.0758 ( 2685 PWs) bands (ev): -4.5761 -4.5761 -1.3758 -1.3758 0.4319 0.4319 2.0631 2.0631 3.5875 3.5875 5.0108 5.0108 5.4380 5.4380 5.6435 5.6435 6.1671 6.1671 6.3240 6.3240 7.0451 7.0451 7.6595 7.6595 7.7984 7.7984 7.9604 7.9604 8.0103 8.0103 8.2032 8.2032 8.4210 8.4210 8.6361 8.6361 9.2385 9.2385 9.7835 9.7835 10.9199 10.9199 11.9508 11.9508 12.7238 12.7238 13.4171 13.4171 k = 0.2125-0.0267-0.0806 ( 2687 PWs) bands (ev): -4.5396 -4.5396 -1.4359 -1.4359 0.4609 0.4609 2.0156 2.0156 3.5441 3.5441 5.0122 5.0122 5.4351 5.4351 5.6515 5.6515 6.1784 6.1784 6.3385 6.3385 7.0610 7.0610 7.6782 7.6782 7.8284 7.8284 7.9802 7.9802 8.0259 8.0259 8.1933 8.1933 8.4337 8.4337 8.6405 8.6405 9.2393 9.2393 9.7698 9.7698 10.9590 10.9590 11.9047 11.9047 12.7278 12.7278 13.3291 13.3291 k = 0.2250-0.0283-0.0853 ( 2686 PWs) bands (ev): -4.5011 -4.5011 -1.4964 -1.4964 0.4845 0.4845 1.9738 1.9738 3.5005 3.5005 5.0142 5.0142 5.4340 5.4340 5.6597 5.6597 6.1879 6.1879 6.3579 6.3579 7.0714 7.0714 7.6879 7.6879 7.8594 7.8594 7.9896 7.9896 8.0536 8.0536 8.1760 8.1760 8.4532 8.4532 8.6461 8.6461 9.2418 9.2418 9.7551 9.7551 11.0007 11.0007 11.8622 11.8622 12.7275 12.7275 13.2409 13.2409 k = 0.2375-0.0298-0.0900 ( 2682 PWs) bands (ev): -4.4606 -4.4606 -1.5576 -1.5576 0.5024 0.5024 1.9384 1.9384 3.4572 3.4572 5.0169 5.0169 5.4338 5.4338 5.6685 5.6685 6.1963 6.1963 6.3817 6.3817 7.0761 7.0761 7.6929 7.6929 7.8865 7.8865 7.9954 7.9954 8.0856 8.0856 8.1571 8.1571 8.4755 8.4755 8.6528 8.6528 9.2456 9.2456 9.7394 9.7394 11.0447 11.0447 11.8243 11.8243 12.7208 12.7208 13.1519 13.1519 k = 0.2500-0.0314-0.0948 ( 2684 PWs) bands (ev): -4.4184 -4.4184 -1.6193 -1.6193 0.5141 0.5141 1.9099 1.9099 3.4144 3.4144 5.0207 5.0207 5.4337 5.4337 5.6783 5.6783 6.2041 6.2041 6.4089 6.4089 7.0750 7.0750 7.6952 7.6952 7.9062 7.9062 8.0018 8.0018 8.1062 8.1062 8.1517 8.1517 8.4977 8.4977 8.6608 8.6608 9.2502 9.2502 9.7227 9.7227 11.0903 11.0903 11.7920 11.7920 12.7065 12.7065 13.0618 13.0618 k = 0.2625-0.0330-0.0995 ( 2679 PWs) bands (ev): -4.3743 -4.3743 -1.6816 -1.6816 0.5197 0.5197 1.8885 1.8885 3.3724 3.3724 5.0258 5.0258 5.4329 5.4329 5.6892 5.6892 6.2116 6.2116 6.4390 6.4390 7.0680 7.0680 7.6964 7.6964 7.9170 7.9170 8.0104 8.0104 8.0970 8.0970 8.1792 8.1792 8.5183 8.5183 8.6702 8.6702 9.2548 9.2548 9.7050 9.7050 11.1368 11.1368 11.7660 11.7660 12.6857 12.6857 12.9706 12.9706 k = 0.2750-0.0345-0.1043 ( 2681 PWs) bands (ev): -4.3285 -4.3285 -1.7445 -1.7445 0.5193 0.5193 1.8743 1.8743 3.3314 3.3314 5.0324 5.0324 5.4311 5.4311 5.7013 5.7013 6.2190 6.2190 6.4715 6.4715 7.0553 7.0553 7.6968 7.6968 7.9195 7.9195 8.0198 8.0198 8.0817 8.0817 8.2170 8.2170 8.5360 8.5360 8.6809 8.6809 9.2586 9.2586 9.6864 9.6864 11.1835 11.1835 11.7468 11.7468 12.6602 12.6602 12.8789 12.8789 k = 0.2875-0.0361-0.1090 ( 2682 PWs) bands (ev): -4.2811 -4.2811 -1.8080 -1.8080 0.5133 0.5133 1.8669 1.8669 3.2918 3.2918 5.0407 5.0407 5.4282 5.4282 5.7146 5.7146 6.2265 6.2265 6.5058 6.5058 7.0372 7.0372 7.6969 7.6969 7.9158 7.9158 8.0269 8.0269 8.0708 8.0708 8.2564 8.2564 8.5508 8.5508 8.6929 8.6929 9.2612 9.2612 9.6670 9.6670 11.2292 11.2292 11.7351 11.7351 12.6326 12.6326 12.7877 12.7877 k = 0.3000-0.0377-0.1137 ( 2684 PWs) bands (ev): -4.2322 -4.2322 -1.8720 -1.8720 0.5024 0.5024 1.8656 1.8656 3.2537 3.2537 5.0506 5.0506 5.4242 5.4242 5.7286 5.7286 6.2342 6.2342 6.5414 6.5414 7.0144 7.0144 7.6968 7.6968 7.9079 7.9079 8.0282 8.0282 8.0679 8.0679 8.2956 8.2956 8.5627 8.5627 8.7057 8.7057 9.2618 9.2618 9.6470 9.6470 11.2729 11.2729 11.7310 11.7310 12.6037 12.6037 12.6997 12.6997 k = 0.3125-0.0392-0.1185 ( 2687 PWs) bands (ev): -4.1819 -4.1819 -1.9365 -1.9365 0.4874 0.4874 1.8696 1.8696 3.2172 3.2172 5.0622 5.0622 5.4194 5.4194 5.7429 5.7429 6.2419 6.2419 6.5779 6.5779 6.9875 6.9875 7.6965 7.6965 7.8976 7.8976 8.0247 8.0247 8.0714 8.0714 8.3337 8.3337 8.5721 8.5721 8.7191 8.7191 9.2600 9.2600 9.6264 9.6264 11.3133 11.3133 11.7349 11.7349 12.5653 12.5653 12.6258 12.6258 k = 0.3250-0.0408-0.1232 ( 2691 PWs) bands (ev): -4.1304 -4.1304 -2.0014 -2.0014 0.4693 0.4693 1.8781 1.8781 3.1827 3.1827 5.0755 5.0755 5.4140 5.4140 5.7568 5.7568 6.2497 6.2497 6.6148 6.6148 6.9577 6.9577 7.6956 7.6956 7.8864 7.8864 8.0200 8.0200 8.0770 8.0770 8.3704 8.3704 8.5795 8.5795 8.7326 8.7326 9.2555 9.2555 9.6056 9.6056 11.3496 11.3496 11.7465 11.7465 12.4964 12.4964 12.5894 12.5894 k = 0.3375-0.0424-0.1279 ( 2693 PWs) bands (ev): -4.0777 -4.0777 -2.0664 -2.0664 0.4489 0.4489 1.8901 1.8901 3.1502 3.1502 5.0902 5.0902 5.4087 5.4087 5.7699 5.7699 6.2573 6.2573 6.6513 6.6513 6.9262 6.9262 7.6939 7.6939 7.8755 7.8755 8.0158 8.0158 8.0823 8.0823 8.4053 8.4053 8.5857 8.5857 8.7460 8.7460 9.2479 9.2479 9.5848 9.5848 11.3812 11.3812 11.7653 11.7653 12.4141 12.4141 12.5751 12.5751 k = 0.3500-0.0440-0.1327 ( 2695 PWs) bands (ev): -4.0241 -4.0241 -2.1316 -2.1316 0.4271 0.4271 1.9046 1.9046 3.1198 3.1198 5.1062 5.1062 5.4038 5.4038 5.7814 5.7814 6.2648 6.2648 6.6860 6.6860 6.8951 6.8951 7.6910 7.6910 7.8659 7.8659 8.0122 8.0122 8.0869 8.0869 8.4380 8.4380 8.5911 8.5911 8.7590 8.7590 9.2371 9.2371 9.5644 9.5644 11.4080 11.4080 11.7903 11.7903 12.3314 12.3314 12.5710 12.5710 k = 0.3625-0.0455-0.1374 ( 2696 PWs) bands (ev): -3.9699 -3.9699 -2.1965 -2.1965 0.4047 0.4047 1.9207 1.9207 3.0917 3.0917 5.1230 5.1230 5.3999 5.3999 5.7907 5.7907 6.2720 6.2720 6.7161 6.7161 6.8681 6.8681 7.6864 7.6864 7.8580 7.8580 8.0092 8.0092 8.0904 8.0904 8.4681 8.4681 8.5966 8.5966 8.7715 8.7715 9.2233 9.2233 9.5448 9.5448 11.4305 11.4305 11.8198 11.8198 12.2512 12.2512 12.5747 12.5747 k = 0.3750-0.0471-0.1422 ( 2692 PWs) bands (ev): -3.9153 -3.9153 -2.2610 -2.2610 0.3824 0.3824 1.9377 1.9377 3.0659 3.0659 5.1402 5.1402 5.3978 5.3978 5.7973 5.7973 6.2787 6.2787 6.7344 6.7344 6.8529 6.8529 7.6800 7.6800 7.8522 7.8522 8.0069 8.0069 8.0930 8.0930 8.4947 8.4947 8.6031 8.6031 8.7834 8.7834 9.2065 9.2065 9.5264 9.5264 11.4495 11.4495 11.8522 11.8522 12.1748 12.1748 12.5851 12.5851 k = 0.3875-0.0487-0.1469 ( 2693 PWs) bands (ev): -3.8608 -3.8608 -2.3246 -2.3246 0.3609 0.3609 1.9549 1.9549 3.0425 3.0425 5.1570 5.1570 5.3981 5.3981 5.8007 5.8007 6.2847 6.2847 6.7323 6.7323 6.8588 6.8588 7.6716 7.6716 7.8486 7.8486 8.0049 8.0049 8.0948 8.0948 8.5170 8.5170 8.6118 8.6118 8.7946 8.7946 9.1870 9.1870 9.5094 9.5094 11.4659 11.4659 11.8850 11.8850 12.1039 12.1039 12.6010 12.6010 k = 0.4000-0.0502-0.1516 ( 2694 PWs) bands (ev): -3.8067 -3.8067 -2.3869 -2.3869 0.3405 0.3405 1.9716 1.9716 3.0216 3.0216 5.1726 5.1726 5.4015 5.4015 5.8005 5.8005 6.2900 6.2900 6.7148 6.7148 6.8813 6.8813 7.6613 7.6613 7.8469 7.8469 8.0033 8.0033 8.0960 8.0960 8.5338 8.5338 8.6238 8.6238 8.8049 8.8049 9.1653 9.1653 9.4940 9.4940 11.4805 11.4805 11.9131 11.9131 12.0426 12.0426 12.6211 12.6211 k = 0.4125-0.0518-0.1564 ( 2692 PWs) bands (ev): -3.7538 -3.7538 -2.4471 -2.4471 0.3217 0.3217 1.9874 1.9874 3.0032 3.0032 5.1863 5.1863 5.4087 5.4087 5.7966 5.7966 6.2944 6.2944 6.6927 6.6927 6.9099 6.9099 7.6497 7.6497 7.8467 7.8467 8.0021 8.0021 8.0967 8.0967 8.5452 8.5452 8.6393 8.6393 8.8144 8.8144 9.1423 9.1423 9.4805 9.4805 11.4944 11.4944 11.9172 11.9172 12.0094 12.0094 12.6437 12.6437 k = 0.4250-0.0534-0.1611 ( 2698 PWs) bands (ev): -3.7028 -3.7028 -2.5044 -2.5044 0.3049 0.3049 2.0018 2.0018 2.9873 2.9873 5.1974 5.1974 5.4199 5.4199 5.7888 5.7888 6.2978 6.2978 6.6712 6.6712 6.9394 6.9394 7.6372 7.6372 7.8476 7.8476 8.0011 8.0011 8.0970 8.0970 8.5521 8.5521 8.6573 8.6573 8.8227 8.8227 9.1186 9.1186 9.4687 9.4687 11.5082 11.5082 11.8800 11.8800 12.0206 12.0206 12.6673 12.6673 k = 0.4375-0.0549-0.1659 ( 2698 PWs) bands (ev): -3.6549 -3.6549 -2.5578 -2.5578 0.2903 0.2903 2.0145 2.0145 2.9739 2.9739 5.2059 5.2059 5.4347 5.4347 5.7777 5.7777 6.3004 6.3004 6.6523 6.6523 6.9674 6.9674 7.6245 7.6245 7.8491 7.8491 8.0003 8.0003 8.0971 8.0971 8.5562 8.5562 8.6763 8.6763 8.8299 8.8299 9.0952 9.0952 9.4588 9.4588 11.5227 11.5227 11.8306 11.8306 12.0463 12.0463 12.6902 12.6902 k = 0.4500-0.0565-0.1706 ( 2695 PWs) bands (ev): -3.6114 -3.6114 -2.6058 -2.6058 0.2781 0.2781 2.0252 2.0252 2.9629 2.9629 5.2118 5.2118 5.4522 5.4522 5.7641 5.7641 6.3022 6.3022 6.6369 6.6369 6.9925 6.9925 7.6124 7.6124 7.8510 7.8510 7.9998 7.9998 8.0971 8.0971 8.5585 8.5585 8.6947 8.6947 8.8357 8.8357 9.0733 9.0733 9.4507 9.4507 11.5388 11.5388 11.7822 11.7822 12.0722 12.0722 12.7111 12.7111 k = 0.4625-0.0581-0.1753 ( 2691 PWs) bands (ev): -3.5742 -3.5742 -2.6466 -2.6466 0.2685 0.2685 2.0338 2.0338 2.9545 2.9545 5.2157 5.2157 5.4705 5.4705 5.7492 5.7492 6.3033 6.3033 6.6251 6.6251 7.0135 7.0135 7.6017 7.6017 7.8527 7.8527 7.9994 7.9994 8.0971 8.0971 8.5597 8.5597 8.7112 8.7112 8.8401 8.8401 9.0540 9.0540 9.4445 9.4445 11.5569 11.5569 11.7375 11.7375 12.0946 12.0946 12.7287 12.7287 k = 0.4750-0.0597-0.1801 ( 2687 PWs) bands (ev): -3.5452 -3.5452 -2.6781 -2.6781 0.2615 0.2615 2.0399 2.0399 2.9485 2.9485 5.2181 5.2181 5.4872 5.4872 5.7352 5.7352 6.3040 6.3040 6.6169 6.6169 7.0295 7.0295 7.5933 7.5933 7.8542 7.8542 7.9992 7.9992 8.0970 8.0970 8.5604 8.5604 8.7247 8.7247 8.8429 8.8429 9.0388 9.0388 9.4401 9.4401 11.5777 11.5777 11.6971 11.6971 12.1116 12.1116 12.7420 12.7420 k = 0.4875-0.0612-0.1848 ( 2685 PWs) bands (ev): -3.5267 -3.5267 -2.6981 -2.6981 0.2573 0.2573 2.0437 2.0437 2.9448 2.9448 5.2193 5.2193 5.4993 5.4993 5.7249 5.7249 6.3043 6.3043 6.6120 6.6120 7.0394 7.0394 7.5879 7.5879 7.8551 7.8551 7.9990 7.9990 8.0970 8.0970 8.5607 8.5607 8.7336 8.7336 8.8445 8.8445 9.0290 9.0290 9.4374 9.4374 11.6017 11.6017 11.6612 11.6612 12.1223 12.1223 12.7503 12.7503 k = 0.5000-0.0628-0.1895 ( 2682 PWs) bands (ev): -3.5203 -3.5203 -2.7050 -2.7050 0.2559 0.2559 2.0450 2.0450 2.9437 2.9437 5.2197 5.2197 5.5038 5.5038 5.7210 5.7210 6.3044 6.3044 6.6104 6.6104 7.0428 7.0428 7.5860 7.5860 7.8554 7.8554 7.9990 7.9990 8.0970 8.0970 8.5608 8.5608 8.7367 8.7367 8.8450 8.8450 9.0255 9.0255 9.4365 9.4365 11.6281 11.6281 11.6307 11.6307 12.1259 12.1259 12.7531 12.7531 k = 0.5000-0.0628 0.2438 ( 2708 PWs) bands (ev): -3.7105 -3.7105 -1.6153 -1.6153 -0.8127 -0.8127 0.7886 0.7886 4.3059 4.3059 5.1350 5.1350 5.3040 5.3040 5.5008 5.5008 6.3228 6.3228 7.2644 7.2644 7.5070 7.5070 7.5919 7.5919 7.8038 7.8038 8.1484 8.1484 8.4901 8.4901 8.6519 8.6519 8.7253 8.7253 9.0986 9.0986 9.7207 9.7207 9.7305 9.7305 10.5772 10.5772 11.0807 11.0807 11.1217 11.1217 13.4681 13.4681 k = 0.4881-0.0613 0.2380 ( 2711 PWs) bands (ev): -3.7134 -3.7134 -1.6127 -1.6127 -0.8117 -0.8117 0.7911 0.7911 4.3063 4.3063 5.1353 5.1353 5.2911 5.2911 5.5127 5.5127 6.3153 6.3153 7.2699 7.2699 7.5070 7.5070 7.5901 7.5901 7.8042 7.8042 8.1508 8.1508 8.4905 8.4905 8.6510 8.6510 8.7251 8.7251 9.0925 9.0925 9.6819 9.6819 9.7662 9.7662 10.5838 10.5838 11.0679 11.0679 11.1390 11.1390 13.4692 13.4692 k = 0.4762-0.0598 0.2322 ( 2714 PWs) bands (ev): -3.7217 -3.7217 -1.6049 -1.6049 -0.8087 -0.8087 0.7983 0.7983 4.3076 4.3076 5.1361 5.1361 5.2591 5.2591 5.5418 5.5418 6.2938 6.2938 7.2852 7.2852 7.5061 7.5061 7.5862 7.5862 7.8056 7.8056 8.1580 8.1580 8.4918 8.4918 8.6478 8.6478 8.7244 8.7244 9.0749 9.0749 9.6361 9.6361 9.8032 9.8032 10.6030 10.6030 11.0494 11.0494 11.1714 11.1714 13.4724 13.4724 k = 0.4643-0.0583 0.2264 ( 2714 PWs) bands (ev): -3.7354 -3.7354 -1.5922 -1.5922 -0.8037 -0.8037 0.8105 0.8105 4.3097 4.3097 5.1368 5.1368 5.2181 5.2181 5.5782 5.5782 6.2605 6.2605 7.3076 7.3076 7.5020 7.5020 7.5841 7.5841 7.8076 7.8076 8.1694 8.1694 8.4936 8.4936 8.6417 8.6417 8.7232 8.7232 9.0483 9.0483 9.5877 9.5877 9.8365 9.8365 10.6334 10.6334 11.0349 11.0349 11.2095 11.2095 13.4773 13.4773 k = 0.4524-0.0568 0.2206 ( 2712 PWs) bands (ev): -3.7542 -3.7542 -1.5748 -1.5748 -0.7967 -0.7967 0.8274 0.8274 4.3125 4.3125 5.1348 5.1348 5.1762 5.1762 5.6164 5.6164 6.2183 6.2183 7.3330 7.3330 7.4918 7.4918 7.5893 7.5893 7.8101 7.8101 8.1841 8.1841 8.4954 8.4954 8.6315 8.6315 8.7217 8.7217 9.0163 9.0163 9.5369 9.5369 9.8658 9.8658 10.6726 10.6726 11.0272 11.0272 11.2519 11.2519 13.4836 13.4836 k = 0.4405-0.0553 0.2148 ( 2708 PWs) bands (ev): -3.7776 -3.7776 -1.5535 -1.5535 -0.7876 -0.7876 0.8491 0.8491 4.3158 4.3158 5.1115 5.1115 5.1543 5.1543 5.6534 5.6534 6.1704 6.1704 7.3568 7.3568 7.4756 7.4756 7.6046 7.6046 7.8130 7.8130 8.2012 8.2012 8.4959 8.4959 8.6160 8.6160 8.7196 8.7196 8.9831 8.9831 9.4837 9.4837 9.8907 9.8907 10.7176 10.7176 11.0278 11.0278 11.2982 11.2982 13.4904 13.4904 k = 0.4286-0.0538 0.2090 ( 2701 PWs) bands (ev): -3.8052 -3.8052 -1.5286 -1.5286 -0.7764 -0.7764 0.8756 0.8756 4.3196 4.3196 5.0668 5.0668 5.1538 5.1538 5.6868 5.6868 6.1205 6.1205 7.3742 7.3742 7.4572 7.4572 7.6298 7.6298 7.8161 7.8161 8.2200 8.2200 8.4923 8.4923 8.5953 8.5953 8.7171 8.7171 8.9529 8.9529 9.4282 9.4282 9.9113 9.9113 10.7651 10.7651 11.0388 11.0388 11.3485 11.3485 13.4969 13.4969 k = 0.4167-0.0523 0.2032 ( 2697 PWs) bands (ev): -3.8364 -3.8364 -1.5008 -1.5008 -0.7631 -0.7631 0.9069 0.9069 4.3234 4.3234 5.0192 5.0192 5.1571 5.1571 5.7139 5.7139 6.0722 6.0722 7.3782 7.3782 7.4442 7.4442 7.6626 7.6626 7.8196 7.8196 8.2397 8.2397 8.4778 8.4778 8.5746 8.5746 8.7143 8.7143 8.9285 8.9285 9.3708 9.3708 9.9275 9.9275 10.8119 10.8119 11.0618 11.0618 11.4029 11.4029 13.5021 13.5021 k = 0.4048-0.0508 0.1974 ( 2696 PWs) bands (ev): -3.8709 -3.8709 -1.4707 -1.4707 -0.7476 -0.7476 0.9427 0.9427 4.3270 4.3270 4.9721 4.9721 5.1614 5.1614 5.7308 5.7308 6.0307 6.0307 7.3641 7.3641 7.4429 7.4429 7.7003 7.7003 7.8233 7.8233 8.2598 8.2598 8.4446 8.4446 8.5623 8.5623 8.7112 8.7112 8.9104 8.9104 9.3121 9.3121 9.9396 9.9396 10.8558 10.8558 11.0971 11.0971 11.4616 11.4616 13.5054 13.5054 k = 0.3929-0.0493 0.1916 ( 2699 PWs) bands (ev): -3.9079 -3.9079 -1.4390 -1.4390 -0.7300 -0.7300 0.9832 0.9832 4.3298 4.3298 4.9266 4.9266 5.1661 5.1661 5.7328 5.7328 6.0017 6.0017 7.3389 7.3389 7.4481 7.4481 7.7398 7.7398 7.8277 7.8277 8.2793 8.2793 8.3942 8.3942 8.5590 8.5590 8.7081 8.7081 8.8975 8.8975 9.2526 9.2526 9.9478 9.9478 10.8971 10.8971 11.1431 11.1431 11.5249 11.5249 13.5062 13.5062 k = 0.3810-0.0478 0.1858 ( 2700 PWs) bands (ev): -3.9471 -3.9471 -1.4062 -1.4062 -0.7103 -0.7103 1.0281 1.0281 4.3314 4.3314 4.8838 4.8838 5.1707 5.1707 5.7172 5.7172 5.9888 5.9888 7.3092 7.3092 7.4547 7.4547 7.7777 7.7777 7.8339 7.8339 8.2912 8.2912 8.3403 8.3403 8.5605 8.5605 8.7048 8.7048 8.8875 8.8875 9.1933 9.1933 9.9525 9.9525 10.9375 10.9375 11.1966 11.1966 11.5930 11.5930 13.5040 13.5040 k = 0.3690-0.0463 0.1800 ( 2704 PWs) bands (ev): -3.9881 -3.9881 -1.3727 -1.3727 -0.6885 -0.6885 1.0774 1.0774 4.3310 4.3310 4.8445 4.8445 5.1749 5.1749 5.6873 5.6873 5.9897 5.9897 7.2774 7.2774 7.4609 7.4609 7.8080 7.8080 7.8455 7.8455 8.2504 8.2504 8.3328 8.3328 8.5637 8.5637 8.7016 8.7016 8.8782 8.8782 9.1355 9.1355 9.9542 9.9542 10.9789 10.9789 11.2539 11.2539 11.6659 11.6659 13.4990 13.4990 k = 0.3571-0.0449 0.1742 ( 2702 PWs) bands (ev): -4.0303 -4.0303 -1.3391 -1.3391 -0.6649 -0.6649 1.1310 1.1310 4.3279 4.3279 4.8098 4.8098 5.1780 5.1780 5.6498 5.6498 5.9986 5.9986 7.2443 7.2443 7.4665 7.4665 7.8237 7.8237 7.8683 7.8683 8.1818 8.1818 8.3502 8.3502 8.5672 8.5672 8.6983 8.6983 8.8674 8.8674 9.0812 9.0812 9.9534 9.9534 11.0228 11.0228 11.3124 11.3124 11.7435 11.7435 13.4911 13.4911 k = 0.3452-0.0434 0.1684 ( 2700 PWs) bands (ev): -4.0734 -4.0734 -1.3055 -1.3055 -0.6394 -0.6394 1.1885 1.1885 4.3212 4.3212 4.7805 4.7805 5.1795 5.1795 5.6107 5.6107 6.0104 6.0104 7.2101 7.2101 7.4714 7.4714 7.8306 7.8306 7.8941 7.8941 8.1117 8.1117 8.3691 8.3691 8.5697 8.5697 8.6948 8.6948 8.8531 8.8531 9.0327 9.0327 9.9508 9.9508 11.0697 11.0697 11.3699 11.3699 11.8254 11.8254 13.4804 13.4804 k = 0.3333-0.0419 0.1626 ( 2702 PWs) bands (ev): -4.1170 -4.1170 -1.2724 -1.2724 -0.6125 -0.6125 1.2499 1.2499 4.3104 4.3104 4.7574 4.7574 5.1786 5.1786 5.5741 5.5741 6.0224 6.0224 7.1744 7.1744 7.4754 7.4754 7.8348 7.8348 7.9127 7.9127 8.0470 8.0470 8.3873 8.3873 8.5699 8.5699 8.6906 8.6906 8.8339 8.8339 8.9933 8.9933 9.9467 9.9467 11.1193 11.1193 11.4249 11.4249 11.9110 11.9110 13.4670 13.4670 k = 0.3214-0.0404 0.1568 ( 2699 PWs) bands (ev): -4.1609 -4.1609 -1.2397 -1.2397 -0.5843 -0.5843 1.3149 1.3149 4.2954 4.2954 4.7406 4.7406 5.1745 5.1745 5.5430 5.5430 6.0330 6.0330 7.1370 7.1370 7.4784 7.4784 7.8372 7.8372 7.9096 7.9096 8.0028 8.0028 8.4039 8.4039 8.5665 8.5665 8.6848 8.6848 8.8102 8.8102 8.9652 8.9652 9.9418 9.9418 11.1715 11.1715 11.4761 11.4761 11.9997 11.9997 13.4505 13.4505 k = 0.3095-0.0389 0.1509 ( 2702 PWs) bands (ev): -4.2047 -4.2047 -1.2077 -1.2077 -0.5553 -0.5553 1.3831 1.3831 4.2763 4.2763 4.7298 4.7298 5.1668 5.1668 5.5191 5.5191 6.0412 6.0412 7.0971 7.0971 7.4800 7.4800 7.8343 7.8343 7.8747 7.8747 7.9935 7.9935 8.4185 8.4185 8.5578 8.5578 8.6757 8.6757 8.7850 8.7850 8.9488 8.9488 9.9364 9.9364 11.2253 11.2253 11.5217 11.5217 12.0909 12.0909 13.4305 13.4305 k = 0.2976-0.0374 0.1451 ( 2705 PWs) bands (ev): -4.2483 -4.2483 -1.1763 -1.1763 -0.5256 -0.5256 1.4543 1.4543 4.2540 4.2540 4.7242 4.7242 5.1557 5.1557 5.5032 5.5032 6.0467 6.0467 7.0542 7.0542 7.4800 7.4800 7.8032 7.8032 7.8537 7.8537 7.9973 7.9973 8.4304 8.4304 8.5431 8.5431 8.6625 8.6625 8.7622 8.7622 8.9428 8.9428 9.9308 9.9308 11.2799 11.2799 11.5601 11.5601 12.1841 12.1841 13.4063 13.4063 k = 0.2857-0.0359 0.1393 ( 2705 PWs) bands (ev): -4.2913 -4.2913 -1.1455 -1.1455 -0.4958 -0.4958 1.5280 1.5280 4.2296 4.2296 4.7226 4.7226 5.1425 5.1425 5.4952 5.4952 6.0494 6.0494 7.0078 7.0078 7.4776 7.4776 7.7535 7.7535 7.8517 7.8517 8.0002 8.0002 8.4391 8.4391 8.5232 8.5232 8.6457 8.6457 8.7430 8.7430 8.9459 8.9459 9.9254 9.9254 11.3345 11.3345 11.5890 11.5890 12.2789 12.2789 13.3779 13.3779 k = 0.2738-0.0344 0.1335 ( 2706 PWs) bands (ev): -4.3336 -4.3336 -1.1153 -1.1153 -0.4661 -0.4661 1.6039 1.6039 4.2041 4.2041 4.7235 4.7235 5.1289 5.1289 5.4942 5.4942 6.0491 6.0491 6.9576 6.9576 7.4723 7.4723 7.7063 7.7063 7.8514 7.8514 7.9990 7.9990 8.4421 8.4421 8.5016 8.5016 8.6267 8.6267 8.7268 8.7268 8.9566 8.9566 9.9202 9.9202 11.3878 11.3878 11.6067 11.6067 12.3752 12.3752 13.3466 13.3466 k = 0.2619-0.0329 0.1277 ( 2706 PWs) bands (ev): -4.3750 -4.3750 -1.0855 -1.0855 -0.4369 -0.4369 1.6814 1.6814 4.1786 4.1786 4.7257 4.7257 5.1170 5.1170 5.4989 5.4989 6.0461 6.0461 6.9037 6.9037 7.4633 7.4633 7.6651 7.6651 7.8505 7.8505 7.9934 7.9934 8.4340 8.4340 8.4856 8.4856 8.6059 8.6059 8.7131 8.7131 8.9731 8.9731 9.9154 9.9154 11.4376 11.4376 11.6125 11.6125 12.4728 12.4728 13.3162 13.3162 k = 0.2500-0.0314 0.1219 ( 2707 PWs) bands (ev): -4.4154 -4.4154 -1.0561 -1.0561 -0.4086 -0.4086 1.7600 1.7600 4.1540 4.1540 4.7280 4.7280 5.1087 5.1087 5.5081 5.5081 6.0404 6.0404 6.8463 6.8463 7.4501 7.4501 7.6301 7.6301 7.8481 7.8481 7.9841 7.9841 8.4127 8.4127 8.4783 8.4783 8.5842 8.5842 8.7020 8.7020 8.9936 8.9936 9.9110 9.9110 11.4778 11.4778 11.6107 11.6107 12.5712 12.5712 13.2911 13.2911 k = 0.2381-0.0299 0.1161 ( 2710 PWs) bands (ev): -4.4545 -4.4545 -1.0270 -1.0270 -0.3816 -0.3816 1.8392 1.8392 4.1309 4.1309 4.7297 4.7297 5.1056 5.1056 5.5207 5.5207 6.0324 6.0324 6.7861 6.7861 7.4326 7.4326 7.6004 7.6004 7.8438 7.8438 7.9725 7.9725 8.3846 8.3846 8.4717 8.4717 8.5638 8.5638 8.6934 8.6934 9.0168 9.0168 9.9069 9.9069 11.4919 11.4919 11.6178 11.6178 12.6698 12.6698 13.2751 13.2751 k = 0.2262-0.0284 0.1103 ( 2707 PWs) bands (ev): -4.4924 -4.4924 -0.9981 -0.9981 -0.3560 -0.3560 1.9184 1.9184 4.1100 4.1100 4.7307 4.7307 5.1086 5.1086 5.5357 5.5357 6.0222 6.0222 6.7241 6.7241 7.4113 7.4113 7.5742 7.5742 7.8370 7.8370 7.9605 7.9605 8.3535 8.3535 8.4591 8.4591 8.5482 8.5482 8.6872 8.6872 9.0417 9.0417 9.9033 9.9033 11.4668 11.4668 11.6482 11.6482 12.7670 12.7670 13.2706 13.2706 k = 0.2143-0.0269 0.1045 ( 2704 PWs) bands (ev): -4.5288 -4.5288 -0.9694 -0.9694 -0.3323 -0.3323 1.9969 1.9969 4.0915 4.0915 4.7312 4.7312 5.1178 5.1178 5.5525 5.5525 6.0102 6.0102 6.6614 6.6614 7.3868 7.3868 7.5492 7.5492 7.8281 7.8281 7.9494 7.9494 8.3203 8.3203 8.4379 8.4379 8.5394 8.5394 8.6829 8.6829 9.0674 9.0674 9.9001 9.9001 11.4161 11.4161 11.6914 11.6914 12.8597 12.8597 13.2800 13.2800 k = 0.2024-0.0254 0.0987 ( 2700 PWs) bands (ev): -4.5637 -4.5637 -0.9409 -0.9409 -0.3106 -0.3106 2.0741 2.0741 4.0756 4.0756 4.7322 4.7322 5.1331 5.1331 5.5701 5.5701 5.9968 5.9968 6.5991 6.5991 7.3595 7.3595 7.5234 7.5234 7.8179 7.8179 7.9400 7.9400 8.2850 8.2850 8.4099 8.4099 8.5357 8.5357 8.6801 8.6801 9.0934 9.0934 9.8971 9.8971 11.3520 11.3520 11.7385 11.7385 12.9422 12.9422 13.3070 13.3070 k = 0.1905-0.0239 0.0929 ( 2696 PWs) bands (ev): -4.5970 -4.5970 -0.9124 -0.9124 -0.2912 -0.2912 2.1493 2.1493 4.0622 4.0622 4.7347 4.7347 5.1538 5.1538 5.5879 5.5879 5.9823 5.9823 6.5383 6.5383 7.3295 7.3295 7.4956 7.4956 7.8074 7.8074 7.9319 7.9319 8.2478 8.2478 8.3777 8.3777 8.5346 8.5346 8.6784 8.6784 9.1194 9.1194 9.8945 9.8945 11.2811 11.2811 11.7866 11.7866 13.0080 13.0080 13.3563 13.3563 k = 0.1786-0.0224 0.0871 ( 2693 PWs) bands (ev): -4.6286 -4.6286 -0.8840 -0.8840 -0.2741 -0.2741 2.2219 2.2219 4.0513 4.0513 4.7399 4.7399 5.1794 5.1794 5.6050 5.6050 5.9674 5.9674 6.4803 6.4803 7.2969 7.2969 7.4651 7.4651 7.7978 7.7978 7.9241 7.9241 8.2093 8.2093 8.3427 8.3427 8.5347 8.5347 8.6773 8.6773 9.1451 9.1451 9.8920 9.8920 11.2077 11.2077 11.8347 11.8347 13.0535 13.0535 13.4292 13.4292 k = 0.1667-0.0209 0.0813 ( 2694 PWs) bands (ev): -4.6584 -4.6584 -0.8558 -0.8558 -0.2596 -0.2596 2.2915 2.2915 4.0424 4.0424 4.7488 4.7488 5.2090 5.2090 5.6204 5.6204 5.9529 5.9529 6.4261 6.4261 7.2613 7.2613 7.4316 7.4316 7.7896 7.7896 7.9153 7.9153 8.1704 8.1704 8.3057 8.3057 8.5351 8.5351 8.6766 8.6766 9.1705 9.1705 9.8898 9.8898 11.1351 11.1351 11.8823 11.8823 13.0821 13.0821 13.5209 13.5209 k = 0.1548-0.0194 0.0755 ( 2691 PWs) bands (ev): -4.6865 -4.6865 -0.8277 -0.8277 -0.2476 -0.2476 2.3573 2.3573 4.0352 4.0352 4.7621 4.7621 5.2424 5.2424 5.6327 5.6327 5.9395 5.9395 6.3769 6.3769 7.2229 7.2229 7.3952 7.3952 7.7829 7.7829 7.9040 7.9040 8.1329 8.1329 8.2677 8.2677 8.5357 8.5357 8.6760 8.6760 9.1953 9.1953 9.8877 9.8877 11.0655 11.0655 11.9294 11.9294 13.0998 13.0998 13.6237 13.6237 k = 0.1429-0.0179 0.0697 ( 2685 PWs) bands (ev): -4.7126 -4.7126 -0.7999 -0.7999 -0.2383 -0.2383 2.4192 2.4192 4.0292 4.0292 4.7803 4.7803 5.2792 5.2792 5.6410 5.6410 5.9284 5.9284 6.3339 6.3339 7.1819 7.1819 7.3555 7.3555 7.7775 7.7775 7.8882 7.8882 8.0985 8.0985 8.2294 8.2294 8.5362 8.5362 8.6754 8.6754 9.2194 9.2194 9.8859 9.8859 11.0006 11.0006 11.9756 11.9756 13.1108 13.1108 13.7315 13.7316 k = 0.1310-0.0164 0.0639 ( 2684 PWs) bands (ev): -4.7368 -4.7368 -0.7724 -0.7724 -0.2315 -0.2315 2.4767 2.4767 4.0239 4.0239 4.8033 4.8033 5.3190 5.3190 5.6442 5.6442 5.9201 5.9201 6.2983 6.2983 7.1386 7.1386 7.3121 7.3121 7.7729 7.7729 7.8663 7.8663 8.0692 8.0692 8.1919 8.1919 8.5367 8.5367 8.6748 8.6748 9.2427 9.2427 9.8843 9.8843 10.9414 10.9414 12.0208 12.0208 13.1180 13.1180 13.8394 13.8395 k = 0.1190-0.0150 0.0581 ( 2678 PWs) bands (ev): -4.7590 -4.7590 -0.7454 -0.7454 -0.2273 -0.2273 2.5295 2.5295 4.0190 4.0190 4.8304 4.8304 5.3616 5.3616 5.6423 5.6423 5.9143 5.9143 6.2711 6.2711 7.0936 7.0936 7.2642 7.2642 7.7682 7.7682 7.8381 7.8381 8.0464 8.0464 8.1567 8.1567 8.5372 8.5372 8.6740 8.6740 9.2650 9.2650 9.8830 9.8830 10.8885 10.8885 12.0649 12.0649 13.1228 13.1228 13.9432 13.9432 k = 0.1071-0.0135 0.0523 ( 2676 PWs) bands (ev): -4.7792 -4.7792 -0.7191 -0.7191 -0.2253 -0.2253 2.5776 2.5776 4.0143 4.0143 4.8606 4.8606 5.4068 5.4068 5.6366 5.6366 5.9100 5.9100 6.2535 6.2535 7.0475 7.0475 7.2110 7.2110 7.7609 7.7609 7.8071 7.8071 8.0296 8.0296 8.1246 8.1246 8.5376 8.5376 8.6731 8.6731 9.2860 9.2860 9.8818 9.8818 10.8422 10.8422 12.1074 12.1074 13.1261 13.1261 14.0389 14.0389 k = 0.0952-0.0120 0.0464 ( 2680 PWs) bands (ev): -4.7974 -4.7974 -0.6937 -0.6937 -0.2256 -0.2256 2.6208 2.6208 4.0095 4.0095 4.8924 4.8924 5.4537 5.4537 5.6294 5.6294 5.9054 5.9054 6.2464 6.2464 7.0009 7.0009 7.1520 7.1520 7.7423 7.7423 7.7843 7.7843 8.0172 8.0172 8.0968 8.0968 8.5378 8.5378 8.6722 8.6722 9.3055 9.3055 9.8809 9.8809 10.8021 10.8021 12.1480 12.1480 13.1285 13.1285 14.1216 14.1216 k = 0.0833-0.0105 0.0406 ( 2679 PWs) bands (ev): -4.8135 -4.8135 -0.6695 -0.6695 -0.2277 -0.2277 2.6591 2.6591 4.0049 4.0049 4.9241 4.9241 5.4998 5.4998 5.6252 5.6252 5.8992 5.8992 6.2499 6.2499 6.9543 6.9543 7.0871 7.0871 7.7099 7.7099 7.7754 7.7754 8.0074 8.0074 8.0739 8.0739 8.5381 8.5381 8.6712 8.6712 9.3233 9.3233 9.8802 9.8802 10.7682 10.7682 12.1863 12.1863 13.1301 13.1301 14.1597 14.1597 k = 0.0714-0.0090 0.0348 ( 2680 PWs) bands (ev): -4.8275 -4.8275 -0.6468 -0.6468 -0.2312 -0.2312 2.6924 2.6924 4.0004 4.0004 4.9539 4.9539 5.5375 5.5375 5.6325 5.6325 5.8911 5.8911 6.2634 6.2634 6.9079 6.9079 7.0174 7.0174 7.6746 7.6746 7.7717 7.7717 7.9987 7.9987 8.0563 8.0563 8.5383 8.5383 8.6704 8.6704 9.3392 9.3392 9.8796 9.8796 10.7400 10.7400 12.2216 12.2216 13.1313 13.1313 14.1476 14.1476 k = 0.0595-0.0075 0.0290 ( 2675 PWs) bands (ev): -4.8394 -4.8394 -0.6261 -0.6261 -0.2358 -0.2358 2.7208 2.7208 3.9961 3.9961 4.9803 4.9803 5.5561 5.5561 5.6619 5.6619 5.8814 5.8814 6.2860 6.2860 6.8609 6.8609 6.9457 6.9457 7.6421 7.6421 7.7695 7.7695 7.9904 7.9904 8.0438 8.0438 8.5385 8.5385 8.6695 8.6695 9.3530 9.3530 9.8793 9.8793 10.7170 10.7170 12.2533 12.2533 13.1322 13.1322 14.1254 14.1254 k = 0.0476-0.0060 0.0232 ( 2679 PWs) bands (ev): -4.8492 -4.8492 -0.6079 -0.6079 -0.2409 -0.2409 2.7441 2.7441 3.9922 3.9922 5.0020 5.0020 5.5609 5.5609 5.7067 5.7067 5.8713 5.8713 6.3163 6.3163 6.8090 6.8090 6.8793 6.8793 7.6142 7.6142 7.7680 7.7680 7.9825 7.9825 8.0355 8.0355 8.5386 8.5386 8.6688 8.6688 9.3645 9.3645 9.8791 9.8791 10.6989 10.6989 12.2807 12.2807 13.1329 13.1329 14.1013 14.1013 k = 0.0357-0.0045 0.0174 ( 2675 PWs) bands (ev): -4.8567 -4.8567 -0.5927 -0.5927 -0.2459 -0.2459 2.7623 2.7623 3.9890 3.9890 5.0188 5.0188 5.5618 5.5618 5.7530 5.7530 5.8621 5.8621 6.3538 6.3538 6.7452 6.7452 6.8294 6.8294 7.5922 7.5922 7.7669 7.7669 7.9757 7.9757 8.0304 8.0304 8.5388 8.5388 8.6682 8.6682 9.3736 9.3736 9.8790 9.8790 10.6853 10.6853 12.3031 12.3031 13.1334 13.1334 14.0792 14.0792 k = 0.0238-0.0030 0.0116 ( 2674 PWs) bands (ev): -4.8622 -4.8622 -0.5813 -0.5813 -0.2501 -0.2501 2.7754 2.7754 3.9866 3.9866 5.0304 5.0304 5.5622 5.5622 5.7919 5.7919 5.8555 5.8555 6.3977 6.3977 6.6734 6.6734 6.7970 6.7970 7.5762 7.5762 7.7661 7.7661 7.9706 7.9706 8.0274 8.0274 8.5389 8.5389 8.6678 8.6678 9.3802 9.3802 9.8789 9.8789 10.6757 10.6757 12.3196 12.3196 13.1337 13.1337 14.0618 14.0618 k = 0.0119-0.0015 0.0058 ( 2677 PWs) bands (ev): -4.8654 -4.8654 -0.5741 -0.5741 -0.2529 -0.2529 2.7832 2.7832 3.9851 3.9851 5.0372 5.0372 5.5626 5.5626 5.8162 5.8162 5.8533 5.8533 6.4457 6.4457 6.6053 6.6053 6.7782 6.7782 7.5666 7.5666 7.7656 7.7656 7.9673 7.9673 8.0258 8.0258 8.5389 8.5389 8.6675 8.6675 9.3842 9.3842 9.8789 9.8789 10.6701 10.6701 12.3298 12.3298 13.1339 13.1339 14.0508 14.0508 k = 0.0000 0.0000 0.0000 ( 2679 PWs) bands (ev): -4.8665 -4.8665 -0.5717 -0.5717 -0.2539 -0.2539 2.7859 2.7859 3.9846 3.9846 5.0394 5.0394 5.5628 5.5628 5.8233 5.8233 5.8540 5.8540 6.4771 6.4771 6.5667 6.5667 6.7719 6.7719 7.5634 7.5634 7.7654 7.7654 7.9662 7.9662 8.0253 8.0253 8.5389 8.5389 8.6674 8.6674 9.3856 9.3856 9.8789 9.8789 10.6682 10.6682 12.3332 12.3332 13.1339 13.1339 14.0470 14.0470 Writing output data file NiP2.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 165.64s CPU 168.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 165.63s CPU 168.38s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 354 calls) cegterg : 152.48s CPU 154.75s WALL ( 634 calls) Called by sum_band: Called by *egterg: h_psi : 80.72s CPU 82.39s WALL ( 10539 calls) s_psi : 8.23s CPU 8.34s WALL ( 10539 calls) g_psi : 0.18s CPU 0.19s WALL ( 9551 calls) cdiaghg : 60.12s CPU 61.00s WALL ( 9905 calls) cegterg:over : 4.90s CPU 4.97s WALL ( 9551 calls) cegterg:upda : 4.06s CPU 3.79s WALL ( 9551 calls) cegterg:last : 2.28s CPU 2.32s WALL ( 1669 calls) cdiaghg:chol : 3.30s CPU 3.35s WALL ( 9905 calls) cdiaghg:inve : 2.20s CPU 2.21s WALL ( 9905 calls) cdiaghg:para : 3.53s CPU 3.62s WALL ( 19810 calls) Called by h_psi: h_psi:vloc : 63.47s CPU 64.80s WALL ( 10539 calls) h_psi:vnl : 17.11s CPU 17.41s WALL ( 10539 calls) add_vuspsi : 10.08s CPU 9.91s WALL ( 10539 calls) General routines calbec : 7.00s CPU 7.47s WALL ( 10539 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.87s CPU 61.15s WALL ( 935480 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.16s WALL ( 708 calls) Parallel routines fft_scatter : 23.02s CPU 23.38s WALL ( 935503 calls) PWSCF : 2m58.92s CPU 3m19.87s WALL This run was terminated on: 21: 0:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=