Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:42:22 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: ./HfAl3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 103 74 21 1913 1162 187 Max 104 75 22 1914 1177 189 Sum 3711 2671 783 68885 42157 6775 bravais-lattice index = 14 lattice parameter (alat) = 17.2109 a.u. unit-cell volume = 939.1875 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.210941 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.903072 celldm(5)= -0.903072 celldm(6)= 0.806145 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.806145 0.591718 0.000000 ) a(3) = ( -0.903072 -0.295859 0.311332 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.362380 1.606003 ) b(2) = ( 0.000000 1.689994 1.606003 ) b(3) = ( 0.000000 0.000000 3.212006 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Al 3.00 26.98150 Al( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0286786), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0573572), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0860359), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.1147145), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.1433932), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.1720718), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.2007504), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.2294290), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.2581076), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.2867863), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.3154649), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.3441435), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.3728222), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.4015008), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.4301794), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.4588580), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.4875367), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.5162153), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.5448939), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.5735726), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.6022512), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.6309298), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.6596084), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.6882871), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.7169657), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.7456443), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.7743230), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.8030016), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.8316802), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.8603588), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.8890375), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.9177161), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.9463947), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.9750734), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 1.0037520), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 1.0324306), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 1.0611092), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 1.0897879), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 1.1184665), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 1.1471451), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 1.1758238), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 1.2045024), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 1.2331810), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 1.2618596), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 1.2905383), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 1.3192169), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 1.3478955), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 1.3765742), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 1.4052528), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 1.4339314), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 1.4626100), wk = 0.0030303 k( 53) = ( 0.0000000 0.0000000 1.4912887), wk = 0.0030303 k( 54) = ( 0.0000000 0.0000000 1.5199673), wk = 0.0030303 k( 55) = ( 0.0000000 0.0000000 1.5486459), wk = 0.0030303 k( 56) = ( 0.0000000 0.0000000 1.5773246), wk = 0.0030303 k( 57) = ( 0.0000000 0.0000000 1.6060032), wk = 0.0030303 k( 58) = ( 0.0000000 0.0000000 1.6060032), wk = 0.0030303 k( 59) = ( -0.0089442 0.0273012 1.6060032), wk = 0.0030303 k( 60) = ( -0.0178885 0.0546023 1.6060032), wk = 0.0030303 k( 61) = ( -0.0268327 0.0819035 1.6060032), wk = 0.0030303 k( 62) = ( -0.0268327 0.0819035 1.6060032), wk = 0.0030303 k( 63) = ( -0.0330586 0.1009072 1.5860056), wk = 0.0030303 k( 64) = ( -0.0392845 0.1199109 1.5660080), wk = 0.0030303 k( 65) = ( -0.0455104 0.1389147 1.5460104), wk = 0.0030303 k( 66) = ( -0.0517363 0.1579184 1.5260129), wk = 0.0030303 k( 67) = ( -0.0579621 0.1769221 1.5060153), wk = 0.0030303 k( 68) = ( -0.0641880 0.1959259 1.4860177), wk = 0.0030303 k( 69) = ( -0.0704139 0.2149296 1.4660201), wk = 0.0030303 k( 70) = ( -0.0766398 0.2339333 1.4460225), wk = 0.0030303 k( 71) = ( -0.0828657 0.2529370 1.4260249), wk = 0.0030303 k( 72) = ( -0.0890916 0.2719408 1.4060274), wk = 0.0030303 k( 73) = ( -0.0953174 0.2909445 1.3860298), wk = 0.0030303 k( 74) = ( -0.1015433 0.3099482 1.3660322), wk = 0.0030303 k( 75) = ( -0.1077692 0.3289519 1.3460346), wk = 0.0030303 k( 76) = ( -0.1139951 0.3479557 1.3260370), wk = 0.0030303 k( 77) = ( -0.1202210 0.3669594 1.3060394), wk = 0.0030303 k( 78) = ( -0.1264469 0.3859631 1.2860418), wk = 0.0030303 k( 79) = ( -0.1326728 0.4049669 1.2660443), wk = 0.0030303 k( 80) = ( -0.1388987 0.4239706 1.2460467), wk = 0.0030303 k( 81) = ( -0.1451245 0.4429743 1.2260491), wk = 0.0030303 k( 82) = ( -0.1513504 0.4619780 1.2060515), wk = 0.0030303 k( 83) = ( -0.1575763 0.4809818 1.1860539), wk = 0.0030303 k( 84) = ( -0.1638022 0.4999855 1.1660563), wk = 0.0030303 k( 85) = ( -0.1700281 0.5189892 1.1460588), wk = 0.0030303 k( 86) = ( -0.1762540 0.5379929 1.1260612), wk = 0.0030303 k( 87) = ( -0.1824798 0.5569967 1.1060636), wk = 0.0030303 k( 88) = ( -0.1887057 0.5760004 1.0860660), wk = 0.0030303 k( 89) = ( -0.1949316 0.5950041 1.0660684), wk = 0.0030303 k( 90) = ( -0.2011575 0.6140079 1.0460709), wk = 0.0030303 k( 91) = ( -0.2073834 0.6330116 1.0260733), wk = 0.0030303 k( 92) = ( -0.2136093 0.6520153 1.0060757), wk = 0.0030303 k( 93) = ( -0.2198352 0.6710191 0.9860781), wk = 0.0030303 k( 94) = ( -0.2260611 0.6900228 0.9660805), wk = 0.0030303 k( 95) = ( -0.2322869 0.7090265 0.9460829), wk = 0.0030303 k( 96) = ( -0.2385128 0.7280302 0.9260854), wk = 0.0030303 k( 97) = ( -0.2447387 0.7470340 0.9060878), wk = 0.0030303 k( 98) = ( -0.2509646 0.7660377 0.8860902), wk = 0.0030303 k( 99) = ( -0.2571905 0.7850414 0.8660926), wk = 0.0030303 k( 100) = ( -0.2634164 0.8040452 0.8460950), wk = 0.0030303 k( 101) = ( -0.2634164 0.8040452 0.8460950), wk = 0.0030303 k( 102) = ( -0.2571445 0.7849012 0.8259499), wk = 0.0030303 k( 103) = ( -0.2508727 0.7657573 0.8058048), wk = 0.0030303 k( 104) = ( -0.2446009 0.7466133 0.7856597), wk = 0.0030303 k( 105) = ( -0.2383291 0.7274694 0.7655146), wk = 0.0030303 k( 106) = ( -0.2320573 0.7083255 0.7453694), wk = 0.0030303 k( 107) = ( -0.2257854 0.6891816 0.7252243), wk = 0.0030303 k( 108) = ( -0.2195136 0.6700376 0.7050792), wk = 0.0030303 k( 109) = ( -0.2132418 0.6508937 0.6849341), wk = 0.0030303 k( 110) = ( -0.2069700 0.6317498 0.6647890), wk = 0.0030303 k( 111) = ( -0.2006982 0.6126058 0.6446438), wk = 0.0030303 k( 112) = ( -0.1944264 0.5934619 0.6244987), wk = 0.0030303 k( 113) = ( -0.1881545 0.5743180 0.6043536), wk = 0.0030303 k( 114) = ( -0.1818827 0.5551740 0.5842085), wk = 0.0030303 k( 115) = ( -0.1756109 0.5360301 0.5640633), wk = 0.0030303 k( 116) = ( -0.1693391 0.5168862 0.5439182), wk = 0.0030303 k( 117) = ( -0.1630673 0.4977422 0.5237731), wk = 0.0030303 k( 118) = ( -0.1567955 0.4785983 0.5036280), wk = 0.0030303 k( 119) = ( -0.1505236 0.4594544 0.4834829), wk = 0.0030303 k( 120) = ( -0.1442518 0.4403104 0.4633377), wk = 0.0030303 k( 121) = ( -0.1379800 0.4211665 0.4431926), wk = 0.0030303 k( 122) = ( -0.1317082 0.4020226 0.4230475), wk = 0.0030303 k( 123) = ( -0.1254364 0.3828786 0.4029024), wk = 0.0030303 k( 124) = ( -0.1191645 0.3637347 0.3827573), wk = 0.0030303 k( 125) = ( -0.1128927 0.3445908 0.3626121), wk = 0.0030303 k( 126) = ( -0.1066209 0.3254469 0.3424670), wk = 0.0030303 k( 127) = ( -0.1003491 0.3063029 0.3223219), wk = 0.0030303 k( 128) = ( -0.0940773 0.2871590 0.3021768), wk = 0.0030303 k( 129) = ( -0.0878054 0.2680150 0.2820317), wk = 0.0030303 k( 130) = ( -0.0815336 0.2488711 0.2618865), wk = 0.0030303 k( 131) = ( -0.0752618 0.2297272 0.2417414), wk = 0.0030303 k( 132) = ( -0.0689900 0.2105833 0.2215963), wk = 0.0030303 k( 133) = ( -0.0627182 0.1914393 0.2014512), wk = 0.0030303 k( 134) = ( -0.0564464 0.1722954 0.1813061), wk = 0.0030303 k( 135) = ( -0.0501745 0.1531514 0.1611609), wk = 0.0030303 k( 136) = ( -0.0439027 0.1340075 0.1410158), wk = 0.0030303 k( 137) = ( -0.0376309 0.1148636 0.1208707), wk = 0.0030303 k( 138) = ( -0.0313591 0.0957197 0.1007256), wk = 0.0030303 k( 139) = ( -0.0250873 0.0765757 0.0805805), wk = 0.0030303 k( 140) = ( -0.0188155 0.0574318 0.0604353), wk = 0.0030303 k( 141) = ( -0.0125436 0.0382879 0.0402903), wk = 0.0030303 k( 142) = ( -0.0062718 0.0191439 0.0201451), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 145) = ( 0.0263158 0.0086214 -0.0000000), wk = 0.0030303 k( 146) = ( 0.0526316 0.0172428 -0.0000000), wk = 0.0030303 k( 147) = ( 0.0789474 0.0258643 -0.0000000), wk = 0.0030303 k( 148) = ( 0.1052632 0.0344857 -0.0000000), wk = 0.0030303 k( 149) = ( 0.1315790 0.0431071 -0.0000000), wk = 0.0030303 k( 150) = ( 0.1578947 0.0517285 -0.0000000), wk = 0.0030303 k( 151) = ( 0.1842105 0.0603499 -0.0000000), wk = 0.0030303 k( 152) = ( 0.2105263 0.0689713 -0.0000000), wk = 0.0030303 k( 153) = ( 0.2368421 0.0775928 -0.0000000), wk = 0.0030303 k( 154) = ( 0.2631579 0.0862142 -0.0000000), wk = 0.0030303 k( 155) = ( 0.2894737 0.0948356 -0.0000000), wk = 0.0030303 k( 156) = ( 0.3157895 0.1034570 -0.0000000), wk = 0.0030303 k( 157) = ( 0.3421053 0.1120784 -0.0000000), wk = 0.0030303 k( 158) = ( 0.3684211 0.1206999 -0.0000000), wk = 0.0030303 k( 159) = ( 0.3947368 0.1293213 -0.0000000), wk = 0.0030303 k( 160) = ( 0.4210526 0.1379427 -0.0000000), wk = 0.0030303 k( 161) = ( 0.4473684 0.1465641 -0.0000000), wk = 0.0030303 k( 162) = ( 0.4736842 0.1551855 -0.0000000), wk = 0.0030303 k( 163) = ( 0.5000000 0.1638069 -0.0000000), wk = 0.0030303 k( 164) = ( 0.5000000 0.1638069 -0.0000000), wk = 0.0030303 k( 165) = ( 0.4937741 0.1828107 0.0199976), wk = 0.0030303 k( 166) = ( 0.4875482 0.2018144 0.0399952), wk = 0.0030303 k( 167) = ( 0.4813223 0.2208181 0.0599928), wk = 0.0030303 k( 168) = ( 0.4750965 0.2398219 0.0799903), wk = 0.0030303 k( 169) = ( 0.4688706 0.2588256 0.0999879), wk = 0.0030303 k( 170) = ( 0.4626447 0.2778293 0.1199855), wk = 0.0030303 k( 171) = ( 0.4564188 0.2968331 0.1399831), wk = 0.0030303 k( 172) = ( 0.4501929 0.3158368 0.1599807), wk = 0.0030303 k( 173) = ( 0.4439670 0.3348405 0.1799783), wk = 0.0030303 k( 174) = ( 0.4377412 0.3538442 0.1999758), wk = 0.0030303 k( 175) = ( 0.4315153 0.3728480 0.2199734), wk = 0.0030303 k( 176) = ( 0.4252894 0.3918517 0.2399710), wk = 0.0030303 k( 177) = ( 0.4190635 0.4108554 0.2599686), wk = 0.0030303 k( 178) = ( 0.4128376 0.4298591 0.2799662), wk = 0.0030303 k( 179) = ( 0.4066117 0.4488629 0.2999638), wk = 0.0030303 k( 180) = ( 0.4003858 0.4678666 0.3199613), wk = 0.0030303 k( 181) = ( 0.3941599 0.4868703 0.3399589), wk = 0.0030303 k( 182) = ( 0.3879341 0.5058741 0.3599565), wk = 0.0030303 k( 183) = ( 0.3817082 0.5248778 0.3799541), wk = 0.0030303 k( 184) = ( 0.3754823 0.5438815 0.3999517), wk = 0.0030303 k( 185) = ( 0.3692564 0.5628852 0.4199492), wk = 0.0030303 k( 186) = ( 0.3630305 0.5818890 0.4399468), wk = 0.0030303 k( 187) = ( 0.3568046 0.6008927 0.4599444), wk = 0.0030303 k( 188) = ( 0.3505787 0.6198964 0.4799420), wk = 0.0030303 k( 189) = ( 0.3443529 0.6389001 0.4999396), wk = 0.0030303 k( 190) = ( 0.3381270 0.6579039 0.5199372), wk = 0.0030303 k( 191) = ( 0.3319011 0.6769076 0.5399347), wk = 0.0030303 k( 192) = ( 0.3256752 0.6959113 0.5599323), wk = 0.0030303 k( 193) = ( 0.3194493 0.7149151 0.5799299), wk = 0.0030303 k( 194) = ( 0.3132234 0.7339188 0.5999275), wk = 0.0030303 k( 195) = ( 0.3069976 0.7529225 0.6199251), wk = 0.0030303 k( 196) = ( 0.3007717 0.7719263 0.6399227), wk = 0.0030303 k( 197) = ( 0.2945458 0.7909300 0.6599203), wk = 0.0030303 k( 198) = ( 0.2883199 0.8099337 0.6799178), wk = 0.0030303 k( 199) = ( 0.2820940 0.8289374 0.6999154), wk = 0.0030303 k( 200) = ( 0.2758681 0.8479412 0.7199130), wk = 0.0030303 k( 201) = ( 0.2696422 0.8669449 0.7399106), wk = 0.0030303 k( 202) = ( 0.2634164 0.8859486 0.7599082), wk = 0.0030303 k( 203) = ( 0.2634164 0.8859486 0.7599082), wk = 0.0030303 k( 204) = ( 0.2370747 0.8818535 0.7642175), wk = 0.0030303 k( 205) = ( 0.2107331 0.8777583 0.7685268), wk = 0.0030303 k( 206) = ( 0.1843915 0.8736631 0.7728362), wk = 0.0030303 k( 207) = ( 0.1580498 0.8695679 0.7771456), wk = 0.0030303 k( 208) = ( 0.1317082 0.8654728 0.7814549), wk = 0.0030303 k( 209) = ( 0.1053665 0.8613776 0.7857642), wk = 0.0030303 k( 210) = ( 0.0790249 0.8572824 0.7900736), wk = 0.0030303 k( 211) = ( 0.0526833 0.8531872 0.7943829), wk = 0.0030303 k( 212) = ( 0.0263416 0.8490920 0.7986922), wk = 0.0030303 k( 213) = ( 0.0000000 0.8449969 0.8030016), wk = 0.0030303 k( 214) = ( 0.0000000 0.8449969 0.8030016), wk = 0.0030303 k( 215) = ( 0.0062500 0.8259196 0.8230766), wk = 0.0030303 k( 216) = ( 0.0125000 0.8068422 0.8431517), wk = 0.0030303 k( 217) = ( 0.0187500 0.7877649 0.8632267), wk = 0.0030303 k( 218) = ( 0.0250000 0.7686875 0.8833018), wk = 0.0030303 k( 219) = ( 0.0312500 0.7496102 0.9033768), wk = 0.0030303 k( 220) = ( 0.0375000 0.7305329 0.9234518), wk = 0.0030303 k( 221) = ( 0.0437500 0.7114555 0.9435269), wk = 0.0030303 k( 222) = ( 0.0500000 0.6923782 0.9636019), wk = 0.0030303 k( 223) = ( 0.0562500 0.6733009 0.9836770), wk = 0.0030303 k( 224) = ( 0.0625000 0.6542235 1.0037520), wk = 0.0030303 k( 225) = ( 0.0687500 0.6351462 1.0238270), wk = 0.0030303 k( 226) = ( 0.0750000 0.6160689 1.0439021), wk = 0.0030303 k( 227) = ( 0.0812500 0.5969915 1.0639771), wk = 0.0030303 k( 228) = ( 0.0875000 0.5779142 1.0840522), wk = 0.0030303 k( 229) = ( 0.0937500 0.5588369 1.1041272), wk = 0.0030303 k( 230) = ( 0.1000000 0.5397595 1.1242022), wk = 0.0030303 k( 231) = ( 0.1062500 0.5206822 1.1442773), wk = 0.0030303 k( 232) = ( 0.1125000 0.5016049 1.1643523), wk = 0.0030303 k( 233) = ( 0.1187500 0.4825275 1.1844274), wk = 0.0030303 k( 234) = ( 0.1250000 0.4634502 1.2045024), wk = 0.0030303 k( 235) = ( 0.1312500 0.4443728 1.2245774), wk = 0.0030303 k( 236) = ( 0.1375000 0.4252955 1.2446525), wk = 0.0030303 k( 237) = ( 0.1437500 0.4062182 1.2647275), wk = 0.0030303 k( 238) = ( 0.1500000 0.3871408 1.2848026), wk = 0.0030303 k( 239) = ( 0.1562500 0.3680635 1.3048776), wk = 0.0030303 k( 240) = ( 0.1625000 0.3489862 1.3249526), wk = 0.0030303 k( 241) = ( 0.1687500 0.3299088 1.3450277), wk = 0.0030303 k( 242) = ( 0.1750000 0.3108315 1.3651027), wk = 0.0030303 k( 243) = ( 0.1812500 0.2917542 1.3851778), wk = 0.0030303 k( 244) = ( 0.1875000 0.2726768 1.4052528), wk = 0.0030303 k( 245) = ( 0.1937500 0.2535995 1.4253278), wk = 0.0030303 k( 246) = ( 0.2000000 0.2345222 1.4454029), wk = 0.0030303 k( 247) = ( 0.2062500 0.2154448 1.4654779), wk = 0.0030303 k( 248) = ( 0.2125000 0.1963675 1.4855529), wk = 0.0030303 k( 249) = ( 0.2187500 0.1772901 1.5056280), wk = 0.0030303 k( 250) = ( 0.2250000 0.1582128 1.5257030), wk = 0.0030303 k( 251) = ( 0.2312500 0.1391355 1.5457781), wk = 0.0030303 k( 252) = ( 0.2375000 0.1200581 1.5658531), wk = 0.0030303 k( 253) = ( 0.2437500 0.1009808 1.5859281), wk = 0.0030303 k( 254) = ( 0.2500000 0.0819035 1.6060032), wk = 0.0030303 k( 255) = ( 0.2500000 0.0819035 1.6060032), wk = 0.0030303 k( 256) = ( 0.2750000 0.0900938 1.5973845), wk = 0.0030303 k( 257) = ( 0.3000000 0.0982842 1.5887658), wk = 0.0030303 k( 258) = ( 0.3250000 0.1064745 1.5801471), wk = 0.0030303 k( 259) = ( 0.3500000 0.1146649 1.5715284), wk = 0.0030303 k( 260) = ( 0.3750000 0.1228552 1.5629098), wk = 0.0030303 k( 261) = ( 0.4000000 0.1310456 1.5542911), wk = 0.0030303 k( 262) = ( 0.4250000 0.1392359 1.5456724), wk = 0.0030303 k( 263) = ( 0.4500000 0.1474262 1.5370537), wk = 0.0030303 k( 264) = ( 0.4750000 0.1556166 1.5284350), wk = 0.0030303 k( 265) = ( 0.5000000 0.1638069 1.5198164), wk = 0.0030303 k( 266) = ( 0.5000000 0.1638069 1.5198164), wk = 0.0030303 k( 267) = ( 0.5000000 0.1638069 1.4911406), wk = 0.0030303 k( 268) = ( 0.5000000 0.1638069 1.4624648), wk = 0.0030303 k( 269) = ( 0.5000000 0.1638069 1.4337890), wk = 0.0030303 k( 270) = ( 0.5000000 0.1638069 1.4051132), wk = 0.0030303 k( 271) = ( 0.5000000 0.1638069 1.3764374), wk = 0.0030303 k( 272) = ( 0.5000000 0.1638069 1.3477617), wk = 0.0030303 k( 273) = ( 0.5000000 0.1638069 1.3190859), wk = 0.0030303 k( 274) = ( 0.5000000 0.1638069 1.2904101), wk = 0.0030303 k( 275) = ( 0.5000000 0.1638069 1.2617343), wk = 0.0030303 k( 276) = ( 0.5000000 0.1638069 1.2330585), wk = 0.0030303 k( 277) = ( 0.5000000 0.1638069 1.2043827), wk = 0.0030303 k( 278) = ( 0.5000000 0.1638069 1.1757070), wk = 0.0030303 k( 279) = ( 0.5000000 0.1638069 1.1470312), wk = 0.0030303 k( 280) = ( 0.5000000 0.1638069 1.1183554), wk = 0.0030303 k( 281) = ( 0.5000000 0.1638069 1.0896797), wk = 0.0030303 k( 282) = ( 0.5000000 0.1638069 1.0610039), wk = 0.0030303 k( 283) = ( 0.5000000 0.1638069 1.0323281), wk = 0.0030303 k( 284) = ( 0.5000000 0.1638069 1.0036523), wk = 0.0030303 k( 285) = ( 0.5000000 0.1638069 0.9749765), wk = 0.0030303 k( 286) = ( 0.5000000 0.1638069 0.9463007), wk = 0.0030303 k( 287) = ( 0.5000000 0.1638069 0.9176250), wk = 0.0030303 k( 288) = ( 0.5000000 0.1638069 0.8889492), wk = 0.0030303 k( 289) = ( 0.5000000 0.1638069 0.8602734), wk = 0.0030303 k( 290) = ( 0.5000000 0.1638069 0.8315976), wk = 0.0030303 k( 291) = ( 0.5000000 0.1638069 0.8029218), wk = 0.0030303 k( 292) = ( 0.5000000 0.1638069 0.7742460), wk = 0.0030303 k( 293) = ( 0.5000000 0.1638069 0.7455703), wk = 0.0030303 k( 294) = ( 0.5000000 0.1638069 0.7168945), wk = 0.0030303 k( 295) = ( 0.5000000 0.1638069 0.6882187), wk = 0.0030303 k( 296) = ( 0.5000000 0.1638069 0.6595430), wk = 0.0030303 k( 297) = ( 0.5000000 0.1638069 0.6308672), wk = 0.0030303 k( 298) = ( 0.5000000 0.1638069 0.6021914), wk = 0.0030303 k( 299) = ( 0.5000000 0.1638069 0.5735156), wk = 0.0030303 k( 300) = ( 0.5000000 0.1638069 0.5448398), wk = 0.0030303 k( 301) = ( 0.5000000 0.1638069 0.5161640), wk = 0.0030303 k( 302) = ( 0.5000000 0.1638069 0.4874883), wk = 0.0030303 k( 303) = ( 0.5000000 0.1638069 0.4588125), wk = 0.0030303 k( 304) = ( 0.5000000 0.1638069 0.4301367), wk = 0.0030303 k( 305) = ( 0.5000000 0.1638069 0.4014609), wk = 0.0030303 k( 306) = ( 0.5000000 0.1638069 0.3727851), wk = 0.0030303 k( 307) = ( 0.5000000 0.1638069 0.3441094), wk = 0.0030303 k( 308) = ( 0.5000000 0.1638069 0.3154336), wk = 0.0030303 k( 309) = ( 0.5000000 0.1638069 0.2867578), wk = 0.0030303 k( 310) = ( 0.5000000 0.1638069 0.2580820), wk = 0.0030303 k( 311) = ( 0.5000000 0.1638069 0.2294062), wk = 0.0030303 k( 312) = ( 0.5000000 0.1638069 0.2007305), wk = 0.0030303 k( 313) = ( 0.5000000 0.1638069 0.1720547), wk = 0.0030303 k( 314) = ( 0.5000000 0.1638069 0.1433789), wk = 0.0030303 k( 315) = ( 0.5000000 0.1638069 0.1147031), wk = 0.0030303 k( 316) = ( 0.5000000 0.1638069 0.0860273), wk = 0.0030303 k( 317) = ( 0.5000000 0.1638069 0.0573516), wk = 0.0030303 k( 318) = ( 0.5000000 0.1638069 0.0286758), wk = 0.0030303 k( 319) = ( 0.5000000 0.1638069 -0.0000000), wk = 0.0030303 k( 320) = ( 0.0000000 0.0000000 1.6060032), wk = 0.0030303 k( 321) = ( 0.0250000 0.0081903 1.6060032), wk = 0.0030303 k( 322) = ( 0.0500000 0.0163807 1.6060032), wk = 0.0030303 k( 323) = ( 0.0750000 0.0245710 1.6060032), wk = 0.0030303 k( 324) = ( 0.1000000 0.0327614 1.6060032), wk = 0.0030303 k( 325) = ( 0.1250000 0.0409517 1.6060032), wk = 0.0030303 k( 326) = ( 0.1500000 0.0491421 1.6060032), wk = 0.0030303 k( 327) = ( 0.1750000 0.0573324 1.6060032), wk = 0.0030303 k( 328) = ( 0.2000000 0.0655228 1.6060032), wk = 0.0030303 k( 329) = ( 0.2250000 0.0737131 1.6060032), wk = 0.0030303 k( 330) = ( 0.2500000 0.0819035 1.6060032), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0030303 k( 53) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0030303 k( 54) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0030303 k( 55) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0030303 k( 56) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0030303 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 59) = ( -0.0089442 0.0089442 0.5000000), wk = 0.0030303 k( 60) = ( -0.0178885 0.0178885 0.5000000), wk = 0.0030303 k( 61) = ( -0.0268327 0.0268327 0.5000000), wk = 0.0030303 k( 62) = ( -0.0268327 0.0268327 0.5000000), wk = 0.0030303 k( 63) = ( -0.0330586 0.0330586 0.4937741), wk = 0.0030303 k( 64) = ( -0.0392845 0.0392845 0.4875482), wk = 0.0030303 k( 65) = ( -0.0455104 0.0455104 0.4813223), wk = 0.0030303 k( 66) = ( -0.0517363 0.0517363 0.4750965), wk = 0.0030303 k( 67) = ( -0.0579621 0.0579621 0.4688706), wk = 0.0030303 k( 68) = ( -0.0641880 0.0641880 0.4626447), wk = 0.0030303 k( 69) = ( -0.0704139 0.0704139 0.4564188), wk = 0.0030303 k( 70) = ( -0.0766398 0.0766398 0.4501929), wk = 0.0030303 k( 71) = ( -0.0828657 0.0828657 0.4439670), wk = 0.0030303 k( 72) = ( -0.0890916 0.0890916 0.4377412), wk = 0.0030303 k( 73) = ( -0.0953174 0.0953175 0.4315153), wk = 0.0030303 k( 74) = ( -0.1015433 0.1015433 0.4252894), wk = 0.0030303 k( 75) = ( -0.1077692 0.1077692 0.4190635), wk = 0.0030303 k( 76) = ( -0.1139951 0.1139951 0.4128376), wk = 0.0030303 k( 77) = ( -0.1202210 0.1202210 0.4066117), wk = 0.0030303 k( 78) = ( -0.1264469 0.1264469 0.4003858), wk = 0.0030303 k( 79) = ( -0.1326728 0.1326728 0.3941600), wk = 0.0030303 k( 80) = ( -0.1388987 0.1388987 0.3879341), wk = 0.0030303 k( 81) = ( -0.1451245 0.1451245 0.3817082), wk = 0.0030303 k( 82) = ( -0.1513504 0.1513504 0.3754823), wk = 0.0030303 k( 83) = ( -0.1575763 0.1575763 0.3692564), wk = 0.0030303 k( 84) = ( -0.1638022 0.1638022 0.3630305), wk = 0.0030303 k( 85) = ( -0.1700281 0.1700281 0.3568046), wk = 0.0030303 k( 86) = ( -0.1762540 0.1762540 0.3505788), wk = 0.0030303 k( 87) = ( -0.1824798 0.1824798 0.3443529), wk = 0.0030303 k( 88) = ( -0.1887057 0.1887057 0.3381270), wk = 0.0030303 k( 89) = ( -0.1949316 0.1949316 0.3319011), wk = 0.0030303 k( 90) = ( -0.2011575 0.2011575 0.3256752), wk = 0.0030303 k( 91) = ( -0.2073834 0.2073834 0.3194493), wk = 0.0030303 k( 92) = ( -0.2136093 0.2136093 0.3132234), wk = 0.0030303 k( 93) = ( -0.2198352 0.2198352 0.3069976), wk = 0.0030303 k( 94) = ( -0.2260611 0.2260611 0.3007717), wk = 0.0030303 k( 95) = ( -0.2322869 0.2322869 0.2945458), wk = 0.0030303 k( 96) = ( -0.2385128 0.2385128 0.2883199), wk = 0.0030303 k( 97) = ( -0.2447387 0.2447387 0.2820940), wk = 0.0030303 k( 98) = ( -0.2509646 0.2509646 0.2758681), wk = 0.0030303 k( 99) = ( -0.2571905 0.2571905 0.2696422), wk = 0.0030303 k( 100) = ( -0.2634164 0.2634164 0.2634164), wk = 0.0030303 k( 101) = ( -0.2634164 0.2634164 0.2634164), wk = 0.0030303 k( 102) = ( -0.2571445 0.2571445 0.2571445), wk = 0.0030303 k( 103) = ( -0.2508727 0.2508727 0.2508727), wk = 0.0030303 k( 104) = ( -0.2446009 0.2446009 0.2446009), wk = 0.0030303 k( 105) = ( -0.2383291 0.2383291 0.2383291), wk = 0.0030303 k( 106) = ( -0.2320573 0.2320573 0.2320573), wk = 0.0030303 k( 107) = ( -0.2257854 0.2257855 0.2257854), wk = 0.0030303 k( 108) = ( -0.2195136 0.2195136 0.2195136), wk = 0.0030303 k( 109) = ( -0.2132418 0.2132418 0.2132418), wk = 0.0030303 k( 110) = ( -0.2069700 0.2069700 0.2069700), wk = 0.0030303 k( 111) = ( -0.2006982 0.2006982 0.2006982), wk = 0.0030303 k( 112) = ( -0.1944264 0.1944264 0.1944264), wk = 0.0030303 k( 113) = ( -0.1881545 0.1881545 0.1881545), wk = 0.0030303 k( 114) = ( -0.1818827 0.1818827 0.1818827), wk = 0.0030303 k( 115) = ( -0.1756109 0.1756109 0.1756109), wk = 0.0030303 k( 116) = ( -0.1693391 0.1693391 0.1693391), wk = 0.0030303 k( 117) = ( -0.1630673 0.1630673 0.1630673), wk = 0.0030303 k( 118) = ( -0.1567955 0.1567955 0.1567955), wk = 0.0030303 k( 119) = ( -0.1505236 0.1505236 0.1505236), wk = 0.0030303 k( 120) = ( -0.1442518 0.1442518 0.1442518), wk = 0.0030303 k( 121) = ( -0.1379800 0.1379800 0.1379800), wk = 0.0030303 k( 122) = ( -0.1317082 0.1317082 0.1317082), wk = 0.0030303 k( 123) = ( -0.1254364 0.1254364 0.1254364), wk = 0.0030303 k( 124) = ( -0.1191645 0.1191645 0.1191645), wk = 0.0030303 k( 125) = ( -0.1128927 0.1128927 0.1128927), wk = 0.0030303 k( 126) = ( -0.1066209 0.1066209 0.1066209), wk = 0.0030303 k( 127) = ( -0.1003491 0.1003491 0.1003491), wk = 0.0030303 k( 128) = ( -0.0940773 0.0940773 0.0940773), wk = 0.0030303 k( 129) = ( -0.0878054 0.0878055 0.0878054), wk = 0.0030303 k( 130) = ( -0.0815336 0.0815336 0.0815336), wk = 0.0030303 k( 131) = ( -0.0752618 0.0752618 0.0752618), wk = 0.0030303 k( 132) = ( -0.0689900 0.0689900 0.0689900), wk = 0.0030303 k( 133) = ( -0.0627182 0.0627182 0.0627182), wk = 0.0030303 k( 134) = ( -0.0564464 0.0564464 0.0564464), wk = 0.0030303 k( 135) = ( -0.0501745 0.0501745 0.0501745), wk = 0.0030303 k( 136) = ( -0.0439027 0.0439027 0.0439027), wk = 0.0030303 k( 137) = ( -0.0376309 0.0376309 0.0376309), wk = 0.0030303 k( 138) = ( -0.0313591 0.0313591 0.0313591), wk = 0.0030303 k( 139) = ( -0.0250873 0.0250873 0.0250873), wk = 0.0030303 k( 140) = ( -0.0188155 0.0188155 0.0188155), wk = 0.0030303 k( 141) = ( -0.0125436 0.0125436 0.0125436), wk = 0.0030303 k( 142) = ( -0.0062718 0.0062718 0.0062718), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 145) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0030303 k( 146) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0030303 k( 147) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0030303 k( 148) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0030303 k( 149) = ( 0.1315790 0.1315789 -0.1315789), wk = 0.0030303 k( 150) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0030303 k( 151) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0030303 k( 152) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0030303 k( 153) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0030303 k( 154) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0030303 k( 155) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0030303 k( 156) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0030303 k( 157) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0030303 k( 158) = ( 0.3684211 0.3684210 -0.3684210), wk = 0.0030303 k( 159) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0030303 k( 160) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0030303 k( 161) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0030303 k( 162) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0030303 k( 163) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 165) = ( 0.4937741 0.5062259 -0.4937741), wk = 0.0030303 k( 166) = ( 0.4875482 0.5124518 -0.4875482), wk = 0.0030303 k( 167) = ( 0.4813223 0.5186777 -0.4813223), wk = 0.0030303 k( 168) = ( 0.4750965 0.5249035 -0.4750965), wk = 0.0030303 k( 169) = ( 0.4688706 0.5311294 -0.4688706), wk = 0.0030303 k( 170) = ( 0.4626447 0.5373553 -0.4626447), wk = 0.0030303 k( 171) = ( 0.4564188 0.5435812 -0.4564188), wk = 0.0030303 k( 172) = ( 0.4501929 0.5498071 -0.4501929), wk = 0.0030303 k( 173) = ( 0.4439670 0.5560330 -0.4439670), wk = 0.0030303 k( 174) = ( 0.4377412 0.5622588 -0.4377412), wk = 0.0030303 k( 175) = ( 0.4315153 0.5684847 -0.4315153), wk = 0.0030303 k( 176) = ( 0.4252894 0.5747106 -0.4252894), wk = 0.0030303 k( 177) = ( 0.4190635 0.5809365 -0.4190635), wk = 0.0030303 k( 178) = ( 0.4128376 0.5871624 -0.4128376), wk = 0.0030303 k( 179) = ( 0.4066117 0.5933883 -0.4066117), wk = 0.0030303 k( 180) = ( 0.4003858 0.5996142 -0.4003858), wk = 0.0030303 k( 181) = ( 0.3941599 0.6058400 -0.3941599), wk = 0.0030303 k( 182) = ( 0.3879341 0.6120659 -0.3879341), wk = 0.0030303 k( 183) = ( 0.3817082 0.6182918 -0.3817082), wk = 0.0030303 k( 184) = ( 0.3754823 0.6245177 -0.3754823), wk = 0.0030303 k( 185) = ( 0.3692564 0.6307436 -0.3692564), wk = 0.0030303 k( 186) = ( 0.3630305 0.6369695 -0.3630305), wk = 0.0030303 k( 187) = ( 0.3568046 0.6431954 -0.3568046), wk = 0.0030303 k( 188) = ( 0.3505787 0.6494212 -0.3505788), wk = 0.0030303 k( 189) = ( 0.3443529 0.6556471 -0.3443529), wk = 0.0030303 k( 190) = ( 0.3381270 0.6618730 -0.3381270), wk = 0.0030303 k( 191) = ( 0.3319011 0.6680989 -0.3319011), wk = 0.0030303 k( 192) = ( 0.3256752 0.6743248 -0.3256752), wk = 0.0030303 k( 193) = ( 0.3194493 0.6805507 -0.3194493), wk = 0.0030303 k( 194) = ( 0.3132234 0.6867766 -0.3132234), wk = 0.0030303 k( 195) = ( 0.3069976 0.6930024 -0.3069976), wk = 0.0030303 k( 196) = ( 0.3007717 0.6992283 -0.3007717), wk = 0.0030303 k( 197) = ( 0.2945458 0.7054542 -0.2945458), wk = 0.0030303 k( 198) = ( 0.2883199 0.7116801 -0.2883199), wk = 0.0030303 k( 199) = ( 0.2820940 0.7179060 -0.2820940), wk = 0.0030303 k( 200) = ( 0.2758681 0.7241319 -0.2758681), wk = 0.0030303 k( 201) = ( 0.2696422 0.7303578 -0.2696422), wk = 0.0030303 k( 202) = ( 0.2634164 0.7365836 -0.2634164), wk = 0.0030303 k( 203) = ( 0.2634164 0.7365836 -0.2634164), wk = 0.0030303 k( 204) = ( 0.2370747 0.7129253 -0.2370747), wk = 0.0030303 k( 205) = ( 0.2107331 0.6892669 -0.2107331), wk = 0.0030303 k( 206) = ( 0.1843915 0.6656085 -0.1843914), wk = 0.0030303 k( 207) = ( 0.1580498 0.6419502 -0.1580498), wk = 0.0030303 k( 208) = ( 0.1317082 0.6182918 -0.1317082), wk = 0.0030303 k( 209) = ( 0.1053665 0.5946335 -0.1053665), wk = 0.0030303 k( 210) = ( 0.0790249 0.5709751 -0.0790249), wk = 0.0030303 k( 211) = ( 0.0526833 0.5473167 -0.0526833), wk = 0.0030303 k( 212) = ( 0.0263416 0.5236584 -0.0263416), wk = 0.0030303 k( 213) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030303 k( 214) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030303 k( 215) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0030303 k( 216) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0030303 k( 217) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0030303 k( 218) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0030303 k( 219) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0030303 k( 220) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0030303 k( 221) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0030303 k( 222) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0030303 k( 223) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0030303 k( 224) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030303 k( 225) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0030303 k( 226) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0030303 k( 227) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0030303 k( 228) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0030303 k( 229) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0030303 k( 230) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0030303 k( 231) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0030303 k( 232) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0030303 k( 233) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0030303 k( 234) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030303 k( 235) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0030303 k( 236) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0030303 k( 237) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0030303 k( 238) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0030303 k( 239) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0030303 k( 240) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0030303 k( 241) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0030303 k( 242) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0030303 k( 243) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0030303 k( 244) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030303 k( 245) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0030303 k( 246) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0030303 k( 247) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0030303 k( 248) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0030303 k( 249) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0030303 k( 250) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0030303 k( 251) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0030303 k( 252) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0030303 k( 253) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0030303 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 256) = ( 0.2750000 0.2750000 0.2223167), wk = 0.0030303 k( 257) = ( 0.3000000 0.3000000 0.1946335), wk = 0.0030303 k( 258) = ( 0.3250000 0.3250000 0.1669502), wk = 0.0030303 k( 259) = ( 0.3500000 0.3500000 0.1392669), wk = 0.0030303 k( 260) = ( 0.3750000 0.3750000 0.1115836), wk = 0.0030303 k( 261) = ( 0.4000000 0.4000000 0.0839004), wk = 0.0030303 k( 262) = ( 0.4250000 0.4250000 0.0562171), wk = 0.0030303 k( 263) = ( 0.4500000 0.4500000 0.0285338), wk = 0.0030303 k( 264) = ( 0.4750000 0.4750000 0.0008506), wk = 0.0030303 k( 265) = ( 0.5000000 0.5000000 -0.0268327), wk = 0.0030303 k( 266) = ( 0.5000000 0.5000000 -0.0268327), wk = 0.0030303 k( 267) = ( 0.5000000 0.5000000 -0.0357604), wk = 0.0030303 k( 268) = ( 0.5000000 0.5000000 -0.0446881), wk = 0.0030303 k( 269) = ( 0.5000000 0.5000000 -0.0536158), wk = 0.0030303 k( 270) = ( 0.5000000 0.5000000 -0.0625435), wk = 0.0030303 k( 271) = ( 0.5000000 0.5000000 -0.0714711), wk = 0.0030303 k( 272) = ( 0.5000000 0.5000000 -0.0803988), wk = 0.0030303 k( 273) = ( 0.5000000 0.5000000 -0.0893265), wk = 0.0030303 k( 274) = ( 0.5000000 0.5000000 -0.0982542), wk = 0.0030303 k( 275) = ( 0.5000000 0.5000000 -0.1071819), wk = 0.0030303 k( 276) = ( 0.5000000 0.5000000 -0.1161096), wk = 0.0030303 k( 277) = ( 0.5000000 0.5000000 -0.1250372), wk = 0.0030303 k( 278) = ( 0.5000000 0.5000000 -0.1339649), wk = 0.0030303 k( 279) = ( 0.5000000 0.5000000 -0.1428926), wk = 0.0030303 k( 280) = ( 0.5000000 0.5000000 -0.1518203), wk = 0.0030303 k( 281) = ( 0.5000000 0.5000000 -0.1607480), wk = 0.0030303 k( 282) = ( 0.5000000 0.5000000 -0.1696757), wk = 0.0030303 k( 283) = ( 0.5000000 0.5000000 -0.1786034), wk = 0.0030303 k( 284) = ( 0.5000000 0.5000000 -0.1875310), wk = 0.0030303 k( 285) = ( 0.5000000 0.5000000 -0.1964587), wk = 0.0030303 k( 286) = ( 0.5000000 0.5000000 -0.2053864), wk = 0.0030303 k( 287) = ( 0.5000000 0.5000000 -0.2143141), wk = 0.0030303 k( 288) = ( 0.5000000 0.5000000 -0.2232418), wk = 0.0030303 k( 289) = ( 0.5000000 0.5000000 -0.2321695), wk = 0.0030303 k( 290) = ( 0.5000000 0.5000000 -0.2410972), wk = 0.0030303 k( 291) = ( 0.5000000 0.5000000 -0.2500248), wk = 0.0030303 k( 292) = ( 0.5000000 0.5000000 -0.2589525), wk = 0.0030303 k( 293) = ( 0.5000000 0.5000000 -0.2678802), wk = 0.0030303 k( 294) = ( 0.5000000 0.5000000 -0.2768079), wk = 0.0030303 k( 295) = ( 0.5000000 0.5000000 -0.2857356), wk = 0.0030303 k( 296) = ( 0.5000000 0.5000000 -0.2946632), wk = 0.0030303 k( 297) = ( 0.5000000 0.5000000 -0.3035909), wk = 0.0030303 k( 298) = ( 0.5000000 0.5000000 -0.3125186), wk = 0.0030303 k( 299) = ( 0.5000000 0.5000000 -0.3214463), wk = 0.0030303 k( 300) = ( 0.5000000 0.5000000 -0.3303740), wk = 0.0030303 k( 301) = ( 0.5000000 0.5000000 -0.3393017), wk = 0.0030303 k( 302) = ( 0.5000000 0.5000000 -0.3482294), wk = 0.0030303 k( 303) = ( 0.5000000 0.5000000 -0.3571570), wk = 0.0030303 k( 304) = ( 0.5000000 0.5000000 -0.3660847), wk = 0.0030303 k( 305) = ( 0.5000000 0.5000000 -0.3750124), wk = 0.0030303 k( 306) = ( 0.5000000 0.5000000 -0.3839401), wk = 0.0030303 k( 307) = ( 0.5000000 0.5000000 -0.3928678), wk = 0.0030303 k( 308) = ( 0.5000000 0.5000000 -0.4017955), wk = 0.0030303 k( 309) = ( 0.5000000 0.5000000 -0.4107231), wk = 0.0030303 k( 310) = ( 0.5000000 0.5000000 -0.4196508), wk = 0.0030303 k( 311) = ( 0.5000000 0.5000000 -0.4285785), wk = 0.0030303 k( 312) = ( 0.5000000 0.5000000 -0.4375062), wk = 0.0030303 k( 313) = ( 0.5000000 0.5000000 -0.4464339), wk = 0.0030303 k( 314) = ( 0.5000000 0.5000000 -0.4553616), wk = 0.0030303 k( 315) = ( 0.5000000 0.5000000 -0.4642893), wk = 0.0030303 k( 316) = ( 0.5000000 0.5000000 -0.4732170), wk = 0.0030303 k( 317) = ( 0.5000000 0.5000000 -0.4821446), wk = 0.0030303 k( 318) = ( 0.5000000 0.5000000 -0.4910723), wk = 0.0030303 k( 319) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 321) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0030303 k( 322) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030303 k( 323) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0030303 k( 324) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030303 k( 325) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030303 k( 326) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030303 k( 327) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0030303 k( 328) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030303 k( 329) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0030303 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 Dense grid: 68885 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 42157 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 304, 50) NL pseudopotentials 0.63 Mb ( 152, 272) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1914) G-vector shells 0.01 Mb ( 924) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 304, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.42 Mb ( 272, 2, 50) The potential is recalculated from file : ./HfAl3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 8.3 secs Computing kpt #: 4 total cpu time spent up to now is 10.1 secs Computing kpt #: 5 total cpu time spent up to now is 11.9 secs Computing kpt #: 6 total cpu time spent up to now is 13.5 secs Computing kpt #: 7 total cpu time spent up to now is 15.1 secs Computing kpt #: 8 total cpu time spent up to now is 16.4 secs Computing kpt #: 9 total cpu time spent up to now is 17.8 secs Computing kpt #: 10 total cpu time spent up to now is 19.1 secs Computing kpt #: 11 total cpu time spent up to now is 20.4 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 total cpu time spent up to now is 23.1 secs Computing kpt #: 14 total cpu time spent up to now is 24.4 secs Computing kpt #: 15 total cpu time spent up to now is 25.7 secs Computing kpt #: 16 total cpu time spent up to now is 26.9 secs Computing kpt #: 17 total cpu time spent up to now is 28.2 secs Computing kpt #: 18 total cpu time spent up to now is 29.5 secs Computing kpt #: 19 total cpu time spent up to now is 30.8 secs Computing kpt #: 20 total cpu time spent up to now is 32.1 secs Computing kpt #: 21 total cpu time spent up to now is 34.1 secs Computing kpt #: 22 total cpu time spent up to now is 35.4 secs Computing kpt #: 23 total cpu time spent up to now is 36.9 secs Computing kpt #: 24 total cpu time spent up to now is 38.5 secs Computing kpt #: 25 total cpu time spent up to now is 40.1 secs Computing kpt #: 26 total cpu time spent up to now is 41.7 secs Computing kpt #: 27 total cpu time spent up to now is 43.3 secs Computing kpt #: 28 total cpu time spent up to now is 44.8 secs Computing kpt #: 29 total cpu time spent up to now is 46.5 secs Computing kpt #: 30 total cpu time spent up to now is 48.2 secs Computing kpt #: 31 total cpu time spent up to now is 49.8 secs Computing kpt #: 32 total cpu time spent up to now is 51.3 secs Computing kpt #: 33 total cpu time spent up to now is 52.7 secs Computing kpt #: 34 total cpu time spent up to now is 54.0 secs Computing kpt #: 35 total cpu time spent up to now is 55.3 secs Computing kpt #: 36 total cpu time spent up to now is 56.7 secs Computing kpt #: 37 total cpu time spent up to now is 58.0 secs Computing kpt #: 38 total cpu time spent up to now is 59.6 secs Computing kpt #: 39 total cpu time spent up to now is 61.1 secs Computing kpt #: 40 total cpu time spent up to now is 62.6 secs Computing kpt #: 41 total cpu time spent up to now is 64.2 secs Computing kpt #: 42 total cpu time spent up to now is 65.8 secs Computing kpt #: 43 total cpu time spent up to now is 67.3 secs Computing kpt #: 44 total cpu time spent up to now is 68.9 secs Computing kpt #: 45 total cpu time spent up to now is 70.5 secs Computing kpt #: 46 total cpu time spent up to now is 72.1 secs Computing kpt #: 47 total cpu time spent up to now is 73.6 secs Computing kpt #: 48 total cpu time spent up to now is 74.9 secs Computing kpt #: 49 total cpu time spent up to now is 76.2 secs Computing kpt #: 50 total cpu time spent up to now is 77.7 secs Computing kpt #: 51 total cpu time spent up to now is 79.2 secs Computing kpt #: 52 total cpu time spent up to now is 80.5 secs Computing kpt #: 53 total cpu time spent up to now is 82.6 secs Computing kpt #: 54 total cpu time spent up to now is 83.9 secs Computing kpt #: 55 total cpu time spent up to now is 85.4 secs Computing kpt #: 56 total cpu time spent up to now is 86.9 secs Computing kpt #: 57 total cpu time spent up to now is 88.4 secs Computing kpt #: 58 total cpu time spent up to now is 89.9 secs Computing kpt #: 59 total cpu time spent up to now is 91.4 secs Computing kpt #: 60 total cpu time spent up to now is 93.0 secs Computing kpt #: 61 total cpu time spent up to now is 94.5 secs Computing kpt #: 62 total cpu time spent up to now is 96.0 secs Computing kpt #: 63 total cpu time spent up to now is 97.5 secs Computing kpt #: 64 total cpu time spent up to now is 99.0 secs Computing kpt #: 65 total cpu time spent up to now is 100.3 secs Computing kpt #: 66 total cpu time spent up to now is 101.6 secs Computing kpt #: 67 total cpu time spent up to now is 102.9 secs Computing kpt #: 68 total cpu time spent up to now is 104.2 secs Computing kpt #: 69 total cpu time spent up to now is 105.5 secs Computing kpt #: 70 total cpu time spent up to now is 106.8 secs Computing kpt #: 71 total cpu time spent up to now is 108.1 secs Computing kpt #: 72 total cpu time spent up to now is 109.4 secs Computing kpt #: 73 total cpu time spent up to now is 110.8 secs Computing kpt #: 74 total cpu time spent up to now is 112.1 secs Computing kpt #: 75 total cpu time spent up to now is 113.4 secs Computing kpt #: 76 total cpu time spent up to now is 114.8 secs Computing kpt #: 77 total cpu time spent up to now is 116.1 secs Computing kpt #: 78 total cpu time spent up to now is 117.5 secs Computing kpt #: 79 total cpu time spent up to now is 118.8 secs Computing kpt #: 80 total cpu time spent up to now is 120.1 secs Computing kpt #: 81 total cpu time spent up to now is 121.7 secs Computing kpt #: 82 total cpu time spent up to now is 123.2 secs Computing kpt #: 83 total cpu time spent up to now is 124.8 secs Computing kpt #: 84 total cpu time spent up to now is 126.3 secs Computing kpt #: 85 total cpu time spent up to now is 127.9 secs Computing kpt #: 86 total cpu time spent up to now is 129.5 secs Computing kpt #: 87 total cpu time spent up to now is 131.2 secs Computing kpt #: 88 total cpu time spent up to now is 132.9 secs Computing kpt #: 89 total cpu time spent up to now is 135.7 secs Computing kpt #: 90 total cpu time spent up to now is 137.8 secs Computing kpt #: 91 total cpu time spent up to now is 139.4 secs Computing kpt #: 92 total cpu time spent up to now is 141.2 secs Computing kpt #: 93 total cpu time spent up to now is 142.9 secs Computing kpt #: 94 total cpu time spent up to now is 144.6 secs Computing kpt #: 95 total cpu time spent up to now is 146.2 secs Computing kpt #: 96 total cpu time spent up to now is 147.8 secs Computing kpt #: 97 total cpu time spent up to now is 149.5 secs Computing kpt #: 98 total cpu time spent up to now is 151.3 secs Computing kpt #: 99 total cpu time spent up to now is 153.2 secs Computing kpt #: 100 total cpu time spent up to now is 154.8 secs Computing kpt #: 101 total cpu time spent up to now is 156.3 secs Computing kpt #: 102 total cpu time spent up to now is 157.9 secs Computing kpt #: 103 total cpu time spent up to now is 159.6 secs Computing kpt #: 104 total cpu time spent up to now is 161.2 secs Computing kpt #: 105 total cpu time spent up to now is 162.9 secs Computing kpt #: 106 total cpu time spent up to now is 164.5 secs Computing kpt #: 107 total cpu time spent up to now is 166.1 secs Computing kpt #: 108 total cpu time spent up to now is 167.6 secs Computing kpt #: 109 total cpu time spent up to now is 169.4 secs Computing kpt #: 110 total cpu time spent up to now is 171.1 secs Computing kpt #: 111 total cpu time spent up to now is 172.7 secs Computing kpt #: 112 total cpu time spent up to now is 174.3 secs Computing kpt #: 113 total cpu time spent up to now is 175.9 secs Computing kpt #: 114 total cpu time spent up to now is 177.5 secs Computing kpt #: 115 total cpu time spent up to now is 179.1 secs Computing kpt #: 116 total cpu time spent up to now is 180.7 secs Computing kpt #: 117 total cpu time spent up to now is 182.3 secs Computing kpt #: 118 total cpu time spent up to now is 183.9 secs Computing kpt #: 119 total cpu time spent up to now is 185.4 secs Computing kpt #: 120 total cpu time spent up to now is 187.0 secs Computing kpt #: 121 total cpu time spent up to now is 188.6 secs Computing kpt #: 122 total cpu time spent up to now is 190.1 secs Computing kpt #: 123 total cpu time spent up to now is 191.7 secs Computing kpt #: 124 total cpu time spent up to now is 194.2 secs Computing kpt #: 125 total cpu time spent up to now is 195.7 secs Computing kpt #: 126 total cpu time spent up to now is 197.3 secs Computing kpt #: 127 total cpu time spent up to now is 198.8 secs Computing kpt #: 128 total cpu time spent up to now is 200.4 secs Computing kpt #: 129 total cpu time spent up to now is 202.1 secs Computing kpt #: 130 total cpu time spent up to now is 203.8 secs Computing kpt #: 131 total cpu time spent up to now is 205.5 secs Computing kpt #: 132 total cpu time spent up to now is 207.2 secs Computing kpt #: 133 total cpu time spent up to now is 209.2 secs Computing kpt #: 134 total cpu time spent up to now is 210.9 secs Computing kpt #: 135 total cpu time spent up to now is 212.6 secs Computing kpt #: 136 total cpu time spent up to now is 214.3 secs Computing kpt #: 137 total cpu time spent up to now is 216.0 secs Computing kpt #: 138 total cpu time spent up to now is 217.8 secs Computing kpt #: 139 total cpu time spent up to now is 219.5 secs Computing kpt #: 140 total cpu time spent up to now is 221.6 secs Computing kpt #: 141 total cpu time spent up to now is 223.6 secs Computing kpt #: 142 total cpu time spent up to now is 225.7 secs Computing kpt #: 143 total cpu time spent up to now is 227.3 secs Computing kpt #: 144 total cpu time spent up to now is 228.9 secs Computing kpt #: 145 total cpu time spent up to now is 230.6 secs Computing kpt #: 146 total cpu time spent up to now is 232.2 secs Computing kpt #: 147 total cpu time spent up to now is 234.2 secs Computing kpt #: 148 total cpu time spent up to now is 236.0 secs Computing kpt #: 149 total cpu time spent up to now is 237.7 secs Computing kpt #: 150 total cpu time spent up to now is 239.3 secs Computing kpt #: 151 total cpu time spent up to now is 241.0 secs Computing kpt #: 152 total cpu time spent up to now is 242.7 secs Computing kpt #: 153 total cpu time spent up to now is 244.4 secs Computing kpt #: 154 total cpu time spent up to now is 246.1 secs Computing kpt #: 155 total cpu time spent up to now is 247.7 secs Computing kpt #: 156 total cpu time spent up to now is 249.3 secs Computing kpt #: 157 total cpu time spent up to now is 251.0 secs Computing kpt #: 158 total cpu time spent up to now is 252.5 secs Computing kpt #: 159 total cpu time spent up to now is 254.2 secs Computing kpt #: 160 total cpu time spent up to now is 255.8 secs Computing kpt #: 161 total cpu time spent up to now is 257.5 secs Computing kpt #: 162 total cpu time spent up to now is 259.1 secs Computing kpt #: 163 total cpu time spent up to now is 260.7 secs Computing kpt #: 164 total cpu time spent up to now is 262.1 secs Computing kpt #: 165 total cpu time spent up to now is 264.2 secs Computing kpt #: 166 total cpu time spent up to now is 266.1 secs Computing kpt #: 167 total cpu time spent up to now is 267.8 secs Computing kpt #: 168 total cpu time spent up to now is 269.6 secs Computing kpt #: 169 total cpu time spent up to now is 271.5 secs Computing kpt #: 170 total cpu time spent up to now is 273.4 secs Computing kpt #: 171 total cpu time spent up to now is 275.2 secs Computing kpt #: 172 total cpu time spent up to now is 277.0 secs Computing kpt #: 173 total cpu time spent up to now is 278.8 secs Computing kpt #: 174 total cpu time spent up to now is 280.9 secs Computing kpt #: 175 total cpu time spent up to now is 282.8 secs Computing kpt #: 176 total cpu time spent up to now is 284.5 secs Computing kpt #: 177 total cpu time spent up to now is 285.8 secs Computing kpt #: 178 total cpu time spent up to now is 287.1 secs Computing kpt #: 179 total cpu time spent up to now is 288.9 secs Computing kpt #: 180 total cpu time spent up to now is 290.2 secs Computing kpt #: 181 total cpu time spent up to now is 291.5 secs Computing kpt #: 182 total cpu time spent up to now is 292.8 secs Computing kpt #: 183 total cpu time spent up to now is 294.1 secs Computing kpt #: 184 total cpu time spent up to now is 295.4 secs Computing kpt #: 185 total cpu time spent up to now is 296.7 secs Computing kpt #: 186 total cpu time spent up to now is 298.2 secs Computing kpt #: 187 total cpu time spent up to now is 299.8 secs Computing kpt #: 188 total cpu time spent up to now is 301.4 secs Computing kpt #: 189 total cpu time spent up to now is 303.3 secs Computing kpt #: 190 total cpu time spent up to now is 304.9 secs Computing kpt #: 191 total cpu time spent up to now is 306.2 secs Computing kpt #: 192 total cpu time spent up to now is 307.5 secs Computing kpt #: 193 total cpu time spent up to now is 308.8 secs Computing kpt #: 194 total cpu time spent up to now is 310.2 secs Computing kpt #: 195 total cpu time spent up to now is 311.5 secs Computing kpt #: 196 total cpu time spent up to now is 312.8 secs Computing kpt #: 197 total cpu time spent up to now is 314.1 secs Computing kpt #: 198 total cpu time spent up to now is 315.4 secs Computing kpt #: 199 total cpu time spent up to now is 316.8 secs Computing kpt #: 200 total cpu time spent up to now is 318.3 secs Computing kpt #: 201 total cpu time spent up to now is 320.0 secs Computing kpt #: 202 total cpu time spent up to now is 321.7 secs Computing kpt #: 203 total cpu time spent up to now is 323.3 secs Computing kpt #: 204 total cpu time spent up to now is 324.9 secs Computing kpt #: 205 total cpu time spent up to now is 326.4 secs Computing kpt #: 206 total cpu time spent up to now is 328.0 secs Computing kpt #: 207 total cpu time spent up to now is 329.6 secs Computing kpt #: 208 total cpu time spent up to now is 331.3 secs Computing kpt #: 209 total cpu time spent up to now is 333.0 secs Computing kpt #: 210 total cpu time spent up to now is 335.8 secs Computing kpt #: 211 total cpu time spent up to now is 337.8 secs Computing kpt #: 212 total cpu time spent up to now is 340.0 secs Computing kpt #: 213 total cpu time spent up to now is 342.4 secs Computing kpt #: 214 total cpu time spent up to now is 344.5 secs Computing kpt #: 215 total cpu time spent up to now is 346.5 secs Computing kpt #: 216 total cpu time spent up to now is 348.3 secs Computing kpt #: 217 total cpu time spent up to now is 350.0 secs Computing kpt #: 218 total cpu time spent up to now is 351.6 secs Computing kpt #: 219 total cpu time spent up to now is 353.6 secs Computing kpt #: 220 total cpu time spent up to now is 355.3 secs Computing kpt #: 221 total cpu time spent up to now is 357.0 secs Computing kpt #: 222 total cpu time spent up to now is 359.0 secs Computing kpt #: 223 total cpu time spent up to now is 361.0 secs Computing kpt #: 224 total cpu time spent up to now is 362.5 secs Computing kpt #: 225 total cpu time spent up to now is 364.1 secs Computing kpt #: 226 total cpu time spent up to now is 365.6 secs Computing kpt #: 227 total cpu time spent up to now is 367.1 secs Computing kpt #: 228 total cpu time spent up to now is 368.5 secs Computing kpt #: 229 total cpu time spent up to now is 370.1 secs Computing kpt #: 230 total cpu time spent up to now is 371.7 secs Computing kpt #: 231 total cpu time spent up to now is 373.3 secs Computing kpt #: 232 total cpu time spent up to now is 374.9 secs Computing kpt #: 233 total cpu time spent up to now is 376.4 secs Computing kpt #: 234 total cpu time spent up to now is 377.8 secs Computing kpt #: 235 total cpu time spent up to now is 379.2 secs Computing kpt #: 236 total cpu time spent up to now is 380.5 secs Computing kpt #: 237 total cpu time spent up to now is 381.9 secs Computing kpt #: 238 total cpu time spent up to now is 383.2 secs Computing kpt #: 239 total cpu time spent up to now is 384.6 secs Computing kpt #: 240 total cpu time spent up to now is 385.9 secs Computing kpt #: 241 total cpu time spent up to now is 387.3 secs Computing kpt #: 242 total cpu time spent up to now is 388.6 secs Computing kpt #: 243 total cpu time spent up to now is 389.9 secs Computing kpt #: 244 total cpu time spent up to now is 391.2 secs Computing kpt #: 245 total cpu time spent up to now is 392.5 secs Computing kpt #: 246 total cpu time spent up to now is 393.8 secs Computing kpt #: 247 total cpu time spent up to now is 395.1 secs Computing kpt #: 248 total cpu time spent up to now is 396.4 secs Computing kpt #: 249 total cpu time spent up to now is 397.7 secs Computing kpt #: 250 total cpu time spent up to now is 399.0 secs Computing kpt #: 251 total cpu time spent up to now is 400.3 secs Computing kpt #: 252 total cpu time spent up to now is 401.5 secs Computing kpt #: 253 total cpu time spent up to now is 402.8 secs Computing kpt #: 254 total cpu time spent up to now is 404.1 secs Computing kpt #: 255 total cpu time spent up to now is 405.3 secs Computing kpt #: 256 total cpu time spent up to now is 406.6 secs Computing kpt #: 257 total cpu time spent up to now is 408.2 secs Computing kpt #: 258 total cpu time spent up to now is 409.5 secs Computing kpt #: 259 total cpu time spent up to now is 411.0 secs Computing kpt #: 260 total cpu time spent up to now is 412.5 secs Computing kpt #: 261 total cpu time spent up to now is 414.0 secs Computing kpt #: 262 total cpu time spent up to now is 415.6 secs Computing kpt #: 263 total cpu time spent up to now is 417.1 secs Computing kpt #: 264 total cpu time spent up to now is 418.6 secs Computing kpt #: 265 total cpu time spent up to now is 420.1 secs Computing kpt #: 266 total cpu time spent up to now is 421.6 secs Computing kpt #: 267 total cpu time spent up to now is 423.2 secs Computing kpt #: 268 total cpu time spent up to now is 424.7 secs Computing kpt #: 269 total cpu time spent up to now is 426.2 secs Computing kpt #: 270 total cpu time spent up to now is 427.7 secs Computing kpt #: 271 total cpu time spent up to now is 429.2 secs Computing kpt #: 272 total cpu time spent up to now is 430.7 secs Computing kpt #: 273 total cpu time spent up to now is 432.3 secs Computing kpt #: 274 total cpu time spent up to now is 433.8 secs Computing kpt #: 275 total cpu time spent up to now is 435.3 secs Computing kpt #: 276 total cpu time spent up to now is 436.9 secs Computing kpt #: 277 total cpu time spent up to now is 438.4 secs Computing kpt #: 278 total cpu time spent up to now is 439.8 secs Computing kpt #: 279 total cpu time spent up to now is 441.3 secs Computing kpt #: 280 total cpu time spent up to now is 442.9 secs Computing kpt #: 281 total cpu time spent up to now is 444.5 secs Computing kpt #: 282 total cpu time spent up to now is 445.8 secs Computing kpt #: 283 total cpu time spent up to now is 447.1 secs Computing kpt #: 284 total cpu time spent up to now is 448.4 secs Computing kpt #: 285 total cpu time spent up to now is 449.8 secs Computing kpt #: 286 total cpu time spent up to now is 451.1 secs Computing kpt #: 287 total cpu time spent up to now is 452.4 secs Computing kpt #: 288 total cpu time spent up to now is 453.8 secs Computing kpt #: 289 total cpu time spent up to now is 455.1 secs Computing kpt #: 290 total cpu time spent up to now is 456.5 secs Computing kpt #: 291 total cpu time spent up to now is 458.0 secs Computing kpt #: 292 total cpu time spent up to now is 459.6 secs Computing kpt #: 293 total cpu time spent up to now is 461.2 secs Computing kpt #: 294 total cpu time spent up to now is 462.7 secs Computing kpt #: 295 total cpu time spent up to now is 464.3 secs Computing kpt #: 296 total cpu time spent up to now is 465.8 secs Computing kpt #: 297 total cpu time spent up to now is 467.1 secs Computing kpt #: 298 total cpu time spent up to now is 468.5 secs Computing kpt #: 299 total cpu time spent up to now is 469.8 secs Computing kpt #: 300 total cpu time spent up to now is 471.1 secs Computing kpt #: 301 total cpu time spent up to now is 472.7 secs Computing kpt #: 302 total cpu time spent up to now is 474.2 secs Computing kpt #: 303 total cpu time spent up to now is 475.8 secs Computing kpt #: 304 total cpu time spent up to now is 477.5 secs Computing kpt #: 305 total cpu time spent up to now is 479.1 secs Computing kpt #: 306 total cpu time spent up to now is 480.7 secs Computing kpt #: 307 total cpu time spent up to now is 482.4 secs Computing kpt #: 308 total cpu time spent up to now is 484.0 secs Computing kpt #: 309 total cpu time spent up to now is 485.6 secs Computing kpt #: 310 total cpu time spent up to now is 487.8 secs Computing kpt #: 311 total cpu time spent up to now is 489.1 secs Computing kpt #: 312 total cpu time spent up to now is 490.8 secs Computing kpt #: 313 total cpu time spent up to now is 492.5 secs Computing kpt #: 314 total cpu time spent up to now is 494.3 secs Computing kpt #: 315 total cpu time spent up to now is 496.1 secs Computing kpt #: 316 total cpu time spent up to now is 497.8 secs Computing kpt #: 317 total cpu time spent up to now is 499.6 secs Computing kpt #: 318 total cpu time spent up to now is 501.7 secs Computing kpt #: 319 total cpu time spent up to now is 503.3 secs Computing kpt #: 320 total cpu time spent up to now is 504.8 secs Computing kpt #: 321 total cpu time spent up to now is 506.3 secs Computing kpt #: 322 total cpu time spent up to now is 507.9 secs Computing kpt #: 323 total cpu time spent up to now is 509.2 secs Computing kpt #: 324 total cpu time spent up to now is 510.7 secs Computing kpt #: 325 total cpu time spent up to now is 512.2 secs Computing kpt #: 326 total cpu time spent up to now is 513.8 secs Computing kpt #: 327 total cpu time spent up to now is 515.3 secs Computing kpt #: 328 total cpu time spent up to now is 516.8 secs Computing kpt #: 329 total cpu time spent up to now is 518.3 secs Computing kpt #: 330 total cpu time spent up to now is 519.6 secs ethr = 2.38E-08, avg # of iterations = 26.1 total cpu time spent up to now is 519.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5281 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7423 -25.7423 -18.0691 -18.0691 -18.0539 -18.0539 -18.0524 -18.0524 -18.0490 -18.0490 -0.0012 -0.0012 1.9774 1.9774 2.3400 2.3400 6.7621 6.7621 7.6584 7.6584 7.7312 7.7312 7.7394 7.7394 8.3920 8.3920 8.4819 8.4819 8.5773 8.5773 8.6815 8.6815 10.1132 10.1132 10.9062 10.9062 11.1174 11.1174 11.3739 11.3739 11.4516 11.4516 11.6201 11.6201 k = 0.0000 0.0000 0.0287 ( 5285 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7423 -25.7423 -18.0691 -18.0691 -18.0540 -18.0540 -18.0524 -18.0524 -18.0490 -18.0490 0.0005 0.0005 1.9786 1.9786 2.3418 2.3418 6.7629 6.7629 7.6512 7.6512 7.7281 7.7281 7.7289 7.7289 8.3953 8.3953 8.4845 8.4845 8.5775 8.5775 8.6810 8.6810 10.1186 10.1186 10.8941 10.8941 11.0986 11.0986 11.3899 11.3899 11.4520 11.4520 11.6056 11.6056 k = 0.0000 0.0000 0.0574 ( 5293 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7454 -25.7454 -25.7424 -25.7424 -18.0692 -18.0692 -18.0542 -18.0542 -18.0526 -18.0526 -18.0491 -18.0491 0.0055 0.0055 1.9820 1.9820 2.3472 2.3472 6.7654 6.7654 7.6305 7.6305 7.6981 7.6981 7.7195 7.7195 8.4004 8.4004 8.4957 8.4957 8.5760 8.5760 8.6813 8.6813 10.1348 10.1348 10.8561 10.8561 11.0635 11.0635 11.3926 11.3926 11.4662 11.4662 11.5887 11.5887 k = 0.0000 0.0000 0.0860 ( 5281 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7424 -25.7424 -18.0692 -18.0692 -18.0543 -18.0543 -18.0528 -18.0528 -18.0491 -18.0491 0.0138 0.0138 1.9878 1.9878 2.3562 2.3562 6.7695 6.7695 7.5982 7.5982 7.6517 7.6517 7.7036 7.7036 8.3990 8.3990 8.5204 8.5204 8.5679 8.5679 8.6860 8.6860 10.1609 10.1609 10.7937 10.7937 11.0349 11.0349 11.3496 11.3496 11.4857 11.4857 11.5872 11.5872 k = 0.0000 0.0000 0.1147 ( 5283 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7454 -25.7454 -25.7425 -25.7425 -18.0692 -18.0692 -18.0546 -18.0546 -18.0531 -18.0531 -18.0493 -18.0493 0.0254 0.0254 1.9960 1.9960 2.3688 2.3688 6.7750 6.7750 7.5566 7.5566 7.5935 7.5935 7.6803 7.6803 8.3890 8.3890 8.5495 8.5495 8.5572 8.5572 8.6973 8.6973 10.1960 10.1960 10.7154 10.7154 11.0160 11.0160 11.2833 11.2833 11.4978 11.4978 11.5797 11.5797 k = 0.0000 0.0000 0.1434 ( 5283 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7455 -25.7455 -25.7426 -25.7426 -18.0693 -18.0693 -18.0551 -18.0551 -18.0535 -18.0535 -18.0494 -18.0494 0.0403 0.0403 2.0064 2.0064 2.3850 2.3850 6.7818 6.7818 7.5073 7.5073 7.5272 7.5272 7.6497 7.6497 8.3731 8.3731 8.5211 8.5211 8.6004 8.6004 8.7137 8.7137 10.2381 10.2381 10.6304 10.6304 11.0039 11.0039 11.2071 11.2071 11.5083 11.5083 11.5647 11.5647 k = 0.0000 0.0000 0.1721 ( 5283 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7456 -25.7456 -25.7427 -25.7427 -18.0693 -18.0693 -18.0556 -18.0556 -18.0540 -18.0540 -18.0495 -18.0495 0.0585 0.0585 2.0192 2.0192 2.4047 2.4047 6.7896 6.7896 7.4510 7.4510 7.4564 7.4564 7.6120 7.6120 8.3533 8.3533 8.4848 8.4848 8.6460 8.6460 8.7321 8.7321 10.2830 10.2830 10.5468 10.5468 10.9975 10.9975 11.1264 11.1264 11.5185 11.5185 11.5495 11.5495 k = 0.0000 0.0000 0.2008 ( 5283 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7457 -25.7457 -25.7428 -25.7428 -18.0694 -18.0694 -18.0562 -18.0562 -18.0546 -18.0546 -18.0496 -18.0496 0.0799 0.0799 2.0343 2.0343 2.4280 2.4280 6.7981 6.7981 7.3784 7.3784 7.3934 7.3934 7.5678 7.5678 8.3309 8.3309 8.4426 8.4426 8.6909 8.6909 8.7501 8.7501 10.3151 10.3151 10.4814 10.4814 10.9965 10.9965 11.0437 11.0437 11.5244 11.5244 11.5420 11.5420 k = 0.0000 0.0000 0.2294 ( 5279 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7458 -25.7458 -25.7429 -25.7429 -18.0695 -18.0695 -18.0568 -18.0568 -18.0552 -18.0552 -18.0498 -18.0498 0.1047 0.1047 2.0517 2.0517 2.4547 2.4547 6.8067 6.8067 7.3000 7.3000 7.3302 7.3302 7.5175 7.5175 8.3062 8.3062 8.3967 8.3967 8.7332 8.7332 8.7659 8.7659 10.2899 10.2899 10.4790 10.4790 10.9588 10.9588 11.0030 11.0030 11.5210 11.5210 11.5487 11.5487 k = 0.0000 0.0000 0.2581 ( 5271 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7459 -25.7459 -25.7430 -25.7430 -18.0696 -18.0696 -18.0575 -18.0575 -18.0559 -18.0559 -18.0499 -18.0499 0.1327 0.1327 2.0715 2.0715 2.4849 2.4849 6.8150 6.8150 7.2197 7.2197 7.2645 7.2645 7.4619 7.4619 8.2790 8.2790 8.3496 8.3496 8.7679 8.7679 8.7817 8.7817 10.2159 10.2159 10.5311 10.5311 10.8748 10.8748 11.0150 11.0150 11.5195 11.5195 11.5592 11.5592 k = 0.0000 0.0000 0.2868 ( 5277 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7461 -25.7461 -25.7432 -25.7432 -18.0697 -18.0697 -18.0584 -18.0584 -18.0568 -18.0568 -18.0501 -18.0501 0.1639 0.1639 2.0936 2.0936 2.5185 2.5185 6.8222 6.8222 7.1384 7.1384 7.1971 7.1971 7.4014 7.4014 8.2472 8.2472 8.3053 8.3053 8.7802 8.7802 8.8104 8.8104 10.1293 10.1293 10.6005 10.6005 10.7910 10.7910 11.0347 11.0347 11.5242 11.5242 11.5693 11.5693 k = 0.0000 0.0000 0.3155 ( 5282 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7463 -25.7463 -25.7434 -25.7434 -18.0698 -18.0698 -18.0593 -18.0593 -18.0577 -18.0577 -18.0503 -18.0503 0.1984 0.1984 2.1180 2.1180 2.5554 2.5554 6.8273 6.8273 7.0565 7.0565 7.1285 7.1285 7.3369 7.3369 8.2085 8.2085 8.2680 8.2680 8.7818 8.7818 8.8393 8.8393 10.0396 10.0396 10.6716 10.6716 10.7135 10.7135 11.0622 11.0622 11.5360 11.5360 11.5776 11.5776 k = 0.0000 0.0000 0.3441 ( 5272 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7464 -25.7464 -25.7436 -25.7436 -18.0699 -18.0699 -18.0603 -18.0603 -18.0586 -18.0586 -18.0506 -18.0506 0.2361 0.2361 2.1449 2.1449 2.5956 2.5956 6.8291 6.8291 6.9746 6.9746 7.0596 7.0596 7.2689 7.2689 8.1646 8.1646 8.2377 8.2377 8.7772 8.7772 8.8634 8.8634 9.9495 9.9495 10.6195 10.6195 10.7643 10.7643 11.0975 11.0975 11.5549 11.5549 11.5837 11.5837 k = 0.0000 0.0000 0.3728 ( 5272 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7466 -25.7466 -25.7439 -25.7439 -18.0700 -18.0700 -18.0614 -18.0614 -18.0597 -18.0597 -18.0508 -18.0508 0.2769 0.2769 2.1740 2.1740 2.6391 2.6391 6.8256 6.8256 6.8934 6.8934 6.9910 6.9910 7.1980 7.1980 8.1203 8.1203 8.2115 8.2115 8.7670 8.7670 8.8821 8.8821 9.8596 9.8596 10.5373 10.5373 10.8496 10.8496 11.1403 11.1403 11.5776 11.5776 11.5896 11.5896 k = 0.0000 0.0000 0.4015 ( 5266 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7468 -25.7468 -25.7441 -25.7441 -18.0701 -18.0701 -18.0626 -18.0626 -18.0607 -18.0607 -18.0510 -18.0510 0.3209 0.3209 2.2055 2.2055 2.6857 2.6857 6.8039 6.8039 6.8234 6.8234 6.9246 6.9246 7.1248 7.1248 8.0795 8.0795 8.1875 8.1875 8.7515 8.7515 8.8954 8.8954 9.7703 9.7703 10.4551 10.4551 10.9383 10.9383 11.1902 11.1902 11.5807 11.5807 11.6175 11.6175 k = 0.0000 0.0000 0.4302 ( 5260 PWs) bands (ev): -51.3894 -51.3894 -51.3892 -51.3892 -25.7470 -25.7470 -25.7443 -25.7443 -18.0702 -18.0702 -18.0638 -18.0638 -18.0619 -18.0619 -18.0513 -18.0513 0.3680 0.3680 2.2394 2.2394 2.7354 2.7354 6.7283 6.7283 6.7949 6.7949 6.8649 6.8649 7.0499 7.0499 8.0446 8.0446 8.1649 8.1649 8.7313 8.7313 8.9035 8.9035 9.6817 9.6817 10.3736 10.3736 11.0295 11.0295 11.2466 11.2466 11.5729 11.5729 11.6570 11.6570 k = 0.0000 0.0000 0.4589 ( 5268 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7472 -25.7472 -25.7447 -25.7447 -18.0704 -18.0704 -18.0651 -18.0651 -18.0631 -18.0631 -18.0516 -18.0516 0.4183 0.4183 2.2756 2.2756 2.7881 2.7881 6.6487 6.6487 6.7497 6.7497 6.8196 6.8196 6.9738 6.9738 8.0175 8.0175 8.1433 8.1433 8.7068 8.7068 8.9068 8.9068 9.5941 9.5941 10.2931 10.2931 11.1224 11.1224 11.3088 11.3088 11.5576 11.5576 11.7028 11.7028 k = 0.0000 0.0000 0.4875 ( 5278 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7476 -25.7476 -25.7449 -25.7449 -18.0706 -18.0706 -18.0664 -18.0664 -18.0644 -18.0644 -18.0519 -18.0519 0.4716 0.4716 2.3142 2.3142 2.8437 2.8437 6.5697 6.5697 6.6890 6.6890 6.7826 6.7826 6.8968 6.8968 7.9994 7.9994 8.1226 8.1226 8.6787 8.6787 8.9057 8.9057 9.5074 9.5074 10.2136 10.2136 11.2167 11.2167 11.3759 11.3759 11.5336 11.5336 11.7536 11.7536 k = 0.0000 0.0000 0.5162 ( 5266 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7478 -25.7478 -25.7452 -25.7452 -18.0707 -18.0707 -18.0677 -18.0677 -18.0657 -18.0657 -18.0521 -18.0521 0.5279 0.5279 2.3552 2.3552 2.9020 2.9020 6.4917 6.4917 6.6233 6.6233 6.7429 6.7429 6.8195 6.8195 7.9909 7.9909 8.1028 8.1028 8.6477 8.6477 8.9006 8.9006 9.4217 9.4217 10.1353 10.1353 11.3115 11.3115 11.4472 11.4472 11.4993 11.4993 11.8085 11.8085 k = 0.0000 0.0000 0.5449 ( 5278 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7481 -25.7481 -25.7455 -25.7455 -18.0710 -18.0710 -18.0691 -18.0691 -18.0671 -18.0671 -18.0525 -18.0525 0.5872 0.5872 2.3985 2.3985 2.9631 2.9631 6.4148 6.4148 6.5566 6.5566 6.6971 6.6971 6.7422 6.7422 7.9918 7.9918 8.0839 8.0839 8.6142 8.6142 8.8919 8.8919 9.3372 9.3372 10.0584 10.0584 11.4032 11.4032 11.4560 11.4560 11.5219 11.5219 11.8665 11.8665 k = 0.0000 0.0000 0.5736 ( 5282 PWs) bands (ev): -51.3893 -51.3893 -51.3890 -51.3890 -25.7484 -25.7484 -25.7458 -25.7458 -18.0712 -18.0712 -18.0706 -18.0706 -18.0685 -18.0685 -18.0528 -18.0528 0.6495 0.6495 2.4441 2.4441 3.0266 3.0266 6.3392 6.3392 6.4899 6.4899 6.6445 6.6445 6.6654 6.6654 8.0014 8.0014 8.0660 8.0660 8.5789 8.5789 8.8802 8.8802 9.2541 9.2541 9.9830 9.9830 11.3856 11.3856 11.5075 11.5075 11.5991 11.5991 11.9265 11.9265 k = 0.0000 0.0000 0.6023 ( 5286 PWs) bands (ev): -51.3892 -51.3892 -51.3890 -51.3890 -25.7487 -25.7487 -25.7461 -25.7461 -18.0721 -18.0721 -18.0713 -18.0713 -18.0700 -18.0700 -18.0531 -18.0531 0.7148 0.7148 2.4922 2.4922 3.0925 3.0925 6.2650 6.2650 6.4238 6.4238 6.5857 6.5857 6.5896 6.5896 8.0177 8.0177 8.0502 8.0502 8.5423 8.5423 8.8659 8.8659 9.1726 9.1726 9.9092 9.9092 11.3082 11.3082 11.6019 11.6019 11.6781 11.6781 11.9872 11.9872 k = 0.0000 0.0000 0.6309 ( 5274 PWs) bands (ev): -51.3892 -51.3892 -51.3889 -51.3889 -25.7489 -25.7489 -25.7464 -25.7464 -18.0735 -18.0735 -18.0715 -18.0715 -18.0714 -18.0714 -18.0535 -18.0535 0.7829 0.7829 2.5425 2.5425 3.1606 3.1606 6.1923 6.1923 6.3586 6.3586 6.5145 6.5145 6.5223 6.5223 8.0260 8.0260 8.0496 8.0496 8.5048 8.5048 8.8491 8.8491 9.0934 9.0934 9.8371 9.8371 11.2125 11.2125 11.6961 11.6961 11.7581 11.7581 12.0460 12.0460 k = 0.0000 0.0000 0.6596 ( 5270 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7493 -25.7493 -25.7467 -25.7467 -18.0750 -18.0750 -18.0729 -18.0729 -18.0716 -18.0716 -18.0538 -18.0538 0.8539 0.8539 2.5952 2.5952 3.2306 3.2306 6.1211 6.1211 6.2943 6.2943 6.4414 6.4414 6.4543 6.4543 8.0133 8.0133 8.0750 8.0750 8.4668 8.4668 8.8301 8.8301 9.0175 9.0175 9.7670 9.7670 11.1000 11.1000 11.7879 11.7879 11.8385 11.8385 12.0838 12.0838 k = 0.0000 0.0000 0.6883 ( 5278 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7495 -25.7495 -25.7471 -25.7471 -18.0767 -18.0767 -18.0744 -18.0744 -18.0718 -18.0718 -18.0542 -18.0542 0.9276 0.9276 2.6503 2.6503 3.3023 3.3023 6.0514 6.0514 6.2312 6.2312 6.3701 6.3701 6.3832 6.3832 7.9990 7.9990 8.1049 8.1049 8.4290 8.4290 8.8086 8.8086 8.9466 8.9466 9.6990 9.6990 10.9724 10.9724 11.8712 11.8712 11.9187 11.9187 12.0294 12.0294 k = 0.0000 0.0000 0.7170 ( 5278 PWs) bands (ev): -51.3891 -51.3891 -51.3888 -51.3888 -25.7498 -25.7498 -25.7474 -25.7474 -18.0782 -18.0782 -18.0759 -18.0759 -18.0720 -18.0720 -18.0545 -18.0545 1.0042 1.0042 2.7077 2.7077 3.3755 3.3755 5.9835 5.9835 6.1693 6.1693 6.3012 6.3012 6.3101 6.3101 7.9850 7.9850 8.1337 8.1337 8.3918 8.3918 8.7839 8.7839 8.8838 8.8838 9.6331 9.6331 10.8324 10.8324 11.8936 11.8936 11.9984 11.9984 12.0042 12.0042 k = 0.0000 0.0000 0.7456 ( 5278 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7502 -25.7502 -25.7478 -25.7478 -18.0798 -18.0798 -18.0774 -18.0774 -18.0722 -18.0722 -18.0548 -18.0548 1.0834 1.0834 2.7674 2.7674 3.4498 3.4498 5.9172 5.9172 6.1086 6.1086 6.2334 6.2334 6.2373 6.2373 7.9716 7.9716 8.1561 8.1561 8.3560 8.3560 8.7553 8.7553 8.8333 8.8333 9.5695 9.5695 10.6829 10.6829 11.8205 11.8205 12.0690 12.0690 12.0778 12.0778 k = 0.0000 0.0000 0.7743 ( 5260 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7503 -25.7503 -25.7480 -25.7480 -18.0813 -18.0813 -18.0788 -18.0788 -18.0723 -18.0723 -18.0551 -18.0551 1.1652 1.1652 2.8294 2.8294 3.5249 3.5249 5.8527 5.8527 6.0493 6.0493 6.1593 6.1593 6.1733 6.1733 7.9589 7.9589 8.1658 8.1658 8.3223 8.3223 8.7263 8.7263 8.7971 8.7971 9.5085 9.5085 10.5265 10.5265 11.7343 11.7343 12.1417 12.1417 12.1552 12.1552 k = 0.0000 0.0000 0.8030 ( 5264 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7507 -25.7507 -25.7484 -25.7484 -18.0829 -18.0829 -18.0803 -18.0803 -18.0725 -18.0725 -18.0555 -18.0555 1.2497 1.2497 2.8938 2.8938 3.6002 3.6002 5.7900 5.7900 5.9912 5.9912 6.0842 6.0842 6.1143 6.1143 7.9468 7.9468 8.1565 8.1565 8.2903 8.2903 8.7053 8.7053 8.7723 8.7723 9.4501 9.4501 10.3655 10.3655 11.6464 11.6464 12.2086 12.2087 12.2286 12.2286 k = 0.0000 0.0000 0.8317 ( 5260 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7488 -25.7488 -18.0845 -18.0845 -18.0818 -18.0818 -18.0726 -18.0726 -18.0558 -18.0558 1.3366 1.3366 2.9604 2.9604 3.6754 3.6754 5.7291 5.7291 5.9343 5.9343 6.0096 6.0096 6.0597 6.0597 7.9353 7.9353 8.1267 8.1267 8.2571 8.2571 8.6952 8.6952 8.7594 8.7594 9.3946 9.3946 10.2021 10.2021 11.5582 11.5582 12.2637 12.2637 12.2980 12.2980 k = 0.0000 0.0000 0.8604 ( 5260 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7512 -25.7512 -25.7491 -25.7491 -18.0861 -18.0861 -18.0833 -18.0833 -18.0728 -18.0728 -18.0561 -18.0561 1.4260 1.4260 3.0293 3.0293 3.7498 3.7498 5.6701 5.6701 5.8782 5.8782 5.9367 5.9367 6.0101 6.0101 7.9242 7.9242 8.0791 8.0791 8.2213 8.2213 8.6869 8.6869 8.7656 8.7656 9.3422 9.3422 10.0379 10.0379 11.4705 11.4705 12.3004 12.3004 12.3643 12.3643 k = 0.0000 0.0000 0.8890 ( 5272 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7516 -25.7516 -25.7495 -25.7495 -18.0876 -18.0876 -18.0849 -18.0849 -18.0730 -18.0730 -18.0565 -18.0565 1.5178 1.5178 3.1005 3.1005 3.8227 3.8227 5.6129 5.6129 5.8220 5.8220 5.8668 5.8668 5.9660 5.9660 7.9134 7.9134 8.0166 8.0166 8.1842 8.1842 8.6728 8.6728 8.7923 8.7923 9.2931 9.2931 9.8748 9.8748 11.3839 11.3839 12.3144 12.3144 12.4276 12.4276 k = 0.0000 0.0000 0.9177 ( 5266 PWs) bands (ev): -51.3888 -51.3888 -51.3885 -51.3885 -25.7519 -25.7519 -25.7497 -25.7497 -18.0891 -18.0891 -18.0863 -18.0863 -18.0732 -18.0732 -18.0568 -18.0568 1.6119 1.6119 3.1739 3.1739 3.8934 3.8934 5.5576 5.5576 5.7633 5.7633 5.8026 5.8026 5.9283 5.9283 7.9029 7.9029 7.9421 7.9421 8.1478 8.1478 8.6553 8.6553 8.8297 8.8297 9.2477 9.2477 9.7153 9.7153 11.2997 11.2997 12.3043 12.3043 12.4878 12.4878 k = 0.0000 0.0000 0.9464 ( 5266 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7522 -25.7522 -25.7501 -25.7501 -18.0906 -18.0906 -18.0878 -18.0878 -18.0734 -18.0734 -18.0571 -18.0571 1.7082 1.7082 3.2495 3.2495 3.9611 3.9611 5.5042 5.5042 5.7006 5.7006 5.7461 5.7461 5.8978 5.8978 7.8580 7.8580 7.8926 7.8926 8.1129 8.1129 8.6366 8.6366 8.8674 8.8674 9.2067 9.2067 9.5634 9.5634 11.2190 11.2190 12.2718 12.2718 12.5445 12.5445 k = 0.0000 0.0000 0.9751 ( 5252 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7524 -25.7524 -25.7503 -25.7503 -18.0920 -18.0920 -18.0891 -18.0891 -18.0735 -18.0735 -18.0574 -18.0574 1.8066 1.8066 3.3273 3.3273 4.0247 4.0247 5.4528 5.4528 5.6358 5.6358 5.6957 5.6957 5.8753 5.8753 7.7667 7.7667 7.8821 7.8821 8.0799 8.0799 8.6175 8.6175 8.8928 8.8928 9.1702 9.1702 9.4281 9.4281 11.1435 11.1435 12.2199 12.2199 12.5975 12.5975 k = 0.0000 0.0000 1.0038 ( 5268 PWs) bands (ev): -51.3887 -51.3887 -51.3884 -51.3884 -25.7528 -25.7528 -25.7507 -25.7507 -18.0935 -18.0935 -18.0906 -18.0906 -18.0737 -18.0737 -18.0577 -18.0577 1.9070 1.9070 3.4072 3.4072 4.0834 4.0834 5.4033 5.4033 5.5712 5.5712 5.6491 5.6491 5.8618 5.8618 7.6694 7.6694 7.8714 7.8714 8.0485 8.0485 8.5979 8.5979 8.8869 8.8869 9.1352 9.1352 9.3293 9.3293 11.0748 11.0748 12.1518 12.1518 12.6468 12.6468 k = 0.0000 0.0000 1.0324 ( 5274 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7530 -25.7530 -25.7511 -25.7511 -18.0949 -18.0949 -18.0919 -18.0919 -18.0738 -18.0738 -18.0581 -18.0581 2.0094 2.0094 3.4892 3.4892 4.1363 4.1363 5.3558 5.3558 5.5082 5.5082 5.6053 5.6053 5.8581 5.8581 7.5673 7.5673 7.8604 7.8604 8.0188 8.0188 8.5771 8.5771 8.8310 8.8310 9.0958 9.0958 9.2909 9.2909 11.0146 11.0146 12.0708 12.0708 12.6921 12.6921 k = 0.0000 0.0000 1.0611 ( 5268 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7532 -25.7532 -25.7513 -25.7513 -18.0963 -18.0963 -18.0932 -18.0932 -18.0739 -18.0739 -18.0584 -18.0584 2.1134 2.1134 3.5731 3.5731 4.1827 4.1827 5.3104 5.3104 5.4474 5.4474 5.5638 5.5638 5.8649 5.8649 7.4610 7.4610 7.8487 7.8487 7.9908 7.9908 8.5519 8.5519 8.7323 8.7323 9.0582 9.0582 9.3009 9.3009 10.9649 10.9649 11.9795 11.9795 12.7335 12.7335 k = 0.0000 0.0000 1.0898 ( 5264 PWs) bands (ev): -51.3886 -51.3886 -51.3883 -51.3883 -25.7535 -25.7535 -25.7516 -25.7516 -18.0976 -18.0976 -18.0944 -18.0944 -18.0741 -18.0741 -18.0586 -18.0586 2.2191 2.2191 3.6590 3.6590 4.2220 4.2220 5.2670 5.2670 5.3892 5.3892 5.5247 5.5247 5.8824 5.8824 7.3510 7.3510 7.8361 7.8361 7.9644 7.9644 8.5058 8.5058 8.6290 8.6290 9.0271 9.0271 9.3311 9.3311 10.9276 10.9276 11.8802 11.8802 12.7712 12.7712 k = 0.0000 0.0000 1.1185 ( 5272 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7538 -25.7538 -25.7519 -25.7519 -18.0988 -18.0988 -18.0957 -18.0957 -18.0742 -18.0742 -18.0589 -18.0589 2.3263 2.3263 3.7467 3.7467 4.2540 4.2540 5.2256 5.2256 5.3338 5.3338 5.4876 5.4876 5.9109 5.9109 7.2379 7.2379 7.8224 7.8224 7.9396 7.9396 8.4036 8.4036 8.5716 8.5716 9.0014 9.0014 9.3659 9.3659 10.9044 10.9044 11.7749 11.7749 12.8059 12.8059 k = 0.0000 0.0000 1.1471 ( 5266 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7540 -25.7540 -25.7521 -25.7521 -18.1000 -18.1000 -18.0968 -18.0968 -18.0743 -18.0743 -18.0591 -18.0591 2.4347 2.4347 3.8361 3.8361 4.2789 4.2789 5.1863 5.1863 5.2815 5.2815 5.4527 5.4527 5.9498 5.9498 7.1221 7.1221 7.8073 7.8073 7.9166 7.9166 8.2669 8.2669 8.5457 8.5457 8.9797 8.9797 9.3982 9.3982 10.8970 10.8970 11.6652 11.6652 12.8377 12.8377 k = 0.0000 0.0000 1.1758 ( 5256 PWs) bands (ev): -51.3885 -51.3885 -51.3882 -51.3882 -25.7542 -25.7542 -25.7523 -25.7523 -18.1011 -18.1011 -18.0979 -18.0979 -18.0744 -18.0744 -18.0593 -18.0593 2.5440 2.5440 3.9269 3.9269 4.2971 4.2971 5.1490 5.1490 5.2326 5.2326 5.4200 5.4200 5.9985 5.9985 7.0041 7.0041 7.7901 7.7901 7.8952 7.8952 8.1221 8.1221 8.5286 8.5286 8.9616 8.9616 9.4244 9.4244 10.9063 10.9063 11.5526 11.5526 12.8414 12.8414 k = 0.0000 0.0000 1.2045 ( 5252 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7544 -25.7544 -25.7525 -25.7525 -18.1022 -18.1022 -18.0989 -18.0989 -18.0745 -18.0745 -18.0595 -18.0595 2.6542 2.6542 4.0188 4.0188 4.3095 4.3095 5.1138 5.1138 5.1874 5.1874 5.3894 5.3894 6.0559 6.0559 6.8843 6.8843 7.7697 7.7697 7.8756 7.8756 7.9772 7.9772 8.5148 8.5148 8.9465 8.9465 9.4430 9.4430 10.9324 10.9324 11.4384 11.4384 12.8116 12.8116 k = 0.0000 0.0000 1.2332 ( 5252 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7546 -25.7546 -25.7528 -25.7528 -18.1032 -18.1032 -18.0999 -18.0999 -18.0746 -18.0746 -18.0597 -18.0597 2.7647 2.7647 4.1112 4.1112 4.3173 4.3173 5.0806 5.0806 5.1459 5.1459 5.3611 5.3611 6.1207 6.1207 6.7634 6.7634 7.7388 7.7388 7.8409 7.8409 7.8581 7.8581 8.5033 8.5033 8.9344 8.9344 9.4538 9.4538 10.9748 10.9748 11.3237 11.3237 12.7786 12.7786 k = 0.0000 0.0000 1.2619 ( 5244 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7547 -25.7547 -25.7529 -25.7529 -18.1041 -18.1041 -18.1008 -18.1008 -18.0747 -18.0747 -18.0599 -18.0599 2.8752 2.8752 4.2024 4.2024 4.3228 4.3228 5.0495 5.0495 5.1087 5.1087 5.3350 5.3350 6.1910 6.1910 6.6425 6.6425 7.6547 7.6547 7.7590 7.7590 7.8413 7.8413 8.4933 8.4933 8.9248 8.9248 9.4575 9.4575 11.0321 11.0321 11.2098 11.2098 12.7442 12.7442 k = 0.0000 0.0000 1.2905 ( 5256 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7549 -25.7549 -25.7532 -25.7532 -18.1051 -18.1051 -18.1017 -18.1017 -18.0748 -18.0748 -18.0602 -18.0602 2.9853 2.9853 4.2803 4.2803 4.3384 4.3384 5.0206 5.0206 5.0757 5.0757 5.3113 5.3113 6.2637 6.2637 6.5239 6.5239 7.5221 7.5221 7.7257 7.7257 7.8262 7.8262 8.4849 8.4849 8.9177 8.9177 9.4553 9.4553 11.0939 11.0939 11.1063 11.1063 12.7092 12.7092 k = 0.0000 0.0000 1.3192 ( 5250 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7550 -25.7550 -25.7534 -25.7534 -18.1058 -18.1058 -18.1024 -18.1024 -18.0748 -18.0748 -18.0603 -18.0603 3.0942 3.0942 4.3025 4.3025 4.4067 4.4067 4.9942 4.9942 5.0475 5.0475 5.2901 5.2901 6.3203 6.3203 6.4252 6.4252 7.3846 7.3846 7.6990 7.6990 7.8124 7.8124 8.4777 8.4777 8.9127 8.9127 9.4487 9.4487 10.9882 10.9882 11.1846 11.1846 12.6741 12.6741 k = 0.0000 0.0000 1.3479 ( 5254 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7552 -25.7552 -25.7535 -25.7535 -18.1066 -18.1066 -18.1032 -18.1032 -18.0750 -18.0750 -18.0605 -18.0605 3.2013 3.2013 4.3016 4.3016 4.4946 4.4946 4.9706 4.9706 5.0244 5.0244 5.2714 5.2714 6.2577 6.2577 6.4491 6.4491 7.2491 7.2491 7.6722 7.6722 7.7999 7.7999 8.4718 8.4718 8.9097 8.9097 9.4392 9.4392 10.8834 10.8834 11.2753 11.2753 12.6398 12.6398 k = 0.0000 0.0000 1.3766 ( 5268 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7555 -25.7555 -25.7537 -25.7537 -18.1073 -18.1073 -18.1039 -18.1039 -18.0751 -18.0751 -18.0607 -18.0607 3.3055 3.3055 4.2968 4.2968 4.5814 4.5814 4.9504 4.9504 5.0075 5.0075 5.2556 5.2556 6.1459 6.1459 6.5248 6.5248 7.1179 7.1179 7.6443 7.6443 7.7887 7.7887 8.4670 8.4670 8.9082 8.9082 9.4280 9.4280 10.7840 10.7840 11.3731 11.3731 12.6068 12.6068 k = 0.0000 0.0000 1.4053 ( 5260 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7555 -25.7555 -25.7538 -25.7538 -18.1079 -18.1079 -18.1044 -18.1044 -18.0751 -18.0751 -18.0608 -18.0608 3.4055 3.4055 4.2909 4.2909 4.6617 4.6617 4.9337 4.9337 4.9990 4.9990 5.2429 5.2429 6.0328 6.0328 6.6033 6.6033 6.9932 6.9932 7.6149 7.6149 7.7786 7.7786 8.4632 8.4632 8.9081 8.9081 9.4162 9.4162 10.6914 10.6914 11.4760 11.4760 12.5758 12.5758 k = 0.0000 0.0000 1.4339 ( 5260 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7556 -25.7556 -25.7540 -25.7540 -18.1084 -18.1084 -18.1049 -18.1049 -18.0751 -18.0751 -18.0609 -18.0609 3.4999 3.4999 4.2846 4.2846 4.7294 4.7294 4.9204 4.9204 5.0033 5.0033 5.2338 5.2338 5.9235 5.9235 6.6757 6.6757 6.8803 6.8803 7.5838 7.5838 7.7699 7.7699 8.4603 8.4603 8.9091 8.9091 9.4047 9.4047 10.6071 10.6071 11.5821 11.5821 12.5473 12.5473 k = 0.0000 0.0000 1.4626 ( 5264 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7557 -25.7557 -25.7541 -25.7541 -18.1088 -18.1088 -18.1054 -18.1054 -18.0752 -18.0752 -18.0610 -18.0610 3.5867 3.5867 4.2787 4.2787 4.7781 4.7781 4.9098 4.9098 5.0251 5.0251 5.2290 5.2290 5.8205 5.8205 6.7047 6.7047 6.8161 6.8161 7.5514 7.5514 7.7624 7.7624 8.4582 8.4582 8.9107 8.9107 9.3940 9.3940 10.5324 10.5324 11.6891 11.6891 12.5217 12.5217 k = 0.0000 0.0000 1.4913 ( 5272 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1092 -18.1092 -18.1058 -18.1058 -18.0753 -18.0753 -18.0611 -18.0611 3.6635 3.6635 4.2733 4.2733 4.8070 4.8070 4.9011 4.9011 5.0619 5.0619 5.2300 5.2300 5.7266 5.7266 6.6353 6.6353 6.8558 6.8558 7.5184 7.5184 7.7562 7.7562 8.4568 8.4568 8.9127 8.9127 9.3848 9.3848 10.4687 10.4687 11.7939 11.7939 12.4994 12.4994 k = 0.0000 0.0000 1.5200 ( 5264 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1094 -18.1094 -18.1060 -18.1060 -18.0753 -18.0753 -18.0611 -18.0611 3.7275 3.7275 4.2689 4.2689 4.8228 4.8228 4.8942 4.8942 5.1020 5.1020 5.2383 5.2383 5.6452 5.6452 6.5542 6.5542 6.9137 6.9137 7.4861 7.4861 7.7514 7.7514 8.4559 8.4559 8.9147 8.9147 9.3773 9.3773 10.4175 10.4175 11.8922 11.8922 12.4804 12.4804 k = 0.0000 0.0000 1.5486 ( 5260 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7542 -25.7542 -18.1096 -18.1096 -18.1062 -18.1062 -18.0753 -18.0753 -18.0611 -18.0611 3.7760 3.7760 4.2656 4.2656 4.8317 4.8317 4.8890 4.8890 5.1333 5.1333 5.2534 5.2534 5.5805 5.5805 6.4883 6.4883 6.9636 6.9636 7.4575 7.4575 7.7479 7.7479 8.4553 8.4553 8.9164 8.9164 9.3717 9.3717 10.3799 10.3799 11.9772 11.9772 12.4649 12.4649 k = 0.0000 0.0000 1.5773 ( 5256 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7560 -25.7560 -25.7541 -25.7541 -18.1097 -18.1097 -18.1063 -18.1063 -18.0753 -18.0753 -18.0611 -18.0611 3.8064 3.8064 4.2635 4.2635 4.8367 4.8367 4.8858 4.8858 5.1514 5.1514 5.2691 5.2691 5.5381 5.5381 6.4454 6.4454 6.9978 6.9978 7.4367 7.4367 7.7458 7.7458 8.4550 8.4550 8.9176 8.9176 9.3684 9.3684 10.3569 10.3569 12.0380 12.0380 12.4538 12.4538 k = 0.0000 0.0000 1.6060 ( 5244 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1097 -18.1097 -18.1063 -18.1063 -18.0753 -18.0753 -18.0611 -18.0611 3.8167 3.8167 4.2628 4.2628 4.8384 4.8384 4.8848 4.8848 5.1571 5.1571 5.2758 5.2758 5.5231 5.5231 6.4304 6.4304 7.0101 7.0101 7.4290 7.4290 7.7451 7.7451 8.4549 8.4549 8.9180 8.9180 9.3672 9.3672 10.3491 10.3491 12.0606 12.0606 12.4495 12.4495 k = 0.0000 0.0000 1.6060 ( 5244 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1097 -18.1097 -18.1063 -18.1063 -18.0753 -18.0753 -18.0611 -18.0611 3.8167 3.8167 4.2628 4.2628 4.8384 4.8384 4.8848 4.8848 5.1571 5.1571 5.2758 5.2758 5.5231 5.5231 6.4304 6.4304 7.0101 7.0101 7.4290 7.4290 7.7451 7.7451 8.4549 8.4549 8.9180 8.9180 9.3672 9.3672 10.3491 10.3491 12.0606 12.0606 12.4495 12.4495 k =-0.0089 0.0273 1.6060 ( 5248 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1097 -18.1097 -18.1063 -18.1063 -18.0753 -18.0753 -18.0611 -18.0611 3.8158 3.8158 4.2436 4.2436 4.8382 4.8382 4.9017 4.9017 5.1339 5.1339 5.2619 5.2619 5.5661 5.5661 6.4298 6.4298 7.0151 7.0151 7.4288 7.4288 7.7419 7.7419 8.4479 8.4479 8.9187 8.9187 9.3720 9.3720 10.3584 10.3584 12.0625 12.0625 12.4415 12.4415 k =-0.0179 0.0546 1.6060 ( 5244 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1096 -18.1096 -18.1062 -18.1062 -18.0753 -18.0753 -18.0610 -18.0610 3.8128 3.8128 4.1913 4.1913 4.8366 4.8366 4.9469 4.9469 5.0699 5.0699 5.2500 5.2500 5.6606 5.6606 6.4281 6.4281 7.0300 7.0300 7.4283 7.4283 7.7325 7.7325 8.4274 8.4274 8.9208 8.9208 9.3862 9.3862 10.3857 10.3857 12.0682 12.0682 12.4186 12.4186 k =-0.0268 0.0819 1.6060 ( 5252 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1094 -18.1094 -18.1060 -18.1060 -18.0752 -18.0752 -18.0611 -18.0611 3.8071 3.8071 4.1164 4.1164 4.8293 4.8293 4.9889 4.9889 5.0142 5.0142 5.2499 5.2499 5.7739 5.7739 6.4252 6.4252 7.0542 7.0542 7.4274 7.4274 7.7177 7.7177 8.3945 8.3945 8.9247 8.9247 9.4096 9.4096 10.4295 10.4295 12.0772 12.0772 12.3828 12.3828 k =-0.0268 0.0819 1.6060 ( 5252 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1094 -18.1094 -18.1060 -18.1060 -18.0752 -18.0752 -18.0611 -18.0611 3.8071 3.8071 4.1164 4.1164 4.8293 4.8293 4.9889 4.9889 5.0142 5.0142 5.2499 5.2499 5.7739 5.7739 6.4252 6.4252 7.0542 7.0542 7.4274 7.4274 7.7177 7.7177 8.3945 8.3945 8.9247 8.9247 9.4096 9.4096 10.4295 10.4295 12.0772 12.0772 12.3828 12.3828 k =-0.0331 0.1009 1.5860 ( 5260 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1092 -18.1092 -18.1058 -18.1058 -18.0752 -18.0752 -18.0611 -18.0611 3.7968 3.7968 4.0562 4.0562 4.8001 4.8001 4.9622 4.9622 5.0621 5.0621 5.2483 5.2483 5.8611 5.8611 6.4300 6.4300 7.0698 7.0698 7.4302 7.4302 7.7051 7.7051 8.3663 8.3663 8.9283 8.9283 9.4315 9.4315 10.4720 10.4720 12.0730 12.0730 12.3544 12.3544 k =-0.0393 0.1199 1.5660 ( 5258 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7540 -25.7540 -18.1089 -18.1089 -18.1055 -18.1055 -18.0752 -18.0752 -18.0610 -18.0610 3.7768 3.7768 3.9923 3.9923 4.7326 4.7326 4.9773 4.9773 5.1150 5.1150 5.2384 5.2384 5.9557 5.9557 6.4486 6.4486 7.0776 7.0776 7.4389 7.4389 7.6918 7.6918 8.3367 8.3367 8.9326 8.9326 9.4584 9.4584 10.5269 10.5269 12.0467 12.0467 12.3264 12.3264 k =-0.0455 0.1389 1.5460 ( 5252 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7556 -25.7556 -25.7539 -25.7539 -18.1086 -18.1086 -18.1051 -18.1051 -18.0751 -18.0751 -18.0609 -18.0609 3.7488 3.7488 3.9262 3.9262 4.6487 4.6487 5.0139 5.0139 5.1679 5.1679 5.2232 5.2232 6.0555 6.0555 6.4800 6.4800 7.0790 7.0790 7.4505 7.4505 7.6780 7.6780 8.3090 8.3090 8.9376 8.9376 9.4898 9.4898 10.5924 10.5924 12.0028 12.0028 12.2985 12.2985 k =-0.0517 0.1579 1.5260 ( 5250 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7555 -25.7555 -25.7538 -25.7538 -18.1082 -18.1082 -18.1047 -18.1047 -18.0750 -18.0750 -18.0608 -18.0608 3.7144 3.7144 3.8591 3.8591 4.5598 4.5598 5.0544 5.0544 5.1988 5.1988 5.2308 5.2308 6.1591 6.1591 6.5225 6.5225 7.0765 7.0765 7.4613 7.4613 7.6641 7.6641 8.2868 8.2868 8.9431 8.9431 9.5254 9.5254 10.6667 10.6667 11.9475 11.9475 12.2706 12.2706 k =-0.0580 0.1769 1.5060 ( 5254 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7554 -25.7554 -25.7538 -25.7538 -18.1077 -18.1077 -18.1043 -18.1043 -18.0749 -18.0749 -18.0608 -18.0608 3.6753 3.6753 3.7916 3.7916 4.4697 4.4697 5.0744 5.0744 5.2086 5.2086 5.2799 5.2799 6.2655 6.2655 6.5744 6.5744 7.0720 7.0720 7.4682 7.4682 7.6499 7.6499 8.2737 8.2737 8.9492 8.9492 9.5647 9.5647 10.7482 10.7482 11.8860 11.8860 12.2434 12.2434 k =-0.0642 0.1959 1.4860 ( 5253 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7553 -25.7553 -25.7536 -25.7536 -18.1072 -18.1072 -18.1038 -18.1038 -18.0748 -18.0748 -18.0606 -18.0606 3.6327 3.6327 3.7243 3.7243 4.3800 4.3800 5.0571 5.0571 5.2536 5.2536 5.3296 5.3296 6.3738 6.3738 6.6339 6.6339 7.0673 7.0673 7.4695 7.4695 7.6351 7.6351 8.2728 8.2728 8.9558 8.9558 9.6071 9.6071 10.8353 10.8353 11.8220 11.8220 12.2178 12.2178 k =-0.0704 0.2149 1.4660 ( 5257 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7552 -25.7552 -25.7535 -25.7535 -18.1066 -18.1066 -18.1032 -18.1032 -18.0747 -18.0747 -18.0605 -18.0605 3.5877 3.5877 3.6578 3.6578 4.2914 4.2914 5.0194 5.0194 5.3191 5.3191 5.3766 5.3766 6.4830 6.4830 6.6995 6.6995 7.0633 7.0633 7.4648 7.4648 7.6200 7.6200 8.2855 8.2855 8.9628 8.9628 9.6522 9.6522 10.9264 10.9264 11.7582 11.7582 12.1950 12.1950 k =-0.0766 0.2339 1.4460 ( 5255 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7551 -25.7551 -25.7533 -25.7533 -18.1059 -18.1059 -18.1027 -18.1027 -18.0745 -18.0745 -18.0603 -18.0603 3.5408 3.5408 3.5924 3.5924 4.2043 4.2043 4.9735 4.9735 5.3918 5.3918 5.4207 5.4207 6.5918 6.5918 6.7703 6.7703 7.0602 7.0602 7.4548 7.4548 7.6065 7.6065 8.3120 8.3120 8.9699 8.9699 9.6993 9.6993 11.0202 11.0202 11.6965 11.6965 12.1757 12.1757 k =-0.0829 0.2529 1.4260 ( 5257 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7550 -25.7550 -25.7532 -25.7532 -18.1053 -18.1053 -18.1021 -18.1021 -18.0743 -18.0743 -18.0601 -18.0601 3.4925 3.4925 3.5288 3.5288 4.1190 4.1190 4.9238 4.9238 5.4506 5.4506 5.4782 5.4782 6.6984 6.6984 6.8457 6.8457 7.0576 7.0576 7.4407 7.4407 7.5978 7.5978 8.3508 8.3508 8.9773 8.9773 9.7478 9.7478 11.1152 11.1152 11.6383 11.6383 12.1608 12.1608 k =-0.0891 0.2719 1.4060 ( 5259 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7548 -25.7548 -25.7530 -25.7530 -18.1046 -18.1046 -18.1015 -18.1015 -18.0740 -18.0740 -18.0598 -18.0598 3.4420 3.4420 3.4684 3.4684 4.0357 4.0357 4.8722 4.8722 5.4845 5.4845 5.5574 5.5574 6.7995 6.7995 6.9261 6.9261 7.0545 7.0545 7.4253 7.4253 7.5976 7.5976 8.3998 8.3998 8.9846 8.9846 9.7972 9.7972 11.2100 11.2100 11.5851 11.5851 12.1509 12.1509 k =-0.0953 0.2909 1.3860 ( 5266 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7547 -25.7547 -25.7529 -25.7529 -18.1039 -18.1039 -18.1009 -18.1009 -18.0737 -18.0737 -18.0595 -18.0595 3.3881 3.3881 3.4130 3.4130 3.9547 3.9547 4.8197 4.8197 5.5104 5.5104 5.6396 5.6396 6.8908 6.8908 7.0101 7.0101 7.0518 7.0518 7.4126 7.4126 7.6090 7.6090 8.4571 8.4571 8.9920 8.9920 9.8468 9.8468 11.3030 11.3030 11.5382 11.5382 12.1465 12.1465 k =-0.1015 0.3099 1.3660 ( 5268 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7545 -25.7545 -25.7527 -25.7527 -18.1032 -18.1032 -18.1003 -18.1003 -18.0733 -18.0733 -18.0592 -18.0592 3.3311 3.3311 3.3626 3.3626 3.8759 3.8759 4.7670 4.7670 5.5297 5.5297 5.7223 5.7223 6.9669 6.9669 7.0344 7.0344 7.1129 7.1129 7.4077 7.4077 7.6342 7.6342 8.5209 8.5209 8.9993 8.9993 9.8959 9.8959 11.3915 11.3915 11.5000 11.5000 12.1483 12.1483 k =-0.1078 0.3290 1.3460 ( 5267 PWs) bands (ev): -51.3885 -51.3885 -51.3882 -51.3882 -25.7543 -25.7543 -25.7525 -25.7525 -18.1025 -18.1025 -18.0998 -18.0998 -18.0728 -18.0728 -18.0589 -18.0589 3.2737 3.2737 3.3152 3.3152 3.7995 3.7995 4.7147 4.7147 5.5426 5.5426 5.8043 5.8043 6.9982 6.9982 7.0515 7.0515 7.2100 7.2100 7.4151 7.4151 7.6749 7.6749 8.5896 8.5896 9.0066 9.0066 9.9438 9.9438 11.4479 11.4479 11.4978 11.4978 12.1565 12.1565 k =-0.1140 0.3480 1.3260 ( 5271 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7541 -25.7541 -25.7523 -25.7523 -18.1018 -18.1018 -18.0992 -18.0992 -18.0723 -18.0723 -18.0585 -18.0585 3.2171 3.2171 3.2695 3.2695 3.7256 3.7256 4.6630 4.6630 5.5493 5.5493 5.8843 5.8843 6.9768 6.9768 7.1016 7.1016 7.3082 7.3082 7.4382 7.4382 7.7315 7.7315 8.6620 8.6620 9.0142 9.0142 9.9901 9.9901 11.4335 11.4335 11.5698 11.5698 12.1710 12.1710 k =-0.1202 0.3670 1.3060 ( 5277 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7539 -25.7539 -25.7522 -25.7522 -18.1011 -18.1011 -18.0987 -18.0987 -18.0717 -18.0717 -18.0581 -18.0581 3.1621 3.1621 3.2253 3.2253 3.6543 3.6543 4.6124 4.6124 5.5504 5.5504 5.9613 5.9613 6.9444 6.9444 7.1472 7.1472 7.4023 7.4023 7.4793 7.4793 7.8034 7.8034 8.7367 8.7367 9.0227 9.0227 10.0342 10.0342 11.4197 11.4197 11.6451 11.6451 12.1914 12.1914 k =-0.1264 0.3860 1.2860 ( 5276 PWs) bands (ev): -51.3886 -51.3886 -51.3883 -51.3883 -25.7537 -25.7537 -25.7520 -25.7520 -18.1004 -18.1004 -18.0983 -18.0983 -18.0711 -18.0711 -18.0576 -18.0576 3.1087 3.1087 3.1826 3.1826 3.5856 3.5856 4.5630 4.5630 5.5463 5.5463 6.0340 6.0340 6.9072 6.9072 7.1872 7.1872 7.4863 7.4863 7.5414 7.5414 7.8886 7.8886 8.8114 8.8114 9.0335 9.0335 10.0759 10.0759 11.4147 11.4147 11.7154 11.7154 12.2169 12.2169 k =-0.1327 0.4050 1.2660 ( 5281 PWs) bands (ev): -51.3886 -51.3886 -51.3883 -51.3883 -25.7535 -25.7535 -25.7517 -25.7517 -18.0998 -18.0998 -18.0979 -18.0979 -18.0704 -18.0704 -18.0571 -18.0571 3.0573 3.0573 3.1413 3.1413 3.5197 3.5197 4.5151 4.5151 5.5376 5.5376 6.1014 6.1014 6.8677 6.8677 7.2252 7.2252 7.5597 7.5597 7.6220 7.6220 7.9843 7.9843 8.8818 8.8818 9.0506 9.0506 10.1152 10.1152 11.4193 11.4193 11.7806 11.7806 12.2459 12.2459 k =-0.1389 0.4240 1.2460 ( 5273 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7533 -25.7533 -25.7515 -25.7515 -18.0992 -18.0992 -18.0975 -18.0975 -18.0696 -18.0696 -18.0564 -18.0564 3.0078 3.0078 3.1015 3.1015 3.4565 3.4565 4.4687 4.4687 5.5251 5.5251 6.1622 6.1622 6.8274 6.8274 7.2646 7.2646 7.6320 7.6320 7.7092 7.7092 8.0877 8.0877 8.9382 8.9382 9.0834 9.0834 10.1523 10.1523 11.4337 11.4337 11.8412 11.8412 12.2764 12.2764 k =-0.1451 0.4430 1.2260 ( 5281 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7531 -25.7531 -25.7513 -25.7513 -18.0986 -18.0986 -18.0972 -18.0972 -18.0688 -18.0688 -18.0558 -18.0558 2.9604 2.9604 3.0632 3.0632 3.3962 3.3962 4.4241 4.4241 5.5093 5.5093 6.2156 6.2156 6.7874 6.7874 7.3084 7.3084 7.7073 7.7073 7.7969 7.7969 8.1960 8.1960 8.9715 8.9715 9.1405 9.1405 10.1881 10.1881 11.4574 11.4574 11.8982 11.8982 12.3065 12.3065 k =-0.1514 0.4620 1.2061 ( 5286 PWs) bands (ev): -51.3887 -51.3887 -51.3884 -51.3884 -25.7530 -25.7530 -25.7511 -25.7511 -18.0981 -18.0981 -18.0970 -18.0970 -18.0680 -18.0680 -18.0552 -18.0552 2.9151 2.9151 3.0265 3.0265 3.3387 3.3387 4.3813 4.3813 5.4909 5.4909 6.2610 6.2610 6.7485 6.7485 7.3582 7.3582 7.7859 7.7859 7.8832 7.8832 8.3072 8.3072 8.9874 8.9874 9.2164 9.2164 10.2235 10.2235 11.4898 11.4898 11.9525 11.9525 12.3341 12.3341 k =-0.1576 0.4810 1.1861 ( 5292 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7528 -25.7528 -25.7509 -25.7509 -18.0976 -18.0976 -18.0968 -18.0968 -18.0671 -18.0671 -18.0545 -18.0545 2.8720 2.8720 2.9914 2.9914 3.2842 3.2842 4.3404 4.3404 5.4705 5.4705 6.2982 6.2982 6.7111 6.7111 7.4149 7.4149 7.8671 7.8671 7.9674 7.9674 8.4193 8.4193 8.9951 8.9951 9.3015 9.3015 10.2600 10.2600 11.5297 11.5297 12.0045 12.0045 12.3580 12.3580 k =-0.1638 0.5000 1.1661 ( 5292 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7526 -25.7526 -25.7507 -25.7507 -18.0972 -18.0972 -18.0966 -18.0966 -18.0662 -18.0662 -18.0538 -18.0538 2.8311 2.8311 2.9581 2.9581 3.2328 3.2328 4.3015 4.3015 5.4487 5.4487 6.3275 6.3275 6.6756 6.6756 7.4785 7.4785 7.9501 7.9501 8.0491 8.0491 8.5308 8.5308 8.9989 8.9989 9.3916 9.3916 10.2989 10.2989 11.5760 11.5760 12.0539 12.0539 12.3773 12.3773 k =-0.1700 0.5190 1.1461 ( 5284 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7524 -25.7524 -25.7504 -25.7504 -18.0968 -18.0968 -18.0964 -18.0964 -18.0653 -18.0653 -18.0530 -18.0530 2.7925 2.7925 2.9264 2.9264 3.1844 3.1844 4.2648 4.2648 5.4259 5.4259 6.3496 6.3496 6.6424 6.6424 7.5486 7.5486 8.0341 8.0341 8.1275 8.1275 8.6402 8.6402 9.0007 9.0007 9.4847 9.4847 10.3418 10.3418 11.6270 11.6270 12.0990 12.0990 12.3925 12.3925 k =-0.1763 0.5380 1.1261 ( 5284 PWs) bands (ev): -51.3888 -51.3888 -51.3885 -51.3885 -25.7522 -25.7522 -25.7502 -25.7502 -18.0965 -18.0965 -18.0962 -18.0962 -18.0643 -18.0643 -18.0523 -18.0523 2.7563 2.7563 2.8964 2.8964 3.1390 3.1390 4.2302 4.2302 5.4027 5.4027 6.3655 6.3655 6.6116 6.6116 7.6239 7.6239 8.1184 8.1184 8.2023 8.2023 8.7461 8.7461 9.0016 9.0016 9.5801 9.5801 10.3902 10.3902 11.6813 11.6813 12.1357 12.1357 12.4055 12.4055 k =-0.1825 0.5570 1.1061 ( 5290 PWs) bands (ev): -51.3888 -51.3888 -51.3885 -51.3885 -25.7521 -25.7521 -25.7501 -25.7501 -18.0964 -18.0964 -18.0960 -18.0960 -18.0634 -18.0634 -18.0516 -18.0516 2.7223 2.7223 2.8683 2.8683 3.0969 3.0969 4.1977 4.1977 5.3795 5.3795 6.3760 6.3760 6.5832 6.5832 7.7034 7.7034 8.2022 8.2022 8.2729 8.2729 8.8469 8.8469 9.0030 9.0030 9.6773 9.6773 10.4455 10.4455 11.7370 11.7370 12.1571 12.1571 12.4211 12.4211 k =-0.1887 0.5760 1.0861 ( 5292 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7519 -25.7519 -25.7499 -25.7499 -18.0964 -18.0964 -18.0957 -18.0957 -18.0625 -18.0625 -18.0509 -18.0509 2.6908 2.6908 2.8419 2.8419 3.0579 3.0579 4.1675 4.1675 5.3567 5.3567 6.3821 6.3821 6.5575 6.5575 7.7856 7.7856 8.2843 8.2843 8.3391 8.3391 8.9361 8.9361 9.0105 9.0105 9.7760 9.7760 10.5086 10.5086 11.7921 11.7921 12.1553 12.1553 12.4445 12.4445 k =-0.1949 0.5950 1.0661 ( 5288 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7517 -25.7517 -25.7497 -25.7497 -18.0964 -18.0964 -18.0955 -18.0955 -18.0617 -18.0617 -18.0502 -18.0502 2.6616 2.6616 2.8174 2.8174 3.0220 3.0220 4.1396 4.1396 5.3345 5.3345 6.3846 6.3846 6.5345 6.5345 7.8693 7.8693 8.3632 8.3632 8.4011 8.4011 8.9792 8.9792 9.0585 9.0585 9.8760 9.8760 10.5801 10.5801 11.8439 11.8439 12.1276 12.1276 12.4728 12.4728 k =-0.2012 0.6140 1.0461 ( 5290 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7516 -25.7516 -25.7496 -25.7496 -18.0964 -18.0964 -18.0953 -18.0953 -18.0608 -18.0608 -18.0495 -18.0495 2.6349 2.6349 2.7947 2.7947 2.9894 2.9894 4.1141 4.1141 5.3133 5.3133 6.3843 6.3843 6.5142 6.5142 7.9529 7.9529 8.4343 8.4343 8.4622 8.4622 8.9844 8.9844 9.1385 9.1385 9.9771 9.9771 10.6602 10.6602 11.8889 11.8889 12.0775 12.0775 12.4374 12.4374 k =-0.2074 0.6330 1.0261 ( 5292 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7514 -25.7514 -25.7495 -25.7495 -18.0964 -18.0964 -18.0951 -18.0951 -18.0600 -18.0600 -18.0489 -18.0489 2.6107 2.6107 2.7740 2.7740 2.9600 2.9600 4.0908 4.0908 5.2935 5.2935 6.3818 6.3818 6.4967 6.4967 8.0352 8.0352 8.4904 8.4904 8.5286 8.5286 8.9840 8.9840 9.2180 9.2180 10.0792 10.0792 10.7484 10.7484 11.9220 11.9220 12.0112 12.0112 12.3794 12.3794 k =-0.2136 0.6520 1.0061 ( 5286 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7513 -25.7513 -25.7493 -25.7493 -18.0964 -18.0964 -18.0949 -18.0949 -18.0593 -18.0593 -18.0483 -18.0483 2.5889 2.5889 2.7552 2.7552 2.9338 2.9338 4.0700 4.0700 5.2751 5.2751 6.3777 6.3777 6.4818 6.4818 8.1148 8.1148 8.5344 8.5344 8.5963 8.5963 8.9823 8.9823 9.2927 9.2927 10.1819 10.1819 10.8440 10.8440 11.9243 11.9243 11.9460 11.9460 12.3342 12.3342 k =-0.2198 0.6710 0.9861 ( 5284 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7512 -25.7512 -25.7491 -25.7491 -18.0964 -18.0964 -18.0948 -18.0948 -18.0587 -18.0587 -18.0477 -18.0477 2.5697 2.5697 2.7384 2.7384 2.9108 2.9108 4.0515 4.0515 5.2585 5.2585 6.3726 6.3726 6.4694 6.4694 8.1902 8.1902 8.5707 8.5707 8.6601 8.6601 8.9802 8.9802 9.3613 9.3613 10.2852 10.2852 10.9455 10.9455 11.8429 11.8429 11.9338 11.9338 12.3080 12.3080 k =-0.2261 0.6900 0.9661 ( 5288 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7511 -25.7511 -25.7490 -25.7490 -18.0965 -18.0965 -18.0947 -18.0947 -18.0581 -18.0581 -18.0472 -18.0472 2.5530 2.5530 2.7237 2.7237 2.8909 2.8909 4.0355 4.0355 5.2437 5.2437 6.3670 6.3670 6.4592 6.4592 8.2601 8.2601 8.6002 8.6002 8.7183 8.7183 8.9782 8.9782 9.4232 9.4232 10.3886 10.3886 11.0510 11.0510 11.7510 11.7510 11.9063 11.9063 12.2994 12.2994 k =-0.2323 0.7090 0.9461 ( 5284 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7510 -25.7510 -25.7489 -25.7489 -18.0965 -18.0965 -18.0946 -18.0946 -18.0576 -18.0576 -18.0468 -18.0468 2.5388 2.5388 2.7112 2.7112 2.8742 2.8742 4.0219 4.0219 5.2310 5.2310 6.3615 6.3615 6.4511 6.4511 8.3231 8.3231 8.6238 8.6238 8.7695 8.7695 8.9762 8.9762 9.4779 9.4779 10.4915 10.4915 11.1577 11.1577 11.6563 11.6563 11.8670 11.8670 12.3002 12.3002 k =-0.2385 0.7280 0.9261 ( 5283 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7488 -25.7488 -18.0965 -18.0965 -18.0945 -18.0945 -18.0571 -18.0571 -18.0465 -18.0465 2.5272 2.5272 2.7008 2.7008 2.8605 2.8605 4.0108 4.0108 5.2204 5.2204 6.3564 6.3564 6.4448 6.4448 8.3776 8.3776 8.6418 8.6418 8.8127 8.8127 8.9745 8.9745 9.5244 9.5244 10.5931 10.5931 11.2606 11.2606 11.5629 11.5629 11.8248 11.8248 12.2996 12.2996 k =-0.2447 0.7470 0.9061 ( 5277 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0568 -18.0568 -18.0462 -18.0462 2.5181 2.5181 2.6927 2.6927 2.8500 2.8500 4.0021 4.0021 5.2121 5.2121 6.3521 6.3521 6.4401 6.4401 8.4222 8.4222 8.6547 8.6547 8.8472 8.8472 8.9732 8.9732 9.5620 9.5620 10.6912 10.6912 11.3443 11.3443 11.4846 11.4846 11.7862 11.7862 12.2849 12.2849 k =-0.2510 0.7660 0.8861 ( 5278 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0565 -18.0565 -18.0460 -18.0460 2.5117 2.5117 2.6869 2.6869 2.8424 2.8424 3.9959 3.9959 5.2061 5.2061 6.3489 6.3489 6.4368 6.4368 8.4556 8.4556 8.6632 8.6632 8.8723 8.8723 8.9723 8.9723 9.5896 9.5896 10.7816 10.7816 11.3396 11.3396 11.4882 11.4882 11.7558 11.7558 12.2496 12.2496 k =-0.2572 0.7850 0.8661 ( 5282 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7507 -25.7507 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0564 -18.0564 -18.0459 -18.0459 2.5078 2.5078 2.6834 2.6834 2.8379 2.8379 3.9922 3.9922 5.2025 5.2025 6.3469 6.3469 6.4348 6.4348 8.4763 8.4763 8.6678 8.6678 8.8875 8.8875 8.9718 8.9718 9.6066 9.6066 10.8535 10.8535 11.2811 11.2811 11.5387 11.5387 11.7363 11.7363 12.2115 12.2115 k =-0.2634 0.8040 0.8461 ( 5280 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7507 -25.7507 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0563 -18.0563 -18.0459 -18.0459 2.5065 2.5065 2.6822 2.6822 2.8364 2.8364 3.9910 3.9910 5.2012 5.2012 6.3462 6.3462 6.4342 6.4342 8.4834 8.4834 8.6693 8.6693 8.8926 8.8926 8.9716 8.9716 9.6123 9.6123 10.8836 10.8836 11.2534 11.2534 11.5602 11.5602 11.7296 11.7296 12.1952 12.1952 k =-0.2634 0.8040 0.8461 ( 5280 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7507 -25.7507 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0563 -18.0563 -18.0459 -18.0459 2.5065 2.5065 2.6822 2.6822 2.8364 2.8364 3.9910 3.9910 5.2012 5.2012 6.3462 6.3462 6.4342 6.4342 8.4834 8.4834 8.6693 8.6693 8.8926 8.8926 8.9716 8.9716 9.6123 9.6123 10.8836 10.8836 11.2534 11.2534 11.5602 11.5602 11.7296 11.7296 12.1952 12.1952 k =-0.2571 0.7849 0.8259 ( 5282 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7488 -25.7488 -18.0967 -18.0967 -18.0946 -18.0946 -18.0564 -18.0564 -18.0458 -18.0458 2.5589 2.5589 2.6196 2.6196 2.9360 2.9360 3.9082 3.9082 5.0874 5.0874 6.4210 6.4210 6.5125 6.5125 8.4864 8.4864 8.6234 8.6234 8.8717 8.8717 8.9489 8.9489 9.6489 9.6489 10.8413 10.8413 11.2092 11.2092 11.5697 11.5697 11.7782 11.7782 12.2192 12.2192 k =-0.2509 0.7658 0.8058 ( 5280 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0968 -18.0968 -18.0946 -18.0946 -18.0564 -18.0564 -18.0457 -18.0457 2.4495 2.4495 2.7196 2.7196 3.0381 3.0381 3.8291 3.8291 4.9753 4.9753 6.4974 6.4974 6.5921 6.5921 8.4892 8.4892 8.5755 8.5755 8.8528 8.8528 8.9282 8.9282 9.6817 9.6817 10.7982 10.7982 11.1590 11.1590 11.5838 11.5838 11.8298 11.8298 12.2372 12.2372 k =-0.2446 0.7466 0.7857 ( 5288 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7488 -25.7488 -18.0969 -18.0969 -18.0946 -18.0946 -18.0565 -18.0565 -18.0457 -18.0457 2.3367 2.3367 2.8258 2.8258 3.1383 3.1383 3.7561 3.7561 4.8654 4.8654 6.5753 6.5753 6.6724 6.6724 8.4846 8.4846 8.5334 8.5334 8.8357 8.8357 8.9095 8.9095 9.7102 9.7102 10.7548 10.7548 11.1036 11.1036 11.6028 11.6028 11.8810 11.8810 12.2297 12.2297 k =-0.2383 0.7275 0.7655 ( 5280 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0967 -18.0967 -18.0943 -18.0943 -18.0565 -18.0565 -18.0457 -18.0457 2.2255 2.2255 2.9334 2.9334 3.2309 3.2309 3.6946 3.6946 4.7580 4.7580 6.6545 6.6545 6.7532 6.7532 8.4490 8.4490 8.5211 8.5211 8.8203 8.8203 8.8928 8.8928 9.7341 9.7341 10.7116 10.7116 11.0442 11.0442 11.6270 11.6270 11.9221 11.9221 12.1629 12.1629 k =-0.2321 0.7083 0.7454 ( 5272 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7486 -25.7486 -18.0964 -18.0964 -18.0940 -18.0940 -18.0566 -18.0566 -18.0456 -18.0456 2.1163 2.1163 3.0410 3.0410 3.3031 3.3031 3.6580 3.6580 4.6537 4.6537 6.7347 6.7347 6.8340 6.8340 8.3951 8.3951 8.5266 8.5266 8.8064 8.8064 8.8781 8.8781 9.7535 9.7535 10.6690 10.6690 10.9817 10.9817 11.6563 11.6563 11.9167 11.9167 12.1110 12.1110 k =-0.2258 0.6892 0.7252 ( 5252 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7507 -25.7507 -25.7484 -25.7484 -18.0960 -18.0960 -18.0935 -18.0935 -18.0566 -18.0566 -18.0455 -18.0455 2.0092 2.0092 3.1465 3.1465 3.3327 3.3327 3.6698 3.6698 4.5534 4.5534 6.8156 6.8156 6.9148 6.9148 8.3369 8.3369 8.5363 8.5363 8.7939 8.7939 8.8656 8.8656 9.7682 9.7682 10.6274 10.6274 10.9171 10.9171 11.6878 11.6878 11.8380 11.8380 12.1289 12.1289 k =-0.2195 0.6700 0.7051 ( 5252 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7506 -25.7506 -25.7483 -25.7483 -18.0955 -18.0955 -18.0929 -18.0929 -18.0567 -18.0567 -18.0456 -18.0456 1.9045 1.9045 3.2361 3.2361 3.3276 3.3276 3.7349 3.7349 4.4582 4.4582 6.8968 6.8968 6.9952 6.9952 8.2769 8.2769 8.5479 8.5479 8.7827 8.7827 8.8552 8.8552 9.7787 9.7787 10.5874 10.5874 10.8512 10.8512 11.6852 11.6852 11.7684 11.7684 12.1751 12.1751 k =-0.2132 0.6509 0.6849 ( 5258 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7505 -25.7505 -25.7482 -25.7482 -18.0950 -18.0950 -18.0923 -18.0923 -18.0569 -18.0569 -18.0456 -18.0456 1.8021 1.8021 3.2354 3.2354 3.3828 3.3828 3.8305 3.8305 4.3703 4.3703 6.9774 6.9774 7.0753 7.0753 8.2163 8.2163 8.5609 8.5609 8.7724 8.7724 8.8468 8.8468 9.7852 9.7852 10.5492 10.5492 10.7850 10.7850 11.5829 11.5829 11.7974 11.7974 12.2255 12.2255 k =-0.2070 0.6317 0.6648 ( 5262 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7504 -25.7504 -25.7481 -25.7481 -18.0943 -18.0943 -18.0915 -18.0915 -18.0570 -18.0570 -18.0457 -18.0457 1.7021 1.7021 3.1817 3.1817 3.4739 3.4739 3.9398 3.9398 4.2935 4.2935 7.0569 7.0569 7.1550 7.1550 8.1556 8.1556 8.5750 8.5750 8.7630 8.7630 8.8407 8.8407 9.7883 9.7883 10.5133 10.5133 10.7192 10.7192 11.4638 11.4638 11.8481 11.8481 12.2714 12.2714 k =-0.2007 0.6126 0.6446 ( 5264 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7503 -25.7503 -25.7480 -25.7480 -18.0935 -18.0935 -18.0906 -18.0906 -18.0571 -18.0571 -18.0458 -18.0458 1.6046 1.6046 3.1193 3.1193 3.5564 3.5564 4.0551 4.0551 4.2357 4.2357 7.1343 7.1343 7.2344 7.2344 8.0958 8.0958 8.5899 8.5899 8.7542 8.7542 8.8367 8.8367 9.7887 9.7887 10.4798 10.4798 10.6548 10.6548 11.3444 11.3444 11.9056 11.9056 12.2962 12.2962 k =-0.1944 0.5935 0.6245 ( 5260 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7502 -25.7502 -25.7478 -25.7478 -18.0926 -18.0926 -18.0896 -18.0896 -18.0573 -18.0573 -18.0459 -18.0459 1.5096 1.5096 3.0549 3.0549 3.6147 3.6147 4.1645 4.1645 4.2178 4.2178 7.2085 7.2085 7.3132 7.3132 8.0375 8.0375 8.6053 8.6053 8.7459 8.7459 8.8347 8.8347 9.7872 9.7872 10.4488 10.4488 10.5930 10.5930 11.2273 11.2273 11.9678 11.9678 12.2756 12.2756 k =-0.1882 0.5743 0.6044 ( 5260 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7500 -25.7500 -25.7476 -25.7476 -18.0916 -18.0916 -18.0885 -18.0885 -18.0575 -18.0575 -18.0460 -18.0460 1.4171 1.4171 2.9905 2.9905 3.6353 3.6353 4.2089 4.2089 4.3104 4.3104 7.2785 7.2785 7.3907 7.3907 7.9822 7.9822 8.6210 8.6210 8.7377 8.7377 8.8347 8.8347 9.7844 9.7844 10.4202 10.4202 10.5349 10.5349 11.1137 11.1137 12.0333 12.0333 12.2317 12.2317 k =-0.1819 0.5552 0.5842 ( 5260 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7499 -25.7499 -25.7474 -25.7474 -18.0905 -18.0905 -18.0872 -18.0872 -18.0577 -18.0577 -18.0461 -18.0461 1.3273 1.3273 2.9270 2.9270 3.6166 3.6166 4.2675 4.2675 4.4348 4.4348 7.3437 7.3437 7.4648 7.4648 7.9322 7.9322 8.6367 8.6367 8.7295 8.7295 8.8364 8.8364 9.7813 9.7813 10.3929 10.3929 10.4826 10.4826 11.0042 11.0042 12.1003 12.1003 12.1831 12.1831 k =-0.1756 0.5360 0.5641 ( 5265 PWs) bands (ev): -51.3891 -51.3891 -51.3888 -51.3888 -25.7497 -25.7497 -25.7472 -25.7472 -18.0894 -18.0894 -18.0860 -18.0860 -18.0578 -18.0578 -18.0462 -18.0462 1.2401 1.2401 2.8647 2.8647 3.5706 3.5706 4.3561 4.3561 4.5630 4.5630 7.4034 7.4034 7.5309 7.5309 7.8925 7.8925 8.6521 8.6521 8.7212 8.7212 8.8396 8.8396 9.7786 9.7786 10.3647 10.3647 10.4397 10.4397 10.8995 10.8995 12.1270 12.1270 12.1744 12.1744 k =-0.1693 0.5169 0.5439 ( 5267 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7496 -25.7496 -25.7470 -25.7470 -18.0882 -18.0882 -18.0847 -18.0847 -18.0580 -18.0580 -18.0464 -18.0464 1.1556 1.1556 2.8041 2.8041 3.5096 3.5096 4.4634 4.4634 4.6933 4.6933 7.4566 7.4566 7.5794 7.5794 7.8729 7.8729 8.6670 8.6670 8.7125 8.7125 8.8437 8.8437 9.7771 9.7771 10.3329 10.3329 10.4095 10.4095 10.8002 10.8002 12.0782 12.0782 12.2407 12.2407 k =-0.1631 0.4977 0.5238 ( 5275 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7494 -25.7494 -25.7469 -25.7469 -18.0870 -18.0870 -18.0833 -18.0833 -18.0581 -18.0581 -18.0466 -18.0466 1.0738 1.0738 2.7453 2.7453 3.4414 3.4414 4.5819 4.5819 4.8251 4.8251 7.5011 7.5011 7.5993 7.5993 7.8862 7.8862 8.6809 8.6809 8.7034 8.7034 8.8484 8.8484 9.7777 9.7777 10.2989 10.2989 10.3918 10.3918 10.7068 10.7068 12.0276 12.0276 12.3069 12.3069 k =-0.1568 0.4786 0.5036 ( 5271 PWs) bands (ev): -51.3892 -51.3892 -51.3889 -51.3889 -25.7491 -25.7491 -25.7466 -25.7466 -18.0857 -18.0857 -18.0818 -18.0818 -18.0583 -18.0583 -18.0467 -18.0467 0.9948 0.9948 2.6883 2.6883 3.3703 3.3703 4.7076 4.7076 4.9581 4.9581 7.5273 7.5273 7.6008 7.6008 7.9315 7.9315 8.6917 8.6917 8.6955 8.6955 8.8528 8.8528 9.7811 9.7811 10.2669 10.2669 10.3831 10.3831 10.6202 10.6202 11.9773 11.9773 12.3694 12.3694 k =-0.1505 0.4595 0.4835 ( 5271 PWs) bands (ev): -51.3892 -51.3892 -51.3889 -51.3889 -25.7489 -25.7489 -25.7464 -25.7464 -18.0844 -18.0844 -18.0803 -18.0803 -18.0584 -18.0584 -18.0469 -18.0469 0.9186 0.9186 2.6333 2.6333 3.2984 3.2984 4.8382 4.8382 5.0921 5.0921 7.5163 7.5163 7.6165 7.6165 7.9946 7.9946 8.6828 8.6828 8.7051 8.7051 8.8565 8.8565 9.7877 9.7877 10.2397 10.2397 10.3810 10.3810 10.5413 10.5413 11.9275 11.9275 12.4258 12.4258 k =-0.1443 0.4403 0.4633 ( 5269 PWs) bands (ev): -51.3892 -51.3892 -51.3890 -51.3890 -25.7487 -25.7487 -25.7462 -25.7462 -18.0830 -18.0830 -18.0787 -18.0787 -18.0585 -18.0585 -18.0471 -18.0471 0.8452 0.8452 2.5804 2.5804 3.2271 3.2271 4.9724 4.9724 5.2268 5.2268 7.4813 7.4813 7.6435 7.6435 8.0647 8.0647 8.6717 8.6717 8.7144 8.7144 8.8585 8.8585 9.7983 9.7983 10.2192 10.2192 10.3826 10.3826 10.4725 10.4725 11.8783 11.8783 12.4740 12.4740 k =-0.1380 0.4212 0.4432 ( 5261 PWs) bands (ev): -51.3892 -51.3892 -51.3890 -51.3890 -25.7484 -25.7484 -25.7459 -25.7459 -18.0816 -18.0816 -18.0771 -18.0771 -18.0586 -18.0586 -18.0472 -18.0472 0.7747 0.7747 2.5296 2.5296 3.1570 3.1570 5.1093 5.1093 5.3620 5.3620 7.4392 7.4392 7.6699 7.6699 8.1363 8.1363 8.6598 8.6598 8.7218 8.7218 8.8584 8.8584 9.8132 9.8132 10.2060 10.2060 10.3758 10.3758 10.4265 10.4265 11.8297 11.8297 12.5117 12.5117 k =-0.1317 0.4020 0.4230 ( 5265 PWs) bands (ev): -51.3893 -51.3893 -51.3890 -51.3890 -25.7482 -25.7482 -25.7457 -25.7457 -18.0803 -18.0803 -18.0755 -18.0755 -18.0587 -18.0587 -18.0474 -18.0474 0.7070 0.7070 2.4809 2.4809 3.0888 3.0888 5.2483 5.2483 5.4972 5.4972 7.3954 7.3954 7.6932 7.6932 8.2064 8.2064 8.6473 8.6473 8.7269 8.7269 8.8556 8.8556 9.8327 9.8327 10.2005 10.2005 10.3382 10.3382 10.4261 10.4261 11.7817 11.7817 12.5370 12.5370 k =-0.1254 0.3829 0.4029 ( 5261 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7480 -25.7480 -25.7454 -25.7454 -18.0790 -18.0790 -18.0738 -18.0738 -18.0587 -18.0587 -18.0476 -18.0476 0.6423 0.6423 2.4343 2.4343 3.0227 3.0227 5.3892 5.3892 5.6323 5.6323 7.3517 7.3517 7.7127 7.7127 8.2731 8.2731 8.6342 8.6342 8.7299 8.7299 8.8498 8.8498 9.8568 9.8568 10.2025 10.2025 10.2977 10.2977 10.4443 10.4443 11.7346 11.7346 12.5487 12.5487 k =-0.1192 0.3637 0.3828 ( 5263 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7478 -25.7478 -25.7452 -25.7452 -18.0777 -18.0777 -18.0722 -18.0722 -18.0587 -18.0587 -18.0477 -18.0477 0.5805 0.5805 2.3900 2.3900 2.9591 2.9591 5.5314 5.5314 5.7667 5.7667 7.3094 7.3094 7.7286 7.7286 8.3349 8.3349 8.6205 8.6205 8.7306 8.7306 8.8409 8.8409 9.8854 9.8854 10.2111 10.2111 10.2668 10.2668 10.4697 10.4697 11.6883 11.6883 12.5463 12.5463 k =-0.1129 0.3446 0.3626 ( 5273 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7476 -25.7476 -25.7450 -25.7450 -18.0765 -18.0765 -18.0706 -18.0706 -18.0587 -18.0587 -18.0480 -18.0480 0.5217 0.5217 2.3479 2.3479 2.8980 2.8980 5.6746 5.6746 5.8999 5.8999 7.2692 7.2692 7.7412 7.7412 8.3907 8.3907 8.6065 8.6065 8.7293 8.7293 8.8289 8.8289 9.9186 9.9186 10.2227 10.2227 10.2506 10.2506 10.5006 10.5006 11.6433 11.6433 12.5303 12.5303 k =-0.1066 0.3254 0.3425 ( 5269 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7473 -25.7473 -25.7447 -25.7447 -18.0753 -18.0753 -18.0690 -18.0690 -18.0586 -18.0586 -18.0481 -18.0481 0.4660 0.4660 2.3079 2.3079 2.8397 2.8397 5.8187 5.8187 6.0313 6.0313 7.2316 7.2316 7.7507 7.7507 8.4396 8.4396 8.5923 8.5923 8.7262 8.7262 8.8142 8.8142 9.9558 9.9558 10.2281 10.2281 10.2582 10.2582 10.5365 10.5365 11.5999 11.5999 12.5019 12.5019 k =-0.1003 0.3063 0.3223 ( 5265 PWs) bands (ev): -51.3894 -51.3894 -51.3892 -51.3892 -25.7471 -25.7471 -25.7445 -25.7445 -18.0742 -18.0742 -18.0674 -18.0674 -18.0584 -18.0584 -18.0483 -18.0483 0.4132 0.4132 2.2703 2.2703 2.7842 2.7842 5.9631 5.9631 6.1600 6.1600 7.1974 7.1974 7.7575 7.7575 8.4810 8.4810 8.5779 8.5779 8.7215 8.7215 8.7972 8.7972 9.9968 9.9968 10.2350 10.2350 10.2806 10.2806 10.5768 10.5768 11.5585 11.5585 12.4626 12.4626 k =-0.0941 0.2872 0.3022 ( 5269 PWs) bands (ev): -51.3894 -51.3894 -51.3892 -51.3892 -25.7469 -25.7469 -25.7443 -25.7443 -18.0733 -18.0733 -18.0659 -18.0659 -18.0582 -18.0582 -18.0485 -18.0485 0.3635 0.3635 2.2348 2.2348 2.7318 2.7318 6.1076 6.1076 6.2848 6.2848 7.1676 7.1676 7.7620 7.7620 8.5146 8.5146 8.5636 8.5636 8.7155 8.7155 8.7783 8.7783 10.0413 10.0413 10.2525 10.2525 10.3073 10.3073 10.6214 10.6214 11.5201 11.5201 12.4140 12.4140 k =-0.0878 0.2680 0.2820 ( 5275 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7467 -25.7467 -25.7441 -25.7441 -18.0724 -18.0724 -18.0645 -18.0645 -18.0579 -18.0579 -18.0487 -18.0487 0.3169 0.3169 2.2017 2.2017 2.6823 2.6823 6.2519 6.2519 6.4038 6.4038 7.1436 7.1436 7.7645 7.7645 8.5400 8.5400 8.5500 8.5500 8.7085 8.7085 8.7581 8.7581 10.0887 10.0887 10.2812 10.2812 10.3349 10.3349 10.6700 10.6700 11.4857 11.4857 12.3576 12.3576 k =-0.0815 0.2489 0.2619 ( 5283 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7465 -25.7465 -25.7439 -25.7439 -18.0718 -18.0718 -18.0631 -18.0631 -18.0575 -18.0575 -18.0489 -18.0489 0.2734 0.2734 2.1708 2.1708 2.6360 2.6360 6.3953 6.3953 6.5142 6.5142 7.1278 7.1278 7.7654 7.7654 8.5348 8.5348 8.5604 8.5604 8.7004 8.7004 8.7374 8.7374 10.1385 10.1385 10.3196 10.3196 10.3622 10.3622 10.7224 10.7224 11.4565 11.4565 12.2948 12.2948 k =-0.0753 0.2297 0.2417 ( 5291 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7464 -25.7464 -25.7437 -25.7437 -18.0712 -18.0712 -18.0617 -18.0617 -18.0571 -18.0571 -18.0490 -18.0490 0.2331 0.2331 2.1422 2.1422 2.5929 2.5929 6.5373 6.5373 6.6117 6.6117 7.1238 7.1238 7.7649 7.7649 8.5214 8.5214 8.5733 8.5733 8.6907 8.6907 8.7176 8.7176 10.1895 10.1895 10.3627 10.3627 10.3913 10.3913 10.7782 10.7782 11.4340 11.4340 12.2268 12.2268 k =-0.0690 0.2106 0.2216 ( 5287 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7462 -25.7462 -25.7435 -25.7435 -18.0707 -18.0707 -18.0605 -18.0605 -18.0565 -18.0565 -18.0491 -18.0491 0.1959 0.1959 2.1159 2.1159 2.5530 2.5530 6.6739 6.6739 6.6938 6.6938 7.1370 7.1370 7.7634 7.7634 8.5083 8.5083 8.5812 8.5812 8.6771 8.6771 8.7015 8.7015 10.2387 10.2387 10.3953 10.3953 10.4364 10.4364 10.8373 10.8373 11.4198 11.4198 12.1546 12.1546 k =-0.0627 0.1914 0.2015 ( 5291 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7461 -25.7461 -25.7433 -25.7433 -18.0703 -18.0703 -18.0593 -18.0593 -18.0560 -18.0560 -18.0492 -18.0492 0.1618 0.1618 2.0918 2.0918 2.5164 2.5164 6.7417 6.7417 6.8181 6.8181 7.1717 7.1717 7.7611 7.7611 8.4957 8.4957 8.5849 8.5849 8.6585 8.6585 8.6910 8.6910 10.2794 10.2794 10.4213 10.4213 10.4965 10.4965 10.8995 10.8995 11.4150 11.4150 12.0791 12.0791 k =-0.0564 0.1723 0.1813 ( 5281 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7459 -25.7459 -25.7431 -25.7431 -18.0699 -18.0699 -18.0582 -18.0582 -18.0554 -18.0554 -18.0493 -18.0493 0.1310 0.1310 2.0701 2.0701 2.4832 2.4832 6.7723 6.7723 6.9523 6.9523 7.2265 7.2265 7.7583 7.7583 8.4837 8.4837 8.5853 8.5853 8.6374 8.6374 8.6842 8.6842 10.3010 10.3010 10.4570 10.4570 10.5632 10.5632 10.9643 10.9643 11.4201 11.4201 12.0014 12.0014 k =-0.0502 0.1532 0.1612 ( 5277 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7457 -25.7457 -25.7430 -25.7430 -18.0697 -18.0697 -18.0573 -18.0573 -18.0548 -18.0548 -18.0493 -18.0493 0.1033 0.1033 2.0506 2.0506 2.4533 2.4533 6.7850 6.7850 7.0827 7.0827 7.2941 7.2941 7.7551 7.7551 8.4723 8.4723 8.5824 8.5824 8.6166 8.6166 8.6795 8.6795 10.2999 10.2999 10.5072 10.5072 10.6335 10.6335 11.0316 11.0316 11.4345 11.4345 11.9223 11.9223 k =-0.0439 0.1340 0.1410 ( 5289 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7456 -25.7456 -25.7429 -25.7429 -18.0695 -18.0695 -18.0565 -18.0565 -18.0544 -18.0544 -18.0494 -18.0494 0.0789 0.0789 2.0335 2.0335 2.4269 2.4269 6.7874 6.7874 7.2077 7.2077 7.3659 7.3659 7.7517 7.7517 8.4613 8.4613 8.5742 8.5742 8.5998 8.5998 8.6765 8.6765 10.2820 10.2820 10.5669 10.5669 10.7058 10.7058 11.1008 11.1008 11.4566 11.4566 11.8431 11.8431 k =-0.0376 0.1149 0.1209 ( 5285 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7455 -25.7455 -25.7427 -25.7427 -18.0694 -18.0694 -18.0558 -18.0558 -18.0538 -18.0538 -18.0493 -18.0493 0.0577 0.0577 2.0186 2.0186 2.4039 2.4039 6.7846 6.7846 7.3255 7.3255 7.4360 7.4360 7.7483 7.7483 8.4506 8.4506 8.5581 8.5581 8.5905 8.5905 8.6750 8.6750 10.2542 10.2542 10.6308 10.6308 10.7788 10.7788 11.1714 11.1714 11.4835 11.4835 11.7655 11.7655 k =-0.0314 0.0957 0.1007 ( 5285 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7454 -25.7454 -25.7426 -25.7426 -18.0693 -18.0693 -18.0552 -18.0552 -18.0534 -18.0534 -18.0493 -18.0493 0.0397 0.0397 2.0060 2.0060 2.3844 2.3844 6.7796 6.7796 7.4342 7.4342 7.5003 7.5003 7.7450 7.7450 8.4398 8.4398 8.5385 8.5385 8.5857 8.5857 8.6749 8.6749 10.2216 10.2216 10.6955 10.6955 10.8512 10.8512 11.2423 11.2423 11.5097 11.5097 11.6925 11.6925 k =-0.0251 0.0766 0.0806 ( 5289 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7454 -25.7454 -25.7425 -25.7425 -18.0692 -18.0692 -18.0547 -18.0547 -18.0531 -18.0531 -18.0492 -18.0492 0.0250 0.0250 1.9957 1.9957 2.3685 2.3685 6.7741 6.7741 7.5298 7.5298 7.5574 7.5574 7.7419 7.7419 8.4285 8.4285 8.5194 8.5194 8.5825 8.5825 8.6759 8.6759 10.1884 10.1884 10.7581 10.7581 10.9217 10.9217 11.3114 11.3114 11.5223 11.5223 11.6332 11.6332 k =-0.0188 0.0574 0.0604 ( 5285 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7454 -25.7454 -25.7424 -25.7424 -18.0692 -18.0692 -18.0544 -18.0544 -18.0528 -18.0528 -18.0491 -18.0491 0.0136 0.0136 1.9877 1.9877 2.3560 2.3560 6.7692 6.7692 7.5949 7.5949 7.6199 7.6199 7.7390 7.7390 8.4165 8.4165 8.5032 8.5032 8.5802 8.5802 8.6777 8.6777 10.1581 10.1581 10.8152 10.8152 10.9887 10.9887 11.3743 11.3743 11.4973 11.4973 11.6040 11.6040 k =-0.0125 0.0383 0.0403 ( 5289 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7424 -25.7424 -18.0692 -18.0692 -18.0542 -18.0542 -18.0526 -18.0526 -18.0490 -18.0490 0.0054 0.0054 1.9820 1.9820 2.3471 2.3471 6.7653 6.7653 7.6302 7.6302 7.6821 7.6821 7.7364 7.7364 8.4047 8.4047 8.4913 8.4913 8.5786 8.5786 8.6795 8.6795 10.1340 10.1340 10.8626 10.8626 11.0496 11.0496 11.4156 11.4156 11.4529 11.4529 11.5950 11.5950 k =-0.0063 0.0191 0.0201 ( 5285 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7423 -25.7423 -18.0691 -18.0691 -18.0540 -18.0540 -18.0524 -18.0524 -18.0490 -18.0490 0.0005 0.0005 1.9786 1.9786 2.3418 2.3418 6.7629 6.7629 7.6513 7.6513 7.7222 7.7222 7.7351 7.7351 8.3955 8.3955 8.4842 8.4842 8.5776 8.5776 8.6809 8.6809 10.1185 10.1185 10.8947 10.8947 11.0975 11.0975 11.3925 11.3925 11.4501 11.4501 11.6065 11.6065 k = 0.0000 0.0000 0.0000 ( 5281 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7423 -25.7423 -18.0691 -18.0691 -18.0539 -18.0539 -18.0524 -18.0524 -18.0490 -18.0490 -0.0012 -0.0012 1.9774 1.9774 2.3400 2.3400 6.7621 6.7621 7.6584 7.6584 7.7312 7.7312 7.7394 7.7394 8.3920 8.3920 8.4819 8.4819 8.5773 8.5773 8.6815 8.6815 10.1132 10.1132 10.9062 10.9062 11.1174 11.1174 11.3739 11.3739 11.4516 11.4516 11.6201 11.6201 k = 0.0000 0.0000 0.0000 ( 5281 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7423 -25.7423 -18.0691 -18.0691 -18.0539 -18.0539 -18.0524 -18.0524 -18.0490 -18.0490 -0.0012 -0.0012 1.9774 1.9774 2.3400 2.3400 6.7621 6.7621 7.6584 7.6584 7.7312 7.7312 7.7394 7.7394 8.3920 8.3920 8.4819 8.4819 8.5773 8.5773 8.6815 8.6815 10.1132 10.1132 10.9062 10.9062 11.1174 11.1174 11.3739 11.3739 11.4516 11.4516 11.6201 11.6201 k = 0.0263 0.0086-0.0000 ( 5281 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7423 -25.7423 -18.0691 -18.0691 -18.0539 -18.0539 -18.0524 -18.0524 -18.0490 -18.0490 0.0004 0.0004 1.9501 1.9501 2.3695 2.3695 6.7419 6.7419 7.6477 7.6477 7.7498 7.7498 7.7510 7.7510 8.3903 8.3903 8.4792 8.4792 8.5794 8.5794 8.6847 8.6847 10.1103 10.1103 10.9053 10.9053 11.1166 11.1166 11.3746 11.3746 11.4554 11.4554 11.6256 11.6256 k = 0.0526 0.0172-0.0000 ( 5296 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7453 -25.7453 -25.7425 -25.7425 -18.0691 -18.0691 -18.0540 -18.0540 -18.0523 -18.0523 -18.0492 -18.0492 0.0049 0.0049 1.8851 1.8851 2.4410 2.4410 6.6854 6.6854 7.6249 7.6249 7.7765 7.7765 7.8014 7.8014 8.3853 8.3853 8.4715 8.4715 8.5854 8.5854 8.6938 8.6938 10.1021 10.1021 10.9030 10.9030 11.1144 11.1144 11.3764 11.3764 11.4652 11.4652 11.6433 11.6433 k = 0.0789 0.0259-0.0000 ( 5296 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7452 -25.7452 -25.7425 -25.7425 -18.0690 -18.0690 -18.0540 -18.0540 -18.0523 -18.0523 -18.0493 -18.0493 0.0125 0.0125 1.8042 1.8042 2.5327 2.5327 6.6019 6.6019 7.5990 7.5990 7.8068 7.8068 7.8767 7.8767 8.3778 8.3778 8.4601 8.4601 8.5946 8.5946 8.7075 8.7075 10.0897 10.0897 10.8996 10.8996 11.1108 11.1108 11.3795 11.3795 11.4768 11.4768 11.6758 11.6758 k = 0.1053 0.0345-0.0000 ( 5312 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7452 -25.7452 -25.7426 -25.7426 -18.0689 -18.0689 -18.0541 -18.0541 -18.0523 -18.0523 -18.0495 -18.0495 0.0231 0.0231 1.7177 1.7177 2.6344 2.6344 6.5000 6.5000 7.5728 7.5728 7.8390 7.8390 7.9664 7.9664 8.3685 8.3685 8.4465 8.4465 8.6063 8.6063 8.7244 8.7244 10.0749 10.0749 10.8955 10.8955 11.1059 11.1059 11.3837 11.3837 11.4865 11.4865 11.6847 11.6847 k = 0.1316 0.0431-0.0000 ( 5312 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7452 -25.7452 -25.7427 -25.7427 -18.0688 -18.0688 -18.0542 -18.0542 -18.0523 -18.0523 -18.0496 -18.0496 0.0367 0.0367 1.6297 1.6297 2.7420 2.7420 6.3861 6.3861 7.5473 7.5473 7.8721 7.8721 8.0637 8.0637 8.3583 8.3583 8.4315 8.4315 8.6197 8.6197 8.7433 8.7433 10.0599 10.0599 10.8912 10.8912 11.0998 11.0998 11.3890 11.3890 11.4931 11.4931 11.6783 11.6783 k = 0.1579 0.0517-0.0000 ( 5320 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7452 -25.7452 -25.7428 -25.7428 -18.0686 -18.0686 -18.0542 -18.0542 -18.0522 -18.0522 -18.0499 -18.0499 0.0533 0.0533 1.5419 1.5419 2.8536 2.8536 6.2642 6.2642 7.5229 7.5229 7.9054 7.9054 8.1632 8.1632 8.3480 8.3480 8.4162 8.4162 8.6343 8.6343 8.7634 8.7634 10.0470 10.0470 10.8869 10.8869 11.0928 11.0928 11.3952 11.3952 11.4969 11.4969 11.6694 11.6694 k = 0.1842 0.0603-0.0000 ( 5324 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7452 -25.7452 -25.7428 -25.7428 -18.0685 -18.0685 -18.0543 -18.0543 -18.0522 -18.0522 -18.0500 -18.0500 0.0728 0.0728 1.4553 1.4553 2.9683 2.9683 6.1369 6.1369 7.4998 7.4998 7.9385 7.9385 8.2595 8.2595 8.3401 8.3401 8.4009 8.4009 8.6498 8.6498 8.7840 8.7840 10.0384 10.0384 10.8828 10.8828 11.0849 11.0849 11.4023 11.4023 11.4987 11.4987 11.6552 11.6552 k = 0.2105 0.0690-0.0000 ( 5312 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7451 -25.7451 -25.7428 -25.7428 -18.0682 -18.0682 -18.0543 -18.0543 -18.0521 -18.0521 -18.0502 -18.0502 0.0953 0.0953 1.3705 1.3705 3.0857 3.0857 6.0060 6.0060 7.4783 7.4783 7.9709 7.9709 8.3139 8.3139 8.3705 8.3705 8.3862 8.3862 8.6658 8.6658 8.8046 8.8046 10.0366 10.0366 10.8788 10.8788 11.0765 11.0765 11.4101 11.4101 11.4991 11.4991 11.6239 11.6239 k = 0.2368 0.0776-0.0000 ( 5324 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7451 -25.7451 -25.7429 -25.7429 -18.0681 -18.0681 -18.0543 -18.0543 -18.0521 -18.0521 -18.0505 -18.0505 0.1206 0.1206 1.2878 1.2878 3.2053 3.2053 5.8726 5.8726 7.4583 7.4583 8.0023 8.0023 8.3093 8.3093 8.3723 8.3723 8.4538 8.4538 8.6824 8.6824 8.8247 8.8247 10.0436 10.0436 10.8751 10.8751 11.0677 11.0677 11.4185 11.4185 11.4984 11.4984 11.5652 11.5652 k = 0.2632 0.0862-0.0000 ( 5300 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7450 -25.7450 -25.7427 -25.7427 -18.0678 -18.0678 -18.0543 -18.0543 -18.0520 -18.0520 -18.0506 -18.0506 0.1486 0.1486 1.2075 1.2075 3.3269 3.3269 5.7375 5.7375 7.4401 7.4401 8.0324 8.0324 8.3004 8.3004 8.3594 8.3594 8.5328 8.5328 8.7000 8.7000 8.8441 8.8441 10.0616 10.0616 10.8715 10.8715 11.0588 11.0588 11.4270 11.4270 11.4968 11.4968 11.4985 11.4985 k = 0.2895 0.0948-0.0000 ( 5288 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7449 -25.7449 -25.7427 -25.7427 -18.0675 -18.0675 -18.0543 -18.0543 -18.0519 -18.0519 -18.0508 -18.0508 0.1793 0.1793 1.1298 1.1298 3.4504 3.4504 5.6013 5.6013 7.4236 7.4236 8.0605 8.0605 8.2915 8.2915 8.3477 8.3477 8.6000 8.6000 8.7199 8.7199 8.8623 8.8623 10.0920 10.0920 10.8681 10.8681 11.0500 11.0500 11.4238 11.4238 11.4465 11.4465 11.4942 11.4942 k = 0.3158 0.1035-0.0000 ( 5288 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7448 -25.7448 -25.7428 -25.7428 -18.0672 -18.0672 -18.0543 -18.0543 -18.0519 -18.0519 -18.0511 -18.0511 0.2125 0.2125 1.0550 1.0550 3.5754 3.5754 5.4645 5.4645 7.4090 7.4090 8.0865 8.0865 8.2833 8.2833 8.3374 8.3374 8.6514 8.6514 8.7443 8.7443 8.8791 8.8791 10.1358 10.1358 10.8650 10.8650 11.0415 11.0415 11.3705 11.3705 11.4504 11.4504 11.4900 11.4900 k = 0.3421 0.1121-0.0000 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7448 -25.7448 -25.7428 -25.7428 -18.0670 -18.0670 -18.0543 -18.0543 -18.0519 -18.0519 -18.0512 -18.0512 0.2479 0.2479 0.9834 0.9834 3.7019 3.7019 5.3274 5.3274 7.3963 7.3963 8.1097 8.1097 8.2760 8.2760 8.3286 8.3286 8.6855 8.6855 8.7739 8.7739 8.8942 8.8942 10.1931 10.1931 10.8621 10.8621 11.0336 11.0336 11.3179 11.3179 11.4605 11.4605 11.4825 11.4825 k = 0.3684 0.1207-0.0000 ( 5272 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7428 -25.7428 -18.0668 -18.0668 -18.0543 -18.0543 -18.0518 -18.0518 -18.0514 -18.0514 0.2851 0.2851 0.9155 0.9155 3.8297 3.8297 5.1906 5.1906 7.3854 7.3854 8.1299 8.1299 8.2696 8.2696 8.3213 8.3213 8.7067 8.7067 8.8043 8.8043 8.9075 8.9075 10.2626 10.2626 10.8594 10.8594 11.0264 11.0264 11.2721 11.2721 11.4661 11.4661 11.4713 11.4713 k = 0.3947 0.1293-0.0000 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7448 -25.7448 -25.7429 -25.7429 -18.0667 -18.0667 -18.0544 -18.0544 -18.0519 -18.0519 -18.0515 -18.0515 0.3235 0.3235 0.8520 0.8520 3.9583 3.9583 5.0544 5.0544 7.3765 7.3765 8.1467 8.1467 8.2643 8.2643 8.3156 8.3156 8.7205 8.7205 8.8305 8.8305 8.9186 8.9186 10.3420 10.3420 10.8568 10.8568 11.0203 11.0203 11.2338 11.2338 11.4241 11.4241 11.4822 11.4822 k = 0.4211 0.1379-0.0000 ( 5272 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7446 -25.7446 -25.7429 -25.7429 -18.0665 -18.0665 -18.0544 -18.0544 -18.0518 -18.0518 -18.0517 -18.0517 0.3616 0.3616 0.7943 0.7943 4.0872 4.0872 4.9195 4.9195 7.3695 7.3695 8.1599 8.1599 8.2602 8.2602 8.3114 8.3114 8.7301 8.7301 8.8506 8.8506 8.9275 8.9275 10.4273 10.4273 10.8544 10.8544 11.0153 11.0153 11.2035 11.2035 11.3416 11.3416 11.4929 11.4929 k = 0.4474 0.1466-0.0000 ( 5272 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7446 -25.7446 -25.7429 -25.7429 -18.0664 -18.0664 -18.0544 -18.0544 -18.0518 -18.0518 -18.0517 -18.0517 0.3968 0.3968 0.7451 0.7451 4.2148 4.2148 4.7875 4.7875 7.3645 7.3645 8.1693 8.1693 8.2572 8.2572 8.3086 8.3086 8.7365 8.7365 8.8644 8.8644 8.9339 8.9339 10.5110 10.5110 10.8517 10.8517 11.0116 11.0116 11.1816 11.1816 11.2457 11.2457 11.5027 11.5027 k = 0.4737 0.1552-0.0000 ( 5280 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7446 -25.7446 -25.7430 -25.7430 -18.0664 -18.0664 -18.0544 -18.0544 -18.0519 -18.0519 -18.0518 -18.0518 0.4238 0.4238 0.7097 0.7097 4.3350 4.3350 4.6647 4.6647 7.3615 7.3615 8.1749 8.1749 8.2554 8.2554 8.3070 8.3070 8.7402 8.7402 8.8724 8.8724 8.9378 8.9378 10.5791 10.5791 10.8487 10.8487 11.0094 11.0094 11.1684 11.1684 11.1684 11.1684 11.5104 11.5104 k = 0.5000 0.1638-0.0000 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0544 -18.0544 -18.0519 -18.0519 -18.0518 -18.0518 0.4345 0.4345 0.6962 0.6962 4.4052 4.4052 4.5936 4.5936 7.3605 7.3605 8.1768 8.1768 8.2548 8.2548 8.3065 8.3065 8.7415 8.7415 8.8750 8.8750 8.9391 8.9391 10.6073 10.6073 10.8469 10.8469 11.0086 11.0086 11.1375 11.1375 11.1640 11.1640 11.5135 11.5135 k = 0.5000 0.1638-0.0000 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0544 -18.0544 -18.0519 -18.0519 -18.0518 -18.0518 0.4345 0.4345 0.6962 0.6962 4.4052 4.4052 4.5936 4.5936 7.3605 7.3605 8.1768 8.1768 8.2548 8.2548 8.3065 8.3065 8.7415 8.7415 8.8750 8.8750 8.9391 8.9391 10.6073 10.6073 10.8469 10.8469 11.0086 11.0086 11.1375 11.1375 11.1640 11.1640 11.5135 11.5135 k = 0.4938 0.1828 0.0200 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0545 -18.0545 -18.0519 -18.0519 -18.0518 -18.0518 0.4360 0.4360 0.6978 0.6978 4.4061 4.4061 4.5950 4.5950 7.3537 7.3537 8.1751 8.1751 8.2499 8.2499 8.3027 8.3027 8.7143 8.7143 8.8591 8.8591 8.9854 8.9854 10.5977 10.5977 10.8504 10.8504 11.0102 11.0102 11.1431 11.1431 11.1733 11.1733 11.4650 11.4650 k = 0.4875 0.2018 0.0400 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0546 -18.0546 -18.0520 -18.0520 -18.0519 -18.0519 0.4406 0.4406 0.7026 0.7026 4.4089 4.4089 4.5993 4.5993 7.3329 7.3329 8.1690 8.1690 8.2312 8.2312 8.2968 8.2968 8.6553 8.6553 8.8478 8.8478 9.0662 9.0662 10.5715 10.5715 10.8568 10.8568 11.0156 11.0156 11.1556 11.1556 11.2040 11.2040 11.3866 11.3866 k = 0.4813 0.2208 0.0600 ( 5280 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0548 -18.0548 -18.0522 -18.0522 -18.0519 -18.0519 0.4483 0.4483 0.7105 0.7105 4.4136 4.4136 4.6064 4.6064 7.2979 7.2979 8.1527 8.1527 8.1982 8.1982 8.2957 8.2957 8.5916 8.5916 8.8420 8.8420 9.1543 9.1543 10.5337 10.5337 10.8574 10.8574 11.0262 11.0262 11.1703 11.1703 11.2512 11.2512 11.3222 11.3222 k = 0.4751 0.2398 0.0800 ( 5288 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7449 -25.7449 -25.7431 -25.7431 -18.0665 -18.0665 -18.0552 -18.0552 -18.0526 -18.0526 -18.0519 -18.0519 0.4589 0.4589 0.7216 0.7216 4.4201 4.4201 4.6163 4.6163 7.2484 7.2484 8.1063 8.1063 8.1721 8.1721 8.2995 8.2995 8.5342 8.5342 8.8374 8.8374 9.2439 9.2439 10.4885 10.4885 10.8435 10.8435 11.0432 11.0432 11.1782 11.1782 11.2521 11.2521 11.3472 11.3472 k = 0.4689 0.2588 0.1000 ( 5292 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7450 -25.7450 -25.7432 -25.7432 -18.0666 -18.0666 -18.0557 -18.0557 -18.0530 -18.0530 -18.0519 -18.0519 0.4726 0.4726 0.7360 0.7360 4.4284 4.4284 4.6291 4.6291 7.1845 7.1845 8.0316 8.0316 8.1550 8.1550 8.3066 8.3066 8.4869 8.4869 8.8327 8.8327 9.3327 9.3327 10.4387 10.4387 10.8098 10.8098 11.0655 11.0655 11.1607 11.1607 11.2543 11.2543 11.4277 11.4277 k = 0.4626 0.2778 0.1200 ( 5296 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7451 -25.7451 -25.7433 -25.7433 -18.0668 -18.0668 -18.0563 -18.0563 -18.0534 -18.0534 -18.0519 -18.0519 0.4894 0.4894 0.7534 0.7534 4.4383 4.4383 4.6447 4.6447 7.1067 7.1067 7.9413 7.9413 8.1373 8.1373 8.3163 8.3163 8.4507 8.4507 8.8277 8.8277 9.4197 9.4197 10.3859 10.3859 10.7568 10.7568 11.0904 11.0904 11.1383 11.1383 11.2803 11.2803 11.4486 11.4486 k = 0.4564 0.2968 0.1400 ( 5288 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7452 -25.7452 -25.7433 -25.7433 -18.0669 -18.0669 -18.0570 -18.0570 -18.0539 -18.0539 -18.0518 -18.0518 0.5092 0.5092 0.7740 0.7740 4.4499 4.4499 4.6631 4.6631 7.0162 7.0162 7.8409 7.8409 8.1161 8.1161 8.3283 8.3283 8.4252 8.4252 8.8221 8.8221 9.5041 9.5041 10.3313 10.3313 10.6893 10.6893 11.1081 11.1081 11.1336 11.1336 11.3108 11.3108 11.4247 11.4247 k = 0.4502 0.3158 0.1600 ( 5282 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7453 -25.7453 -25.7434 -25.7434 -18.0672 -18.0672 -18.0578 -18.0578 -18.0544 -18.0544 -18.0517 -18.0517 0.5319 0.5319 0.7978 0.7978 4.4631 4.4631 4.6842 4.6842 6.9144 6.9144 7.7333 7.7333 8.0906 8.0906 8.3423 8.3423 8.4096 8.4096 8.8160 8.8160 9.5857 9.5857 10.2761 10.2761 10.6131 10.6131 11.1077 11.1077 11.1554 11.1554 11.3269 11.3269 11.4076 11.4076 k = 0.4440 0.3348 0.1800 ( 5274 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7454 -25.7454 -25.7435 -25.7435 -18.0675 -18.0675 -18.0587 -18.0587 -18.0549 -18.0549 -18.0516 -18.0516 0.5577 0.5577 0.8246 0.8246 4.4776 4.4776 4.7081 4.7081 6.8032 6.8032 7.6204 7.6204 8.0601 8.0601 8.3580 8.3580 8.4030 8.4030 8.8093 8.8093 9.6645 9.6645 10.2212 10.2212 10.5323 10.5323 11.1066 11.1066 11.1828 11.1828 11.3031 11.3031 11.4270 11.4271 k = 0.4377 0.3538 0.2000 ( 5266 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7455 -25.7455 -25.7436 -25.7436 -18.0678 -18.0678 -18.0597 -18.0597 -18.0554 -18.0554 -18.0514 -18.0514 0.5865 0.5865 0.8546 0.8546 4.4933 4.4933 4.7347 4.7347 6.6842 6.6842 7.5040 7.5040 8.0241 8.0241 8.3749 8.3749 8.4046 8.4046 8.8023 8.8023 9.7401 9.7401 10.1675 10.1675 10.4495 10.4495 11.1079 11.1079 11.2098 11.2098 11.2615 11.2615 11.4610 11.4610 k = 0.4315 0.3728 0.2200 ( 5278 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7458 -25.7458 -25.7438 -25.7438 -18.0684 -18.0684 -18.0609 -18.0609 -18.0559 -18.0559 -18.0513 -18.0513 0.6182 0.6182 0.8876 0.8876 4.5100 4.5100 4.7640 4.7640 6.5593 6.5593 7.3852 7.3852 7.9820 7.9820 8.3922 8.3922 8.4139 8.4139 8.7951 8.7951 9.8115 9.8115 10.1168 10.1168 10.3664 10.3664 11.1104 11.1104 11.2138 11.2138 11.2401 11.2401 11.4744 11.4744 k = 0.4253 0.3919 0.2400 ( 5286 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7460 -25.7460 -25.7440 -25.7440 -18.0690 -18.0690 -18.0622 -18.0622 -18.0564 -18.0564 -18.0511 -18.0511 0.6529 0.6529 0.9237 0.9237 4.5274 4.5274 4.7960 4.7960 6.4298 6.4298 7.2650 7.2650 7.9336 7.9336 8.4098 8.4098 8.4298 8.4298 8.7878 8.7878 9.8751 9.8751 10.0736 10.0736 10.2839 10.2839 11.1119 11.1119 11.1760 11.1760 11.2635 11.2635 11.4738 11.4738 k = 0.4191 0.4109 0.2600 ( 5286 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7462 -25.7462 -25.7443 -25.7443 -18.0697 -18.0697 -18.0636 -18.0636 -18.0568 -18.0568 -18.0509 -18.0509 0.6906 0.6906 0.9629 0.9629 4.5451 4.5451 4.8305 4.8305 6.2973 6.2973 7.1442 7.1442 7.8784 7.8784 8.4288 8.4288 8.4503 8.4503 8.7809 8.7809 9.9148 9.9148 10.0545 10.0545 10.2027 10.2027 11.1050 11.1050 11.1502 11.1502 11.2864 11.2864 11.4742 11.4742 k = 0.4128 0.4299 0.2800 ( 5290 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7465 -25.7465 -25.7444 -25.7444 -18.0706 -18.0706 -18.0649 -18.0649 -18.0572 -18.0572 -18.0507 -18.0507 0.7311 0.7311 1.0050 1.0050 4.5627 4.5627 4.8677 4.8677 6.1630 6.1630 7.0236 7.0236 7.8164 7.8164 8.4499 8.4499 8.4731 8.4731 8.7747 8.7747 9.9059 9.9059 10.0833 10.0833 10.1244 10.1244 11.0834 11.0834 11.1453 11.1453 11.3071 11.3071 11.4778 11.4778 k = 0.4066 0.4489 0.3000 ( 5290 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7466 -25.7466 -25.7447 -25.7447 -18.0716 -18.0716 -18.0664 -18.0664 -18.0574 -18.0574 -18.0505 -18.0505 0.7745 0.7745 1.0502 1.0502 4.5793 4.5793 4.9074 4.9074 6.0280 6.0280 6.9039 6.9039 7.7477 7.7477 8.4731 8.4731 8.4972 8.4972 8.7699 8.7699 9.8689 9.8689 10.0438 10.0438 10.1456 10.1456 11.0597 11.0597 11.1496 11.1496 11.3250 11.3250 11.4851 11.4851 k = 0.4004 0.4679 0.3200 ( 5284 PWs) bands (ev): -51.3894 -51.3894 -51.3892 -51.3892 -25.7469 -25.7469 -25.7448 -25.7448 -18.0726 -18.0726 -18.0679 -18.0679 -18.0576 -18.0576 -18.0503 -18.0503 0.8209 0.8209 1.0983 1.0983 4.5942 4.5942 4.9495 4.9495 5.8938 5.8938 6.7859 6.7859 7.6722 7.6722 8.4973 8.4973 8.5221 8.5221 8.7675 8.7675 9.8245 9.8245 9.9685 9.9685 10.2134 10.2134 11.0412 11.0412 11.1562 11.1562 11.3401 11.3401 11.4962 11.4962 k = 0.3942 0.4869 0.3400 ( 5294 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7471 -25.7471 -25.7452 -25.7452 -18.0738 -18.0738 -18.0695 -18.0695 -18.0577 -18.0577 -18.0501 -18.0501 0.8700 0.8700 1.1494 1.1494 4.6059 4.6059 4.9940 4.9940 5.7618 5.7618 6.6702 6.6702 7.5905 7.5905 8.5206 8.5206 8.5479 8.5479 8.7688 8.7688 9.7779 9.7779 9.8952 9.8952 10.2850 10.2850 11.0298 11.0298 11.1636 11.1636 11.3529 11.3529 11.5106 11.5106 k = 0.3879 0.5059 0.3600 ( 5294 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7474 -25.7474 -25.7453 -25.7453 -18.0751 -18.0751 -18.0710 -18.0710 -18.0579 -18.0579 -18.0498 -18.0498 0.9220 0.9220 1.2033 1.2033 4.6128 4.6128 5.0407 5.0407 5.6337 5.6337 6.5576 6.5576 7.5027 7.5027 8.5401 8.5401 8.5754 8.5754 8.7753 8.7753 9.7305 9.7305 9.8245 9.8245 10.3590 10.3590 11.0264 11.0264 11.1712 11.1712 11.3641 11.3641 11.5277 11.5277 k = 0.3817 0.5249 0.3800 ( 5302 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7477 -25.7477 -25.7456 -25.7456 -18.0764 -18.0764 -18.0726 -18.0726 -18.0579 -18.0579 -18.0496 -18.0496 0.9768 0.9768 1.2601 1.2601 4.6122 4.6122 5.0895 5.0895 5.5119 5.5119 6.4492 6.4492 7.4095 7.4095 8.5539 8.5539 8.6048 8.6048 8.7883 8.7883 9.6826 9.6826 9.7566 9.7566 10.4349 10.4349 11.0309 11.0309 11.1784 11.1784 11.3744 11.3744 11.5465 11.5465 k = 0.3755 0.5439 0.4000 ( 5296 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7479 -25.7479 -25.7458 -25.7458 -18.0778 -18.0778 -18.0742 -18.0742 -18.0579 -18.0579 -18.0493 -18.0493 1.0344 1.0344 1.3198 1.3198 4.6007 4.6007 5.1395 5.1395 5.3999 5.3999 6.3460 6.3460 7.3113 7.3113 8.5613 8.5613 8.6356 8.6356 8.8084 8.8084 9.6339 9.6339 9.6921 9.6921 10.5127 10.5127 11.0434 11.0434 11.1850 11.1850 11.3844 11.3844 11.5663 11.5663 k = 0.3693 0.5629 0.4199 ( 5300 PWs) bands (ev): -51.3893 -51.3893 -51.3890 -51.3890 -25.7481 -25.7481 -25.7460 -25.7460 -18.0792 -18.0792 -18.0758 -18.0758 -18.0579 -18.0579 -18.0491 -18.0491 1.0947 1.0947 1.3823 1.3823 4.5743 4.5743 5.1872 5.1872 5.3042 5.3042 6.2494 6.2494 7.2087 7.2087 8.5633 8.5633 8.6668 8.6668 8.8352 8.8352 9.5841 9.5841 9.6314 9.6314 10.5924 10.5924 11.0634 11.0634 11.1907 11.1907 11.3948 11.3948 11.5860 11.5860 k = 0.3630 0.5819 0.4399 ( 5300 PWs) bands (ev): -51.3893 -51.3893 -51.3890 -51.3890 -25.7483 -25.7483 -25.7463 -25.7463 -18.0805 -18.0805 -18.0774 -18.0774 -18.0578 -18.0578 -18.0488 -18.0488 1.1578 1.1578 1.4475 1.4475 4.5291 4.5291 5.1880 5.1880 5.2719 5.2719 6.1612 6.1612 7.1022 7.1022 8.5611 8.5611 8.6977 8.6977 8.8674 8.8674 9.5327 9.5327 9.5752 9.5752 10.6740 10.6740 11.0902 11.0902 11.1952 11.1952 11.4060 11.4060 11.6046 11.6046 k = 0.3568 0.6009 0.4599 ( 5282 PWs) bands (ev): -51.3892 -51.3892 -51.3890 -51.3890 -25.7485 -25.7485 -25.7464 -25.7464 -18.0819 -18.0819 -18.0789 -18.0789 -18.0577 -18.0577 -18.0486 -18.0486 1.2235 1.2235 1.5155 1.5155 4.4635 4.4635 5.1259 5.1259 5.3189 5.3189 6.0833 6.0833 6.9925 6.9925 8.5561 8.5561 8.7276 8.7276 8.9041 8.9041 9.4802 9.4802 9.5233 9.5233 10.7575 10.7575 11.1229 11.1229 11.1982 11.1982 11.4182 11.4182 11.6203 11.6203 k = 0.3506 0.6199 0.4799 ( 5284 PWs) bands (ev): -51.3892 -51.3892 -51.3890 -51.3890 -25.7487 -25.7487 -25.7467 -25.7467 -18.0833 -18.0833 -18.0805 -18.0805 -18.0576 -18.0576 -18.0483 -18.0483 1.2919 1.2919 1.5862 1.5862 4.3788 4.3788 5.0660 5.0660 5.3768 5.3768 6.0178 6.0178 6.8801 6.8801 8.5491 8.5491 8.7557 8.7557 8.9440 8.9440 9.4277 9.4277 9.4748 9.4748 10.8426 10.8426 11.1603 11.1603 11.1995 11.1995 11.4319 11.4319 11.6300 11.6300 k = 0.3444 0.6389 0.4999 ( 5284 PWs) bands (ev): -51.3892 -51.3892 -51.3889 -51.3889 -25.7489 -25.7489 -25.7469 -25.7469 -18.0847 -18.0847 -18.0820 -18.0820 -18.0574 -18.0574 -18.0481 -18.0481 1.3630 1.3630 1.6595 1.6595 4.2789 4.2789 5.0103 5.0103 5.4380 5.4380 5.9667 5.9667 6.7655 6.7655 8.5412 8.5412 8.7815 8.7815 8.9863 8.9863 9.3763 9.3763 9.4286 9.4286 10.9290 10.9290 11.1966 11.1966 11.2032 11.2032 11.4474 11.4474 11.6311 11.6311 k = 0.3381 0.6579 0.5199 ( 5284 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7491 -25.7491 -25.7471 -25.7471 -18.0860 -18.0860 -18.0835 -18.0835 -18.0573 -18.0573 -18.0479 -18.0479 1.4366 1.4366 1.7355 1.7355 4.1681 4.1681 4.9540 4.9540 5.5013 5.5013 5.9312 5.9312 6.6493 6.6493 8.5327 8.5327 8.8042 8.8042 9.0301 9.0301 9.3273 9.3273 9.3844 9.3844 11.0153 11.0153 11.1958 11.1958 11.2438 11.2438 11.4649 11.4649 11.6252 11.6252 k = 0.3319 0.6769 0.5399 ( 5276 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7493 -25.7493 -25.7473 -25.7473 -18.0873 -18.0873 -18.0848 -18.0848 -18.0572 -18.0572 -18.0476 -18.0476 1.5128 1.5128 1.8140 1.8140 4.0502 4.0502 4.8935 4.8935 5.5665 5.5665 5.9118 5.9118 6.5320 6.5320 8.5242 8.5242 8.8231 8.8231 9.0742 9.0742 9.2815 9.2815 9.3419 9.3419 11.0975 11.0975 11.1938 11.1938 11.2863 11.2863 11.4846 11.4846 11.6166 11.6166 k = 0.3257 0.6959 0.5599 ( 5284 PWs) bands (ev): -51.3891 -51.3891 -51.3888 -51.3888 -25.7495 -25.7495 -25.7475 -25.7475 -18.0886 -18.0886 -18.0862 -18.0862 -18.0571 -18.0571 -18.0474 -18.0474 1.5915 1.5915 1.8950 1.8950 3.9279 3.9279 4.8272 4.8272 5.6330 5.6330 5.9073 5.9073 6.4146 6.4146 8.5159 8.5159 8.8377 8.8377 9.1150 9.1150 9.2417 9.2417 9.3017 9.3017 11.1515 11.1515 11.2123 11.2123 11.3294 11.3294 11.5058 11.5058 11.6093 11.6093 k = 0.3194 0.7149 0.5799 ( 5278 PWs) bands (ev): -51.3891 -51.3891 -51.3888 -51.3888 -25.7497 -25.7497 -25.7477 -25.7477 -18.0898 -18.0898 -18.0874 -18.0874 -18.0569 -18.0569 -18.0472 -18.0472 1.6728 1.6728 1.9785 1.9785 3.8030 3.8030 4.7549 4.7549 5.7006 5.7006 5.9156 5.9156 6.2983 6.2983 8.5081 8.5081 8.8473 8.8473 9.1388 9.1388 9.2190 9.2190 9.2662 9.2662 11.1521 11.1521 11.2678 11.2678 11.3778 11.3778 11.5267 11.5267 11.6075 11.6075 k = 0.3132 0.7339 0.5999 ( 5280 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7499 -25.7499 -25.7479 -25.7479 -18.0909 -18.0909 -18.0886 -18.0886 -18.0568 -18.0568 -18.0470 -18.0470 1.7565 1.7565 2.0644 2.0644 3.6768 3.6768 4.6773 4.6773 5.7682 5.7682 5.9324 5.9324 6.1865 6.1865 8.5010 8.5010 8.8514 8.8514 9.1243 9.1243 9.2094 9.2094 9.2606 9.2606 11.1377 11.1377 11.3118 11.3118 11.4355 11.4355 11.5444 11.5444 11.6187 11.6187 k = 0.3070 0.7529 0.6199 ( 5286 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7501 -25.7501 -25.7481 -25.7481 -18.0920 -18.0920 -18.0897 -18.0897 -18.0567 -18.0567 -18.0468 -18.0468 1.8425 1.8425 2.1527 2.1527 3.5502 3.5502 4.5955 4.5955 5.8323 5.8323 5.9453 5.9453 6.0938 6.0938 8.4947 8.4947 8.8496 8.8496 9.0928 9.0928 9.1786 9.1786 9.2974 9.2974 11.1178 11.1178 11.3373 11.3373 11.4891 11.4891 11.5563 11.5563 11.6557 11.6557 k = 0.3008 0.7719 0.6399 ( 5286 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7502 -25.7502 -25.7482 -25.7482 -18.0929 -18.0929 -18.0907 -18.0907 -18.0567 -18.0567 -18.0466 -18.0466 1.9310 1.9310 2.2432 2.2432 3.4238 3.4238 4.5109 4.5109 5.8545 5.8545 5.9433 5.9433 6.0675 6.0675 8.4895 8.4895 8.8417 8.8417 9.0592 9.0592 9.1448 9.1448 9.3432 9.3432 11.0936 11.0936 11.3505 11.3505 11.5241 11.5241 11.5640 11.5640 11.7244 11.7244 k = 0.2945 0.7909 0.6599 ( 5292 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7504 -25.7504 -25.7484 -25.7484 -18.0938 -18.0938 -18.0916 -18.0916 -18.0566 -18.0566 -18.0465 -18.0465 2.0218 2.0218 2.3359 2.3359 3.2981 3.2981 4.4244 4.4244 5.7715 5.7715 5.9957 5.9957 6.1009 6.1009 8.4854 8.4854 8.8275 8.8275 9.0265 9.0265 9.1118 9.1118 9.3909 9.3909 11.0657 11.0657 11.3548 11.3548 11.5433 11.5433 11.5728 11.5728 11.8138 11.8138 k = 0.2883 0.8099 0.6799 ( 5292 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7505 -25.7505 -25.7485 -25.7485 -18.0946 -18.0946 -18.0924 -18.0924 -18.0565 -18.0565 -18.0463 -18.0463 2.1148 2.1148 2.4306 2.4306 3.1735 3.1735 4.3369 4.3369 5.6615 5.6615 6.0629 6.0629 6.1540 6.1540 8.4824 8.4824 8.8071 8.8071 8.9956 8.9956 9.0803 9.0803 9.4384 9.4384 11.0345 11.0345 11.3511 11.3511 11.5504 11.5504 11.5898 11.5898 11.9121 11.9121 k = 0.2821 0.8289 0.6999 ( 5284 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7506 -25.7506 -25.7485 -25.7485 -18.0953 -18.0953 -18.0931 -18.0931 -18.0564 -18.0564 -18.0462 -18.0462 2.2100 2.2100 2.5271 2.5271 3.0504 3.0504 4.2492 4.2492 5.5468 5.5468 6.1321 6.1321 6.2166 6.2166 8.4807 8.4807 8.7806 8.7806 8.9667 8.9667 9.0504 9.0504 9.4850 9.4850 11.0002 11.0002 11.3392 11.3392 11.5517 11.5517 11.6154 11.6154 12.0115 12.0115 k = 0.2759 0.8479 0.7199 ( 5282 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7506 -25.7506 -25.7486 -25.7486 -18.0958 -18.0958 -18.0936 -18.0936 -18.0564 -18.0564 -18.0460 -18.0460 2.3072 2.3072 2.6246 2.6246 2.9297 2.9297 4.1619 4.1619 5.4311 5.4311 6.2023 6.2023 6.2853 6.2853 8.4804 8.4804 8.7485 8.7485 8.9399 8.9399 9.0223 9.0223 9.5299 9.5299 10.9633 10.9633 11.3189 11.3189 11.5523 11.5523 11.6476 11.6476 12.1009 12.1009 k = 0.2696 0.8669 0.7399 ( 5280 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7507 -25.7507 -25.7487 -25.7487 -18.0962 -18.0962 -18.0941 -18.0941 -18.0563 -18.0563 -18.0459 -18.0459 2.4063 2.4063 2.7177 2.7177 2.8168 2.8168 4.0756 4.0756 5.3157 5.3157 6.2736 6.2736 6.3583 6.3583 8.4813 8.4813 8.7112 8.7112 8.9152 8.9152 8.9960 8.9960 9.5725 9.5725 10.9243 10.9243 11.2901 11.2901 11.5547 11.5547 11.6859 11.6859 12.1616 12.1616 k = 0.2634 0.8859 0.7599 ( 5280 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7507 -25.7507 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0563 -18.0563 -18.0459 -18.0459 2.5065 2.5065 2.6822 2.6822 2.8364 2.8364 3.9910 3.9910 5.2012 5.2012 6.3462 6.3462 6.4342 6.4342 8.4834 8.4834 8.6693 8.6693 8.8926 8.8926 8.9716 8.9716 9.6123 9.6123 10.8836 10.8836 11.2534 11.2534 11.5602 11.5602 11.7296 11.7296 12.1952 12.1952 k = 0.2634 0.8859 0.7599 ( 5280 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7507 -25.7507 -25.7488 -25.7488 -18.0965 -18.0965 -18.0944 -18.0944 -18.0563 -18.0563 -18.0459 -18.0459 2.5065 2.5065 2.6822 2.6822 2.8364 2.8364 3.9910 3.9910 5.2012 5.2012 6.3462 6.3462 6.4342 6.4342 8.4834 8.4834 8.6693 8.6693 8.8926 8.8926 8.9716 8.9716 9.6123 9.6123 10.8836 10.8836 11.2534 11.2534 11.5602 11.5602 11.7296 11.7296 12.1952 12.1952 k = 0.2371 0.8819 0.7642 ( 5281 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0966 -18.0966 -18.0945 -18.0945 -18.0564 -18.0564 -18.0458 -18.0458 2.5232 2.5232 2.6597 2.6597 2.8638 2.8638 3.9681 3.9681 5.1827 5.1827 6.2956 6.2956 6.5174 6.5174 8.4842 8.4842 8.6530 8.6530 8.8872 8.8872 8.9679 8.9679 9.6222 9.6222 10.8685 10.8685 11.2431 11.2431 11.5698 11.5698 11.7448 11.7448 12.2028 12.2028 k = 0.2107 0.8778 0.7685 ( 5275 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0966 -18.0966 -18.0945 -18.0945 -18.0564 -18.0564 -18.0458 -18.0458 2.5316 2.5316 2.6384 2.6384 2.9040 2.9040 3.9359 3.9359 5.1762 5.1762 6.2162 6.2162 6.6297 6.6297 8.4853 8.4853 8.6236 8.6236 8.8807 8.8807 8.9669 8.9669 9.6351 9.6351 10.8431 10.8431 11.2304 11.2304 11.5942 11.5942 11.7701 11.7701 12.2134 12.2134 k = 0.1844 0.8737 0.7728 ( 5275 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0967 -18.0967 -18.0945 -18.0945 -18.0564 -18.0564 -18.0457 -18.0457 2.5344 2.5344 2.6189 2.6189 2.9537 2.9537 3.8949 3.8949 5.1810 5.1810 6.1360 6.1360 6.7422 6.7422 8.4864 8.4864 8.5830 8.5830 8.8733 8.8733 8.9683 8.9683 9.6503 9.6503 10.8108 10.8108 11.2159 11.2159 11.6309 11.6309 11.8040 11.8040 12.2264 12.2264 k = 0.1580 0.8696 0.7771 ( 5277 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0968 -18.0968 -18.0945 -18.0945 -18.0564 -18.0564 -18.0457 -18.0457 2.5339 2.5339 2.6014 2.6014 3.0100 3.0100 3.8464 3.8464 5.1957 5.1957 6.0580 6.0580 6.8514 6.8514 8.4856 8.4856 8.5357 8.5357 8.8655 8.8655 8.9713 8.9713 9.6669 9.6669 10.7754 10.7754 11.2009 11.2009 11.6763 11.6763 11.8449 11.8449 12.2413 12.2413 k = 0.1317 0.8655 0.7815 ( 5279 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7508 -25.7508 -25.7487 -25.7487 -18.0968 -18.0968 -18.0945 -18.0945 -18.0564 -18.0564 -18.0457 -18.0457 2.5320 2.5320 2.5861 2.5861 3.0705 3.0705 3.7919 3.7919 5.2185 5.2185 5.9836 5.9836 6.9550 6.9550 8.4652 8.4652 8.5024 8.5024 8.8577 8.8577 8.9751 8.9751 9.6840 9.6840 10.7399 10.7399 11.1864 11.1864 11.7269 11.7269 11.8907 11.8907 12.2577 12.2577 k = 0.1054 0.8614 0.7858 ( 5281 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7487 -25.7487 -18.0969 -18.0969 -18.0946 -18.0946 -18.0564 -18.0564 -18.0457 -18.0457 2.5297 2.5297 2.5731 2.5731 3.1333 3.1333 3.7335 3.7335 5.2470 5.2470 5.9144 5.9144 7.0500 7.0500 8.4134 8.4134 8.4989 8.4989 8.8505 8.8505 8.9788 8.9788 9.7003 9.7003 10.7070 10.7070 11.1733 11.1733 11.7788 11.7788 11.9389 11.9389 12.2753 12.2753 k = 0.0790 0.8573 0.7901 ( 5281 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7487 -25.7487 -18.0969 -18.0969 -18.0946 -18.0946 -18.0565 -18.0565 -18.0457 -18.0457 2.5277 2.5277 2.5626 2.5626 3.1964 3.1964 3.6732 3.6732 5.2780 5.2780 5.8526 5.8526 7.1329 7.1329 8.3599 8.3599 8.4996 8.4996 8.8443 8.8443 8.9821 8.9821 9.7148 9.7148 10.6789 10.6789 11.1625 11.1625 11.8279 11.8279 11.9862 11.9862 12.2937 12.2937 k = 0.0527 0.8532 0.7944 ( 5280 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7486 -25.7486 -18.0969 -18.0969 -18.0946 -18.0946 -18.0565 -18.0565 -18.0456 -18.0456 2.5264 2.5264 2.5548 2.5548 3.2565 3.2565 3.6148 3.6148 5.3073 5.3073 5.8018 5.8018 7.1986 7.1986 8.3142 8.3142 8.5008 8.5008 8.8395 8.8395 8.9847 8.9847 9.7262 9.7262 10.6575 10.6575 11.1544 11.1544 11.8692 11.8692 12.0279 12.0279 12.3123 12.3123 k = 0.0263 0.8491 0.7987 ( 5285 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7510 -25.7510 -25.7486 -25.7486 -18.0969 -18.0969 -18.0946 -18.0946 -18.0565 -18.0565 -18.0456 -18.0456 2.5257 2.5257 2.5499 2.5499 3.3063 3.3063 3.5659 3.5659 5.3292 5.3292 5.7672 5.7672 7.2416 7.2416 8.2830 8.2830 8.5016 8.5016 8.8365 8.8365 8.9863 8.9863 9.7335 9.7335 10.6440 10.6440 11.1494 11.1494 11.8972 11.8972 12.0579 12.0579 12.3292 12.3292 k = 0.0000 0.8450 0.8030 ( 5276 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7486 -25.7486 -18.0969 -18.0969 -18.0945 -18.0945 -18.0565 -18.0565 -18.0456 -18.0456 2.5255 2.5255 2.5482 2.5482 3.3281 3.3281 3.5444 3.5444 5.3375 5.3375 5.7547 5.7547 7.2566 7.2566 8.2718 8.2718 8.5019 8.5019 8.8355 8.8355 8.9868 8.9868 9.7360 9.7360 10.6394 10.6394 11.1477 11.1477 11.9072 11.9072 12.0691 12.0691 12.3374 12.3374 k = 0.0000 0.8450 0.8030 ( 5276 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7486 -25.7486 -18.0969 -18.0969 -18.0945 -18.0945 -18.0565 -18.0565 -18.0456 -18.0456 2.5255 2.5255 2.5482 2.5482 3.3281 3.3281 3.5444 3.5444 5.3375 5.3375 5.7547 5.7547 7.2566 7.2566 8.2718 8.2718 8.5019 8.5019 8.8355 8.8355 8.9868 8.9868 9.7360 9.7360 10.6394 10.6394 11.1477 11.1477 11.9072 11.9072 12.0691 12.0691 12.3374 12.3374 k = 0.0063 0.8259 0.8231 ( 5282 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7487 -25.7487 -18.0969 -18.0969 -18.0946 -18.0946 -18.0565 -18.0565 -18.0457 -18.0457 2.5269 2.5269 2.5494 2.5494 3.3295 3.3295 3.5456 3.5456 5.3392 5.3392 5.7549 5.7549 7.2576 7.2576 8.2673 8.2673 8.5000 8.5000 8.8303 8.8303 8.9834 8.9834 9.7341 9.7341 10.6094 10.6094 11.1746 11.1746 11.8961 11.8961 12.0690 12.0690 12.2888 12.2888 k = 0.0125 0.8068 0.8432 ( 5282 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7510 -25.7510 -25.7487 -25.7487 -18.0969 -18.0969 -18.0946 -18.0946 -18.0567 -18.0567 -18.0458 -18.0458 2.5312 2.5312 2.5530 2.5530 3.3336 3.3336 3.5493 3.5493 5.3443 5.3443 5.7556 5.7556 7.2604 7.2604 8.2535 8.2535 8.4949 8.4949 8.8148 8.8148 8.9731 8.9731 9.7285 9.7285 10.5331 10.5331 11.2413 11.2413 11.8620 11.8620 12.0713 12.0713 12.1944 12.1944 k = 0.0187 0.7878 0.8632 ( 5276 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7488 -25.7488 -18.0968 -18.0968 -18.0947 -18.0947 -18.0569 -18.0569 -18.0460 -18.0460 2.5383 2.5383 2.5590 2.5590 3.3404 3.3404 3.5554 3.5554 5.3528 5.3528 5.7567 5.7567 7.2652 7.2652 8.2293 8.2293 8.4882 8.4882 8.7893 8.7893 8.9559 8.9559 9.7195 9.7195 10.4313 10.4313 11.3267 11.3267 11.8080 11.8080 12.0384 12.0384 12.1369 12.1369 k = 0.0250 0.7687 0.8833 ( 5274 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7510 -25.7510 -25.7488 -25.7488 -18.0968 -18.0968 -18.0947 -18.0947 -18.0572 -18.0572 -18.0463 -18.0463 2.5481 2.5481 2.5676 2.5676 3.3499 3.3499 3.5639 3.5639 5.3647 5.3647 5.7581 5.7581 7.2718 7.2718 8.1938 8.1938 8.4816 8.4816 8.7545 8.7545 8.9316 8.9316 9.7073 9.7073 10.3160 10.3160 11.4171 11.4171 11.7424 11.7424 11.9346 11.9346 12.1626 12.1626 k = 0.0312 0.7496 0.9034 ( 5276 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7510 -25.7510 -25.7489 -25.7489 -18.0968 -18.0968 -18.0948 -18.0948 -18.0576 -18.0576 -18.0466 -18.0466 2.5605 2.5605 2.5787 2.5787 3.3621 3.3621 3.5749 3.5749 5.3798 5.3798 5.7599 5.7599 7.2801 7.2801 8.1469 8.1469 8.4764 8.4764 8.7109 8.7109 8.9003 8.9003 9.6922 9.6922 10.1931 10.1931 11.4996 11.4996 11.6763 11.6763 11.8219 11.8219 12.2120 12.2120 k = 0.0375 0.7305 0.9235 ( 5278 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7511 -25.7511 -25.7490 -25.7490 -18.0967 -18.0967 -18.0949 -18.0949 -18.0581 -18.0581 -18.0471 -18.0471 2.5752 2.5752 2.5927 2.5927 3.3771 3.3771 3.5884 3.5884 5.3982 5.3982 5.7620 5.7620 7.2903 7.2903 8.0891 8.0891 8.4730 8.4730 8.6594 8.6594 8.8620 8.8620 9.6742 9.6742 10.0657 10.0657 11.5266 11.5266 11.6442 11.6442 11.7256 11.7256 12.2723 12.2723 k = 0.0437 0.7115 0.9435 ( 5284 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7512 -25.7512 -25.7492 -25.7492 -18.0967 -18.0967 -18.0951 -18.0951 -18.0587 -18.0587 -18.0476 -18.0476 2.5921 2.5921 2.6097 2.6097 3.3948 3.3948 3.6042 3.6042 5.4198 5.4198 5.7643 5.7643 7.3021 7.3021 8.0217 8.0217 8.4712 8.4712 8.6012 8.6012 8.8169 8.8169 9.6528 9.6528 9.9360 9.9360 11.4628 11.4628 11.5867 11.5867 11.7434 11.7434 12.3391 12.3391 k = 0.0500 0.6924 0.9636 ( 5282 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7513 -25.7513 -25.7493 -25.7493 -18.0967 -18.0967 -18.0952 -18.0952 -18.0593 -18.0593 -18.0482 -18.0482 2.6108 2.6108 2.6299 2.6299 3.4151 3.4151 3.6225 3.6225 5.4444 5.4444 5.7668 5.7668 7.3154 7.3154 7.9462 7.9462 8.4695 8.4695 8.5382 8.5382 8.7653 8.7653 9.6259 9.6259 9.8074 9.8074 11.3713 11.3713 11.4989 11.4989 11.8180 11.8180 12.4076 12.4076 k = 0.0563 0.6733 0.9837 ( 5278 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7514 -25.7514 -25.7494 -25.7494 -18.0966 -18.0966 -18.0953 -18.0953 -18.0601 -18.0601 -18.0487 -18.0487 2.6312 2.6312 2.6535 2.6535 3.4382 3.4382 3.6432 3.6432 5.4719 5.4719 5.7692 5.7692 7.3301 7.3301 7.8642 7.8642 8.4521 8.4521 8.4865 8.4865 8.7078 8.7078 9.5822 9.5822 9.6916 9.6916 11.2697 11.2697 11.4196 11.4196 11.8933 11.8933 12.4660 12.4660 k = 0.0625 0.6542 1.0038 ( 5270 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7515 -25.7515 -25.7495 -25.7495 -18.0966 -18.0966 -18.0955 -18.0955 -18.0608 -18.0608 -18.0493 -18.0493 2.6534 2.6534 2.6802 2.6802 3.4639 3.4639 3.6663 3.6663 5.5021 5.5021 5.7717 5.7717 7.3460 7.3460 7.7772 7.7772 8.3861 8.3861 8.4791 8.4791 8.6454 8.6454 9.4906 9.4906 9.6202 9.6202 11.1640 11.1640 11.3503 11.3503 11.9621 11.9621 12.4924 12.4924 k = 0.0688 0.6351 1.0238 ( 5278 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7517 -25.7517 -25.7497 -25.7497 -18.0966 -18.0966 -18.0957 -18.0957 -18.0617 -18.0617 -18.0500 -18.0500 2.6774 2.6774 2.7100 2.7100 3.4923 3.4923 3.6919 3.6919 5.5347 5.5347 5.7739 5.7739 7.3626 7.3626 7.6866 7.6866 8.3092 8.3092 8.4768 8.4768 8.5807 8.5807 9.3648 9.3648 9.5798 9.5798 11.0573 11.0573 11.2900 11.2900 12.0218 12.0218 12.4996 12.4996 k = 0.0750 0.6161 1.0439 ( 5280 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7519 -25.7519 -25.7499 -25.7499 -18.0966 -18.0966 -18.0960 -18.0960 -18.0626 -18.0626 -18.0507 -18.0507 2.7033 2.7033 2.7428 2.7428 3.5234 3.5234 3.7198 3.7198 5.5695 5.5695 5.7758 5.7758 7.3792 7.3792 7.5943 7.5943 8.2289 8.2289 8.4614 8.4614 8.5253 8.5253 9.2311 9.2311 9.5443 9.5443 10.9514 10.9514 11.2387 11.2387 12.0710 12.0710 12.4997 12.4997 k = 0.0813 0.5970 1.0640 ( 5266 PWs) bands (ev): -51.3888 -51.3888 -51.3885 -51.3885 -25.7520 -25.7520 -25.7500 -25.7500 -18.0966 -18.0966 -18.0962 -18.0962 -18.0634 -18.0634 -18.0514 -18.0514 2.7312 2.7312 2.7783 2.7783 3.5571 3.5571 3.7501 3.7501 5.6060 5.6060 5.7774 5.7774 7.3924 7.3924 7.5043 7.5043 8.1465 8.1465 8.4070 8.4070 8.5045 8.5045 9.0965 9.0965 9.5077 9.5077 10.8472 10.8472 11.1964 11.1964 12.1088 12.1088 12.4943 12.4943 k = 0.0875 0.5779 1.0841 ( 5272 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7522 -25.7522 -25.7502 -25.7502 -18.0968 -18.0968 -18.0965 -18.0965 -18.0644 -18.0644 -18.0522 -18.0522 2.7610 2.7610 2.8165 2.8165 3.5934 3.5934 3.7828 3.7828 5.6433 5.6433 5.7787 5.7787 7.3735 7.3735 7.4457 7.4457 8.0631 8.0631 8.3323 8.3323 8.4985 8.4985 8.9640 8.9640 9.4685 9.4685 10.7451 10.7451 11.1635 11.1635 12.1351 12.1351 12.4833 12.4833 k = 0.0938 0.5588 1.1041 ( 5272 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7524 -25.7524 -25.7504 -25.7504 -18.0970 -18.0970 -18.0967 -18.0967 -18.0653 -18.0653 -18.0529 -18.0529 2.7928 2.7928 2.8574 2.8574 3.6323 3.6323 3.8178 3.8178 5.6801 5.6801 5.7803 5.7803 7.2931 7.2931 7.4486 7.4486 7.9799 7.9799 8.2523 8.2523 8.4890 8.4890 8.8385 8.8385 9.4261 9.4261 10.6452 10.6452 11.1402 11.1402 12.1500 12.1500 12.4662 12.4662 k = 0.1000 0.5398 1.1242 ( 5270 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7526 -25.7526 -25.7506 -25.7506 -18.0974 -18.0974 -18.0969 -18.0969 -18.0662 -18.0662 -18.0536 -18.0536 2.8265 2.8265 2.9008 2.9008 3.6738 3.6738 3.8552 3.8552 5.7133 5.7133 5.7842 5.7842 7.2022 7.2022 7.4617 7.4617 7.8982 7.8982 8.1701 8.1701 8.4636 8.4636 8.7303 8.7303 9.3806 9.3806 10.5477 10.5477 11.1264 11.1264 12.1542 12.1542 12.4422 12.4422 k = 0.1062 0.5207 1.1443 ( 5264 PWs) bands (ev): -51.3887 -51.3887 -51.3884 -51.3884 -25.7527 -25.7527 -25.7508 -25.7508 -18.0978 -18.0978 -18.0970 -18.0970 -18.0671 -18.0671 -18.0543 -18.0543 2.8621 2.8621 2.9466 2.9466 3.7179 3.7179 3.8949 3.8949 5.7352 5.7352 5.7967 5.7967 7.1125 7.1125 7.4721 7.4721 7.8206 7.8206 8.0876 8.0876 8.4032 8.4032 8.6581 8.6581 9.3322 9.3322 10.4524 10.4524 11.1221 11.1221 12.1484 12.1484 12.4109 12.4109 k = 0.1125 0.5016 1.1644 ( 5264 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7529 -25.7529 -25.7510 -25.7510 -18.0983 -18.0983 -18.0972 -18.0972 -18.0680 -18.0680 -18.0550 -18.0550 2.8996 2.8996 2.9948 2.9948 3.7644 3.7644 3.9369 3.9369 5.7408 5.7408 5.8210 5.8210 7.0271 7.0271 7.4735 7.4735 7.7517 7.7517 8.0063 8.0063 8.3038 8.3038 8.6257 8.6257 9.2815 9.2815 10.3593 10.3593 11.1269 11.1269 12.1334 12.1334 12.3723 12.3723 k = 0.1187 0.4825 1.1844 ( 5266 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7532 -25.7532 -25.7512 -25.7512 -18.0989 -18.0989 -18.0975 -18.0975 -18.0689 -18.0689 -18.0557 -18.0557 2.9388 2.9388 3.0452 3.0452 3.8135 3.8135 3.9812 3.9812 5.7362 5.7362 5.8486 5.8486 6.9484 6.9484 7.4571 7.4571 7.6990 7.6990 7.9278 7.9278 8.1835 8.1835 8.6153 8.6153 9.2292 9.2292 10.2683 10.2683 11.1403 11.1403 12.1102 12.1102 12.3268 12.3268 k = 0.1250 0.4635 1.2045 ( 5260 PWs) bands (ev): -51.3886 -51.3886 -51.3883 -51.3883 -25.7533 -25.7533 -25.7514 -25.7514 -18.0994 -18.0994 -18.0978 -18.0978 -18.0697 -18.0697 -18.0563 -18.0563 2.9799 2.9799 3.0979 3.0979 3.8650 3.8650 4.0277 4.0277 5.7260 5.7260 5.8721 5.8721 6.8792 6.8792 7.4154 7.4154 7.6680 7.6680 7.8548 7.8548 8.0552 8.0552 8.6140 8.6140 9.1760 9.1760 10.1792 10.1792 11.1619 11.1619 12.0800 12.0800 12.2753 12.2753 k = 0.1313 0.4444 1.2246 ( 5258 PWs) bands (ev): -51.3886 -51.3886 -51.3883 -51.3883 -25.7535 -25.7535 -25.7517 -25.7517 -18.1000 -18.1000 -18.0981 -18.0981 -18.0704 -18.0704 -18.0569 -18.0569 3.0226 3.0226 3.1526 3.1526 3.9189 3.9189 4.0764 4.0764 5.7112 5.7112 5.8868 5.8868 6.8227 6.8227 7.3520 7.3520 7.6501 7.6501 7.7927 7.7927 7.9246 7.9246 8.6166 8.6166 9.1228 9.1228 10.0920 10.0920 11.1911 11.1911 12.0439 12.0439 12.2188 12.2188 k = 0.1375 0.4253 1.2447 ( 5262 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7537 -25.7537 -25.7519 -25.7519 -18.1007 -18.1007 -18.0985 -18.0985 -18.0712 -18.0712 -18.0575 -18.0575 3.0669 3.0669 3.2093 3.2093 3.9752 3.9752 4.1273 4.1273 5.6921 5.6921 5.8889 5.8889 6.7820 6.7820 7.2760 7.2760 7.6261 7.6261 7.7493 7.7493 7.7967 7.7967 8.6209 8.6209 9.0704 9.0704 10.0064 10.0064 11.2272 11.2272 12.0031 12.0031 12.1587 12.1587 k = 0.1437 0.4062 1.2647 ( 5258 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7539 -25.7539 -25.7521 -25.7521 -18.1013 -18.1013 -18.0990 -18.0990 -18.0718 -18.0718 -18.0580 -18.0580 3.1127 3.1127 3.2680 3.2680 4.0337 4.0337 4.1804 4.1804 5.6687 5.6687 5.8757 5.8757 6.7590 6.7590 7.1939 7.1939 7.5828 7.5828 7.6615 7.6615 7.7435 7.7435 8.6259 8.6259 9.0198 9.0198 9.9222 9.9222 11.2698 11.2698 11.9588 11.9588 12.0961 12.0961 k = 0.1500 0.3871 1.2848 ( 5256 PWs) bands (ev): -51.3885 -51.3885 -51.3882 -51.3882 -25.7541 -25.7541 -25.7523 -25.7523 -18.1020 -18.1020 -18.0994 -18.0994 -18.0724 -18.0724 -18.0584 -18.0584 3.1600 3.1600 3.3283 3.3283 4.0944 4.0944 4.2355 4.2355 5.6407 5.6407 5.8466 5.8466 6.7533 6.7533 7.1094 7.1094 7.5075 7.5075 7.5611 7.5611 7.7438 7.7438 8.6309 8.6309 8.9717 8.9717 9.8394 9.8394 11.3181 11.3181 11.9122 11.9122 12.0322 12.0322 k = 0.1562 0.3681 1.3049 ( 5264 PWs) bands (ev): -51.3885 -51.3885 -51.3882 -51.3882 -25.7543 -25.7543 -25.7526 -25.7526 -18.1028 -18.1028 -18.1000 -18.1000 -18.0729 -18.0729 -18.0589 -18.0589 3.2085 3.2085 3.3903 3.3903 4.1572 4.1572 4.2925 4.2925 5.6081 5.6081 5.8031 5.8031 6.7601 6.7601 7.0269 7.0269 7.3887 7.3887 7.5064 7.5064 7.7502 7.7502 8.6356 8.6356 8.9272 8.9272 9.7578 9.7578 11.3713 11.3713 11.8646 11.8646 11.9682 11.9682 k = 0.1625 0.3490 1.3250 ( 5264 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7545 -25.7545 -25.7528 -25.7528 -18.1035 -18.1035 -18.1006 -18.1006 -18.0733 -18.0733 -18.0593 -18.0593 3.2582 3.2582 3.4538 3.4538 4.2220 4.2220 4.3515 4.3515 5.5708 5.5708 5.7483 5.7483 6.7667 6.7667 6.9568 6.9568 7.2638 7.2638 7.4651 7.4651 7.7570 7.7570 8.6397 8.6397 8.8871 8.8871 9.6772 9.6772 11.4283 11.4283 11.8173 11.8173 11.9051 11.9051 k = 0.1688 0.3299 1.3450 ( 5260 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7547 -25.7547 -25.7529 -25.7529 -18.1042 -18.1042 -18.1011 -18.1011 -18.0737 -18.0737 -18.0596 -18.0596 3.3089 3.3089 3.5186 3.5186 4.2885 4.2885 4.4122 4.4122 5.5290 5.5290 5.6855 5.6855 6.7432 6.7432 6.9246 6.9246 7.1413 7.1413 7.4321 7.4321 7.7621 7.7621 8.6430 8.6430 8.8520 8.8520 9.5976 9.5976 11.4870 11.4870 11.7722 11.7722 11.8443 11.8443 k = 0.1750 0.3108 1.3651 ( 5262 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7548 -25.7548 -25.7531 -25.7531 -18.1049 -18.1049 -18.1018 -18.1018 -18.0740 -18.0740 -18.0599 -18.0599 3.3603 3.3603 3.5845 3.5845 4.3566 4.3566 4.4744 4.4744 5.4830 5.4830 5.6177 5.6177 6.6774 6.6774 6.9298 6.9298 7.0327 7.0327 7.4069 7.4069 7.7640 7.7640 8.6452 8.6452 8.8225 8.8225 9.5189 9.5189 11.5418 11.5418 11.7333 11.7333 11.7886 11.7886 k = 0.1812 0.2918 1.3852 ( 5260 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7550 -25.7550 -25.7533 -25.7533 -18.1056 -18.1056 -18.1023 -18.1023 -18.0743 -18.0743 -18.0601 -18.0601 3.4122 3.4122 3.6513 3.6513 4.4260 4.4260 4.5380 4.5380 5.4332 5.4332 5.5475 5.5475 6.5928 6.5928 6.8713 6.8713 7.0135 7.0135 7.3897 7.3897 7.7622 7.7622 8.6464 8.6464 8.7990 8.7990 9.4412 9.4412 11.5756 11.5756 11.7038 11.7038 11.7524 11.7524 k = 0.1875 0.2727 1.4053 ( 5262 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7552 -25.7552 -25.7534 -25.7534 -18.1062 -18.1062 -18.1030 -18.1030 -18.0746 -18.0746 -18.0603 -18.0603 3.4642 3.4642 3.7188 3.7188 4.4962 4.4962 4.6025 4.6025 5.3802 5.3802 5.4771 5.4771 6.5023 6.5023 6.7605 6.7605 7.0577 7.0577 7.3808 7.3808 7.7563 7.7563 8.6467 8.6467 8.7814 8.7814 9.3647 9.3647 11.5685 11.5685 11.6645 11.6645 11.7757 11.7757 k = 0.1938 0.2536 1.4253 ( 5254 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7553 -25.7553 -25.7535 -25.7535 -18.1068 -18.1068 -18.1035 -18.1035 -18.0747 -18.0747 -18.0605 -18.0605 3.5160 3.5160 3.7865 3.7865 4.5665 4.5665 4.6674 4.6674 5.3250 5.3250 5.4086 5.4086 6.4101 6.4101 6.6466 6.6466 7.1098 7.1098 7.3806 7.3806 7.7464 7.7464 8.6464 8.6464 8.7690 8.7690 9.2897 9.2897 11.5369 11.5369 11.6207 11.6207 11.8372 11.8372 k = 0.2000 0.2345 1.4454 ( 5256 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7554 -25.7554 -25.7537 -25.7537 -18.1074 -18.1074 -18.1041 -18.1041 -18.0749 -18.0749 -18.0607 -18.0607 3.5669 3.5669 3.8540 3.8540 4.6361 4.6361 4.7318 4.7318 5.2686 5.2686 5.3439 5.3439 6.3180 6.3180 6.5349 6.5349 7.1609 7.1609 7.3901 7.3901 7.7329 7.7329 8.6461 8.6461 8.7610 8.7610 9.2165 9.2165 11.4990 11.4990 11.5800 11.5800 11.9111 11.9111 k = 0.2062 0.2154 1.4655 ( 5262 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7555 -25.7555 -25.7538 -25.7538 -18.1080 -18.1080 -18.1046 -18.1046 -18.0750 -18.0750 -18.0608 -18.0608 3.6163 3.6163 3.9209 3.9209 4.7032 4.7032 4.7939 4.7939 5.2132 5.2132 5.2856 5.2856 6.2273 6.2273 6.4268 6.4268 7.2061 7.2061 7.4103 7.4103 7.7164 7.7164 8.6461 8.6461 8.7564 8.7564 9.1460 9.1460 11.4609 11.4609 11.5440 11.5440 11.9897 11.9897 k = 0.2125 0.1964 1.4856 ( 5264 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7557 -25.7557 -25.7539 -25.7539 -18.1084 -18.1084 -18.1050 -18.1050 -18.0751 -18.0751 -18.0609 -18.0609 3.6634 3.6634 3.9861 3.9861 4.7649 4.7649 4.8507 4.8507 5.1617 5.1617 5.2374 5.2374 6.1390 6.1390 6.3236 6.3236 7.2430 7.2430 7.4409 7.4409 7.6977 7.6977 8.6467 8.6467 8.7544 8.7544 9.0788 9.0788 11.4252 11.4252 11.5128 11.5128 12.0697 12.0697 k = 0.2188 0.1773 1.5056 ( 5264 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7540 -25.7540 -18.1088 -18.1088 -18.1054 -18.1054 -18.0752 -18.0752 -18.0610 -18.0610 3.7071 3.7071 4.0488 4.0488 4.8163 4.8163 4.8957 4.8957 5.1202 5.1202 5.2054 5.2054 6.0544 6.0544 6.2267 6.2267 7.2718 7.2718 7.4787 7.4787 7.6781 7.6781 8.6478 8.6478 8.7543 8.7543 9.0163 9.0163 11.3934 11.3934 11.4865 11.4865 12.1485 12.1485 k = 0.2250 0.1582 1.5257 ( 5262 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1092 -18.1092 -18.1058 -18.1058 -18.0752 -18.0752 -18.0611 -18.0611 3.7461 3.7461 4.1071 4.1071 4.8500 4.8500 4.9184 4.9184 5.0997 5.0997 5.1962 5.1962 5.9752 5.9752 6.1380 6.1380 7.2944 7.2944 7.5182 7.5182 7.6590 7.6590 8.6492 8.6492 8.7557 8.7557 8.9600 8.9600 11.3663 11.3663 11.4650 11.4650 12.2232 12.2232 k = 0.2313 0.1391 1.5458 ( 5262 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7542 -25.7542 -18.1095 -18.1095 -18.1060 -18.1060 -18.0753 -18.0753 -18.0611 -18.0611 3.7789 3.7789 4.1588 4.1588 4.8612 4.8612 4.9145 4.9145 5.1075 5.1075 5.2106 5.2106 5.9042 5.9042 6.0606 6.0606 7.3123 7.3123 7.5539 7.5539 7.6423 7.6423 8.6507 8.6507 8.7583 8.7583 8.9115 8.9115 11.3446 11.3446 11.4483 11.4483 12.2902 12.2902 k = 0.2375 0.1201 1.5659 ( 5260 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7542 -25.7542 -18.1097 -18.1097 -18.1062 -18.1062 -18.0753 -18.0753 -18.0612 -18.0612 3.8039 3.8039 4.2005 4.2005 4.8551 4.8551 4.8989 4.8989 5.1308 5.1308 5.2378 5.2378 5.8454 5.8454 5.9988 5.9988 7.3260 7.3260 7.5799 7.5799 7.6313 7.6313 8.6520 8.6520 8.7621 8.7621 8.8729 8.8729 11.3289 11.3289 11.4364 11.4364 12.3446 12.3446 k = 0.2437 0.1010 1.5859 ( 5270 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7543 -25.7543 -18.1098 -18.1098 -18.1063 -18.1063 -18.0753 -18.0753 -18.0612 -18.0612 3.8196 3.8196 4.2282 4.2282 4.8438 4.8438 4.8866 4.8866 5.1521 5.1521 5.2625 5.2625 5.8051 5.8051 5.9581 5.9581 7.3348 7.3348 7.5911 7.5911 7.6295 7.6295 8.6529 8.6529 8.7662 8.7662 8.8468 8.8468 11.3193 11.3193 11.4292 11.4292 12.3806 12.3806 k = 0.2500 0.0819 1.6060 ( 5276 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0753 -18.0753 -18.0612 -18.0612 3.8250 3.8250 4.2380 4.2380 4.8386 4.8386 4.8822 4.8822 5.1605 5.1605 5.2725 5.2725 5.7906 5.7906 5.9437 5.9437 7.3379 7.3379 7.5927 7.5927 7.6312 7.6312 8.6532 8.6532 8.7683 8.7683 8.8372 8.8372 11.3160 11.3160 11.4268 11.4268 12.3933 12.3933 k = 0.2500 0.0819 1.6060 ( 5276 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0753 -18.0753 -18.0612 -18.0612 3.8250 3.8250 4.2380 4.2380 4.8386 4.8386 4.8822 4.8822 5.1605 5.1605 5.2725 5.2725 5.7906 5.7906 5.9437 5.9437 7.3379 7.3379 7.5927 7.5927 7.6312 7.6312 8.6532 8.6532 8.7683 8.7683 8.8372 8.8372 11.3160 11.3160 11.4268 11.4268 12.3933 12.3933 k = 0.2750 0.0901 1.5974 ( 5270 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0753 -18.0753 -18.0612 -18.0612 3.8244 3.8244 4.2375 4.2375 4.8391 4.8391 4.8828 4.8828 5.1595 5.1595 5.2715 5.2715 5.7735 5.7735 5.9672 5.9672 7.3328 7.3328 7.5825 7.5825 7.6371 7.6371 8.6431 8.6431 8.7764 8.7764 8.8507 8.8507 11.2323 11.2323 11.5066 11.5066 12.3932 12.3932 k = 0.3000 0.0983 1.5888 ( 5275 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0754 -18.0754 -18.0612 -18.0612 3.8228 3.8228 4.2356 4.2356 4.8402 4.8402 4.8853 4.8853 5.1559 5.1559 5.2686 5.2686 5.7416 5.7416 6.0187 6.0187 7.3178 7.3178 7.5598 7.5598 7.6480 7.6480 8.6186 8.6186 8.7951 8.7951 8.8891 8.8891 11.1092 11.1092 11.6178 11.6178 12.3928 12.3928 k = 0.3250 0.1065 1.5801 ( 5275 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1098 -18.1098 -18.1063 -18.1063 -18.0754 -18.0754 -18.0612 -18.0612 3.8206 3.8206 4.2314 4.2314 4.8414 4.8414 4.8907 4.8907 5.1486 5.1486 5.2640 5.2640 5.7127 5.7127 6.0806 6.0806 7.2929 7.2929 7.5319 7.5319 7.6598 7.6598 8.5879 8.5879 8.8179 8.8179 8.9474 8.9474 10.9835 10.9835 11.7236 11.7236 12.3928 12.3928 k = 0.3500 0.1147 1.5715 ( 5273 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1098 -18.1098 -18.1063 -18.1063 -18.0754 -18.0754 -18.0612 -18.0612 3.8182 3.8182 4.2244 4.2244 4.8420 4.8420 4.8997 4.8997 5.1363 5.1363 5.2587 5.2587 5.6929 5.6929 6.1466 6.1466 7.2582 7.2582 7.5038 7.5038 7.6723 7.6723 8.5548 8.5548 8.8414 8.8414 9.0199 9.0199 10.8604 10.8604 11.8185 11.8185 12.3933 12.3933 k = 0.3750 0.1229 1.5629 ( 5271 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1097 -18.1097 -18.1063 -18.1063 -18.0754 -18.0754 -18.0612 -18.0612 3.8158 3.8158 4.2142 4.2142 4.8416 4.8416 4.9125 4.9125 5.1185 5.1185 5.2539 5.2539 5.6838 5.6838 6.2133 6.2133 7.2151 7.2151 7.4791 7.4791 7.6851 7.6851 8.5214 8.5214 8.8636 8.8636 9.1012 9.1012 10.7433 10.7433 11.8997 11.8997 12.3945 12.3945 k = 0.4000 0.1310 1.5543 ( 5269 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7542 -25.7542 -18.1097 -18.1097 -18.1062 -18.1062 -18.0754 -18.0754 -18.0612 -18.0612 3.8137 3.8137 4.2005 4.2005 4.8405 4.8405 4.9287 4.9287 5.0957 5.0957 5.2506 5.2506 5.6851 5.6851 6.2777 6.2777 7.1672 7.1672 7.4595 7.4595 7.6973 7.6973 8.4889 8.4889 8.8833 8.8833 9.1855 9.1855 10.6363 10.6363 11.9651 11.9651 12.3961 12.3961 k = 0.4250 0.1392 1.5457 ( 5263 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7542 -25.7542 -18.1096 -18.1096 -18.1062 -18.1062 -18.0753 -18.0753 -18.0611 -18.0611 3.8119 3.8119 4.1835 4.1835 4.8386 4.8386 4.9473 4.9473 5.0699 5.0699 5.2488 5.2488 5.6959 5.6959 6.3362 6.3362 7.1203 7.1203 7.4450 7.4450 7.7080 7.7080 8.4587 8.4587 8.8997 8.8997 9.2665 9.2665 10.5442 10.5442 12.0145 12.0145 12.3972 12.3972 k = 0.4500 0.1474 1.5371 ( 5262 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1096 -18.1096 -18.1061 -18.1061 -18.0754 -18.0754 -18.0611 -18.0611 3.8104 3.8104 4.1634 4.1634 4.8361 4.8361 4.9674 4.9674 5.0433 5.0433 5.2481 5.2481 5.7150 5.7150 6.3841 6.3841 7.0810 7.0810 7.4351 7.4351 7.7159 7.7159 8.4320 8.4320 8.9122 8.9122 9.3364 9.3364 10.4738 10.4738 12.0485 12.0485 12.3965 12.3965 k = 0.4750 0.1556 1.5284 ( 5257 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1095 -18.1095 -18.1060 -18.1060 -18.0753 -18.0753 -18.0611 -18.0611 3.8090 3.8090 4.1408 4.1408 4.8331 4.8331 4.9872 4.9872 5.0187 5.0187 5.2484 5.2484 5.7413 5.7413 6.4155 6.4155 7.0571 7.0571 7.4294 7.4294 7.7197 7.7197 8.4102 8.4102 8.9205 8.9205 9.3864 9.3864 10.4332 10.4332 12.0690 12.0690 12.3923 12.3923 k = 0.5000 0.1638 1.5198 ( 5252 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1094 -18.1094 -18.1060 -18.1060 -18.0752 -18.0752 -18.0611 -18.0611 3.8072 3.8072 4.1164 4.1164 4.8293 4.8293 4.9891 4.9891 5.0143 5.0143 5.2493 5.2493 5.7739 5.7739 6.4257 6.4257 7.0542 7.0542 7.4273 7.4273 7.7178 7.7178 8.3950 8.3950 8.9242 8.9242 9.4095 9.4095 10.4291 10.4291 12.0776 12.0776 12.3830 12.3830 k = 0.5000 0.1638 1.5198 ( 5252 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1094 -18.1094 -18.1060 -18.1060 -18.0752 -18.0752 -18.0611 -18.0611 3.8072 3.8072 4.1164 4.1164 4.8293 4.8293 4.9891 4.9891 5.0143 5.0143 5.2493 5.2493 5.7739 5.7739 6.4257 6.4257 7.0542 7.0542 7.4273 7.4273 7.7178 7.7178 8.3950 8.3950 8.9242 8.9242 9.4095 9.4095 10.4291 10.4291 12.0776 12.0776 12.3830 12.3830 k = 0.5000 0.1638 1.4911 ( 5260 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7558 -25.7558 -25.7541 -25.7541 -18.1092 -18.1092 -18.1057 -18.1057 -18.0752 -18.0752 -18.0610 -18.0610 3.7979 3.7979 4.0277 4.0277 4.8019 4.8019 4.9333 4.9333 5.0844 5.0844 5.2554 5.2554 5.8952 5.8952 6.4217 6.4217 7.0866 7.0866 7.4261 7.4261 7.6987 7.6987 8.3520 8.3520 8.9300 8.9300 9.4414 9.4414 10.4873 10.4873 12.0895 12.0895 12.3376 12.3376 k = 0.5000 0.1638 1.4625 ( 5264 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7557 -25.7557 -25.7540 -25.7540 -18.1088 -18.1088 -18.1054 -18.1054 -18.0752 -18.0752 -18.0610 -18.0610 3.7834 3.7834 3.9306 3.9306 4.7433 4.7433 4.9121 4.9121 5.1614 5.1614 5.2656 5.2656 6.0207 6.0207 6.4165 6.4165 7.1256 7.1256 7.4250 7.4250 7.6771 7.6771 8.3014 8.3014 8.9379 8.9379 9.4813 9.4813 10.5574 10.5574 12.1033 12.1033 12.2854 12.2854 k = 0.5000 0.1638 1.4338 ( 5262 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7556 -25.7556 -25.7539 -25.7539 -18.1084 -18.1084 -18.1049 -18.1049 -18.0751 -18.0751 -18.0609 -18.0609 3.7620 3.7620 3.8281 3.8281 4.6731 4.6731 4.9125 4.9125 5.2394 5.2394 5.2793 5.2793 6.1486 6.1486 6.4102 6.4102 7.1684 7.1684 7.4246 7.4246 7.6547 7.6547 8.2463 8.2463 8.9481 8.9481 9.5284 9.5284 10.6373 10.6373 12.1179 12.1179 12.2293 12.2293 k = 0.5000 0.1638 1.4051 ( 5262 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7556 -25.7556 -25.7538 -25.7538 -18.1078 -18.1078 -18.1044 -18.1044 -18.0751 -18.0751 -18.0608 -18.0608 3.7212 3.7212 3.7328 3.7328 4.6075 4.6075 4.9214 4.9214 5.2937 5.2937 5.3192 5.3192 6.2774 6.2774 6.4028 6.4028 7.2103 7.2103 7.4268 7.4268 7.6334 7.6334 8.1905 8.1905 8.9603 8.9603 9.5819 9.5819 10.7248 10.7248 12.1295 12.1295 12.1738 12.1738 k = 0.5000 0.1638 1.3764 ( 5254 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7554 -25.7554 -25.7536 -25.7536 -18.1072 -18.1072 -18.1038 -18.1038 -18.0749 -18.0749 -18.0607 -18.0607 3.6141 3.6141 3.6910 3.6910 4.5531 4.5531 4.9349 4.9349 5.3133 5.3133 5.3951 5.3951 6.3854 6.3854 6.4152 6.4152 7.2439 7.2439 7.4349 7.4349 7.6156 7.6156 8.1386 8.1386 8.9748 8.9748 9.6411 9.6411 10.8179 10.8179 12.1032 12.1032 12.1542 12.1542 k = 0.5000 0.1638 1.3478 ( 5264 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7553 -25.7553 -25.7535 -25.7535 -18.1066 -18.1066 -18.1032 -18.1032 -18.0749 -18.0749 -18.0606 -18.0606 3.5051 3.5051 3.6382 3.6382 4.5125 4.5125 4.9516 4.9516 5.3349 5.3349 5.4697 5.4697 6.3796 6.3796 6.5394 6.5394 7.2620 7.2620 7.4502 7.4502 7.6031 7.6031 8.0968 8.0968 8.9914 8.9914 9.7055 9.7055 10.9150 10.9150 12.0471 12.0471 12.1623 12.1623 k = 0.5000 0.1638 1.3191 ( 5256 PWs) bands (ev): -51.3883 -51.3883 -51.3881 -51.3881 -25.7551 -25.7551 -25.7534 -25.7534 -18.1058 -18.1058 -18.1024 -18.1024 -18.0747 -18.0747 -18.0605 -18.0605 3.3955 3.3955 3.5740 3.5740 4.4861 4.4861 4.9709 4.9709 5.3591 5.3591 5.5419 5.5419 6.3667 6.3667 6.6676 6.6676 7.2640 7.2640 7.4665 7.4665 7.5974 7.5974 8.0732 8.0732 9.0100 9.0100 9.7745 9.7745 11.0145 11.0145 11.9909 11.9909 12.1679 12.1679 k = 0.5000 0.1638 1.2904 ( 5252 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7549 -25.7549 -25.7532 -25.7532 -18.1050 -18.1050 -18.1016 -18.1016 -18.0746 -18.0746 -18.0604 -18.0604 3.2857 3.2857 3.4997 3.4997 4.4731 4.4731 4.9927 4.9927 5.3859 5.3859 5.6114 5.6114 6.3513 6.3513 6.7931 6.7931 7.2554 7.2554 7.4739 7.4739 7.5968 7.5968 8.0767 8.0767 9.0308 9.0308 9.8476 9.8476 11.1147 11.1147 11.9377 11.9377 12.1670 12.1670 k = 0.5000 0.1638 1.2617 ( 5252 PWs) bands (ev): -51.3884 -51.3884 -51.3881 -51.3881 -25.7547 -25.7547 -25.7530 -25.7530 -18.1041 -18.1041 -18.1007 -18.1007 -18.0744 -18.0744 -18.0603 -18.0603 3.1763 3.1763 3.4171 3.4171 4.4715 4.4715 5.0167 5.0167 5.4152 5.4152 5.6778 5.6778 6.3336 6.3336 6.9126 6.9126 7.2432 7.2432 7.4695 7.4695 7.5968 7.5968 8.1121 8.1121 9.0535 9.0535 9.9245 9.9245 11.2140 11.2140 11.8892 11.8892 12.1549 12.1549 k = 0.5000 0.1638 1.2331 ( 5260 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7545 -25.7545 -25.7529 -25.7529 -18.1032 -18.1032 -18.0998 -18.0998 -18.0743 -18.0743 -18.0602 -18.0602 3.0674 3.0674 3.3284 3.3284 4.4795 4.4795 5.0429 5.0429 5.4472 5.4472 5.7406 5.7406 6.3136 6.3136 7.0173 7.0173 7.2360 7.2360 7.4586 7.4586 7.5961 7.5961 8.1765 8.1765 9.0784 9.0784 10.0049 10.0049 11.3098 11.3098 11.8476 11.8476 12.1218 12.1218 k = 0.5000 0.1638 1.2044 ( 5256 PWs) bands (ev): -51.3884 -51.3884 -51.3882 -51.3882 -25.7543 -25.7543 -25.7526 -25.7526 -18.1022 -18.1022 -18.0989 -18.0989 -18.0741 -18.0741 -18.0600 -18.0600 2.9594 2.9594 3.2353 3.2353 4.4953 4.4953 5.0712 5.0712 5.4818 5.4818 5.7990 5.7990 6.2914 6.2914 7.0859 7.0859 7.2484 7.2484 7.4531 7.4531 7.5977 7.5977 8.2628 8.2628 9.1053 9.1053 10.0885 10.0885 11.3986 11.3986 11.8162 11.8162 12.0711 12.0711 k = 0.5000 0.1638 1.1757 ( 5256 PWs) bands (ev): -51.3885 -51.3885 -51.3882 -51.3882 -25.7541 -25.7541 -25.7524 -25.7524 -18.1011 -18.1011 -18.0978 -18.0978 -18.0740 -18.0740 -18.0598 -18.0598 2.8524 2.8524 3.1393 3.1393 4.5171 4.5171 5.1015 5.1015 5.5190 5.5190 5.8519 5.8519 6.2673 6.2673 7.1047 7.1047 7.2752 7.2752 7.4748 7.4748 7.6067 7.6067 8.3640 8.3640 9.1342 9.1342 10.1753 10.1753 11.4736 11.4736 11.8010 11.8010 12.0157 12.0157 k = 0.5000 0.1638 1.1470 ( 5260 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7538 -25.7538 -25.7522 -25.7522 -18.1000 -18.1000 -18.0967 -18.0967 -18.0738 -18.0738 -18.0597 -18.0597 2.7467 2.7467 3.0415 3.0415 4.5437 4.5437 5.1339 5.1339 5.5588 5.5588 5.8979 5.8979 6.2416 6.2416 7.0988 7.0988 7.2824 7.2824 7.5248 7.5248 7.6372 7.6372 8.4751 8.4751 9.1651 9.1651 10.2649 10.2649 11.5255 11.5255 11.8095 11.8095 11.9612 11.9612 k = 0.5000 0.1638 1.1184 ( 5264 PWs) bands (ev): -51.3885 -51.3885 -51.3883 -51.3883 -25.7536 -25.7536 -25.7520 -25.7520 -18.0989 -18.0989 -18.0955 -18.0955 -18.0736 -18.0736 -18.0595 -18.0595 2.6424 2.6424 2.9428 2.9428 4.5739 4.5739 5.1683 5.1683 5.6012 5.6012 5.9353 5.9353 6.2149 6.2149 7.0884 7.0884 7.2745 7.2745 7.5598 7.5598 7.7125 7.7125 8.5925 8.5925 9.1980 9.1980 10.3573 10.3573 11.5503 11.5503 11.8343 11.8343 11.9193 11.9193 k = 0.5000 0.1638 1.0897 ( 5266 PWs) bands (ev): -51.3886 -51.3886 -51.3883 -51.3883 -25.7534 -25.7534 -25.7517 -25.7517 -18.0976 -18.0976 -18.0943 -18.0943 -18.0734 -18.0734 -18.0593 -18.0593 2.5396 2.5396 2.8440 2.8440 4.6068 4.6068 5.2046 5.2046 5.6461 5.6461 5.9620 5.9620 6.1879 6.1879 7.0817 7.0817 7.2646 7.2646 7.5764 7.5764 7.8185 7.8185 8.7135 8.7135 9.2329 9.2329 10.4521 10.4521 11.5574 11.5574 11.8155 11.8155 11.9383 11.9383 k = 0.5000 0.1638 1.0610 ( 5270 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7531 -25.7531 -25.7514 -25.7514 -18.0963 -18.0963 -18.0931 -18.0931 -18.0732 -18.0732 -18.0591 -18.0591 2.4384 2.4384 2.7454 2.7454 4.6412 4.6412 5.2428 5.2428 5.6937 5.6937 5.9765 5.9765 6.1615 6.1615 7.0835 7.0835 7.2579 7.2579 7.5878 7.5878 7.9350 7.9350 8.8360 8.8360 9.2699 9.2699 10.5494 10.5494 11.5588 11.5588 11.7627 11.7627 11.9559 11.9559 k = 0.5000 0.1638 1.0323 ( 5268 PWs) bands (ev): -51.3886 -51.3886 -51.3884 -51.3884 -25.7528 -25.7528 -25.7512 -25.7512 -18.0950 -18.0950 -18.0917 -18.0917 -18.0730 -18.0730 -18.0589 -18.0589 2.3390 2.3390 2.6476 2.6476 4.6763 4.6763 5.2829 5.2829 5.7438 5.7438 5.9777 5.9777 6.1367 6.1367 7.0967 7.0967 7.2561 7.2561 7.5983 7.5983 8.0549 8.0549 8.9581 8.9581 9.3088 9.3088 10.6487 10.6487 11.5618 11.5618 11.7041 11.7041 11.9137 11.9137 k = 0.5000 0.1638 1.0037 ( 5280 PWs) bands (ev): -51.3887 -51.3887 -51.3884 -51.3884 -25.7526 -25.7526 -25.7509 -25.7509 -18.0937 -18.0937 -18.0905 -18.0905 -18.0728 -18.0728 -18.0587 -18.0587 2.2415 2.2415 2.5508 2.5508 4.7110 4.7110 5.3247 5.3247 5.7965 5.7965 5.9655 5.9655 6.1146 6.1146 7.1221 7.1221 7.2600 7.2600 7.6089 7.6089 8.1756 8.1756 9.0781 9.0781 9.3498 9.3498 10.7497 10.7497 11.5688 11.5688 11.6456 11.6456 11.8640 11.8640 k = 0.5000 0.1638 0.9750 ( 5284 PWs) bands (ev): -51.3887 -51.3887 -51.3885 -51.3885 -25.7524 -25.7524 -25.7506 -25.7506 -18.0923 -18.0923 -18.0891 -18.0891 -18.0726 -18.0726 -18.0584 -18.0584 2.1459 2.1459 2.4553 2.4553 4.7444 4.7444 5.3684 5.3684 5.8516 5.8516 5.9410 5.9410 6.0966 6.0966 7.1584 7.1584 7.2710 7.2710 7.6202 7.6202 8.2959 8.2959 9.1943 9.1943 9.3929 9.3929 10.8521 10.8521 11.5607 11.5607 11.6093 11.6093 11.8116 11.8116 k = 0.5000 0.1638 0.9463 ( 5284 PWs) bands (ev): -51.3888 -51.3888 -51.3885 -51.3885 -25.7521 -25.7521 -25.7503 -25.7503 -18.0908 -18.0908 -18.0877 -18.0877 -18.0724 -18.0724 -18.0582 -18.0582 2.0523 2.0523 2.3614 2.3614 4.7753 4.7753 5.4136 5.4136 5.9059 5.9059 5.9093 5.9093 6.0840 6.0840 7.2002 7.2002 7.2931 7.2931 7.6322 7.6322 8.4151 8.4151 9.3049 9.3049 9.4383 9.4383 10.9551 10.9551 11.5060 11.5060 11.6288 11.6288 11.7576 11.7576 k = 0.5000 0.1638 0.9176 ( 5284 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7518 -25.7518 -25.7500 -25.7500 -18.0893 -18.0893 -18.0862 -18.0862 -18.0721 -18.0721 -18.0580 -18.0580 1.9609 1.9609 2.2691 2.2691 4.8026 4.8026 5.4602 5.4602 5.8627 5.8627 5.9695 5.9695 6.0782 6.0782 7.2376 7.2376 7.3345 7.3345 7.6451 7.6451 8.5327 8.5327 9.4075 9.4075 9.4870 9.4870 11.0573 11.0573 11.4425 11.4425 11.6675 11.6675 11.7034 11.7034 k = 0.5000 0.1638 0.8889 ( 5286 PWs) bands (ev): -51.3888 -51.3888 -51.3886 -51.3886 -25.7515 -25.7515 -25.7497 -25.7497 -18.0878 -18.0878 -18.0848 -18.0848 -18.0719 -18.0719 -18.0577 -18.0577 1.8716 1.8716 2.1787 2.1787 4.8254 4.8254 5.5078 5.5078 5.8137 5.8137 6.0320 6.0320 6.0803 6.0803 7.2661 7.2661 7.3977 7.3977 7.6589 7.6589 8.6484 8.6484 9.4970 9.4970 9.5429 9.5429 11.1548 11.1548 11.3805 11.3805 11.6458 11.6458 11.7231 11.7231 k = 0.5000 0.1638 0.8603 ( 5294 PWs) bands (ev): -51.3889 -51.3889 -51.3886 -51.3886 -25.7512 -25.7512 -25.7494 -25.7494 -18.0863 -18.0863 -18.0833 -18.0833 -18.0717 -18.0717 -18.0575 -18.0575 1.7846 1.7846 2.0903 2.0903 4.8428 4.8428 5.5550 5.5550 5.7621 5.7621 6.0893 6.0893 6.0988 6.0988 7.2904 7.2904 7.4762 7.4762 7.6739 7.6739 8.7617 8.7617 9.5650 9.5650 9.6136 9.6136 11.2228 11.2228 11.3439 11.3439 11.5914 11.5914 11.7898 11.7898 k = 0.5000 0.1638 0.8316 ( 5306 PWs) bands (ev): -51.3889 -51.3889 -51.3887 -51.3887 -25.7509 -25.7509 -25.7492 -25.7492 -18.0848 -18.0848 -18.0818 -18.0818 -18.0715 -18.0715 -18.0573 -18.0573 1.6998 1.6998 2.0040 2.0040 4.8542 4.8542 5.5965 5.5965 5.7148 5.7148 6.1110 6.1110 6.1650 6.1650 7.3143 7.3143 7.5643 7.5643 7.6905 7.6905 8.8725 8.8725 9.6210 9.6210 9.6890 9.6890 11.1958 11.1958 11.3936 11.3936 11.5422 11.5422 11.8695 11.8695 k = 0.5000 0.1638 0.8029 ( 5298 PWs) bands (ev): -51.3890 -51.3890 -51.3887 -51.3887 -25.7506 -25.7506 -25.7488 -25.7488 -18.0833 -18.0833 -18.0803 -18.0803 -18.0712 -18.0712 -18.0570 -18.0570 1.6175 1.6175 1.9198 1.9198 4.8595 4.8595 5.6023 5.6023 5.7027 5.7027 6.1414 6.1414 6.2346 6.2346 7.3393 7.3393 7.6560 7.6560 7.7121 7.7121 8.9803 8.9803 9.6749 9.6749 9.7592 9.7592 11.1279 11.1279 11.4371 11.4371 11.5363 11.5363 11.9608 11.9608 k = 0.5000 0.1638 0.7742 ( 5298 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7503 -25.7503 -25.7484 -25.7484 -18.0817 -18.0817 -18.0788 -18.0788 -18.0709 -18.0709 -18.0567 -18.0567 1.5376 1.5376 1.8380 1.8380 4.8586 4.8586 5.5585 5.5585 5.7407 5.7407 6.1817 6.1817 6.3066 6.3066 7.3657 7.3657 7.7126 7.7126 7.7760 7.7760 9.0846 9.0846 9.7291 9.7291 9.8223 9.8223 11.0512 11.0512 11.4018 11.4018 11.6136 11.6136 12.0614 12.0614 k = 0.5000 0.1638 0.7456 ( 5290 PWs) bands (ev): -51.3890 -51.3890 -51.3888 -51.3888 -25.7499 -25.7499 -25.7481 -25.7481 -18.0801 -18.0801 -18.0772 -18.0772 -18.0706 -18.0706 -18.0564 -18.0564 1.4601 1.4601 1.7586 1.7586 4.8521 4.8521 5.5018 5.5018 5.7929 5.7929 6.2315 6.2315 6.3808 6.3808 7.3938 7.3938 7.7351 7.7351 7.8803 7.8803 9.1849 9.1849 9.7838 9.7838 9.8786 9.8786 10.9702 10.9702 11.3509 11.3509 11.7061 11.7061 12.1670 12.1670 k = 0.5000 0.1638 0.7169 ( 5278 PWs) bands (ev): -51.3891 -51.3891 -51.3888 -51.3888 -25.7496 -25.7496 -25.7477 -25.7477 -18.0785 -18.0785 -18.0756 -18.0756 -18.0703 -18.0703 -18.0561 -18.0561 1.3852 1.3852 1.6816 1.6816 4.8406 4.8406 5.4426 5.4426 5.8495 5.8495 6.2902 6.2902 6.4572 6.4572 7.4235 7.4235 7.7549 7.7549 7.9928 7.9928 9.2807 9.2807 9.8391 9.8391 9.9290 9.9290 10.8861 10.8861 11.2990 11.2990 11.7978 11.7978 12.2696 12.2696 k = 0.5000 0.1638 0.6882 ( 5276 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7492 -25.7492 -25.7474 -25.7474 -18.0770 -18.0770 -18.0741 -18.0741 -18.0700 -18.0700 -18.0558 -18.0558 1.3128 1.3128 1.6071 1.6071 4.8249 4.8249 5.3831 5.3831 5.9086 5.9086 6.3569 6.3569 6.5356 6.5356 7.4549 7.4549 7.7749 7.7749 8.1102 8.1102 9.3712 9.3712 9.8944 9.8944 9.9749 9.9749 10.7992 10.7992 11.2486 11.2486 11.8851 11.8851 12.3425 12.3425 k = 0.5000 0.1638 0.6595 ( 5270 PWs) bands (ev): -51.3891 -51.3891 -51.3889 -51.3889 -25.7489 -25.7489 -25.7470 -25.7470 -18.0755 -18.0755 -18.0726 -18.0726 -18.0697 -18.0697 -18.0555 -18.0555 1.2430 1.2430 1.5352 1.5352 4.8059 4.8059 5.3244 5.3244 5.9696 5.9696 6.4309 6.4309 6.6160 6.6160 7.4878 7.4878 7.7954 7.7954 8.2317 8.2317 9.4554 9.4554 9.9491 9.9491 10.0180 10.0180 10.7100 10.7100 11.2011 11.2011 11.9661 11.9661 12.3357 12.3357 k = 0.5000 0.1638 0.6309 ( 5268 PWs) bands (ev): -51.3892 -51.3892 -51.3889 -51.3889 -25.7486 -25.7486 -25.7467 -25.7467 -18.0740 -18.0740 -18.0711 -18.0711 -18.0694 -18.0694 -18.0552 -18.0552 1.1759 1.1759 1.4660 1.4660 4.7841 4.7841 5.2667 5.2667 6.0324 6.0324 6.5114 6.5114 6.6983 6.6983 7.5223 7.5223 7.8165 7.8165 8.3567 8.3567 9.5323 9.5323 10.0015 10.0015 10.0605 10.0605 10.6189 10.6189 11.1576 11.1576 12.0387 12.0387 12.2943 12.2943 k = 0.5000 0.1638 0.6022 ( 5270 PWs) bands (ev): -51.3892 -51.3892 -51.3890 -51.3890 -25.7483 -25.7483 -25.7464 -25.7464 -18.0725 -18.0725 -18.0697 -18.0697 -18.0692 -18.0692 -18.0550 -18.0550 1.1115 1.1115 1.3994 1.3994 4.7605 4.7605 5.2106 5.2106 6.0968 6.0968 6.5976 6.5976 6.7823 6.7823 7.5581 7.5581 7.8382 7.8382 8.4849 8.4849 9.6005 9.6005 10.0493 10.0493 10.1052 10.1052 10.5265 10.5265 11.1192 11.1192 12.0991 12.0991 12.2454 12.2454 k = 0.5000 0.1638 0.5735 ( 5274 PWs) bands (ev): -51.3893 -51.3893 -51.3890 -51.3890 -25.7481 -25.7481 -25.7461 -25.7461 -18.0711 -18.0711 -18.0689 -18.0689 -18.0682 -18.0682 -18.0547 -18.0547 1.0498 1.0498 1.3356 1.3356 4.7356 4.7356 5.1562 5.1562 6.1627 6.1627 6.6888 6.6888 6.8679 6.8679 7.5951 7.5951 7.8605 7.8605 8.6159 8.6159 9.6588 9.6588 10.0910 10.0910 10.1529 10.1529 10.4346 10.4346 11.0874 11.0874 12.1320 12.1320 12.2070 12.2070 k = 0.5000 0.1638 0.5448 ( 5278 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7479 -25.7479 -25.7458 -25.7458 -18.0699 -18.0699 -18.0684 -18.0684 -18.0669 -18.0669 -18.0545 -18.0545 0.9909 0.9909 1.2746 1.2746 4.7098 4.7098 5.1038 5.1038 6.2301 6.2301 6.7845 6.7845 6.9549 6.9549 7.6334 7.6334 7.8833 7.8833 8.7494 8.7494 9.7058 9.7058 10.1274 10.1274 10.1967 10.1967 10.3497 10.3497 11.0634 11.0634 12.1006 12.1006 12.2145 12.2145 k = 0.5000 0.1638 0.5162 ( 5282 PWs) bands (ev): -51.3893 -51.3893 -51.3891 -51.3891 -25.7476 -25.7476 -25.7455 -25.7455 -18.0692 -18.0692 -18.0676 -18.0676 -18.0655 -18.0655 -18.0543 -18.0543 0.9348 0.9348 1.2165 1.2165 4.6838 4.6838 5.0535 5.0535 6.2987 6.2987 6.8841 6.8841 7.0432 7.0432 7.6726 7.6726 7.9065 7.9065 8.8850 8.8850 9.7403 9.7403 10.1567 10.1567 10.1978 10.1978 10.3130 10.3130 11.0483 11.0483 12.0416 12.0416 12.2272 12.2272 k = 0.5000 0.1638 0.4875 ( 5290 PWs) bands (ev): -51.3894 -51.3894 -51.3891 -51.3891 -25.7474 -25.7474 -25.7453 -25.7453 -18.0688 -18.0688 -18.0664 -18.0664 -18.0642 -18.0642 -18.0540 -18.0540 0.8816 0.8816 1.1613 1.1613 4.6578 4.6578 5.0054 5.0054 6.3685 6.3685 6.9871 6.9871 7.1325 7.1325 7.7128 7.7128 7.9301 7.9301 9.0222 9.0222 9.7614 9.7614 10.1107 10.1107 10.2003 10.2003 10.3495 10.3495 11.0430 11.0430 11.9771 11.9771 12.2170 12.2170 k = 0.5000 0.1638 0.4588 ( 5286 PWs) bands (ev): -51.3894 -51.3894 -51.3892 -51.3892 -25.7471 -25.7471 -25.7450 -25.7450 -18.0685 -18.0685 -18.0652 -18.0652 -18.0630 -18.0630 -18.0538 -18.0538 0.8312 0.8312 1.1090 1.1090 4.6322 4.6322 4.9597 4.9597 6.4394 6.4394 7.0930 7.0930 7.2226 7.2226 7.7537 7.7537 7.9539 7.9539 9.1604 9.1604 9.7686 9.7686 10.0199 10.0199 10.2313 10.2313 10.4024 10.4024 11.0473 11.0473 11.9106 11.9106 12.1812 12.1812 k = 0.5000 0.1638 0.4301 ( 5294 PWs) bands (ev): -51.3894 -51.3894 -51.3892 -51.3892 -25.7468 -25.7468 -25.7448 -25.7448 -18.0682 -18.0682 -18.0640 -18.0640 -18.0617 -18.0617 -18.0536 -18.0536 0.7837 0.7837 1.0597 1.0597 4.6073 4.6073 4.9164 4.9164 6.5111 6.5111 7.2016 7.2016 7.3132 7.3132 7.7950 7.7950 7.9778 7.9778 9.2989 9.2989 9.7610 9.7610 9.9267 9.9267 10.2642 10.2642 10.4579 10.4579 11.0607 11.0607 11.8433 11.8433 12.1295 12.1295 k = 0.5000 0.1638 0.4015 ( 5294 PWs) bands (ev): -51.3895 -51.3895 -51.3892 -51.3892 -25.7467 -25.7467 -25.7445 -25.7445 -18.0680 -18.0680 -18.0628 -18.0628 -18.0606 -18.0606 -18.0534 -18.0534 0.7391 0.7391 1.0134 1.0134 4.5832 4.5832 4.8756 4.8756 6.5836 6.5836 7.3122 7.3122 7.4040 7.4040 7.8367 7.8367 8.0019 8.0019 9.4360 9.4360 9.7358 9.7358 9.8394 9.8394 10.2988 10.2988 10.5133 10.5133 11.0818 11.0818 11.7758 11.7758 12.0716 12.0716 k = 0.5000 0.1638 0.3728 ( 5290 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7464 -25.7464 -25.7443 -25.7443 -18.0678 -18.0678 -18.0617 -18.0617 -18.0595 -18.0595 -18.0532 -18.0532 0.6975 0.6975 0.9701 0.9701 4.5602 4.5602 4.8374 4.8374 6.6565 6.6565 7.4246 7.4246 7.4945 7.4945 7.8783 7.8783 8.0259 8.0259 9.5646 9.5646 9.6880 9.6880 9.7716 9.7716 10.3361 10.3361 10.5674 10.5674 11.1085 11.1085 11.7087 11.7087 12.0121 12.0121 k = 0.5000 0.1638 0.3441 ( 5292 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7462 -25.7462 -25.7441 -25.7441 -18.0676 -18.0676 -18.0606 -18.0606 -18.0584 -18.0584 -18.0530 -18.0530 0.6589 0.6589 0.9300 0.9300 4.5384 4.5384 4.8018 4.8018 6.7297 6.7297 7.5381 7.5381 7.5844 7.5844 7.9195 7.9195 8.0498 8.0498 9.5851 9.5851 9.6884 9.6884 9.7532 9.7532 10.3771 10.3771 10.6195 10.6195 11.1386 11.1386 11.6424 11.6424 11.9531 11.9531 k = 0.5000 0.1638 0.3154 ( 5292 PWs) bands (ev): -51.3895 -51.3895 -51.3893 -51.3893 -25.7460 -25.7460 -25.7439 -25.7439 -18.0674 -18.0674 -18.0597 -18.0597 -18.0574 -18.0574 -18.0528 -18.0528 0.6233 0.6233 0.8929 0.8929 4.5180 4.5180 4.7689 4.7689 6.8027 6.8027 7.6516 7.6516 7.6739 7.6739 7.9599 7.9599 8.0737 8.0737 9.5013 9.5013 9.6574 9.6574 9.8601 9.8601 10.4233 10.4233 10.6690 10.6690 11.1700 11.1700 11.5774 11.5774 11.8949 11.8949 k = 0.5000 0.1638 0.2868 ( 5290 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7458 -25.7458 -25.7437 -25.7437 -18.0672 -18.0672 -18.0588 -18.0588 -18.0565 -18.0565 -18.0527 -18.0527 0.5907 0.5907 0.8590 0.8590 4.4991 4.4991 4.7388 4.7388 6.8752 6.8752 7.7544 7.7544 7.7725 7.7725 7.9987 7.9987 8.0976 8.0976 9.4111 9.4111 9.6070 9.6070 9.9823 9.9823 10.4763 10.4763 10.7154 10.7154 11.2001 11.2001 11.5145 11.5145 11.8360 11.8360 k = 0.5000 0.1638 0.2581 ( 5296 PWs) bands (ev): -51.3896 -51.3896 -51.3893 -51.3893 -25.7456 -25.7456 -25.7436 -25.7436 -18.0671 -18.0671 -18.0580 -18.0580 -18.0557 -18.0557 -18.0525 -18.0525 0.5611 0.5611 0.8282 0.8282 4.4817 4.4817 4.7114 4.7114 6.9466 6.9466 7.8394 7.8394 7.8857 7.8857 8.0353 8.0353 8.1217 8.1217 9.3217 9.3217 9.5509 9.5509 10.0973 10.0973 10.5384 10.5384 10.7581 10.7581 11.2263 11.2263 11.4546 11.4546 11.7694 11.7694 k = 0.5000 0.1638 0.2294 ( 5292 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7454 -25.7454 -25.7435 -25.7435 -18.0669 -18.0669 -18.0573 -18.0573 -18.0549 -18.0549 -18.0524 -18.0524 0.5347 0.5347 0.8006 0.8006 4.4659 4.4659 4.6868 4.6868 7.0163 7.0163 7.9187 7.9187 7.9999 7.9999 8.0688 8.0688 8.1466 8.1466 9.2353 9.2353 9.4904 9.4904 10.2004 10.2004 10.6109 10.6109 10.7973 10.7973 11.2452 11.2452 11.3991 11.3991 11.6686 11.6686 k = 0.5000 0.1638 0.2007 ( 5292 PWs) bands (ev): -51.3896 -51.3896 -51.3894 -51.3894 -25.7452 -25.7452 -25.7434 -25.7434 -18.0668 -18.0668 -18.0566 -18.0566 -18.0542 -18.0542 -18.0523 -18.0523 0.5112 0.5112 0.7762 0.7762 4.4519 4.4519 4.6650 4.6650 7.0833 7.0833 7.9922 7.9922 8.0965 8.0965 8.1145 8.1145 8.1729 8.1729 9.1533 9.1533 9.4261 9.4261 10.2893 10.2893 10.6918 10.6918 10.8336 10.8336 11.2522 11.2522 11.3507 11.3507 11.5620 11.5620 k = 0.5000 0.1638 0.1721 ( 5288 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7451 -25.7451 -25.7432 -25.7432 -18.0667 -18.0667 -18.0560 -18.0560 -18.0536 -18.0536 -18.0522 -18.0522 0.4909 0.4909 0.7550 0.7550 4.4396 4.4396 4.6461 4.6461 7.1467 7.1467 8.0581 8.0581 8.1229 8.1229 8.1955 8.1955 8.2291 8.2291 9.0773 9.0773 9.3583 9.3583 10.3646 10.3646 10.7715 10.7715 10.8722 10.8722 11.2441 11.2441 11.3116 11.3116 11.4641 11.4641 k = 0.5000 0.1638 0.1434 ( 5288 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7450 -25.7450 -25.7431 -25.7431 -18.0666 -18.0666 -18.0555 -18.0555 -18.0531 -18.0531 -18.0521 -18.0521 0.4737 0.4737 0.7371 0.7371 4.4292 4.4292 4.6301 4.6301 7.2050 7.2050 8.1124 8.1124 8.1471 8.1471 8.2232 8.2232 8.3372 8.3372 9.0090 9.0090 9.2874 9.2874 10.4288 10.4288 10.8275 10.8275 10.9248 10.9248 11.2283 11.2283 11.2791 11.2791 11.3773 11.3773 k = 0.5000 0.1638 0.1147 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7449 -25.7449 -25.7431 -25.7431 -18.0665 -18.0665 -18.0551 -18.0551 -18.0526 -18.0526 -18.0520 -18.0520 0.4596 0.4596 0.7224 0.7224 4.4206 4.4206 4.6170 4.6170 7.2568 7.2568 8.1449 8.1449 8.1787 8.1787 8.2483 8.2483 8.4432 8.4432 8.9502 8.9502 9.2136 9.2136 10.4841 10.4841 10.8526 10.8526 10.9804 10.9804 11.2153 11.2153 11.2622 11.2622 11.3033 11.3033 k = 0.5000 0.1638 0.0860 ( 5276 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0548 -18.0548 -18.0523 -18.0523 -18.0519 -18.0519 0.4486 0.4486 0.7109 0.7109 4.4139 4.4139 4.6067 4.6067 7.3001 7.3001 8.1605 8.1605 8.2120 8.2120 8.2710 8.2710 8.5445 8.5445 8.9033 8.9033 9.1374 9.1374 10.5317 10.5317 10.8600 10.8600 11.0085 11.0085 11.1893 11.1893 11.2436 11.2436 11.2997 11.2997 k = 0.5000 0.1638 0.0574 ( 5288 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0546 -18.0546 -18.0521 -18.0521 -18.0519 -18.0519 0.4408 0.4408 0.7027 0.7027 4.4091 4.4091 4.5994 4.5994 7.3329 7.3329 8.1698 8.1698 8.2362 8.2362 8.2897 8.2897 8.6375 8.6375 8.8717 8.8717 9.0597 9.0597 10.5706 10.5706 10.8573 10.8573 11.0127 11.0127 11.1621 11.1621 11.1998 11.1998 11.3760 11.3760 k = 0.5000 0.1638 0.0287 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0545 -18.0545 -18.0519 -18.0519 -18.0518 -18.0518 0.4361 0.4361 0.6978 0.6978 4.4062 4.4062 4.5950 4.5950 7.3535 7.3535 8.1751 8.1751 8.2502 8.2502 8.3021 8.3021 8.7117 8.7117 8.8624 8.8624 8.9849 8.9849 10.5974 10.5974 10.8505 10.8505 11.0101 11.0101 11.1438 11.1438 11.1730 11.1730 11.4619 11.4619 k = 0.5000 0.1638-0.0000 ( 5284 PWs) bands (ev): -51.3897 -51.3897 -51.3894 -51.3894 -25.7447 -25.7447 -25.7430 -25.7430 -18.0664 -18.0664 -18.0544 -18.0544 -18.0519 -18.0519 -18.0518 -18.0518 0.4345 0.4345 0.6962 0.6962 4.4052 4.4052 4.5936 4.5936 7.3605 7.3605 8.1768 8.1768 8.2548 8.2548 8.3065 8.3065 8.7415 8.7415 8.8750 8.8750 8.9391 8.9391 10.6073 10.6073 10.8469 10.8469 11.0086 11.0086 11.1375 11.1375 11.1640 11.1640 11.5135 11.5135 k = 0.0000 0.0000 1.6060 ( 5244 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1097 -18.1097 -18.1063 -18.1063 -18.0753 -18.0753 -18.0611 -18.0611 3.8167 3.8167 4.2628 4.2628 4.8384 4.8384 4.8848 4.8848 5.1571 5.1571 5.2758 5.2758 5.5231 5.5231 6.4304 6.4304 7.0101 7.0101 7.4290 7.4290 7.7451 7.7451 8.4549 8.4549 8.9180 8.9180 9.3672 9.3672 10.3491 10.3491 12.0606 12.0606 12.4495 12.4495 k = 0.0250 0.0082 1.6060 ( 5252 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7559 -25.7559 -25.7541 -25.7541 -18.1097 -18.1097 -18.1064 -18.1064 -18.0753 -18.0753 -18.0611 -18.0611 3.8169 3.8169 4.2622 4.2622 4.8384 4.8384 4.8847 4.8847 5.1572 5.1572 5.2757 5.2757 5.5268 5.5268 6.4175 6.4175 7.0226 7.0226 7.4308 7.4308 7.7428 7.7428 8.4584 8.4584 8.9157 8.9157 9.3506 9.3506 10.3694 10.3694 12.0545 12.0545 12.4477 12.4477 k = 0.0500 0.0164 1.6060 ( 5260 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7560 -25.7560 -25.7542 -25.7542 -18.1098 -18.1098 -18.1064 -18.1064 -18.0754 -18.0754 -18.0611 -18.0611 3.8175 3.8175 4.2604 4.2604 4.8384 4.8384 4.8845 4.8845 5.1574 5.1574 5.2755 5.2755 5.5379 5.5379 6.3821 6.3821 7.0566 7.0566 7.4365 7.4365 7.7360 7.7360 8.4687 8.4687 8.9088 8.9088 9.3046 9.3046 10.4262 10.4262 12.0359 12.0359 12.4428 12.4428 k = 0.0750 0.0246 1.6060 ( 5262 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7560 -25.7560 -25.7542 -25.7542 -18.1098 -18.1098 -18.1064 -18.1064 -18.0754 -18.0754 -18.0612 -18.0612 3.8184 3.8184 4.2576 4.2576 4.8384 4.8384 4.8842 4.8842 5.1578 5.1578 5.2752 5.2752 5.5561 5.5561 6.3311 6.3311 7.1041 7.1041 7.4463 7.4463 7.7255 7.7255 8.4850 8.4850 8.8975 8.8975 9.2388 9.2388 10.5107 10.5107 12.0035 12.0035 12.4353 12.4353 k = 0.1000 0.0328 1.6060 ( 5264 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7560 -25.7560 -25.7542 -25.7542 -18.1098 -18.1098 -18.1063 -18.1063 -18.0754 -18.0754 -18.0612 -18.0612 3.8195 3.8195 4.2542 4.2542 4.8384 4.8384 4.8839 4.8839 5.1582 5.1582 5.2747 5.2747 5.5810 5.5810 6.2710 6.2710 7.1573 7.1573 7.4606 7.4606 7.7120 7.7120 8.5066 8.5066 8.8822 8.8822 9.1623 9.1623 10.6140 10.6140 11.9560 11.9560 12.4264 12.4264 k = 0.1250 0.0410 1.6060 ( 5268 PWs) bands (ev): -51.3882 -51.3882 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1098 -18.1098 -18.1064 -18.1064 -18.0754 -18.0754 -18.0612 -18.0612 3.8208 3.8208 4.2503 4.2503 4.8385 4.8385 4.8835 4.8835 5.1587 5.1587 5.2742 5.2742 5.6121 5.6121 6.2065 6.2065 7.2095 7.2095 7.4799 7.4799 7.6967 7.6967 8.5322 8.5322 8.8634 8.8634 9.0831 9.0831 10.7296 10.7296 11.8926 11.8926 12.4172 12.4172 k = 0.1500 0.0491 1.6060 ( 5272 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1098 -18.1098 -18.1064 -18.1064 -18.0754 -18.0754 -18.0612 -18.0612 3.8221 3.8221 4.2465 4.2465 4.8385 4.8385 4.8831 4.8831 5.1593 5.1593 5.2737 5.2737 5.6487 5.6487 6.1407 6.1407 7.2556 7.2556 7.5042 7.5042 7.6806 7.6806 8.5606 8.5606 8.8419 8.8419 9.0071 9.0071 10.8528 10.8528 11.8136 11.8136 12.4089 12.4089 k = 0.1750 0.0573 1.6060 ( 5282 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0754 -18.0754 -18.0613 -18.0613 3.8232 3.8232 4.2430 4.2430 4.8386 4.8386 4.8827 4.8827 5.1597 5.1597 5.2732 5.2732 5.6895 5.6895 6.0762 6.0762 7.2921 7.2921 7.5319 7.5319 7.6649 7.6649 8.5903 8.5903 8.8188 8.8188 8.9395 8.9395 10.9800 10.9800 11.7205 11.7205 12.4021 12.4021 k = 0.2000 0.0655 1.6060 ( 5272 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0753 -18.0753 -18.0612 -18.0612 3.8242 3.8242 4.2403 4.2403 4.8386 4.8386 4.8825 4.8825 5.1601 5.1601 5.2728 5.2728 5.7324 5.7324 6.0160 6.0160 7.3178 7.3178 7.5597 7.5597 7.6502 7.6502 8.6192 8.6192 8.7960 8.7960 8.8854 8.8854 11.1082 11.1082 11.6161 11.6161 12.3972 12.3972 k = 0.2250 0.0737 1.6060 ( 5272 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0753 -18.0753 -18.0612 -18.0612 3.8248 3.8248 4.2386 4.2386 4.8386 4.8386 4.8823 4.8823 5.1604 5.1604 5.2726 5.2726 5.7717 5.7717 5.9661 5.9661 7.3329 7.3329 7.5825 7.5825 7.6376 7.6376 8.6430 8.6430 8.7768 8.7768 8.8497 8.8497 11.2324 11.2324 11.5059 11.5059 12.3943 12.3943 k = 0.2500 0.0819 1.6060 ( 5276 PWs) bands (ev): -51.3883 -51.3883 -51.3880 -51.3880 -25.7560 -25.7560 -25.7543 -25.7543 -18.1099 -18.1099 -18.1064 -18.1064 -18.0753 -18.0753 -18.0612 -18.0612 3.8250 3.8250 4.2380 4.2380 4.8386 4.8386 4.8822 4.8822 5.1605 5.1605 5.2725 5.2725 5.7906 5.7906 5.9437 5.9437 7.3379 7.3379 7.5927 7.5927 7.6312 7.6312 8.6532 8.6532 8.7683 8.7683 8.8372 8.8372 11.3160 11.3160 11.4268 11.4268 12.3933 12.3933 Writing output data file HfAl3.save init_run : 0.44s CPU 0.59s WALL ( 1 calls) electrons : 513.41s CPU 516.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 513.40s CPU 516.77s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 330 calls) cegterg : 448.74s CPU 451.34s WALL ( 585 calls) Called by sum_band: Called by *egterg: h_psi : 404.41s CPU 406.46s WALL ( 9527 calls) s_psi : 15.02s CPU 14.98s WALL ( 9527 calls) g_psi : 0.31s CPU 0.31s WALL ( 8612 calls) cdiaghg : 62.06s CPU 62.95s WALL ( 8942 calls) cegterg:over : 8.13s CPU 8.14s WALL ( 8612 calls) cegterg:upda : 7.81s CPU 7.85s WALL ( 8612 calls) cegterg:last : 3.70s CPU 3.72s WALL ( 1465 calls) cdiaghg:chol : 3.61s CPU 3.67s WALL ( 8942 calls) cdiaghg:inve : 2.33s CPU 2.32s WALL ( 8942 calls) cdiaghg:para : 3.89s CPU 3.80s WALL ( 17884 calls) Called by h_psi: h_psi:vloc : 375.78s CPU 377.63s WALL ( 9527 calls) h_psi:vnl : 28.36s CPU 28.49s WALL ( 9527 calls) add_vuspsi : 15.48s CPU 15.54s WALL ( 9527 calls) General routines calbec : 12.86s CPU 12.92s WALL ( 9527 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 353.50s CPU 355.57s WALL ( 887856 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.34s WALL ( 660 calls) Parallel routines fft_scatter : 73.32s CPU 73.76s WALL ( 887879 calls) PWSCF : 8m51.92s CPU 9m11.03s WALL This run was terminated on: 18:51:33 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=