Program PWSCF v.5.1.1 starts on 21Jun2016 at 4:30:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnSiP2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 42 11 1632 847 129 Max 65 43 12 1636 871 134 Sum 3113 2033 571 78449 41239 6347 bravais-lattice index = 14 lattice parameter (alat) = 12.2207 a.u. unit-cell volume = 1013.0936 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.220739 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.657800 celldm(5)= -0.657800 celldm(6)= 0.315600 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.315600 0.948892 0.000000 ) a(3) = ( -0.657800 -0.474446 0.584979 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.332598 0.854732 ) b(2) = ( 0.000000 1.053860 0.854732 ) b(3) = ( 0.000000 0.000000 1.709464 ) PseudoPot. # 1 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 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. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) Zn 12.00 65.40900 Zn( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.1577998 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4744462 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2924894 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0000000 0.0203508), wk = 0.0034843 k( 3) = ( 0.0000000 0.0000000 0.0407015), wk = 0.0034843 k( 4) = ( 0.0000000 0.0000000 0.0610523), wk = 0.0034843 k( 5) = ( 0.0000000 0.0000000 0.0814030), wk = 0.0034843 k( 6) = ( 0.0000000 0.0000000 0.1017538), wk = 0.0034843 k( 7) = ( 0.0000000 0.0000000 0.1221045), wk = 0.0034843 k( 8) = ( 0.0000000 0.0000000 0.1424553), wk = 0.0034843 k( 9) = ( 0.0000000 0.0000000 0.1628061), wk = 0.0034843 k( 10) = ( 0.0000000 0.0000000 0.1831568), wk = 0.0034843 k( 11) = ( 0.0000000 0.0000000 0.2035076), wk = 0.0034843 k( 12) = ( 0.0000000 0.0000000 0.2238583), wk = 0.0034843 k( 13) = ( 0.0000000 0.0000000 0.2442091), wk = 0.0034843 k( 14) = ( 0.0000000 0.0000000 0.2645598), wk = 0.0034843 k( 15) = ( 0.0000000 0.0000000 0.2849106), wk = 0.0034843 k( 16) = ( 0.0000000 0.0000000 0.3052614), wk = 0.0034843 k( 17) = ( 0.0000000 0.0000000 0.3256121), wk = 0.0034843 k( 18) = ( 0.0000000 0.0000000 0.3459629), wk = 0.0034843 k( 19) = ( 0.0000000 0.0000000 0.3663136), wk = 0.0034843 k( 20) = ( 0.0000000 0.0000000 0.3866644), wk = 0.0034843 k( 21) = ( 0.0000000 0.0000000 0.4070151), wk = 0.0034843 k( 22) = ( 0.0000000 0.0000000 0.4273659), wk = 0.0034843 k( 23) = ( 0.0000000 0.0000000 0.4477166), wk = 0.0034843 k( 24) = ( 0.0000000 0.0000000 0.4680674), wk = 0.0034843 k( 25) = ( 0.0000000 0.0000000 0.4884182), wk = 0.0034843 k( 26) = ( 0.0000000 0.0000000 0.5087689), wk = 0.0034843 k( 27) = ( 0.0000000 0.0000000 0.5291197), wk = 0.0034843 k( 28) = ( 0.0000000 0.0000000 0.5494704), wk = 0.0034843 k( 29) = ( 0.0000000 0.0000000 0.5698212), wk = 0.0034843 k( 30) = ( 0.0000000 0.0000000 0.5901720), wk = 0.0034843 k( 31) = ( 0.0000000 0.0000000 0.6105227), wk = 0.0034843 k( 32) = ( 0.0000000 0.0000000 0.6308735), wk = 0.0034843 k( 33) = ( 0.0000000 0.0000000 0.6512242), wk = 0.0034843 k( 34) = ( 0.0000000 0.0000000 0.6715750), wk = 0.0034843 k( 35) = ( 0.0000000 0.0000000 0.6919257), wk = 0.0034843 k( 36) = ( 0.0000000 0.0000000 0.7122765), wk = 0.0034843 k( 37) = ( 0.0000000 0.0000000 0.7326272), wk = 0.0034843 k( 38) = ( 0.0000000 0.0000000 0.7529780), wk = 0.0034843 k( 39) = ( 0.0000000 0.0000000 0.7733288), wk = 0.0034843 k( 40) = ( 0.0000000 0.0000000 0.7936795), wk = 0.0034843 k( 41) = ( 0.0000000 0.0000000 0.8140303), wk = 0.0034843 k( 42) = ( 0.0000000 0.0000000 0.8343810), wk = 0.0034843 k( 43) = ( 0.0000000 0.0000000 0.8547318), wk = 0.0034843 k( 44) = ( 0.0000000 0.0000000 0.8547318), wk = 0.0034843 k( 45) = ( -0.0118232 0.0163923 0.8547318), wk = 0.0034843 k( 46) = ( -0.0236463 0.0327847 0.8547318), wk = 0.0034843 k( 47) = ( -0.0354695 0.0491770 0.8547318), wk = 0.0034843 k( 48) = ( -0.0472927 0.0655693 0.8547318), wk = 0.0034843 k( 49) = ( -0.0591158 0.0819616 0.8547318), wk = 0.0034843 k( 50) = ( -0.0709390 0.0983540 0.8547318), wk = 0.0034843 k( 51) = ( -0.0827622 0.1147463 0.8547318), wk = 0.0034843 k( 52) = ( -0.0945853 0.1311386 0.8547318), wk = 0.0034843 k( 53) = ( -0.1064085 0.1475309 0.8547318), wk = 0.0034843 k( 54) = ( -0.1182317 0.1639233 0.8547318), wk = 0.0034843 k( 55) = ( -0.1300549 0.1803156 0.8547318), wk = 0.0034843 k( 56) = ( -0.1300549 0.1803156 0.8547318), wk = 0.0034843 k( 57) = ( -0.1384627 0.1919727 0.8403589), wk = 0.0034843 k( 58) = ( -0.1468705 0.2036298 0.8259860), wk = 0.0034843 k( 59) = ( -0.1552784 0.2152870 0.8116131), wk = 0.0034843 k( 60) = ( -0.1636862 0.2269441 0.7972402), wk = 0.0034843 k( 61) = ( -0.1720941 0.2386012 0.7828673), wk = 0.0034843 k( 62) = ( -0.1805019 0.2502583 0.7684944), wk = 0.0034843 k( 63) = ( -0.1889098 0.2619155 0.7541215), wk = 0.0034843 k( 64) = ( -0.1973176 0.2735726 0.7397486), wk = 0.0034843 k( 65) = ( -0.2057255 0.2852297 0.7253757), wk = 0.0034843 k( 66) = ( -0.2141333 0.2968868 0.7110028), wk = 0.0034843 k( 67) = ( -0.2225411 0.3085440 0.6966299), wk = 0.0034843 k( 68) = ( -0.2309490 0.3202011 0.6822569), wk = 0.0034843 k( 69) = ( -0.2393568 0.3318582 0.6678840), wk = 0.0034843 k( 70) = ( -0.2477647 0.3435153 0.6535111), wk = 0.0034843 k( 71) = ( -0.2561725 0.3551724 0.6391382), wk = 0.0034843 k( 72) = ( -0.2645804 0.3668296 0.6247653), wk = 0.0034843 k( 73) = ( -0.2729882 0.3784867 0.6103924), wk = 0.0034843 k( 74) = ( -0.2813961 0.3901438 0.5960195), wk = 0.0034843 k( 75) = ( -0.2898039 0.4018009 0.5816466), wk = 0.0034843 k( 76) = ( -0.2982117 0.4134580 0.5672737), wk = 0.0034843 k( 77) = ( -0.3066196 0.4251152 0.5529008), wk = 0.0034843 k( 78) = ( -0.3150274 0.4367723 0.5385279), wk = 0.0034843 k( 79) = ( -0.3150274 0.4367723 0.5385279), wk = 0.0034843 k( 80) = ( -0.3065132 0.4249676 0.5239731), wk = 0.0034843 k( 81) = ( -0.2979989 0.4131630 0.5094183), wk = 0.0034843 k( 82) = ( -0.2894847 0.4013583 0.4948635), wk = 0.0034843 k( 83) = ( -0.2809704 0.3895537 0.4803087), wk = 0.0034843 k( 84) = ( -0.2724562 0.3777490 0.4657539), wk = 0.0034843 k( 85) = ( -0.2639419 0.3659444 0.4511991), wk = 0.0034843 k( 86) = ( -0.2554277 0.3541397 0.4366443), wk = 0.0034843 k( 87) = ( -0.2469134 0.3423350 0.4220894), wk = 0.0034843 k( 88) = ( -0.2383991 0.3305304 0.4075346), wk = 0.0034843 k( 89) = ( -0.2298849 0.3187257 0.3929798), wk = 0.0034843 k( 90) = ( -0.2213706 0.3069211 0.3784250), wk = 0.0034843 k( 91) = ( -0.2128564 0.2951164 0.3638702), wk = 0.0034843 k( 92) = ( -0.2043421 0.2833118 0.3493154), wk = 0.0034843 k( 93) = ( -0.1958279 0.2715071 0.3347606), wk = 0.0034843 k( 94) = ( -0.1873136 0.2597024 0.3202058), wk = 0.0034843 k( 95) = ( -0.1787993 0.2478978 0.3056510), wk = 0.0034843 k( 96) = ( -0.1702851 0.2360931 0.2910962), wk = 0.0034843 k( 97) = ( -0.1617708 0.2242885 0.2765414), wk = 0.0034843 k( 98) = ( -0.1532566 0.2124838 0.2619866), wk = 0.0034843 k( 99) = ( -0.1447423 0.2006792 0.2474317), wk = 0.0034843 k( 100) = ( -0.1362281 0.1888745 0.2328769), wk = 0.0034843 k( 101) = ( -0.1277138 0.1770698 0.2183221), wk = 0.0034843 k( 102) = ( -0.1191996 0.1652652 0.2037673), wk = 0.0034843 k( 103) = ( -0.1106853 0.1534605 0.1892125), wk = 0.0034843 k( 104) = ( -0.1021711 0.1416559 0.1746577), wk = 0.0034843 k( 105) = ( -0.0936568 0.1298512 0.1601029), wk = 0.0034843 k( 106) = ( -0.0851425 0.1180466 0.1455481), wk = 0.0034843 k( 107) = ( -0.0766283 0.1062419 0.1309933), wk = 0.0034843 k( 108) = ( -0.0681140 0.0944373 0.1164385), wk = 0.0034843 k( 109) = ( -0.0595998 0.0826326 0.1018837), wk = 0.0034843 k( 110) = ( -0.0510855 0.0708279 0.0873289), wk = 0.0034843 k( 111) = ( -0.0425713 0.0590233 0.0727740), wk = 0.0034843 k( 112) = ( -0.0340570 0.0472186 0.0582192), wk = 0.0034843 k( 113) = ( -0.0255428 0.0354140 0.0436644), wk = 0.0034843 k( 114) = ( -0.0170285 0.0236093 0.0291096), wk = 0.0034843 k( 115) = ( -0.0085142 0.0118046 0.0145548), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 118) = ( 0.0166667 0.0120210 -0.0000000), wk = 0.0034843 k( 119) = ( 0.0333333 0.0240421 -0.0000000), wk = 0.0034843 k( 120) = ( 0.0500000 0.0360631 -0.0000000), wk = 0.0034843 k( 121) = ( 0.0666667 0.0480842 -0.0000000), wk = 0.0034843 k( 122) = ( 0.0833333 0.0601052 -0.0000000), wk = 0.0034843 k( 123) = ( 0.1000000 0.0721262 -0.0000000), wk = 0.0034843 k( 124) = ( 0.1166667 0.0841473 -0.0000000), wk = 0.0034843 k( 125) = ( 0.1333333 0.0961683 -0.0000000), wk = 0.0034843 k( 126) = ( 0.1500000 0.1081894 -0.0000000), wk = 0.0034843 k( 127) = ( 0.1666667 0.1202104 -0.0000000), wk = 0.0034843 k( 128) = ( 0.1833333 0.1322314 -0.0000000), wk = 0.0034843 k( 129) = ( 0.2000000 0.1442525 -0.0000000), wk = 0.0034843 k( 130) = ( 0.2166667 0.1562735 -0.0000000), wk = 0.0034843 k( 131) = ( 0.2333333 0.1682946 -0.0000000), wk = 0.0034843 k( 132) = ( 0.2500000 0.1803156 -0.0000000), wk = 0.0034843 k( 133) = ( 0.2666667 0.1923366 -0.0000000), wk = 0.0034843 k( 134) = ( 0.2833333 0.2043577 -0.0000000), wk = 0.0034843 k( 135) = ( 0.3000000 0.2163787 -0.0000000), wk = 0.0034843 k( 136) = ( 0.3166667 0.2283998 -0.0000000), wk = 0.0034843 k( 137) = ( 0.3333333 0.2404208 -0.0000000), wk = 0.0034843 k( 138) = ( 0.3500000 0.2524418 -0.0000000), wk = 0.0034843 k( 139) = ( 0.3666667 0.2644629 -0.0000000), wk = 0.0034843 k( 140) = ( 0.3833333 0.2764839 -0.0000000), wk = 0.0034843 k( 141) = ( 0.4000000 0.2885050 -0.0000000), wk = 0.0034843 k( 142) = ( 0.4166667 0.3005260 -0.0000000), wk = 0.0034843 k( 143) = ( 0.4333333 0.3125470 -0.0000000), wk = 0.0034843 k( 144) = ( 0.4500000 0.3245681 -0.0000000), wk = 0.0034843 k( 145) = ( 0.4666667 0.3365891 -0.0000000), wk = 0.0034843 k( 146) = ( 0.4833333 0.3486102 -0.0000000), wk = 0.0034843 k( 147) = ( 0.5000000 0.3606312 -0.0000000), wk = 0.0034843 k( 148) = ( 0.5000000 0.3606312 -0.0000000), wk = 0.0034843 k( 149) = ( 0.4915922 0.3722883 0.0143729), wk = 0.0034843 k( 150) = ( 0.4831843 0.3839454 0.0287458), wk = 0.0034843 k( 151) = ( 0.4747765 0.3956026 0.0431187), wk = 0.0034843 k( 152) = ( 0.4663686 0.4072597 0.0574916), wk = 0.0034843 k( 153) = ( 0.4579608 0.4189168 0.0718645), wk = 0.0034843 k( 154) = ( 0.4495529 0.4305739 0.0862374), wk = 0.0034843 k( 155) = ( 0.4411451 0.4422311 0.1006103), wk = 0.0034843 k( 156) = ( 0.4327373 0.4538882 0.1149832), wk = 0.0034843 k( 157) = ( 0.4243294 0.4655453 0.1293561), wk = 0.0034843 k( 158) = ( 0.4159216 0.4772024 0.1437290), wk = 0.0034843 k( 159) = ( 0.4075137 0.4888595 0.1581019), wk = 0.0034843 k( 160) = ( 0.3991059 0.5005167 0.1724748), wk = 0.0034843 k( 161) = ( 0.3906980 0.5121738 0.1868477), wk = 0.0034843 k( 162) = ( 0.3822902 0.5238309 0.2012206), wk = 0.0034843 k( 163) = ( 0.3738823 0.5354880 0.2155935), wk = 0.0034843 k( 164) = ( 0.3654745 0.5471452 0.2299664), wk = 0.0034843 k( 165) = ( 0.3570666 0.5588023 0.2443394), wk = 0.0034843 k( 166) = ( 0.3486588 0.5704594 0.2587123), wk = 0.0034843 k( 167) = ( 0.3402510 0.5821165 0.2730852), wk = 0.0034843 k( 168) = ( 0.3318431 0.5937736 0.2874581), wk = 0.0034843 k( 169) = ( 0.3234353 0.6054308 0.3018310), wk = 0.0034843 k( 170) = ( 0.3150274 0.6170879 0.3162039), wk = 0.0034843 k( 171) = ( 0.3150274 0.6170879 0.3162039), wk = 0.0034843 k( 172) = ( 0.2964964 0.6117845 0.3227428), wk = 0.0034843 k( 173) = ( 0.2779654 0.6064811 0.3292818), wk = 0.0034843 k( 174) = ( 0.2594343 0.6011777 0.3358207), wk = 0.0034843 k( 175) = ( 0.2409033 0.5958743 0.3423596), wk = 0.0034843 k( 176) = ( 0.2223723 0.5905709 0.3488986), wk = 0.0034843 k( 177) = ( 0.2038413 0.5852675 0.3554375), wk = 0.0034843 k( 178) = ( 0.1853103 0.5799641 0.3619765), wk = 0.0034843 k( 179) = ( 0.1667792 0.5746607 0.3685154), wk = 0.0034843 k( 180) = ( 0.1482482 0.5693573 0.3750544), wk = 0.0034843 k( 181) = ( 0.1297172 0.5640539 0.3815933), wk = 0.0034843 k( 182) = ( 0.1111861 0.5587505 0.3881322), wk = 0.0034843 k( 183) = ( 0.0926551 0.5534471 0.3946712), wk = 0.0034843 k( 184) = ( 0.0741241 0.5481437 0.4012101), wk = 0.0034843 k( 185) = ( 0.0555931 0.5428403 0.4077491), wk = 0.0034843 k( 186) = ( 0.0370620 0.5375369 0.4142880), wk = 0.0034843 k( 187) = ( 0.0185310 0.5322335 0.4208269), wk = 0.0034843 k( 188) = ( 0.0000000 0.5269301 0.4273659), wk = 0.0034843 k( 189) = ( 0.0000000 0.5269301 0.4273659), wk = 0.0034843 k( 190) = ( 0.0083333 0.5153763 0.4416114), wk = 0.0034843 k( 191) = ( 0.0166667 0.5038225 0.4558570), wk = 0.0034843 k( 192) = ( 0.0250000 0.4922686 0.4701025), wk = 0.0034843 k( 193) = ( 0.0333333 0.4807148 0.4843480), wk = 0.0034843 k( 194) = ( 0.0416667 0.4691610 0.4985935), wk = 0.0034843 k( 195) = ( 0.0500000 0.4576072 0.5128391), wk = 0.0034843 k( 196) = ( 0.0583333 0.4460534 0.5270846), wk = 0.0034843 k( 197) = ( 0.0666667 0.4344996 0.5413301), wk = 0.0034843 k( 198) = ( 0.0750000 0.4229457 0.5555757), wk = 0.0034843 k( 199) = ( 0.0833333 0.4113919 0.5698212), wk = 0.0034843 k( 200) = ( 0.0916667 0.3998381 0.5840667), wk = 0.0034843 k( 201) = ( 0.1000000 0.3882843 0.5983122), wk = 0.0034843 k( 202) = ( 0.1083333 0.3767305 0.6125578), wk = 0.0034843 k( 203) = ( 0.1166667 0.3651767 0.6268033), wk = 0.0034843 k( 204) = ( 0.1250000 0.3536228 0.6410488), wk = 0.0034843 k( 205) = ( 0.1333333 0.3420690 0.6552944), wk = 0.0034843 k( 206) = ( 0.1416667 0.3305152 0.6695399), wk = 0.0034843 k( 207) = ( 0.1500000 0.3189614 0.6837854), wk = 0.0034843 k( 208) = ( 0.1583333 0.3074076 0.6980310), wk = 0.0034843 k( 209) = ( 0.1666667 0.2958538 0.7122765), wk = 0.0034843 k( 210) = ( 0.1750000 0.2842999 0.7265220), wk = 0.0034843 k( 211) = ( 0.1833333 0.2727461 0.7407675), wk = 0.0034843 k( 212) = ( 0.1916667 0.2611923 0.7550131), wk = 0.0034843 k( 213) = ( 0.2000000 0.2496385 0.7692586), wk = 0.0034843 k( 214) = ( 0.2083333 0.2380847 0.7835041), wk = 0.0034843 k( 215) = ( 0.2166667 0.2265309 0.7977497), wk = 0.0034843 k( 216) = ( 0.2250000 0.2149770 0.8119952), wk = 0.0034843 k( 217) = ( 0.2333333 0.2034232 0.8262407), wk = 0.0034843 k( 218) = ( 0.2416667 0.1918694 0.8404863), wk = 0.0034843 k( 219) = ( 0.2500000 0.1803156 0.8547318), wk = 0.0034843 k( 220) = ( 0.2500000 0.1803156 0.8547318), wk = 0.0034843 k( 221) = ( 0.2631579 0.1898059 0.8430305), wk = 0.0034843 k( 222) = ( 0.2763158 0.1992962 0.8313293), wk = 0.0034843 k( 223) = ( 0.2894737 0.2087865 0.8196280), wk = 0.0034843 k( 224) = ( 0.3026316 0.2182768 0.8079267), wk = 0.0034843 k( 225) = ( 0.3157895 0.2277671 0.7962254), wk = 0.0034843 k( 226) = ( 0.3289474 0.2372574 0.7845242), wk = 0.0034843 k( 227) = ( 0.3421053 0.2467477 0.7728229), wk = 0.0034843 k( 228) = ( 0.3552632 0.2562380 0.7611217), wk = 0.0034843 k( 229) = ( 0.3684211 0.2657283 0.7494204), wk = 0.0034843 k( 230) = ( 0.3815789 0.2752185 0.7377191), wk = 0.0034843 k( 231) = ( 0.3947368 0.2847088 0.7260179), wk = 0.0034843 k( 232) = ( 0.4078947 0.2941991 0.7143166), wk = 0.0034843 k( 233) = ( 0.4210526 0.3036894 0.7026153), wk = 0.0034843 k( 234) = ( 0.4342105 0.3131797 0.6909141), wk = 0.0034843 k( 235) = ( 0.4473684 0.3226700 0.6792128), wk = 0.0034843 k( 236) = ( 0.4605263 0.3321603 0.6675115), wk = 0.0034843 k( 237) = ( 0.4736842 0.3416506 0.6558103), wk = 0.0034843 k( 238) = ( 0.4868421 0.3511409 0.6441090), wk = 0.0034843 k( 239) = ( 0.5000000 0.3606312 0.6324077), wk = 0.0034843 k( 240) = ( 0.5000000 0.3606312 0.6324077), wk = 0.0034843 k( 241) = ( 0.5000000 0.3606312 0.6120075), wk = 0.0034843 k( 242) = ( 0.5000000 0.3606312 0.5916072), wk = 0.0034843 k( 243) = ( 0.5000000 0.3606312 0.5712070), wk = 0.0034843 k( 244) = ( 0.5000000 0.3606312 0.5508067), wk = 0.0034843 k( 245) = ( 0.5000000 0.3606312 0.5304065), wk = 0.0034843 k( 246) = ( 0.5000000 0.3606312 0.5100062), wk = 0.0034843 k( 247) = ( 0.5000000 0.3606312 0.4896060), wk = 0.0034843 k( 248) = ( 0.5000000 0.3606312 0.4692057), wk = 0.0034843 k( 249) = ( 0.5000000 0.3606312 0.4488055), wk = 0.0034843 k( 250) = ( 0.5000000 0.3606312 0.4284052), wk = 0.0034843 k( 251) = ( 0.5000000 0.3606312 0.4080050), wk = 0.0034843 k( 252) = ( 0.5000000 0.3606312 0.3876047), wk = 0.0034843 k( 253) = ( 0.5000000 0.3606312 0.3672045), wk = 0.0034843 k( 254) = ( 0.5000000 0.3606312 0.3468042), wk = 0.0034843 k( 255) = ( 0.5000000 0.3606312 0.3264040), wk = 0.0034843 k( 256) = ( 0.5000000 0.3606312 0.3060037), wk = 0.0034843 k( 257) = ( 0.5000000 0.3606312 0.2856035), wk = 0.0034843 k( 258) = ( 0.5000000 0.3606312 0.2652032), wk = 0.0034843 k( 259) = ( 0.5000000 0.3606312 0.2448030), wk = 0.0034843 k( 260) = ( 0.5000000 0.3606312 0.2244028), wk = 0.0034843 k( 261) = ( 0.5000000 0.3606312 0.2040025), wk = 0.0034843 k( 262) = ( 0.5000000 0.3606312 0.1836023), wk = 0.0034843 k( 263) = ( 0.5000000 0.3606312 0.1632020), wk = 0.0034843 k( 264) = ( 0.5000000 0.3606312 0.1428017), wk = 0.0034843 k( 265) = ( 0.5000000 0.3606312 0.1224015), wk = 0.0034843 k( 266) = ( 0.5000000 0.3606312 0.1020012), wk = 0.0034843 k( 267) = ( 0.5000000 0.3606312 0.0816010), wk = 0.0034843 k( 268) = ( 0.5000000 0.3606312 0.0612007), wk = 0.0034843 k( 269) = ( 0.5000000 0.3606312 0.0408005), wk = 0.0034843 k( 270) = ( 0.5000000 0.3606312 0.0204002), wk = 0.0034843 k( 271) = ( 0.5000000 0.3606312 -0.0000000), wk = 0.0034843 k( 272) = ( 0.0000000 0.0000000 0.8547318), wk = 0.0034843 k( 273) = ( 0.0166667 0.0120210 0.8547318), wk = 0.0034843 k( 274) = ( 0.0333333 0.0240421 0.8547318), wk = 0.0034843 k( 275) = ( 0.0500000 0.0360631 0.8547318), wk = 0.0034843 k( 276) = ( 0.0666667 0.0480842 0.8547318), wk = 0.0034843 k( 277) = ( 0.0833333 0.0601052 0.8547318), wk = 0.0034843 k( 278) = ( 0.1000000 0.0721262 0.8547318), wk = 0.0034843 k( 279) = ( 0.1166667 0.0841473 0.8547318), wk = 0.0034843 k( 280) = ( 0.1333333 0.0961683 0.8547318), wk = 0.0034843 k( 281) = ( 0.1500000 0.1081894 0.8547318), wk = 0.0034843 k( 282) = ( 0.1666667 0.1202104 0.8547318), wk = 0.0034843 k( 283) = ( 0.1833333 0.1322314 0.8547318), wk = 0.0034843 k( 284) = ( 0.2000000 0.1442525 0.8547318), wk = 0.0034843 k( 285) = ( 0.2166667 0.1562735 0.8547318), wk = 0.0034843 k( 286) = ( 0.2333333 0.1682946 0.8547318), wk = 0.0034843 k( 287) = ( 0.2500000 0.1803156 0.8547318), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0034843 k( 3) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034843 k( 4) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0034843 k( 5) = ( 0.0000000 0.0000000 0.0476190), wk = 0.0034843 k( 6) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0034843 k( 7) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034843 k( 8) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034843 k( 9) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034843 k( 10) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0034843 k( 11) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034843 k( 12) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0034843 k( 13) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034843 k( 14) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0034843 k( 15) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034843 k( 16) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0034843 k( 17) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034843 k( 18) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0034843 k( 19) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034843 k( 20) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0034843 k( 21) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034843 k( 22) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034843 k( 23) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034843 k( 24) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0034843 k( 25) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034843 k( 26) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0034843 k( 27) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034843 k( 28) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0034843 k( 29) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034843 k( 30) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0034843 k( 31) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034843 k( 32) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0034843 k( 33) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034843 k( 34) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0034843 k( 35) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034843 k( 36) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034843 k( 37) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034843 k( 38) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0034843 k( 39) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034843 k( 40) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0034843 k( 41) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034843 k( 42) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0034843 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 45) = ( -0.0118232 0.0118232 0.5000000), wk = 0.0034843 k( 46) = ( -0.0236463 0.0236463 0.5000000), wk = 0.0034843 k( 47) = ( -0.0354695 0.0354695 0.5000000), wk = 0.0034843 k( 48) = ( -0.0472927 0.0472927 0.5000000), wk = 0.0034843 k( 49) = ( -0.0591158 0.0591158 0.5000000), wk = 0.0034843 k( 50) = ( -0.0709390 0.0709390 0.5000000), wk = 0.0034843 k( 51) = ( -0.0827622 0.0827622 0.5000000), wk = 0.0034843 k( 52) = ( -0.0945853 0.0945853 0.5000000), wk = 0.0034843 k( 53) = ( -0.1064085 0.1064085 0.5000000), wk = 0.0034843 k( 54) = ( -0.1182317 0.1182317 0.5000000), wk = 0.0034843 k( 55) = ( -0.1300549 0.1300549 0.5000000), wk = 0.0034843 k( 56) = ( -0.1300549 0.1300549 0.5000000), wk = 0.0034843 k( 57) = ( -0.1384627 0.1384627 0.4915922), wk = 0.0034843 k( 58) = ( -0.1468705 0.1468705 0.4831843), wk = 0.0034843 k( 59) = ( -0.1552784 0.1552784 0.4747765), wk = 0.0034843 k( 60) = ( -0.1636862 0.1636862 0.4663686), wk = 0.0034843 k( 61) = ( -0.1720941 0.1720941 0.4579608), wk = 0.0034843 k( 62) = ( -0.1805019 0.1805019 0.4495529), wk = 0.0034843 k( 63) = ( -0.1889098 0.1889098 0.4411451), wk = 0.0034843 k( 64) = ( -0.1973176 0.1973176 0.4327373), wk = 0.0034843 k( 65) = ( -0.2057255 0.2057255 0.4243294), wk = 0.0034843 k( 66) = ( -0.2141333 0.2141333 0.4159216), wk = 0.0034843 k( 67) = ( -0.2225411 0.2225411 0.4075137), wk = 0.0034843 k( 68) = ( -0.2309490 0.2309490 0.3991059), wk = 0.0034843 k( 69) = ( -0.2393568 0.2393568 0.3906980), wk = 0.0034843 k( 70) = ( -0.2477647 0.2477647 0.3822902), wk = 0.0034843 k( 71) = ( -0.2561725 0.2561725 0.3738823), wk = 0.0034843 k( 72) = ( -0.2645804 0.2645804 0.3654745), wk = 0.0034843 k( 73) = ( -0.2729882 0.2729882 0.3570666), wk = 0.0034843 k( 74) = ( -0.2813961 0.2813960 0.3486588), wk = 0.0034843 k( 75) = ( -0.2898039 0.2898039 0.3402510), wk = 0.0034843 k( 76) = ( -0.2982117 0.2982117 0.3318431), wk = 0.0034843 k( 77) = ( -0.3066196 0.3066196 0.3234353), wk = 0.0034843 k( 78) = ( -0.3150274 0.3150274 0.3150274), wk = 0.0034843 k( 79) = ( -0.3150274 0.3150274 0.3150274), wk = 0.0034843 k( 80) = ( -0.3065132 0.3065132 0.3065132), wk = 0.0034843 k( 81) = ( -0.2979989 0.2979989 0.2979989), wk = 0.0034843 k( 82) = ( -0.2894847 0.2894847 0.2894847), wk = 0.0034843 k( 83) = ( -0.2809704 0.2809704 0.2809704), wk = 0.0034843 k( 84) = ( -0.2724562 0.2724562 0.2724562), wk = 0.0034843 k( 85) = ( -0.2639419 0.2639419 0.2639419), wk = 0.0034843 k( 86) = ( -0.2554277 0.2554277 0.2554277), wk = 0.0034843 k( 87) = ( -0.2469134 0.2469134 0.2469134), wk = 0.0034843 k( 88) = ( -0.2383991 0.2383991 0.2383991), wk = 0.0034843 k( 89) = ( -0.2298849 0.2298849 0.2298849), wk = 0.0034843 k( 90) = ( -0.2213706 0.2213706 0.2213706), wk = 0.0034843 k( 91) = ( -0.2128564 0.2128564 0.2128564), wk = 0.0034843 k( 92) = ( -0.2043421 0.2043421 0.2043421), wk = 0.0034843 k( 93) = ( -0.1958279 0.1958279 0.1958279), wk = 0.0034843 k( 94) = ( -0.1873136 0.1873136 0.1873136), wk = 0.0034843 k( 95) = ( -0.1787993 0.1787993 0.1787994), wk = 0.0034843 k( 96) = ( -0.1702851 0.1702851 0.1702851), wk = 0.0034843 k( 97) = ( -0.1617708 0.1617708 0.1617708), wk = 0.0034843 k( 98) = ( -0.1532566 0.1532566 0.1532566), wk = 0.0034843 k( 99) = ( -0.1447423 0.1447423 0.1447423), wk = 0.0034843 k( 100) = ( -0.1362281 0.1362281 0.1362281), wk = 0.0034843 k( 101) = ( -0.1277138 0.1277138 0.1277138), wk = 0.0034843 k( 102) = ( -0.1191996 0.1191996 0.1191996), wk = 0.0034843 k( 103) = ( -0.1106853 0.1106853 0.1106853), wk = 0.0034843 k( 104) = ( -0.1021711 0.1021711 0.1021711), wk = 0.0034843 k( 105) = ( -0.0936568 0.0936568 0.0936568), wk = 0.0034843 k( 106) = ( -0.0851425 0.0851425 0.0851425), wk = 0.0034843 k( 107) = ( -0.0766283 0.0766283 0.0766283), wk = 0.0034843 k( 108) = ( -0.0681140 0.0681140 0.0681140), wk = 0.0034843 k( 109) = ( -0.0595998 0.0595998 0.0595998), wk = 0.0034843 k( 110) = ( -0.0510855 0.0510855 0.0510855), wk = 0.0034843 k( 111) = ( -0.0425713 0.0425713 0.0425713), wk = 0.0034843 k( 112) = ( -0.0340570 0.0340570 0.0340570), wk = 0.0034843 k( 113) = ( -0.0255428 0.0255428 0.0255428), wk = 0.0034843 k( 114) = ( -0.0170285 0.0170285 0.0170285), wk = 0.0034843 k( 115) = ( -0.0085142 0.0085142 0.0085143), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 118) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0034843 k( 119) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0034843 k( 120) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0034843 k( 121) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0034843 k( 122) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0034843 k( 123) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0034843 k( 124) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0034843 k( 125) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0034843 k( 126) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0034843 k( 127) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0034843 k( 128) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0034843 k( 129) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0034843 k( 130) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0034843 k( 131) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0034843 k( 132) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034843 k( 133) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0034843 k( 134) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0034843 k( 135) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0034843 k( 136) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0034843 k( 137) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0034843 k( 138) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0034843 k( 139) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0034843 k( 140) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0034843 k( 141) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0034843 k( 142) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0034843 k( 143) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0034843 k( 144) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0034843 k( 145) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0034843 k( 146) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0034843 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034843 k( 148) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034843 k( 149) = ( 0.4915922 0.5084078 -0.4915922), wk = 0.0034843 k( 150) = ( 0.4831843 0.5168157 -0.4831843), wk = 0.0034843 k( 151) = ( 0.4747765 0.5252235 -0.4747765), wk = 0.0034843 k( 152) = ( 0.4663686 0.5336314 -0.4663686), wk = 0.0034843 k( 153) = ( 0.4579608 0.5420392 -0.4579608), wk = 0.0034843 k( 154) = ( 0.4495529 0.5504471 -0.4495529), wk = 0.0034843 k( 155) = ( 0.4411451 0.5588549 -0.4411451), wk = 0.0034843 k( 156) = ( 0.4327373 0.5672628 -0.4327372), wk = 0.0034843 k( 157) = ( 0.4243294 0.5756706 -0.4243294), wk = 0.0034843 k( 158) = ( 0.4159216 0.5840784 -0.4159216), wk = 0.0034843 k( 159) = ( 0.4075137 0.5924863 -0.4075137), wk = 0.0034843 k( 160) = ( 0.3991059 0.6008941 -0.3991059), wk = 0.0034843 k( 161) = ( 0.3906980 0.6093020 -0.3906980), wk = 0.0034843 k( 162) = ( 0.3822902 0.6177098 -0.3822902), wk = 0.0034843 k( 163) = ( 0.3738823 0.6261177 -0.3738823), wk = 0.0034843 k( 164) = ( 0.3654745 0.6345255 -0.3654745), wk = 0.0034843 k( 165) = ( 0.3570666 0.6429333 -0.3570667), wk = 0.0034843 k( 166) = ( 0.3486588 0.6513412 -0.3486588), wk = 0.0034843 k( 167) = ( 0.3402510 0.6597490 -0.3402510), wk = 0.0034843 k( 168) = ( 0.3318431 0.6681569 -0.3318431), wk = 0.0034843 k( 169) = ( 0.3234353 0.6765647 -0.3234353), wk = 0.0034843 k( 170) = ( 0.3150274 0.6849726 -0.3150274), wk = 0.0034843 k( 171) = ( 0.3150274 0.6849726 -0.3150274), wk = 0.0034843 k( 172) = ( 0.2964964 0.6740918 -0.2964964), wk = 0.0034843 k( 173) = ( 0.2779654 0.6632111 -0.2779654), wk = 0.0034843 k( 174) = ( 0.2594343 0.6523303 -0.2594343), wk = 0.0034843 k( 175) = ( 0.2409033 0.6414496 -0.2409033), wk = 0.0034843 k( 176) = ( 0.2223723 0.6305689 -0.2223723), wk = 0.0034843 k( 177) = ( 0.2038413 0.6196881 -0.2038413), wk = 0.0034843 k( 178) = ( 0.1853103 0.6088074 -0.1853102), wk = 0.0034843 k( 179) = ( 0.1667792 0.5979266 -0.1667792), wk = 0.0034843 k( 180) = ( 0.1482482 0.5870459 -0.1482482), wk = 0.0034843 k( 181) = ( 0.1297172 0.5761652 -0.1297172), wk = 0.0034843 k( 182) = ( 0.1111861 0.5652844 -0.1111862), wk = 0.0034843 k( 183) = ( 0.0926551 0.5544037 -0.0926551), wk = 0.0034843 k( 184) = ( 0.0741241 0.5435230 -0.0741241), wk = 0.0034843 k( 185) = ( 0.0555931 0.5326422 -0.0555931), wk = 0.0034843 k( 186) = ( 0.0370620 0.5217615 -0.0370621), wk = 0.0034843 k( 187) = ( 0.0185310 0.5108807 -0.0185310), wk = 0.0034843 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 190) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0034843 k( 191) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0034843 k( 192) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0034843 k( 193) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0034843 k( 194) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0034843 k( 195) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034843 k( 196) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0034843 k( 197) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0034843 k( 198) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0034843 k( 199) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034843 k( 200) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0034843 k( 201) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034843 k( 202) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0034843 k( 203) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0034843 k( 204) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034843 k( 205) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0034843 k( 206) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0034843 k( 207) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034843 k( 208) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0034843 k( 209) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034843 k( 210) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0034843 k( 211) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0034843 k( 212) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0034843 k( 213) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034843 k( 214) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0034843 k( 215) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0034843 k( 216) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0034843 k( 217) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0034843 k( 218) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0034843 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 221) = ( 0.2631579 0.2631579 0.2299971), wk = 0.0034843 k( 222) = ( 0.2763158 0.2763158 0.2099942), wk = 0.0034843 k( 223) = ( 0.2894737 0.2894737 0.1899913), wk = 0.0034843 k( 224) = ( 0.3026316 0.3026316 0.1699885), wk = 0.0034843 k( 225) = ( 0.3157895 0.3157895 0.1499856), wk = 0.0034843 k( 226) = ( 0.3289474 0.3289474 0.1299827), wk = 0.0034843 k( 227) = ( 0.3421053 0.3421053 0.1099798), wk = 0.0034843 k( 228) = ( 0.3552632 0.3552632 0.0899769), wk = 0.0034843 k( 229) = ( 0.3684211 0.3684210 0.0699740), wk = 0.0034843 k( 230) = ( 0.3815789 0.3815789 0.0499711), wk = 0.0034843 k( 231) = ( 0.3947368 0.3947368 0.0299682), wk = 0.0034843 k( 232) = ( 0.4078947 0.4078947 0.0099653), wk = 0.0034843 k( 233) = ( 0.4210526 0.4210526 -0.0100375), wk = 0.0034843 k( 234) = ( 0.4342105 0.4342105 -0.0300404), wk = 0.0034843 k( 235) = ( 0.4473684 0.4473684 -0.0500433), wk = 0.0034843 k( 236) = ( 0.4605263 0.4605263 -0.0700462), wk = 0.0034843 k( 237) = ( 0.4736842 0.4736842 -0.0900491), wk = 0.0034843 k( 238) = ( 0.4868421 0.4868421 -0.1100520), wk = 0.0034843 k( 239) = ( 0.5000000 0.5000000 -0.1300549), wk = 0.0034843 k( 240) = ( 0.5000000 0.5000000 -0.1300549), wk = 0.0034843 k( 241) = ( 0.5000000 0.5000000 -0.1419886), wk = 0.0034843 k( 242) = ( 0.5000000 0.5000000 -0.1539223), wk = 0.0034843 k( 243) = ( 0.5000000 0.5000000 -0.1658560), wk = 0.0034843 k( 244) = ( 0.5000000 0.5000000 -0.1777897), wk = 0.0034843 k( 245) = ( 0.5000000 0.5000000 -0.1897234), wk = 0.0034843 k( 246) = ( 0.5000000 0.5000000 -0.2016572), wk = 0.0034843 k( 247) = ( 0.5000000 0.5000000 -0.2135909), wk = 0.0034843 k( 248) = ( 0.5000000 0.5000000 -0.2255246), wk = 0.0034843 k( 249) = ( 0.5000000 0.5000000 -0.2374583), wk = 0.0034843 k( 250) = ( 0.5000000 0.5000000 -0.2493920), wk = 0.0034843 k( 251) = ( 0.5000000 0.5000000 -0.2613257), wk = 0.0034843 k( 252) = ( 0.5000000 0.5000000 -0.2732594), wk = 0.0034843 k( 253) = ( 0.5000000 0.5000000 -0.2851932), wk = 0.0034843 k( 254) = ( 0.5000000 0.5000000 -0.2971269), wk = 0.0034843 k( 255) = ( 0.5000000 0.5000000 -0.3090606), wk = 0.0034843 k( 256) = ( 0.5000000 0.5000000 -0.3209943), wk = 0.0034843 k( 257) = ( 0.5000000 0.5000000 -0.3329280), wk = 0.0034843 k( 258) = ( 0.5000000 0.5000000 -0.3448617), wk = 0.0034843 k( 259) = ( 0.5000000 0.5000000 -0.3567954), wk = 0.0034843 k( 260) = ( 0.5000000 0.5000000 -0.3687291), wk = 0.0034843 k( 261) = ( 0.5000000 0.5000000 -0.3806629), wk = 0.0034843 k( 262) = ( 0.5000000 0.5000000 -0.3925966), wk = 0.0034843 k( 263) = ( 0.5000000 0.5000000 -0.4045303), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 -0.4164640), wk = 0.0034843 k( 265) = ( 0.5000000 0.5000000 -0.4283977), wk = 0.0034843 k( 266) = ( 0.5000000 0.5000000 -0.4403314), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 -0.4522651), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 -0.4641989), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 -0.4761326), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 -0.4880663), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034843 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 273) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0034843 k( 274) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0034843 k( 275) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0034843 k( 276) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0034843 k( 277) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034843 k( 278) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0034843 k( 279) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0034843 k( 280) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0034843 k( 281) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0034843 k( 282) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034843 k( 283) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0034843 k( 284) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0034843 k( 285) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0034843 k( 286) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0034843 k( 287) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 Dense grid: 78449 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 41239 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 226, 62) NL pseudopotentials 0.47 Mb ( 113, 272) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1635) G-vector shells 0.01 Mb ( 784) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 226, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.51 Mb ( 272, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ZnSiP2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.8 secs Computing kpt #: 2 total cpu time spent up to now is 50.3 secs Computing kpt #: 3 total cpu time spent up to now is 54.1 secs Computing kpt #: 4 total cpu time spent up to now is 58.0 secs Computing kpt #: 5 total cpu time spent up to now is 61.9 secs Computing kpt #: 6 total cpu time spent up to now is 65.8 secs Computing kpt #: 7 total cpu time spent up to now is 69.6 secs Computing kpt #: 8 total cpu time spent up to now is 73.4 secs Computing kpt #: 9 total cpu time spent up to now is 77.3 secs Computing kpt #: 10 total cpu time spent up to now is 81.0 secs Computing kpt #: 11 total cpu time spent up to now is 84.8 secs Computing kpt #: 12 total cpu time spent up to now is 88.4 secs Computing kpt #: 13 total cpu time spent up to now is 92.2 secs Computing kpt #: 14 total cpu time spent up to now is 96.1 secs Computing kpt #: 15 total cpu time spent up to now is 100.1 secs Computing kpt #: 16 total cpu time spent up to now is 104.3 secs Computing kpt #: 17 total cpu time spent up to now is 108.6 secs Computing kpt #: 18 total cpu time spent up to now is 113.2 secs Computing kpt #: 19 total cpu time spent up to now is 117.9 secs Computing kpt #: 20 total cpu time spent up to now is 122.7 secs Computing kpt #: 21 total cpu time spent up to now is 127.3 secs Computing kpt #: 22 total cpu time spent up to now is 132.0 secs Computing kpt #: 23 total cpu time spent up to now is 136.8 secs Computing kpt #: 24 total cpu time spent up to now is 141.4 secs Computing kpt #: 25 total cpu time spent up to now is 146.0 secs Computing kpt #: 26 total cpu time spent up to now is 150.5 secs Computing kpt #: 27 total cpu time spent up to now is 155.1 secs Computing kpt #: 28 total cpu time spent up to now is 159.6 secs Computing kpt #: 29 total cpu time spent up to now is 164.2 secs Computing kpt #: 30 total cpu time spent up to now is 169.5 secs Computing kpt #: 31 total cpu time spent up to now is 174.1 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.6 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.4 secs Computing kpt #: 34 total cpu time spent up to now is 195.6 secs Computing kpt #: 35 total cpu time spent up to now is 200.6 secs Computing kpt #: 36 total cpu time spent up to now is 205.8 secs Computing kpt #: 37 total cpu time spent up to now is 210.3 secs Computing kpt #: 38 total cpu time spent up to now is 215.8 secs Computing kpt #: 39 total cpu time spent up to now is 221.2 secs Computing kpt #: 40 total cpu time spent up to now is 227.6 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.0 secs Computing kpt #: 42 total cpu time spent up to now is 242.2 secs Computing kpt #: 43 total cpu time spent up to now is 247.4 secs Computing kpt #: 44 total cpu time spent up to now is 254.2 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.7 secs Computing kpt #: 46 total cpu time spent up to now is 268.2 secs Computing kpt #: 47 total cpu time spent up to now is 272.9 secs Computing kpt #: 48 total cpu time spent up to now is 279.3 secs Computing kpt #: 49 total cpu time spent up to now is 283.8 secs Computing kpt #: 50 total cpu time spent up to now is 288.4 secs Computing kpt #: 51 total cpu time spent up to now is 293.0 secs Computing kpt #: 52 total cpu time spent up to now is 297.7 secs Computing kpt #: 53 total cpu time spent up to now is 302.3 secs Computing kpt #: 54 total cpu time spent up to now is 307.1 secs Computing kpt #: 55 total cpu time spent up to now is 311.9 secs Computing kpt #: 56 total cpu time spent up to now is 316.9 secs Computing kpt #: 57 total cpu time spent up to now is 321.8 secs Computing kpt #: 58 total cpu time spent up to now is 326.6 secs Computing kpt #: 59 total cpu time spent up to now is 331.4 secs Computing kpt #: 60 total cpu time spent up to now is 335.8 secs Computing kpt #: 61 total cpu time spent up to now is 340.3 secs Computing kpt #: 62 total cpu time spent up to now is 344.4 secs Computing kpt #: 63 total cpu time spent up to now is 348.4 secs Computing kpt #: 64 total cpu time spent up to now is 352.4 secs Computing kpt #: 65 total cpu time spent up to now is 356.3 secs Computing kpt #: 66 total cpu time spent up to now is 360.3 secs Computing kpt #: 67 total cpu time spent up to now is 364.3 secs Computing kpt #: 68 total cpu time spent up to now is 368.6 secs Computing kpt #: 69 total cpu time spent up to now is 372.8 secs Computing kpt #: 70 total cpu time spent up to now is 377.2 secs Computing kpt #: 71 total cpu time spent up to now is 381.7 secs Computing kpt #: 72 total cpu time spent up to now is 386.4 secs Computing kpt #: 73 total cpu time spent up to now is 391.0 secs Computing kpt #: 74 total cpu time spent up to now is 395.6 secs Computing kpt #: 75 total cpu time spent up to now is 400.4 secs Computing kpt #: 76 total cpu time spent up to now is 405.3 secs Computing kpt #: 77 total cpu time spent up to now is 410.4 secs Computing kpt #: 78 total cpu time spent up to now is 415.3 secs Computing kpt #: 79 total cpu time spent up to now is 420.1 secs Computing kpt #: 80 total cpu time spent up to now is 425.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.1 secs Computing kpt #: 82 total cpu time spent up to now is 440.4 secs Computing kpt #: 83 total cpu time spent up to now is 446.0 secs Computing kpt #: 84 total cpu time spent up to now is 450.8 secs Computing kpt #: 85 total cpu time spent up to now is 455.4 secs Computing kpt #: 86 total cpu time spent up to now is 459.9 secs Computing kpt #: 87 total cpu time spent up to now is 464.4 secs Computing kpt #: 88 total cpu time spent up to now is 468.7 secs Computing kpt #: 89 total cpu time spent up to now is 472.9 secs Computing kpt #: 90 total cpu time spent up to now is 477.0 secs Computing kpt #: 91 total cpu time spent up to now is 481.0 secs Computing kpt #: 92 total cpu time spent up to now is 485.2 secs Computing kpt #: 93 total cpu time spent up to now is 489.7 secs Computing kpt #: 94 total cpu time spent up to now is 494.3 secs Computing kpt #: 95 total cpu time spent up to now is 499.6 secs Computing kpt #: 96 total cpu time spent up to now is 503.7 secs Computing kpt #: 97 total cpu time spent up to now is 507.5 secs Computing kpt #: 98 total cpu time spent up to now is 511.7 secs Computing kpt #: 99 total cpu time spent up to now is 515.4 secs Computing kpt #: 100 total cpu time spent up to now is 519.2 secs Computing kpt #: 101 total cpu time spent up to now is 523.0 secs Computing kpt #: 102 total cpu time spent up to now is 527.0 secs Computing kpt #: 103 total cpu time spent up to now is 530.9 secs Computing kpt #: 104 total cpu time spent up to now is 534.8 secs Computing kpt #: 105 total cpu time spent up to now is 538.7 secs Computing kpt #: 106 total cpu time spent up to now is 542.6 secs Computing kpt #: 107 total cpu time spent up to now is 546.6 secs Computing kpt #: 108 total cpu time spent up to now is 550.4 secs Computing kpt #: 109 total cpu time spent up to now is 554.2 secs Computing kpt #: 110 total cpu time spent up to now is 558.0 secs Computing kpt #: 111 total cpu time spent up to now is 563.6 secs Computing kpt #: 112 total cpu time spent up to now is 567.6 secs Computing kpt #: 113 total cpu time spent up to now is 571.5 secs Computing kpt #: 114 total cpu time spent up to now is 575.4 secs Computing kpt #: 115 total cpu time spent up to now is 578.9 secs Computing kpt #: 116 total cpu time spent up to now is 582.7 secs Computing kpt #: 117 total cpu time spent up to now is 586.5 secs Computing kpt #: 118 total cpu time spent up to now is 590.4 secs Computing kpt #: 119 total cpu time spent up to now is 594.2 secs Computing kpt #: 120 total cpu time spent up to now is 598.1 secs Computing kpt #: 121 total cpu time spent up to now is 602.3 secs Computing kpt #: 122 total cpu time spent up to now is 606.5 secs Computing kpt #: 123 total cpu time spent up to now is 610.8 secs Computing kpt #: 124 total cpu time spent up to now is 615.3 secs Computing kpt #: 125 total cpu time spent up to now is 619.5 secs Computing kpt #: 126 total cpu time spent up to now is 623.6 secs Computing kpt #: 127 total cpu time spent up to now is 627.6 secs Computing kpt #: 128 total cpu time spent up to now is 631.3 secs Computing kpt #: 129 total cpu time spent up to now is 635.0 secs Computing kpt #: 130 total cpu time spent up to now is 638.8 secs Computing kpt #: 131 total cpu time spent up to now is 642.6 secs Computing kpt #: 132 total cpu time spent up to now is 646.4 secs Computing kpt #: 133 total cpu time spent up to now is 650.3 secs Computing kpt #: 134 total cpu time spent up to now is 654.2 secs Computing kpt #: 135 total cpu time spent up to now is 658.2 secs Computing kpt #: 136 total cpu time spent up to now is 662.2 secs Computing kpt #: 137 total cpu time spent up to now is 665.9 secs Computing kpt #: 138 total cpu time spent up to now is 669.3 secs Computing kpt #: 139 total cpu time spent up to now is 672.9 secs Computing kpt #: 140 total cpu time spent up to now is 676.4 secs Computing kpt #: 141 total cpu time spent up to now is 679.7 secs Computing kpt #: 142 total cpu time spent up to now is 683.2 secs Computing kpt #: 143 total cpu time spent up to now is 686.9 secs Computing kpt #: 144 total cpu time spent up to now is 690.3 secs Computing kpt #: 145 total cpu time spent up to now is 693.8 secs Computing kpt #: 146 total cpu time spent up to now is 697.9 secs Computing kpt #: 147 total cpu time spent up to now is 701.3 secs Computing kpt #: 148 total cpu time spent up to now is 704.7 secs Computing kpt #: 149 total cpu time spent up to now is 709.5 secs Computing kpt #: 150 total cpu time spent up to now is 714.0 secs Computing kpt #: 151 total cpu time spent up to now is 718.2 secs Computing kpt #: 152 total cpu time spent up to now is 722.4 secs Computing kpt #: 153 total cpu time spent up to now is 726.6 secs Computing kpt #: 154 total cpu time spent up to now is 730.8 secs Computing kpt #: 155 total cpu time spent up to now is 734.9 secs Computing kpt #: 156 total cpu time spent up to now is 739.0 secs Computing kpt #: 157 total cpu time spent up to now is 743.0 secs Computing kpt #: 158 total cpu time spent up to now is 747.0 secs Computing kpt #: 159 total cpu time spent up to now is 751.2 secs Computing kpt #: 160 total cpu time spent up to now is 755.3 secs Computing kpt #: 161 total cpu time spent up to now is 759.4 secs Computing kpt #: 162 total cpu time spent up to now is 763.9 secs Computing kpt #: 163 total cpu time spent up to now is 768.5 secs Computing kpt #: 164 total cpu time spent up to now is 773.3 secs Computing kpt #: 165 total cpu time spent up to now is 779.9 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 787.4 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 795.2 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 802.5 secs Computing kpt #: 169 total cpu time spent up to now is 807.5 secs Computing kpt #: 170 total cpu time spent up to now is 812.5 secs Computing kpt #: 171 total cpu time spent up to now is 817.3 secs Computing kpt #: 172 total cpu time spent up to now is 822.2 secs Computing kpt #: 173 total cpu time spent up to now is 828.6 secs Computing kpt #: 174 total cpu time spent up to now is 835.7 secs Computing kpt #: 175 total cpu time spent up to now is 842.7 secs Computing kpt #: 176 total cpu time spent up to now is 848.5 secs Computing kpt #: 177 total cpu time spent up to now is 853.9 secs Computing kpt #: 178 total cpu time spent up to now is 859.8 secs Computing kpt #: 179 total cpu time spent up to now is 866.8 secs Computing kpt #: 180 total cpu time spent up to now is 871.8 secs Computing kpt #: 181 total cpu time spent up to now is 876.6 secs Computing kpt #: 182 total cpu time spent up to now is 881.2 secs Computing kpt #: 183 total cpu time spent up to now is 886.1 secs Computing kpt #: 184 total cpu time spent up to now is 891.2 secs Computing kpt #: 185 total cpu time spent up to now is 896.0 secs Computing kpt #: 186 total cpu time spent up to now is 900.8 secs Computing kpt #: 187 total cpu time spent up to now is 905.5 secs Computing kpt #: 188 total cpu time spent up to now is 910.0 secs Computing kpt #: 189 total cpu time spent up to now is 914.6 secs Computing kpt #: 190 total cpu time spent up to now is 919.3 secs Computing kpt #: 191 total cpu time spent up to now is 923.9 secs Computing kpt #: 192 total cpu time spent up to now is 928.5 secs Computing kpt #: 193 total cpu time spent up to now is 933.2 secs Computing kpt #: 194 total cpu time spent up to now is 938.0 secs Computing kpt #: 195 total cpu time spent up to now is 942.8 secs Computing kpt #: 196 total cpu time spent up to now is 947.6 secs Computing kpt #: 197 total cpu time spent up to now is 952.5 secs Computing kpt #: 198 total cpu time spent up to now is 957.1 secs Computing kpt #: 199 total cpu time spent up to now is 961.8 secs Computing kpt #: 200 total cpu time spent up to now is 967.3 secs Computing kpt #: 201 total cpu time spent up to now is 972.5 secs Computing kpt #: 202 total cpu time spent up to now is 978.2 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 986.0 secs Computing kpt #: 204 total cpu time spent up to now is 991.7 secs Computing kpt #: 205 total cpu time spent up to now is 997.2 secs Computing kpt #: 206 total cpu time spent up to now is 1001.9 secs Computing kpt #: 207 total cpu time spent up to now is 1006.5 secs Computing kpt #: 208 total cpu time spent up to now is 1011.1 secs Computing kpt #: 209 total cpu time spent up to now is 1015.3 secs Computing kpt #: 210 total cpu time spent up to now is 1019.5 secs Computing kpt #: 211 total cpu time spent up to now is 1023.5 secs Computing kpt #: 212 total cpu time spent up to now is 1027.6 secs Computing kpt #: 213 total cpu time spent up to now is 1031.6 secs Computing kpt #: 214 total cpu time spent up to now is 1035.5 secs Computing kpt #: 215 total cpu time spent up to now is 1039.5 secs Computing kpt #: 216 total cpu time spent up to now is 1043.5 secs Computing kpt #: 217 total cpu time spent up to now is 1047.9 secs Computing kpt #: 218 total cpu time spent up to now is 1052.7 secs Computing kpt #: 219 total cpu time spent up to now is 1059.9 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1067.7 secs Computing kpt #: 221 total cpu time spent up to now is 1073.0 secs Computing kpt #: 222 total cpu time spent up to now is 1078.3 secs Computing kpt #: 223 total cpu time spent up to now is 1082.9 secs Computing kpt #: 224 total cpu time spent up to now is 1087.3 secs Computing kpt #: 225 total cpu time spent up to now is 1091.8 secs Computing kpt #: 226 total cpu time spent up to now is 1096.1 secs Computing kpt #: 227 total cpu time spent up to now is 1100.3 secs Computing kpt #: 228 total cpu time spent up to now is 1104.7 secs Computing kpt #: 229 total cpu time spent up to now is 1109.2 secs Computing kpt #: 230 total cpu time spent up to now is 1113.2 secs Computing kpt #: 231 total cpu time spent up to now is 1117.5 secs Computing kpt #: 232 total cpu time spent up to now is 1121.7 secs Computing kpt #: 233 total cpu time spent up to now is 1125.8 secs Computing kpt #: 234 total cpu time spent up to now is 1129.9 secs Computing kpt #: 235 total cpu time spent up to now is 1134.1 secs Computing kpt #: 236 total cpu time spent up to now is 1138.4 secs Computing kpt #: 237 total cpu time spent up to now is 1142.7 secs Computing kpt #: 238 total cpu time spent up to now is 1147.4 secs Computing kpt #: 239 total cpu time spent up to now is 1152.1 secs Computing kpt #: 240 total cpu time spent up to now is 1156.9 secs Computing kpt #: 241 total cpu time spent up to now is 1163.2 secs Computing kpt #: 242 total cpu time spent up to now is 1168.8 secs Computing kpt #: 243 total cpu time spent up to now is 1173.5 secs Computing kpt #: 244 total cpu time spent up to now is 1178.4 secs Computing kpt #: 245 total cpu time spent up to now is 1183.0 secs Computing kpt #: 246 total cpu time spent up to now is 1188.1 secs Computing kpt #: 247 total cpu time spent up to now is 1192.7 secs Computing kpt #: 248 total cpu time spent up to now is 1197.5 secs Computing kpt #: 249 total cpu time spent up to now is 1202.1 secs Computing kpt #: 250 total cpu time spent up to now is 1206.5 secs Computing kpt #: 251 total cpu time spent up to now is 1210.7 secs Computing kpt #: 252 total cpu time spent up to now is 1215.3 secs Computing kpt #: 253 total cpu time spent up to now is 1219.9 secs Computing kpt #: 254 total cpu time spent up to now is 1224.4 secs Computing kpt #: 255 total cpu time spent up to now is 1229.0 secs Computing kpt #: 256 total cpu time spent up to now is 1233.4 secs Computing kpt #: 257 total cpu time spent up to now is 1237.9 secs Computing kpt #: 258 total cpu time spent up to now is 1242.4 secs Computing kpt #: 259 total cpu time spent up to now is 1246.9 secs Computing kpt #: 260 total cpu time spent up to now is 1251.4 secs Computing kpt #: 261 total cpu time spent up to now is 1255.8 secs Computing kpt #: 262 total cpu time spent up to now is 1260.4 secs Computing kpt #: 263 total cpu time spent up to now is 1264.8 secs Computing kpt #: 264 total cpu time spent up to now is 1269.4 secs Computing kpt #: 265 total cpu time spent up to now is 1273.9 secs Computing kpt #: 266 total cpu time spent up to now is 1278.3 secs Computing kpt #: 267 total cpu time spent up to now is 1282.5 secs Computing kpt #: 268 total cpu time spent up to now is 1286.9 secs Computing kpt #: 269 total cpu time spent up to now is 1291.3 secs Computing kpt #: 270 total cpu time spent up to now is 1295.7 secs Computing kpt #: 271 total cpu time spent up to now is 1299.1 secs Computing kpt #: 272 total cpu time spent up to now is 1306.1 secs Computing kpt #: 273 total cpu time spent up to now is 1313.2 secs Computing kpt #: 274 total cpu time spent up to now is 1320.4 secs Computing kpt #: 275 total cpu time spent up to now is 1327.5 secs Computing kpt #: 276 total cpu time spent up to now is 1334.0 secs Computing kpt #: 277 total cpu time spent up to now is 1340.7 secs Computing kpt #: 278 total cpu time spent up to now is 1345.8 secs Computing kpt #: 279 total cpu time spent up to now is 1352.5 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1360.2 secs Computing kpt #: 281 total cpu time spent up to now is 1367.1 secs Computing kpt #: 282 total cpu time spent up to now is 1373.9 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1381.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1389.4 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1397.1 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1404.8 secs Computing kpt #: 287 total cpu time spent up to now is 1412.1 secs ethr = 1.92E-11, avg # of iterations = 51.3 total cpu time spent up to now is 1412.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5133 PWs) bands (ev): -6.1686 -6.1686 -3.2204 -3.2204 -3.1874 -3.1874 -3.1863 -3.1863 -1.6992 -1.6992 0.0447 0.0447 0.0950 0.0950 0.1870 0.1870 0.2799 0.2799 0.3394 0.3394 0.4196 0.4196 0.4582 0.4582 0.5920 0.5920 0.5997 0.5997 0.6391 0.6391 0.7157 0.7157 2.1312 2.1312 2.5590 2.5590 2.5678 2.5678 2.8768 2.8768 3.4041 3.4041 4.5958 4.5958 4.6057 4.6057 6.8013 6.8013 6.8468 6.8468 6.9267 6.9267 8.2704 8.2704 8.8770 8.8770 9.6119 9.6119 10.2105 10.2105 10.2535 10.2535 k = 0.0000 0.0000 0.0204 ( 5139 PWs) bands (ev): -6.1676 -6.1676 -3.2211 -3.2205 -3.1897 -3.1890 -3.1880 -3.1878 -1.6974 -1.6966 0.0431 0.0462 0.0914 0.0976 0.1855 0.1881 0.2712 0.2886 0.3377 0.3411 0.4159 0.4187 0.4512 0.4688 0.5800 0.5976 0.6015 0.6040 0.6380 0.6387 0.7090 0.7266 2.1307 2.1311 2.5573 2.5587 2.5665 2.5678 2.8813 2.8825 3.4062 3.4063 4.5925 4.5949 4.6050 4.6059 6.7938 6.7962 6.8410 6.8418 6.9216 6.9239 8.2754 8.2771 8.8830 8.8834 9.6188 9.6191 10.2118 10.2119 10.2546 10.2548 k = 0.0000 0.0000 0.0407 ( 5131 PWs) bands (ev): -6.1646 -6.1646 -3.2228 -3.2215 -3.1961 -3.1947 -3.1919 -3.1917 -1.6912 -1.6896 0.0413 0.0477 0.0866 0.0991 0.1837 0.1888 0.2626 0.2968 0.3360 0.3428 0.4068 0.4156 0.4490 0.4800 0.5682 0.5955 0.6034 0.6141 0.6364 0.6375 0.7075 0.7405 2.1295 2.1302 2.5534 2.5573 2.5639 2.5679 2.8956 2.8979 3.4122 3.4122 4.5803 4.5851 4.6090 4.6108 6.7681 6.7727 6.8305 6.8326 6.9093 6.9129 8.2916 8.2948 8.9020 8.9026 9.6387 9.6396 10.2155 10.2157 10.2589 10.2593 k = 0.0000 0.0000 0.0611 ( 5139 PWs) bands (ev): -6.1594 -6.1594 -3.2272 -3.2249 -3.2052 -3.2029 -3.1981 -3.1979 -1.6808 -1.6784 0.0393 0.0489 0.0808 0.0995 0.1815 0.1891 0.2544 0.3045 0.3344 0.3444 0.3950 0.4115 0.4497 0.4904 0.5569 0.5929 0.6054 0.6176 0.6359 0.6395 0.7107 0.7560 2.1272 2.1282 2.5486 2.5548 2.5621 2.5689 2.9184 2.9213 3.4212 3.4213 4.5602 4.5667 4.6184 4.6207 6.7193 6.7244 6.8227 6.8254 6.8903 6.8942 8.3172 8.3217 8.9347 8.9355 9.6688 9.6704 10.2199 10.2210 10.2681 10.2681 k = 0.0000 0.0000 0.0814 ( 5133 PWs) bands (ev): -6.1523 -6.1523 -3.2377 -3.2351 -3.2123 -3.2098 -3.2066 -3.2063 -1.6664 -1.6632 0.0370 0.0500 0.0741 0.0990 0.1788 0.1888 0.2470 0.3111 0.3329 0.3458 0.3831 0.4068 0.4513 0.4994 0.5460 0.5895 0.6074 0.6140 0.6344 0.6489 0.7175 0.7721 2.1235 2.1247 2.5448 2.5525 2.5626 2.5718 2.9479 2.9511 3.4318 3.4320 4.5349 4.5430 4.6321 4.6348 6.6503 6.6550 6.8156 6.8188 6.8655 6.8688 8.3499 8.3552 8.9827 8.9834 9.7049 9.7077 10.2240 10.2260 10.2828 10.2848 k = 0.0000 0.0000 0.1018 ( 5133 PWs) bands (ev): -6.1431 -6.1431 -3.2557 -3.2536 -3.2184 -3.2180 -3.2142 -3.2129 -1.6483 -1.6443 0.0344 0.0505 0.0671 0.0976 0.1757 0.1877 0.2407 0.3160 0.3315 0.3472 0.3729 0.4020 0.4529 0.5067 0.5359 0.5848 0.6093 0.6096 0.6331 0.6595 0.7267 0.7879 2.1178 2.1190 2.5440 2.5524 2.5663 2.5772 2.9825 2.9858 3.4422 3.4428 4.5075 4.5168 4.6496 4.6528 6.5650 6.5692 6.8032 6.8076 6.8391 6.8409 8.3868 8.3926 9.0470 9.0474 9.7425 9.7468 10.2272 10.2295 10.3042 10.3101 k = 0.0000 0.0000 0.1221 ( 5131 PWs) bands (ev): -6.1320 -6.1319 -3.2793 -3.2777 -3.2310 -3.2309 -3.2162 -3.2151 -1.6268 -1.6221 0.0314 0.0490 0.0611 0.0954 0.1720 0.1857 0.2358 0.3180 0.3303 0.3490 0.3656 0.3972 0.4540 0.5125 0.5265 0.5788 0.6055 0.6116 0.6320 0.6694 0.7371 0.8028 2.1097 2.1109 2.5477 2.5563 2.5734 2.5859 3.0210 3.0241 3.4507 3.4517 4.4810 4.4912 4.6706 4.6744 6.4667 6.4704 6.7745 6.7796 6.8219 6.8228 8.4255 8.4313 9.1284 9.1285 9.7775 9.7837 10.2294 10.2316 10.3317 10.3427 k = 0.0000 0.0000 0.1425 ( 5131 PWs) bands (ev): -6.1188 -6.1188 -3.3070 -3.3057 -3.2460 -3.2460 -3.2175 -3.2167 -1.6023 -1.5968 0.0278 0.0430 0.0590 0.0927 0.1679 0.1828 0.2325 0.3162 0.3291 0.3518 0.3617 0.3925 0.4544 0.5169 0.5182 0.5720 0.6028 0.6135 0.6313 0.6780 0.7477 0.8160 2.0990 2.1002 2.5571 2.5656 2.5843 2.5980 3.0623 3.0650 3.4553 3.4570 4.4587 4.4695 4.6949 4.6992 6.3583 6.3616 6.7308 6.7353 6.8126 6.8138 8.4641 8.4696 9.2261 9.2269 9.8075 9.8157 10.2311 10.2329 10.3640 10.3804 k = 0.0000 0.0000 0.1628 ( 5131 PWs) bands (ev): -6.1036 -6.1036 -3.3380 -3.3370 -3.2630 -3.2629 -3.2188 -3.2182 -1.5750 -1.5690 0.0236 0.0338 0.0593 0.0896 0.1634 0.1791 0.2305 0.3116 0.3279 0.3555 0.3605 0.3879 0.4540 0.5110 0.5202 0.5648 0.6009 0.6148 0.6313 0.6851 0.7578 0.8271 2.0857 2.0870 2.5731 2.5811 2.5984 2.6132 3.1057 3.1080 3.4550 3.4576 4.4437 4.4548 4.7220 4.7269 6.2421 6.2453 6.6787 6.6827 6.8051 6.8066 8.5018 8.5069 9.3394 9.3411 9.8315 9.8415 10.2324 10.2338 10.3998 10.4208 k = 0.0000 0.0000 0.1832 ( 5139 PWs) bands (ev): -6.0865 -6.0865 -3.3719 -3.3710 -3.2816 -3.2815 -3.2203 -3.2198 -1.5455 -1.5388 0.0186 0.0234 0.0604 0.0862 0.1586 0.1749 0.2296 0.3056 0.3269 0.3578 0.3626 0.3835 0.4526 0.5051 0.5224 0.5577 0.5995 0.6151 0.6323 0.6906 0.7665 0.8356 2.0702 2.0714 2.5963 2.6037 2.6148 2.6303 3.1507 3.1523 3.4497 3.4533 4.4383 4.4492 4.7513 4.7569 6.1206 6.1239 6.6202 6.6238 6.7977 6.7993 8.5385 8.5429 9.4665 9.4688 9.8500 9.8613 10.2338 10.2348 10.4381 10.4626 k = 0.0000 0.0000 0.2035 ( 5139 PWs) bands (ev): -6.0674 -6.0674 -3.4081 -3.4072 -3.3016 -3.3016 -3.2222 -3.2218 -1.5138 -1.5067 0.0124 0.0128 0.0619 0.0828 0.1537 0.1706 0.2296 0.2993 0.3258 0.3581 0.3675 0.3794 0.4502 0.5004 0.5239 0.5509 0.5983 0.6142 0.6344 0.6945 0.7732 0.8413 2.0528 2.0541 2.6268 2.6311 2.6338 2.6479 3.1966 3.1977 3.4409 3.4454 4.4435 4.4541 4.7822 4.7884 5.9958 5.9994 6.5564 6.5597 6.7898 6.7916 8.5744 8.5781 9.6044 9.6072 9.8636 9.8759 10.2362 10.2366 10.4784 10.5052 k = 0.0000 0.0000 0.2239 ( 5139 PWs) bands (ev): -6.0464 -6.0464 -3.4462 -3.4454 -3.3230 -3.3230 -3.2245 -3.2242 -1.4804 -1.4728 0.0010 0.0062 0.0635 0.0795 0.1486 0.1663 0.2300 0.2931 0.3247 0.3580 0.3730 0.3757 0.4470 0.4968 0.5245 0.5445 0.5974 0.6122 0.6374 0.6968 0.7777 0.8440 2.0340 2.0353 2.6456 2.6588 2.6692 2.6712 3.2433 3.2436 3.4316 3.4371 4.4595 4.4695 4.8134 4.8204 5.8701 5.8741 6.4881 6.4912 6.7812 6.7832 8.6098 8.6128 9.7488 9.7520 9.8735 9.8861 10.2414 10.2415 10.5203 10.5486 k = 0.0000 0.0000 0.2442 ( 5147 PWs) bands (ev): -6.0236 -6.0235 -3.4859 -3.4852 -3.3454 -3.3454 -3.2274 -3.2271 -1.4455 -1.4376 -0.0106 -0.0012 0.0652 0.0765 0.1436 0.1621 0.2307 0.2872 0.3236 0.3576 0.3724 0.3786 0.4431 0.4941 0.5243 0.5386 0.5965 0.6092 0.6412 0.6975 0.7799 0.8438 2.0142 2.0154 2.6546 2.6701 2.7136 2.7164 3.2897 3.2904 3.4263 3.4326 4.4853 4.4947 4.8431 4.8510 5.7459 5.7507 6.4160 6.4188 6.7720 6.7741 8.6453 8.6476 9.8783 9.8916 9.8932 9.8970 10.2547 10.2552 10.5636 10.5928 k = 0.0000 0.0000 0.2646 ( 5147 PWs) bands (ev): -5.9988 -5.9988 -3.5269 -3.5263 -3.3687 -3.3687 -3.2308 -3.2307 -1.4093 -1.4011 -0.0223 -0.0093 0.0670 0.0738 0.1386 0.1583 0.2315 0.2815 0.3223 0.3571 0.3696 0.3842 0.4389 0.4921 0.5231 0.5337 0.5956 0.6056 0.6454 0.6967 0.7796 0.8409 1.9935 1.9948 2.6554 2.6711 2.7673 2.7690 3.3359 3.3375 3.4298 3.4366 4.5196 4.5284 4.8684 4.8773 5.6269 5.6328 6.3407 6.3434 6.7620 6.7642 8.6811 8.6829 9.8838 9.8968 10.0149 10.0183 10.2928 10.2934 10.6083 10.6378 k = 0.0000 0.0000 0.2849 ( 5151 PWs) bands (ev): -5.9723 -5.9723 -3.5689 -3.5683 -3.3927 -3.3926 -3.2350 -3.2349 -1.3720 -1.3636 -0.0341 -0.0181 0.0689 0.0714 0.1337 0.1549 0.2322 0.2760 0.3210 0.3562 0.3673 0.3897 0.4344 0.4906 0.5204 0.5301 0.5946 0.6012 0.6500 0.6945 0.7773 0.8355 1.9722 1.9735 2.6460 2.6617 2.8284 2.8285 3.3816 3.3843 3.4459 3.4530 4.5606 4.5689 4.8843 4.8941 5.5185 5.5257 6.2631 6.2657 6.7512 6.7535 8.7177 8.7189 9.8859 9.8984 10.0882 10.0900 10.3822 10.3825 10.6539 10.6833 k = 0.0000 0.0000 0.3053 ( 5159 PWs) bands (ev): -5.9440 -5.9440 -3.6116 -3.6111 -3.4171 -3.4170 -3.2400 -3.2399 -1.3338 -1.3252 -0.0458 -0.0274 0.0693 0.0709 0.1289 0.1518 0.2326 0.2706 0.3196 0.3550 0.3656 0.3950 0.4299 0.4893 0.5163 0.5278 0.5934 0.5963 0.6549 0.6910 0.7731 0.8280 1.9500 1.9514 2.6264 2.6419 2.8946 2.8960 3.4266 3.4306 3.4767 3.4839 4.6070 4.6147 4.8829 4.8934 5.4295 5.4377 6.1840 6.1865 6.7396 6.7421 8.7553 8.7559 9.8861 9.8980 10.1140 10.1145 10.5139 10.5149 10.6996 10.7281 k = 0.0000 0.0000 0.3256 ( 5163 PWs) bands (ev): -5.9139 -5.9139 -3.6549 -3.6544 -3.4418 -3.4417 -3.2459 -3.2458 -1.2947 -1.2862 -0.0575 -0.0372 0.0675 0.0730 0.1243 0.1491 0.2327 0.2653 0.3182 0.3536 0.3645 0.4002 0.4254 0.4883 0.5116 0.5260 0.5909 0.5920 0.6598 0.6862 0.7673 0.8188 1.9269 1.9285 2.5984 2.6133 2.9665 2.9694 3.4707 3.4760 3.5224 3.5293 4.6571 4.6643 4.8549 4.8649 5.3699 5.3782 6.1046 6.1070 6.7272 6.7298 8.7939 8.7940 9.8846 9.8957 10.1171 10.1176 10.6536 10.6551 10.7429 10.7688 k = 0.0000 0.0000 0.3460 ( 5155 PWs) bands (ev): -5.8822 -5.8821 -3.6986 -3.6981 -3.4666 -3.4664 -3.2527 -3.2526 -1.2550 -1.2467 -0.0691 -0.0472 0.0660 0.0751 0.1198 0.1467 0.2323 0.2599 0.3170 0.3519 0.3639 0.4048 0.4212 0.4874 0.5066 0.5244 0.5851 0.5902 0.6648 0.6804 0.7605 0.8082 1.9023 1.9043 2.5649 2.5791 3.0432 3.0478 3.5131 3.5198 3.5817 3.5881 4.7097 4.7165 4.7970 4.8052 5.3436 5.3507 6.0262 6.0285 6.7142 6.7169 8.8334 8.8338 9.8815 9.8917 10.1102 10.1113 10.7712 10.7744 10.7765 10.7944 k = 0.0000 0.0000 0.3663 ( 5163 PWs) bands (ev): -5.8488 -5.8488 -3.7425 -3.7420 -3.4912 -3.4909 -3.2606 -3.2605 -1.2147 -1.2067 -0.0807 -0.0575 0.0647 0.0773 0.1154 0.1446 0.2313 0.2546 0.3159 0.3499 0.3638 0.4077 0.4185 0.4866 0.5016 0.5227 0.5791 0.5881 0.6697 0.6738 0.7530 0.7968 1.8759 1.8784 2.5293 2.5425 3.1239 3.1301 3.5531 3.5614 3.6527 3.6585 4.7156 4.7203 4.7651 4.7708 5.3425 5.3481 5.9508 5.9531 6.7004 6.7032 8.8740 8.8749 9.8768 9.8862 10.0979 10.0995 10.7849 10.7938 10.8476 10.8524 k = 0.0000 0.0000 0.3867 ( 5163 PWs) bands (ev): -5.8138 -5.8138 -3.7864 -3.7860 -3.5155 -3.5152 -3.2696 -3.2695 -1.1739 -1.1665 -0.0921 -0.0680 0.0636 0.0795 0.1111 0.1429 0.2297 0.2492 0.3150 0.3476 0.3642 0.4064 0.4197 0.4860 0.4966 0.5208 0.5730 0.5855 0.6664 0.6742 0.7451 0.7849 1.8472 1.8505 2.4949 2.5067 3.2073 3.2151 3.5891 3.5993 3.7337 3.7388 4.6231 4.6256 4.8195 4.8251 5.3539 5.3580 5.8815 5.8837 6.6860 6.6889 8.9160 8.9173 9.8705 9.8790 10.0820 10.0840 10.7757 10.7804 10.8824 10.8896 k = 0.0000 0.0000 0.4070 ( 5169 PWs) bands (ev): -5.7773 -5.7773 -3.8304 -3.8299 -3.5394 -3.5390 -3.2798 -3.2796 -1.1328 -1.1260 -0.1035 -0.0787 0.0627 0.0817 0.1070 0.1413 0.2275 0.2438 0.3145 0.3451 0.3650 0.4023 0.4233 0.4855 0.4916 0.5187 0.5669 0.5824 0.6585 0.6783 0.7370 0.7730 1.8159 1.8202 2.4642 2.4744 3.2916 3.3011 3.6194 3.6317 3.8230 3.8275 4.5293 4.5293 4.8741 4.8794 5.3661 5.3691 5.8228 5.8250 6.6710 6.6740 8.9591 8.9610 9.8625 9.8701 10.0632 10.0654 10.7615 10.7646 10.8933 10.9023 k = 0.0000 0.0000 0.4274 ( 5165 PWs) bands (ev): -5.7394 -5.7393 -3.8741 -3.8737 -3.5626 -3.5622 -3.2912 -3.2910 -1.0914 -1.0855 -0.1149 -0.0895 0.0620 0.0840 0.1030 0.1400 0.2247 0.2384 0.3144 0.3422 0.3661 0.3972 0.4276 0.4852 0.4865 0.5165 0.5609 0.5787 0.6503 0.6814 0.7291 0.7614 1.7820 1.7876 2.4391 2.4475 3.3745 3.3856 3.6411 3.6555 3.9194 3.9232 4.4407 4.4428 4.9278 4.9326 5.3689 5.3711 5.7814 5.7833 6.6555 6.6586 9.0035 9.0057 9.8527 9.8594 10.0417 10.0441 10.7474 10.7496 10.8930 10.9032 k = 0.0000 0.0000 0.4477 ( 5165 PWs) bands (ev): -5.7000 -5.7000 -3.9177 -3.9173 -3.5850 -3.5845 -3.3039 -3.3036 -1.0499 -1.0450 -0.1262 -0.1004 0.0613 0.0864 0.0991 0.1388 0.2215 0.2331 0.3146 0.3388 0.3675 0.3919 0.4318 0.4814 0.4851 0.5141 0.5551 0.5747 0.6420 0.6834 0.7214 0.7505 1.7460 1.7529 2.4208 2.4273 3.4519 3.4639 3.6515 3.6670 4.0216 4.0248 4.3689 4.3726 4.9800 4.9843 5.3550 5.3565 5.7628 5.7645 6.6396 6.6428 9.0489 9.0515 9.8409 9.8468 10.0177 10.0202 10.7344 10.7363 10.8880 10.8989 k = 0.0000 0.0000 0.4681 ( 5163 PWs) bands (ev): -5.6594 -5.6593 -3.9611 -3.9606 -3.6065 -3.6060 -3.3178 -3.3175 -1.0083 -1.0046 -0.1376 -0.1114 0.0609 0.0887 0.0954 0.1377 0.2179 0.2278 0.3150 0.3350 0.3690 0.3866 0.4358 0.4761 0.4853 0.5115 0.5496 0.5702 0.6337 0.6836 0.7140 0.7409 1.7086 1.7169 2.4098 2.4143 3.5139 3.5232 3.6552 3.6671 4.1289 4.1316 4.3231 4.3271 5.0299 5.0337 5.3235 5.3245 5.7675 5.7688 6.6235 6.6268 9.0951 9.0981 9.8270 9.8320 9.9912 9.9937 10.7231 10.7247 10.8816 10.8929 k = 0.0000 0.0000 0.4884 ( 5171 PWs) bands (ev): -5.6175 -5.6174 -4.0041 -4.0037 -3.6269 -3.6263 -3.3331 -3.3326 -0.9668 -0.9645 -0.1490 -0.1224 0.0605 0.0911 0.0918 0.1367 0.2141 0.2227 0.3157 0.3306 0.3707 0.3814 0.4396 0.4706 0.4858 0.5088 0.5445 0.5654 0.6257 0.6817 0.7066 0.7326 1.6710 1.6808 2.4060 2.4087 3.5304 3.5326 3.6772 3.6789 4.2403 4.2424 4.3092 4.3120 5.0771 5.0802 5.2803 5.2811 5.7898 5.7908 6.6073 6.6106 9.1419 9.1453 9.8104 9.8147 9.9621 9.9645 10.7134 10.7148 10.8754 10.8868 k = 0.0000 0.0000 0.5088 ( 5161 PWs) bands (ev): -5.5744 -5.5743 -4.0468 -4.0464 -3.6460 -3.6454 -3.3496 -3.3490 -0.9254 -0.9247 -0.1604 -0.1336 0.0603 0.0884 0.0934 0.1358 0.2103 0.2178 0.3166 0.3254 0.3725 0.3767 0.4432 0.4650 0.4866 0.5061 0.5398 0.5605 0.6181 0.6776 0.6991 0.7257 1.6345 1.6457 2.4092 2.4103 3.4819 3.4902 3.7142 3.7251 4.3259 4.3262 4.3551 4.3577 5.1210 5.1233 5.2332 5.2341 5.8231 5.8238 6.5911 6.5945 9.1889 9.1926 9.7909 9.7944 9.9302 9.9325 10.7050 10.7064 10.8704 10.8816 k = 0.0000 0.0000 0.5291 ( 5161 PWs) bands (ev): -5.5303 -5.5302 -4.0893 -4.0888 -3.6638 -3.6632 -3.3672 -3.3667 -0.8854 -0.8843 -0.1720 -0.1449 0.0601 0.0851 0.0958 0.1349 0.2065 0.2132 0.3175 0.3195 0.3726 0.3741 0.4464 0.4593 0.4878 0.5033 0.5355 0.5555 0.6109 0.6716 0.6915 0.7194 1.6003 1.6130 2.4185 2.4189 3.4049 3.4135 3.7559 3.7698 4.3655 4.3677 4.4725 4.4746 5.1613 5.1623 5.1889 5.1905 5.8625 5.8630 6.5751 6.5785 9.2354 9.2395 9.7678 9.7708 9.8956 9.8977 10.6976 10.6989 10.8671 10.8781 k = 0.0000 0.0000 0.5495 ( 5171 PWs) bands (ev): -5.4853 -5.4852 -4.1314 -4.1310 -3.6802 -3.6795 -3.3861 -3.3854 -0.8468 -0.8437 -0.1837 -0.1564 0.0601 0.0820 0.0982 0.1339 0.2030 0.2088 0.3127 0.3183 0.3693 0.3757 0.4493 0.4533 0.4892 0.5007 0.5315 0.5506 0.6042 0.6645 0.6833 0.7130 1.5698 1.5840 2.4330 2.4346 3.3132 3.3205 3.7893 3.8040 4.4216 4.4255 4.5918 4.5940 5.1529 5.1540 5.1975 5.1985 5.9050 5.9052 6.5595 6.5629 9.2805 9.2850 9.7407 9.7431 9.8586 9.8605 10.6905 10.6918 10.8660 10.8766 k = 0.0000 0.0000 0.5698 ( 5179 PWs) bands (ev): -5.4393 -5.4392 -4.1733 -4.1729 -3.6950 -3.6942 -3.4060 -3.4052 -0.8089 -0.8036 -0.1956 -0.1680 0.0601 0.0791 0.1005 0.1329 0.1999 0.2048 0.3053 0.3190 0.3669 0.3770 0.4473 0.4519 0.4910 0.4982 0.5279 0.5458 0.5981 0.6568 0.6746 0.7057 1.5440 1.5598 2.4532 2.4558 3.2136 3.2191 3.8107 3.8249 4.4865 4.4917 4.7119 4.7145 5.1303 5.1323 5.2290 5.2296 5.9486 5.9487 6.5445 6.5478 9.3226 9.3276 9.7088 9.7107 9.8201 9.8216 10.6831 10.6842 10.8672 10.8773 k = 0.0000 0.0000 0.5902 ( 5175 PWs) bands (ev): -5.3926 -5.3925 -4.2149 -4.2145 -3.7081 -3.7073 -3.4268 -3.4260 -0.7718 -0.7643 -0.2078 -0.1797 0.0602 0.0764 0.1029 0.1320 0.1972 0.2012 0.2974 0.3193 0.3654 0.3780 0.4413 0.4541 0.4931 0.4960 0.5247 0.5414 0.5925 0.6488 0.6652 0.6969 1.5239 1.5414 2.4787 2.4821 3.1100 3.1136 3.8189 3.8320 4.5530 4.5590 4.8318 4.8354 5.1260 5.1288 5.2551 5.2576 5.9921 5.9925 6.5300 6.5334 9.3590 9.3644 9.6714 9.6729 9.7824 9.7835 10.6739 10.6745 10.8705 10.8803 k = 0.0000 0.0000 0.6105 ( 5175 PWs) bands (ev): -5.3453 -5.3452 -4.2564 -4.2560 -3.7195 -3.7186 -3.4485 -3.4476 -0.7357 -0.7258 -0.2201 -0.1917 0.0604 0.0740 0.1052 0.1312 0.1950 0.1981 0.2891 0.3191 0.3646 0.3785 0.4356 0.4560 0.4942 0.4954 0.5217 0.5373 0.5875 0.6409 0.6551 0.6864 1.5103 1.5296 2.5090 2.5131 3.0048 3.0064 3.8135 3.8251 4.6151 4.6214 4.9495 4.9550 5.1441 5.1474 5.2770 5.2821 6.0348 6.0356 6.5164 6.5196 9.3847 9.3905 9.6279 9.6291 9.7501 9.7509 10.6608 10.6610 10.8758 10.8852 k = 0.0000 0.0000 0.6309 ( 5174 PWs) bands (ev): -5.2974 -5.2973 -4.2977 -4.2974 -3.7290 -3.7281 -3.4707 -3.4698 -0.7008 -0.6884 -0.2327 -0.2039 0.0605 0.0718 0.1075 0.1304 0.1934 0.1955 0.2807 0.3181 0.3646 0.3787 0.4302 0.4574 0.4927 0.4977 0.5191 0.5335 0.5830 0.6331 0.6444 0.6745 1.5036 1.5247 2.5439 2.5484 2.8992 2.8994 3.7950 3.8050 4.6695 4.6754 5.0616 5.0710 5.1858 5.1891 5.2959 5.3057 6.0762 6.0774 6.5036 6.5067 9.3923 9.3983 9.5779 9.5787 9.7306 9.7313 10.6402 10.6419 10.8823 10.8915 k = 0.0000 0.0000 0.6512 ( 5178 PWs) bands (ev): -5.2491 -5.2490 -4.3391 -4.3387 -3.7365 -3.7356 -3.4935 -3.4924 -0.6670 -0.6521 -0.2457 -0.2164 0.0607 0.0699 0.1098 0.1298 0.1924 0.1934 0.2723 0.3159 0.3655 0.3785 0.4252 0.4584 0.4917 0.5000 0.5169 0.5302 0.5789 0.6253 0.6334 0.6613 1.5042 1.5271 2.5830 2.5877 2.7930 2.7951 3.7645 3.7729 4.7163 4.7213 5.1595 5.1761 5.2484 5.2513 5.3180 5.3358 6.1159 6.1175 6.4916 6.4945 9.3757 9.3813 9.5213 9.5218 9.7306 9.7315 10.6104 10.6140 10.8807 10.8815 k = 0.0000 0.0000 0.6716 ( 5174 PWs) bands (ev): -5.2006 -5.2005 -4.3805 -4.3801 -3.7421 -3.7411 -3.5164 -3.5154 -0.6345 -0.6171 -0.2590 -0.2292 0.0610 0.0682 0.1121 0.1293 0.1919 0.1921 0.2641 0.3124 0.3671 0.3782 0.4208 0.4590 0.4912 0.5019 0.5153 0.5273 0.5752 0.6176 0.6225 0.6477 1.5122 1.5367 2.6258 2.6304 2.6888 2.6927 3.7236 3.7304 4.7578 4.7617 5.2244 5.2458 5.3259 5.3284 5.3663 5.3898 6.1536 6.1557 6.4803 6.4831 9.3361 9.3413 9.4584 9.4586 9.7498 9.7512 10.5715 10.5765 10.8531 10.8567 k = 0.0000 0.0000 0.6919 ( 5164 PWs) bands (ev): -5.1518 -5.1517 -4.4220 -4.4217 -3.7456 -3.7446 -3.5394 -3.5383 -0.6034 -0.5835 -0.2727 -0.2423 0.0612 0.0669 0.1143 0.1290 0.1910 0.1925 0.2560 0.3073 0.3695 0.3780 0.4168 0.4589 0.4911 0.5031 0.5145 0.5247 0.5718 0.6097 0.6119 0.6345 1.5277 1.5534 2.5854 2.5917 2.6731 2.6782 3.6742 3.6795 4.7968 4.7996 5.2502 5.2668 5.4123 5.4136 5.4536 5.4727 6.1891 6.1917 6.4698 6.4723 9.2811 9.2857 9.3902 9.3902 9.7821 9.7840 10.5260 10.5318 10.8351 10.8422 k = 0.0000 0.0000 0.7123 ( 5160 PWs) bands (ev): -5.1031 -5.1030 -4.4638 -4.4635 -3.7470 -3.7459 -3.5623 -3.5611 -0.5737 -0.5515 -0.2869 -0.2560 0.0614 0.0658 0.1164 0.1289 0.1907 0.1937 0.2483 0.3005 0.3727 0.3782 0.4132 0.4579 0.4915 0.5034 0.5144 0.5224 0.5688 0.6013 0.6019 0.6225 1.5504 1.5770 2.4861 2.4943 2.7231 2.7280 3.6180 3.6221 4.8350 4.8369 5.2543 5.2664 5.5022 5.5022 5.5505 5.5656 6.2222 6.2254 6.4598 6.4619 9.2182 9.2224 9.3181 9.3185 9.8219 9.8244 10.4771 10.4832 10.8246 10.8345 k = 0.0000 0.0000 0.7326 ( 5160 PWs) bands (ev): -5.0544 -5.0543 -4.5059 -4.5057 -3.7462 -3.7451 -3.5846 -3.5834 -0.5454 -0.5211 -0.3016 -0.2702 0.0615 0.0649 0.1184 0.1288 0.1910 0.1959 0.2409 0.2923 0.3768 0.3789 0.4098 0.4560 0.4923 0.5031 0.5147 0.5203 0.5661 0.5929 0.5930 0.6125 1.5802 1.6073 2.3896 2.3998 2.7764 2.7811 3.5569 3.5598 4.8734 4.8744 5.2474 5.2567 5.5899 5.5913 5.6433 5.6559 6.2528 6.2566 6.4502 6.4518 9.1534 9.1573 9.2449 9.2454 9.8659 9.8686 10.4275 10.4334 10.8191 10.8311 k = 0.0000 0.0000 0.7530 ( 5166 PWs) bands (ev): -5.0059 -5.0058 -4.5485 -4.5483 -3.7433 -3.7422 -3.6063 -3.6051 -0.5186 -0.4923 -0.3168 -0.2850 0.0617 0.0643 0.1203 0.1288 0.1919 0.1990 0.2339 0.2829 0.3800 0.3817 0.4065 0.4527 0.4934 0.5026 0.5146 0.5181 0.5639 0.5852 0.5853 0.6044 1.6168 1.6440 2.2965 2.3088 2.8327 2.8372 3.4923 3.4941 4.9122 4.9124 5.2334 5.2408 5.6731 5.6757 5.7270 5.7382 6.2809 6.2852 6.4407 6.4417 9.0915 9.0950 9.1732 9.1738 9.9118 9.9149 10.3784 10.3840 10.8165 10.8303 k = 0.0000 0.0000 0.7733 ( 5166 PWs) bands (ev): -4.9577 -4.9576 -4.5915 -4.5913 -3.7382 -3.7371 -3.6271 -3.6259 -0.4931 -0.4651 -0.3327 -0.3005 0.0618 0.0638 0.1220 0.1288 0.1935 0.2033 0.2274 0.2727 0.3816 0.3875 0.4034 0.4480 0.4950 0.5023 0.5138 0.5157 0.5623 0.5789 0.5795 0.5977 1.6600 1.6869 2.2071 2.2214 2.8917 2.8958 3.4254 3.4263 4.9506 4.9511 5.2139 5.2200 5.7484 5.7524 5.7985 5.8087 6.3064 6.3112 6.4312 6.4314 9.0366 9.0396 9.1063 9.1069 9.9586 9.9619 10.3304 10.3357 10.8158 10.8310 k = 0.0000 0.0000 0.7937 ( 5158 PWs) bands (ev): -4.9099 -4.9098 -4.6351 -4.6350 -3.7310 -3.7298 -3.6468 -3.6455 -0.4690 -0.4396 -0.3494 -0.3169 0.0619 0.0634 0.1236 0.1287 0.1957 0.2087 0.2213 0.2622 0.3837 0.3941 0.4003 0.4419 0.4970 0.5025 0.5122 0.5132 0.5614 0.5736 0.5762 0.5919 1.7094 1.7356 2.1218 2.1381 2.9533 2.9570 3.3572 3.3572 4.9888 4.9899 5.1900 5.1950 5.8129 5.8182 5.8551 5.8646 6.3292 6.3343 6.4207 6.4215 8.9921 8.9946 9.0474 9.0478 10.0057 10.0092 10.2834 10.2884 10.8163 10.8328 k = 0.0000 0.0000 0.8140 ( 5162 PWs) bands (ev): -4.8625 -4.8625 -4.6793 -4.6792 -3.7217 -3.7205 -3.6651 -3.6638 -0.4463 -0.4157 -0.3668 -0.3343 0.0621 0.0631 0.1250 0.1283 0.1985 0.2153 0.2156 0.2516 0.3860 0.3972 0.4015 0.4345 0.4992 0.5031 0.5101 0.5104 0.5614 0.5694 0.5754 0.5869 1.7649 1.7899 2.0407 2.0591 3.0170 3.0202 3.2877 3.2885 5.0265 5.0282 5.1624 5.1666 5.8639 5.8704 5.8945 5.9036 6.3495 6.3546 6.4092 6.4111 8.9611 8.9631 8.9996 8.9998 10.0525 10.0563 10.2371 10.2418 10.8180 10.8354 k = 0.0000 0.0000 0.8344 ( 5154 PWs) bands (ev): -4.8158 -4.8158 -4.7242 -4.7241 -3.7104 -3.7091 -3.6819 -3.6807 -0.4247 -0.3933 -0.3851 -0.3527 0.0623 0.0628 0.1262 0.1279 0.2020 0.2106 0.2231 0.2414 0.3885 0.3942 0.4095 0.4264 0.5018 0.5043 0.5075 0.5079 0.5621 0.5662 0.5765 0.5826 1.8260 1.8497 1.9642 1.9845 3.0827 3.0854 3.2185 3.2199 5.0632 5.0655 5.1317 5.1351 5.8991 5.9066 5.9152 5.9239 6.3673 6.3720 6.3968 6.3998 8.9457 8.9471 8.9656 8.9659 10.0991 10.1030 10.1911 10.1956 10.8210 10.8313 k = 0.0000 0.0000 0.8547 ( 5152 PWs) bands (ev): -4.7697 -4.7697 -4.7696 -4.7696 -3.6971 -3.6971 -3.6958 -3.6958 -0.4044 -0.4044 -0.3723 -0.3723 0.0625 0.0625 0.1271 0.1271 0.2060 0.2060 0.2318 0.2318 0.3913 0.3913 0.4179 0.4179 0.5046 0.5046 0.5059 0.5059 0.5638 0.5638 0.5790 0.5790 1.8925 1.8925 1.9146 1.9146 3.1500 3.1500 3.1521 3.1521 5.0985 5.0985 5.1013 5.1013 5.9167 5.9167 5.9248 5.9248 6.3830 6.3830 6.3870 6.3870 8.9472 8.9472 8.9480 8.9480 10.1452 10.1452 10.1494 10.1494 10.8253 10.8253 k = 0.0000 0.0000 0.8547 ( 5152 PWs) bands (ev): -4.7697 -4.7697 -4.7696 -4.7696 -3.6971 -3.6971 -3.6958 -3.6958 -0.4044 -0.4044 -0.3723 -0.3723 0.0625 0.0625 0.1271 0.1271 0.2060 0.2060 0.2318 0.2318 0.3913 0.3913 0.4179 0.4179 0.5046 0.5046 0.5059 0.5059 0.5638 0.5638 0.5790 0.5790 1.8925 1.8925 1.9146 1.9146 3.1500 3.1500 3.1521 3.1521 5.0985 5.0985 5.1013 5.1013 5.9167 5.9167 5.9248 5.9248 6.3830 6.3830 6.3870 6.3870 8.9472 8.9472 8.9480 8.9480 10.1452 10.1452 10.1494 10.1494 10.8253 10.8253 k =-0.0118 0.0164 0.8547 ( 5166 PWs) bands (ev): -4.7698 -4.7698 -4.7698 -4.7698 -3.6975 -3.6975 -3.6962 -3.6962 -0.4040 -0.4040 -0.3720 -0.3720 0.0623 0.0623 0.1276 0.1276 0.2024 0.2024 0.2368 0.2368 0.3905 0.3905 0.4195 0.4195 0.4983 0.4983 0.5129 0.5129 0.5635 0.5635 0.5810 0.5810 1.8927 1.8927 1.9148 1.9148 3.1504 3.1504 3.1526 3.1526 5.0947 5.0947 5.0975 5.0975 5.9157 5.9157 5.9239 5.9239 6.3787 6.3787 6.3830 6.3830 8.9501 8.9501 8.9510 8.9510 10.1531 10.1531 10.1573 10.1573 10.8235 10.8235 k =-0.0236 0.0328 0.8547 ( 5168 PWs) bands (ev): -4.7704 -4.7704 -4.7704 -4.7704 -3.6987 -3.6987 -3.6975 -3.6975 -0.4028 -0.4028 -0.3709 -0.3709 0.0617 0.0617 0.1287 0.1287 0.1959 0.1959 0.2477 0.2477 0.3885 0.3885 0.4239 0.4239 0.4925 0.4925 0.5208 0.5208 0.5637 0.5637 0.5866 0.5866 1.8934 1.8934 1.9154 1.9154 3.1518 3.1518 3.1544 3.1544 5.0836 5.0836 5.0863 5.0863 5.9128 5.9128 5.9210 5.9210 6.3660 6.3660 6.3712 6.3712 8.9590 8.9590 8.9601 8.9601 10.1764 10.1764 10.1805 10.1805 10.8182 10.8182 k =-0.0355 0.0492 0.8547 ( 5176 PWs) bands (ev): -4.7714 -4.7714 -4.7714 -4.7714 -3.7007 -3.7007 -3.6994 -3.6994 -0.4009 -0.4009 -0.3691 -0.3691 0.0609 0.0609 0.1301 0.1301 0.1905 0.1905 0.2605 0.2605 0.3864 0.3864 0.4298 0.4298 0.4880 0.4880 0.5278 0.5278 0.5665 0.5665 0.5950 0.5950 1.8944 1.8944 1.9163 1.9163 3.1542 3.1542 3.1572 3.1572 5.0653 5.0653 5.0678 5.0678 5.9080 5.9080 5.9163 5.9163 6.3455 6.3455 6.3518 6.3518 8.9738 8.9738 8.9752 8.9752 10.2139 10.2139 10.2178 10.2178 10.8087 10.8087 k =-0.0473 0.0656 0.8547 ( 5170 PWs) bands (ev): -4.7729 -4.7729 -4.7728 -4.7728 -3.7033 -3.7033 -3.7020 -3.7020 -0.3984 -0.3984 -0.3669 -0.3669 0.0600 0.0600 0.1307 0.1307 0.1874 0.1874 0.2740 0.2740 0.3848 0.3848 0.4362 0.4362 0.4850 0.4850 0.5325 0.5325 0.5740 0.5740 0.6063 0.6063 1.8959 1.8959 1.9176 1.9176 3.1575 3.1575 3.1610 3.1610 5.0401 5.0401 5.0425 5.0425 5.9014 5.9014 5.9098 5.9098 6.3182 6.3182 6.3257 6.3257 8.9943 8.9943 8.9960 8.9960 10.2637 10.2637 10.2672 10.2672 10.7946 10.7946 k =-0.0591 0.0820 0.8547 ( 5160 PWs) bands (ev): -4.7749 -4.7749 -4.7748 -4.7748 -3.7063 -3.7063 -3.7050 -3.7050 -0.3954 -0.3954 -0.3641 -0.3641 0.0591 0.0591 0.1302 0.1302 0.1873 0.1873 0.2870 0.2870 0.3840 0.3840 0.4419 0.4419 0.4842 0.4842 0.5346 0.5346 0.5868 0.5868 0.6210 0.6210 1.8979 1.8979 1.9193 1.9193 3.1617 3.1617 3.1658 3.1658 5.0084 5.0084 5.0106 5.0106 5.8929 5.8929 5.9015 5.9015 6.2850 6.2850 6.2938 6.2938 9.0204 9.0204 9.0223 9.0223 10.3227 10.3227 10.3257 10.3257 10.7753 10.7753 k =-0.0709 0.0984 0.8547 ( 5164 PWs) bands (ev): -4.7774 -4.7774 -4.7773 -4.7773 -3.7095 -3.7095 -3.7082 -3.7082 -0.3921 -0.3921 -0.3611 -0.3611 0.0584 0.0584 0.1283 0.1283 0.1898 0.1898 0.2989 0.2989 0.3843 0.3843 0.4459 0.4459 0.4860 0.4860 0.5348 0.5348 0.6045 0.6045 0.6396 0.6396 1.9003 1.9003 1.9215 1.9215 3.1669 3.1669 3.1716 3.1716 4.9707 4.9707 4.9728 4.9728 5.8826 5.8826 5.8915 5.8915 6.2470 6.2470 6.2571 6.2571 9.0516 9.0516 9.0538 9.0538 10.3869 10.3869 10.3896 10.3896 10.7508 10.7508 k =-0.0828 0.1147 0.8547 ( 5168 PWs) bands (ev): -4.7807 -4.7807 -4.7806 -4.7806 -3.7127 -3.7127 -3.7114 -3.7114 -0.3885 -0.3885 -0.3579 -0.3579 0.0579 0.0579 0.1254 0.1254 0.1942 0.1942 0.3090 0.3090 0.3860 0.3860 0.4476 0.4476 0.4903 0.4903 0.5343 0.5343 0.6265 0.6265 0.6623 0.6623 1.9032 1.9032 1.9241 1.9241 3.1729 3.1729 3.1782 3.1782 4.9277 4.9277 4.9297 4.9297 5.8706 5.8706 5.8799 5.8799 6.2054 6.2054 6.2168 6.2168 9.0876 9.0876 9.0899 9.0899 10.4505 10.4505 10.4534 10.4534 10.7226 10.7226 k =-0.0946 0.1311 0.8547 ( 5170 PWs) bands (ev): -4.7848 -4.7848 -4.7847 -4.7847 -3.7156 -3.7156 -3.7143 -3.7143 -0.3850 -0.3850 -0.3546 -0.3546 0.0576 0.0576 0.1220 0.1220 0.1997 0.1997 0.3167 0.3167 0.3891 0.3891 0.4477 0.4477 0.4960 0.4960 0.5336 0.5336 0.6528 0.6528 0.6894 0.6894 1.9068 1.9068 1.9272 1.9272 3.1798 3.1798 3.1856 3.1856 4.8800 4.8800 4.8823 4.8823 5.8569 5.8569 5.8668 5.8668 6.1613 6.1613 6.1741 6.1741 9.1276 9.1276 9.1301 9.1301 10.5039 10.5039 10.5079 10.5079 10.6955 10.6955 k =-0.1064 0.1475 0.8547 ( 5166 PWs) bands (ev): -4.7897 -4.7897 -4.7896 -4.7896 -3.7180 -3.7180 -3.7167 -3.7167 -0.3814 -0.3814 -0.3514 -0.3514 0.0576 0.0576 0.1186 0.1186 0.2058 0.2058 0.3221 0.3221 0.3935 0.3935 0.4470 0.4470 0.5020 0.5020 0.5328 0.5328 0.6834 0.6834 0.7206 0.7206 1.9110 1.9110 1.9310 1.9310 3.1874 3.1874 3.1937 3.1937 4.8286 4.8286 4.8311 4.8311 5.8415 5.8415 5.8521 5.8521 6.1156 6.1156 6.1299 6.1299 9.1708 9.1708 9.1734 9.1734 10.5298 10.5298 10.5357 10.5357 10.6833 10.6833 k =-0.1182 0.1639 0.8547 ( 5164 PWs) bands (ev): -4.7957 -4.7957 -4.7955 -4.7955 -3.7195 -3.7195 -3.7182 -3.7182 -0.3781 -0.3781 -0.3484 -0.3484 0.0579 0.0579 0.1153 0.1153 0.2118 0.2118 0.3255 0.3255 0.3988 0.3988 0.4459 0.4459 0.5076 0.5076 0.5322 0.5322 0.7178 0.7178 0.7556 0.7556 1.9161 1.9161 1.9355 1.9355 3.1956 3.1956 3.2024 3.2024 4.7743 4.7743 4.7773 4.7773 5.8243 5.8243 5.8360 5.8360 6.0694 6.0694 6.0853 6.0853 9.2163 9.2163 9.2189 9.2189 10.5134 10.5134 10.5218 10.5218 10.6957 10.6957 k =-0.1301 0.1803 0.8547 ( 5166 PWs) bands (ev): -4.8026 -4.8026 -4.8024 -4.8024 -3.7199 -3.7199 -3.7186 -3.7186 -0.3752 -0.3752 -0.3456 -0.3456 0.0583 0.0583 0.1121 0.1121 0.2177 0.2177 0.3273 0.3273 0.4043 0.4043 0.4448 0.4448 0.5123 0.5123 0.5320 0.5320 0.7556 0.7556 0.7936 0.7936 1.9222 1.9222 1.9409 1.9409 3.2044 3.2044 3.2116 3.2116 4.7182 4.7182 4.7217 4.7217 5.8053 5.8053 5.8184 5.8184 6.0234 6.0234 6.0413 6.0413 9.2626 9.2626 9.2654 9.2654 10.4699 10.4699 10.4791 10.4791 10.7149 10.7149 k =-0.1301 0.1803 0.8547 ( 5166 PWs) bands (ev): -4.8026 -4.8026 -4.8024 -4.8024 -3.7199 -3.7199 -3.7186 -3.7186 -0.3752 -0.3752 -0.3456 -0.3456 0.0583 0.0583 0.1121 0.1121 0.2177 0.2177 0.3273 0.3273 0.4043 0.4043 0.4448 0.4448 0.5123 0.5123 0.5320 0.5320 0.7556 0.7556 0.7936 0.7936 1.9222 1.9222 1.9409 1.9409 3.2044 3.2044 3.2116 3.2116 4.7182 4.7182 4.7217 4.7217 5.8053 5.8053 5.8184 5.8184 6.0234 6.0234 6.0413 6.0413 9.2626 9.2626 9.2654 9.2654 10.4699 10.4699 10.4791 10.4791 10.7149 10.7149 k =-0.1385 0.1920 0.8404 ( 5166 PWs) bands (ev): -4.8326 -4.8324 -4.7842 -4.7840 -3.7360 -3.7348 -3.7019 -3.7006 -0.3834 -0.3656 -0.3519 -0.3342 0.0579 0.0596 0.1068 0.1136 0.2188 0.2243 0.3249 0.3310 0.4065 0.4097 0.4428 0.4458 0.5143 0.5151 0.5301 0.5347 0.7793 0.7844 0.8223 0.8268 1.8909 1.9093 1.9671 1.9846 3.1682 3.1761 3.2538 3.2609 4.6538 4.6566 4.7021 4.7042 5.7651 5.7704 5.8123 5.8157 5.9693 5.9748 6.0319 6.0410 9.2942 9.2972 9.3015 9.3042 10.4023 10.4079 10.4657 10.4709 10.7217 10.7253 k =-0.1469 0.2036 0.8260 ( 5160 PWs) bands (ev): -4.8617 -4.8615 -4.7684 -4.7682 -3.7519 -3.7507 -3.6810 -3.6797 -0.3919 -0.3677 -0.3480 -0.3240 0.0575 0.0609 0.1019 0.1156 0.2195 0.2302 0.3224 0.3344 0.4083 0.4149 0.4410 0.4472 0.5152 0.5171 0.5295 0.5375 0.7977 0.8088 0.8581 0.8662 1.8671 1.8848 2.0126 2.0289 3.1340 3.1425 3.3018 3.3087 4.5887 4.5923 4.6837 4.6858 5.7088 5.7141 5.7931 5.7938 5.9267 5.9281 6.0409 6.0513 9.3301 9.3334 9.3430 9.3458 10.3267 10.3325 10.4622 10.4674 10.7167 10.7244 k =-0.1553 0.2153 0.8116 ( 5163 PWs) bands (ev): -4.8898 -4.8897 -4.7552 -4.7549 -3.7676 -3.7664 -3.6574 -3.6561 -0.4006 -0.3759 -0.3392 -0.3149 0.0571 0.0620 0.0977 0.1178 0.2198 0.2355 0.3199 0.3374 0.4097 0.4195 0.4395 0.4491 0.5147 0.5186 0.5303 0.5403 0.8111 0.8278 0.9009 0.9105 1.8516 1.8681 2.0584 2.0737 3.1017 3.1109 3.3476 3.3544 4.5243 4.5288 4.6637 4.6658 5.6434 5.6484 5.7390 5.7438 5.9059 5.9095 6.0542 6.0653 9.3671 9.3705 9.3862 9.3894 10.2481 10.2541 10.4629 10.4684 10.7000 10.7088 k =-0.1637 0.2269 0.7972 ( 5161 PWs) bands (ev): -4.9169 -4.9167 -4.7445 -4.7442 -3.7830 -3.7818 -3.6312 -3.6300 -0.4094 -0.3851 -0.3306 -0.3069 0.0568 0.0630 0.0942 0.1205 0.2197 0.2402 0.3177 0.3401 0.4108 0.4234 0.4380 0.4514 0.5132 0.5197 0.5320 0.5430 0.8196 0.8416 0.9487 0.9588 1.8451 1.8602 2.1044 2.1185 3.0716 3.0815 3.3905 3.3971 4.4618 4.4671 4.6421 4.6442 5.5720 5.5766 5.6654 5.6719 5.9010 5.9067 6.0696 6.0812 9.4001 9.4032 9.4313 9.4348 10.1708 10.1768 10.4685 10.4748 10.6725 10.6819 k =-0.1721 0.2386 0.7829 ( 5152 PWs) bands (ev): -4.9428 -4.9426 -4.7361 -4.7357 -3.7979 -3.7968 -3.6029 -3.6017 -0.4183 -0.3946 -0.3228 -0.3000 0.0565 0.0636 0.0915 0.1234 0.2194 0.2442 0.3157 0.3425 0.4117 0.4268 0.4367 0.4539 0.5115 0.5206 0.5340 0.5458 0.8231 0.8505 1.0004 1.0103 1.8481 1.8613 2.1502 2.1633 3.0438 3.0542 3.4294 3.4358 4.4019 4.4082 4.6188 4.6208 5.4965 5.5008 5.5835 5.5906 5.9018 5.9086 6.0860 6.0980 9.4228 9.4254 9.4781 9.4818 10.0998 10.1058 10.4792 10.4870 10.6359 10.6458 k =-0.1805 0.2503 0.7685 ( 5152 PWs) bands (ev): -4.9675 -4.9674 -4.7297 -4.7294 -3.8124 -3.8113 -3.5728 -3.5716 -0.4274 -0.4044 -0.3158 -0.2940 0.0562 0.0639 0.0896 0.1267 0.2186 0.2476 0.3140 0.3446 0.4125 0.4297 0.4355 0.4564 0.5097 0.5211 0.5361 0.5486 0.8218 0.8545 1.0550 1.0645 1.8606 1.8717 2.1956 2.2077 3.0183 3.0293 3.4633 3.4695 4.3457 4.3529 4.5936 4.5955 5.4183 5.4223 5.4987 5.5057 5.9042 5.9115 6.1029 6.1153 9.4285 9.4311 9.5253 9.5293 10.0413 10.0470 10.4929 10.5027 10.5949 10.6050 k =-0.1889 0.2619 0.7541 ( 5149 PWs) bands (ev): -4.9910 -4.9909 -4.7252 -4.7248 -3.8264 -3.8253 -3.5412 -3.5401 -0.4365 -0.4144 -0.3095 -0.2888 0.0559 0.0637 0.0885 0.1302 0.2177 0.2504 0.3127 0.3464 0.4132 0.4317 0.4350 0.4586 0.5082 0.5213 0.5382 0.5515 0.8158 0.8536 1.1120 1.1208 1.8821 1.8913 2.2404 2.2515 2.9953 3.0069 3.4911 3.4971 4.2938 4.3021 4.5664 4.5681 5.3384 5.3423 5.4142 5.4208 5.9066 5.9143 6.1203 6.1329 9.4119 9.4149 9.5712 9.5758 10.0009 10.0061 10.4944 10.5034 10.5710 10.5771 k =-0.1973 0.2736 0.7397 ( 5148 PWs) bands (ev): -5.0132 -5.0131 -4.7223 -4.7219 -3.8398 -3.8387 -3.5086 -3.5075 -0.4458 -0.4245 -0.3039 -0.2844 0.0557 0.0633 0.0881 0.1339 0.2164 0.2526 0.3117 0.3478 0.4136 0.4314 0.4368 0.4605 0.5069 0.5214 0.5402 0.5545 0.8058 0.8484 1.1707 1.1789 1.9120 1.9194 2.2843 2.2944 2.9749 2.9869 3.5117 3.5176 4.2469 4.2562 4.5367 4.5381 5.2577 5.2617 5.3323 5.3383 5.9086 5.9165 6.1378 6.1507 9.3717 9.3755 9.6143 9.6198 9.9805 9.9849 10.4563 10.4631 10.5896 10.5948 k =-0.2057 0.2852 0.7254 ( 5150 PWs) bands (ev): -5.0341 -5.0339 -4.7207 -4.7203 -3.8525 -3.8515 -3.4756 -3.4745 -0.4550 -0.4348 -0.2990 -0.2807 0.0555 0.0627 0.0882 0.1379 0.2150 0.2543 0.3110 0.3488 0.4138 0.4301 0.4396 0.4617 0.5060 0.5213 0.5420 0.5577 0.7925 0.8394 1.2307 1.2381 1.9491 1.9552 2.3269 2.3362 2.9571 2.9695 3.5245 3.5302 4.2050 4.2152 4.5042 4.5053 5.1772 5.1815 5.2554 5.2604 5.9100 5.9181 6.1556 6.1687 9.3119 9.3164 9.6534 9.6598 9.9769 9.9806 10.3999 10.4067 10.6291 10.6374 k =-0.2141 0.2969 0.7110 ( 5152 PWs) bands (ev): -5.0535 -5.0534 -4.7202 -4.7198 -3.8646 -3.8636 -3.4425 -3.4415 -0.4642 -0.4450 -0.2946 -0.2775 0.0552 0.0622 0.0884 0.1421 0.2135 0.2556 0.3107 0.3496 0.4134 0.4289 0.4428 0.4624 0.5055 0.5211 0.5437 0.5610 0.7768 0.8275 1.2912 1.2979 1.9923 1.9977 2.3681 2.3766 2.9419 2.9546 3.5295 3.5350 4.1672 4.1782 4.4685 4.4692 5.0987 5.1033 5.1849 5.1891 5.9107 5.9190 6.1735 6.1867 9.2388 9.2439 9.6875 9.6948 9.9846 9.9875 10.3395 10.3461 10.6800 10.6903 k =-0.2225 0.3085 0.6966 ( 5150 PWs) bands (ev): -5.0716 -5.0715 -4.7206 -4.7202 -3.8758 -3.8749 -3.4098 -3.4088 -0.4733 -0.4552 -0.2906 -0.2749 0.0550 0.0619 0.0888 0.1464 0.2119 0.2566 0.3107 0.3501 0.4123 0.4279 0.4464 0.4624 0.5055 0.5207 0.5451 0.5647 0.7596 0.8133 1.3518 1.3577 2.0403 2.0456 2.4076 2.4155 2.9295 2.9425 3.5272 3.5324 4.1320 4.1436 4.4291 4.4296 5.0241 5.0291 5.1219 5.1255 5.9108 5.9192 6.1915 6.2048 9.1587 9.1641 9.7163 9.7243 9.9983 10.0006 10.2790 10.2852 10.7388 10.7505 k =-0.2309 0.3202 0.6823 ( 5155 PWs) bands (ev): -5.0882 -5.0881 -4.7216 -4.7212 -3.8863 -3.8854 -3.3780 -3.3771 -0.4822 -0.4652 -0.2871 -0.2727 0.0548 0.0618 0.0890 0.1509 0.2102 0.2572 0.3108 0.3503 0.4100 0.4273 0.4503 0.4621 0.5057 0.5202 0.5463 0.5686 0.7417 0.7976 1.4117 1.4168 2.0917 2.0975 2.4451 2.4524 2.9199 2.9330 3.5192 3.5241 4.0971 4.1090 4.3856 4.3864 4.9559 4.9613 5.0670 5.0703 5.9104 5.9189 6.2095 6.2228 9.0759 9.0816 9.7397 9.7483 10.0145 10.0162 10.2201 10.2258 10.8036 10.8163 k =-0.2394 0.3319 0.6679 ( 5159 PWs) bands (ev): -5.1033 -5.1032 -4.7231 -4.7226 -3.8960 -3.8950 -3.3475 -3.3467 -0.4908 -0.4749 -0.2840 -0.2710 0.0545 0.0620 0.0890 0.1554 0.2086 0.2576 0.3112 0.3503 0.4066 0.4272 0.4541 0.4618 0.5062 0.5196 0.5474 0.5729 0.7237 0.7812 1.4702 1.4745 2.1452 2.1519 2.4804 2.4873 2.9131 2.9262 3.5075 3.5118 4.0598 4.0718 4.3384 4.3399 4.8959 4.9016 5.0205 5.0239 5.9095 5.9180 6.2273 6.2406 8.9939 8.9996 9.7582 9.7672 10.0307 10.0322 10.1642 10.1694 10.8724 10.8860 k =-0.2478 0.3435 0.6535 ( 5163 PWs) bands (ev): -5.1169 -5.1168 -4.7248 -4.7244 -3.9047 -3.9038 -3.3189 -3.3181 -0.4990 -0.4843 -0.2812 -0.2696 0.0543 0.0624 0.0887 0.1601 0.2071 0.2579 0.3118 0.3501 0.4022 0.4273 0.4568 0.4627 0.5068 0.5189 0.5482 0.5774 0.7064 0.7645 1.5264 1.5299 2.1994 2.2072 2.5133 2.5197 2.9091 2.9221 3.4943 3.4980 4.0180 4.0299 4.2886 4.2907 4.8452 4.8514 4.9826 4.9863 5.9082 5.9168 6.2448 6.2580 8.9150 8.9206 9.7725 9.7816 10.0454 10.0471 10.1126 10.1170 10.9437 10.9579 k =-0.2562 0.3552 0.6391 ( 5161 PWs) bands (ev): -5.1289 -5.1288 -4.7267 -4.7262 -3.9125 -3.9116 -3.2925 -3.2918 -0.5066 -0.4930 -0.2787 -0.2686 0.0541 0.0632 0.0882 0.1647 0.2057 0.2580 0.3126 0.3498 0.3971 0.4277 0.4571 0.4664 0.5076 0.5179 0.5489 0.5822 0.6902 0.7481 1.5797 1.5823 2.2526 2.2616 2.5436 2.5496 2.9079 2.9208 3.4820 3.4848 3.9705 3.9820 4.2376 4.2402 4.8042 4.8106 4.9531 4.9570 5.9067 5.9154 6.2617 6.2748 8.8412 8.8465 9.7832 9.7922 10.0539 10.0582 10.0694 10.0719 11.0157 11.0304 k =-0.2646 0.3668 0.6248 ( 5158 PWs) bands (ev): -5.1394 -5.1393 -4.7286 -4.7281 -3.9193 -3.9184 -3.2687 -3.2680 -0.5136 -0.5010 -0.2765 -0.2678 0.0539 0.0642 0.0873 0.1693 0.2044 0.2581 0.3136 0.3493 0.3914 0.4280 0.4564 0.4712 0.5083 0.5168 0.5495 0.5873 0.6755 0.7324 1.6288 1.6307 2.3032 2.3134 2.5709 2.5767 2.9094 2.9221 3.4726 3.4746 3.9171 3.9279 4.1875 4.1905 4.7721 4.7787 4.9312 4.9351 5.9051 5.9138 6.2776 6.2905 8.7739 8.7788 9.7909 9.7997 10.0213 10.0257 10.0714 10.0728 11.0865 11.1018 k =-0.2730 0.3785 0.6104 ( 5156 PWs) bands (ev): -5.1483 -5.1482 -4.7303 -4.7299 -3.9251 -3.9242 -3.2479 -3.2473 -0.5198 -0.5082 -0.2746 -0.2673 0.0538 0.0654 0.0861 0.1736 0.2032 0.2582 0.3148 0.3486 0.3855 0.4283 0.4555 0.4765 0.5090 0.5155 0.5499 0.5925 0.6627 0.7176 1.6729 1.6741 2.3491 2.3606 2.5951 2.6005 2.9133 2.9258 3.4682 3.4693 3.8589 3.8689 4.1405 4.1437 4.7477 4.7542 4.9158 4.9195 5.9035 5.9122 6.2922 6.3048 8.7145 8.7189 9.7962 9.8048 9.9860 9.9898 10.0797 10.0815 11.1543 11.1700 k =-0.2814 0.3901 0.5960 ( 5162 PWs) bands (ev): -5.1556 -5.1555 -4.7319 -4.7314 -3.9299 -3.9290 -3.2303 -3.2298 -0.5251 -0.5143 -0.2729 -0.2670 0.0536 0.0669 0.0847 0.1776 0.2020 0.2582 0.3161 0.3478 0.3797 0.4286 0.4547 0.4818 0.5094 0.5140 0.5502 0.5978 0.6519 0.7041 1.7107 1.7116 2.3889 2.4016 2.6157 2.6208 2.9193 2.9314 3.4706 3.4712 3.7976 3.8066 4.0987 4.1020 4.7296 4.7359 4.9058 4.9090 5.9020 5.9107 6.3050 6.3173 8.6642 8.6680 9.7995 9.8077 9.9566 9.9602 10.0863 10.0884 11.2166 11.2328 k =-0.2898 0.4018 0.5816 ( 5168 PWs) bands (ev): -5.1613 -5.1612 -4.7332 -4.7327 -3.9337 -3.9328 -3.2164 -3.2159 -0.5293 -0.5192 -0.2715 -0.2670 0.0536 0.0684 0.0831 0.1812 0.2009 0.2583 0.3175 0.3469 0.3746 0.4289 0.4540 0.4871 0.5093 0.5125 0.5504 0.6027 0.6435 0.6924 1.7411 1.7423 2.4209 2.4347 2.6324 2.6371 2.9262 2.9381 3.4808 3.4823 3.7357 3.7437 4.0639 4.0672 4.7166 4.7226 4.8998 4.9024 5.9007 5.9094 6.3155 6.3276 8.6241 8.6271 9.8013 9.8091 9.9339 9.9373 10.0912 10.0935 11.2706 11.2873 k =-0.2982 0.4135 0.5673 ( 5172 PWs) bands (ev): -5.1654 -5.1653 -4.7342 -4.7337 -3.9364 -3.9355 -3.2063 -3.2058 -0.5324 -0.5228 -0.2703 -0.2672 0.0535 0.0699 0.0816 0.1841 0.2000 0.2583 0.3189 0.3459 0.3706 0.4290 0.4536 0.4922 0.5077 0.5118 0.5505 0.6069 0.6378 0.6829 1.7635 1.7651 2.4442 2.4590 2.6446 2.6491 2.9329 2.9446 3.5006 3.5032 3.6756 3.6825 4.0378 4.0412 4.7079 4.7136 4.8965 4.8984 5.8997 5.9084 6.3234 6.3353 8.5949 8.5971 9.8021 9.8094 9.9178 9.9213 10.0946 10.0970 11.3130 11.3304 k =-0.3066 0.4251 0.5529 ( 5166 PWs) bands (ev): -5.1679 -5.1677 -4.7348 -4.7343 -3.9380 -3.9371 -3.2002 -3.1997 -0.5343 -0.5251 -0.2692 -0.2676 0.0535 0.0712 0.0803 0.1861 0.1992 0.2584 0.3200 0.3451 0.3681 0.4291 0.4533 0.4970 0.5049 0.5117 0.5506 0.6096 0.6349 0.6764 1.7773 1.7791 2.4583 2.4737 2.6522 2.6563 2.9377 2.9493 3.5305 3.5344 3.6200 3.6259 4.0217 4.0250 4.7029 4.7084 4.8951 4.8963 5.8991 5.9078 6.3283 6.3400 8.5772 8.5787 9.8022 9.8092 9.9083 9.9120 10.0965 10.0990 11.3406 11.3585 k =-0.3150 0.4368 0.5385 ( 5163 PWs) bands (ev): -5.1687 -5.1685 -4.7349 -4.7345 -3.9385 -3.9377 -3.1981 -3.1977 -0.5349 -0.5258 -0.2687 -0.2680 0.0535 0.0717 0.0797 0.1869 0.1989 0.2584 0.3204 0.3447 0.3673 0.4292 0.4532 0.5008 0.5017 0.5117 0.5507 0.6105 0.6340 0.6741 1.7819 1.7838 2.4630 2.4786 2.6547 2.6588 2.9395 2.9510 3.5662 3.5719 3.5756 3.5797 4.0162 4.0195 4.7013 4.7067 4.8948 4.8955 5.8989 5.9076 6.3299 6.3416 8.5714 8.5724 9.8022 9.8090 9.9052 9.9089 10.0972 10.0997 11.3502 11.3684 k =-0.3150 0.4368 0.5385 ( 5163 PWs) bands (ev): -5.1687 -5.1685 -4.7349 -4.7345 -3.9385 -3.9377 -3.1981 -3.1977 -0.5349 -0.5258 -0.2687 -0.2680 0.0535 0.0717 0.0797 0.1869 0.1989 0.2584 0.3204 0.3447 0.3673 0.4292 0.4532 0.5008 0.5017 0.5117 0.5507 0.6105 0.6340 0.6741 1.7819 1.7838 2.4630 2.4786 2.6547 2.6588 2.9395 2.9510 3.5662 3.5719 3.5756 3.5797 4.0162 4.0195 4.7013 4.7067 4.8948 4.8955 5.8989 5.9076 6.3299 6.3416 8.5714 8.5724 9.8022 9.8090 9.9052 9.9089 10.0972 10.0997 11.3502 11.3684 k =-0.3065 0.4250 0.5240 ( 5161 PWs) bands (ev): -5.1889 -5.1888 -4.6949 -4.6944 -3.9508 -3.9499 -3.1963 -3.1958 -0.5522 -0.5460 -0.2613 -0.2604 0.0511 0.0686 0.0798 0.1904 0.1915 0.2594 0.3174 0.3461 0.3677 0.4307 0.4497 0.5016 0.5023 0.5102 0.5536 0.6130 0.6383 0.6728 1.7693 1.7705 2.4469 2.4619 2.7373 2.7409 2.9119 2.9238 3.5245 3.5371 3.5572 3.5624 3.9413 3.9450 4.6954 4.7034 4.9103 4.9133 5.9163 5.9245 6.3442 6.3549 8.6109 8.6117 9.8325 9.8371 9.9903 9.9945 10.1036 10.1063 11.4328 11.4489 k =-0.2980 0.4132 0.5094 ( 5165 PWs) bands (ev): -5.2127 -5.2126 -4.6535 -4.6530 -3.9575 -3.9567 -3.1946 -3.1941 -0.5716 -0.5683 -0.2538 -0.2528 0.0485 0.0658 0.0805 0.1810 0.1953 0.2609 0.3147 0.3466 0.3678 0.4326 0.4457 0.5004 0.5051 0.5090 0.5569 0.6158 0.6434 0.6717 1.7472 1.7475 2.4320 2.4462 2.8316 2.8347 2.8864 2.8985 3.4862 3.4990 3.5375 3.5430 3.8669 3.8711 4.6905 4.7002 4.9364 4.9410 5.9282 5.9358 6.3539 6.3636 8.6518 8.6523 9.8521 9.8548 10.0752 10.0797 10.0979 10.1009 11.5281 11.5441 k =-0.2895 0.4014 0.4949 ( 5169 PWs) bands (ev): -5.2400 -5.2399 -4.6108 -4.6102 -3.9589 -3.9581 -3.1931 -3.1926 -0.5933 -0.5929 -0.2463 -0.2452 0.0458 0.0631 0.0818 0.1711 0.1983 0.2630 0.3123 0.3463 0.3674 0.4346 0.4419 0.4983 0.5063 0.5107 0.5601 0.6190 0.6490 0.6708 1.7180 1.7187 2.4178 2.4309 2.8616 2.8734 2.9362 2.9393 3.4520 3.4651 3.5128 3.5184 3.7933 3.7979 4.6886 4.6995 4.9701 4.9759 5.9342 5.9413 6.3588 6.3675 8.6936 8.6938 9.8631 9.8642 10.0847 10.0875 10.1599 10.1643 11.5512 11.5592 k =-0.2810 0.3896 0.4803 ( 5173 PWs) bands (ev): -5.2704 -5.2703 -4.5667 -4.5661 -3.9552 -3.9544 -3.1917 -3.1912 -0.6196 -0.6173 -0.2385 -0.2375 0.0429 0.0608 0.0835 0.1613 0.2003 0.2658 0.3105 0.3454 0.3661 0.4366 0.4387 0.4955 0.5051 0.5157 0.5629 0.6229 0.6551 0.6701 1.6841 1.6858 2.4039 2.4155 2.8413 2.8532 3.0450 3.0477 3.4225 3.4361 3.4835 3.4892 3.7207 3.7256 4.6905 4.7022 5.0098 5.0163 5.9341 5.9404 6.3591 6.3666 8.7361 8.7362 9.8676 9.8679 10.0680 10.0711 10.2435 10.2480 11.5541 11.5610 k =-0.2725 0.3777 0.4658 ( 5173 PWs) bands (ev): -5.3036 -5.3034 -4.5214 -4.5208 -3.9468 -3.9461 -3.1905 -3.1899 -0.6484 -0.6436 -0.2306 -0.2296 0.0401 0.0589 0.0855 0.1518 0.2013 0.2693 0.3091 0.3442 0.3639 0.4364 0.4386 0.4922 0.5037 0.5216 0.5650 0.6270 0.6615 0.6693 1.6474 1.6502 2.3898 2.3997 2.8244 2.8360 3.1567 3.1597 3.3988 3.4134 3.4506 3.4562 3.6494 3.6547 4.6960 4.7082 5.0541 5.0614 5.9276 5.9331 6.3547 6.3610 8.7787 8.7792 9.8679 9.8693 10.0514 10.0546 10.3259 10.3306 11.5444 11.5504 k =-0.2639 0.3659 0.4512 ( 5177 PWs) bands (ev): -5.3390 -5.3389 -4.4750 -4.4744 -3.9341 -3.9334 -3.1895 -3.1889 -0.6792 -0.6722 -0.2224 -0.2217 0.0374 0.0573 0.0876 0.1433 0.2013 0.2734 0.3082 0.3426 0.3610 0.4349 0.4404 0.4885 0.5022 0.5279 0.5664 0.6312 0.6685 0.6685 1.6090 1.6128 2.3751 2.3830 2.8114 2.8226 3.2633 3.2669 3.3869 3.4032 3.4152 3.4204 3.5798 3.5853 4.7045 4.7170 5.1024 5.1103 5.9145 5.9191 6.3462 6.3512 8.8215 8.8224 9.8678 9.8700 10.0373 10.0406 10.4066 10.4114 11.5161 11.5216 k =-0.2554 0.3541 0.4366 ( 5183 PWs) bands (ev): -5.3764 -5.3763 -4.4275 -4.4269 -3.9175 -3.9168 -3.1886 -3.1880 -0.7119 -0.7029 -0.2139 -0.2135 0.0348 0.0562 0.0896 0.1360 0.2006 0.2779 0.3076 0.3408 0.3576 0.4340 0.4420 0.4845 0.5006 0.5344 0.5671 0.6350 0.6675 0.6758 1.5695 1.5744 2.3595 2.3652 2.8025 2.8132 3.3246 3.3266 3.3757 3.3819 3.4311 3.4426 3.5143 3.5189 4.7151 4.7278 5.1542 5.1627 5.8948 5.8985 6.3341 6.3377 8.8643 8.8656 9.8697 9.8725 10.0275 10.0310 10.4846 10.4896 11.4661 11.4715 k =-0.2469 0.3423 0.4221 ( 5179 PWs) bands (ev): -5.4152 -5.4151 -4.3790 -4.3783 -3.8975 -3.8968 -3.1880 -3.1873 -0.7463 -0.7357 -0.2051 -0.2050 0.0325 0.0556 0.0911 0.1307 0.1992 0.2827 0.3072 0.3389 0.3540 0.4336 0.4434 0.4804 0.4991 0.5411 0.5673 0.6383 0.6664 0.6835 1.5294 1.5355 2.3429 2.3463 2.7976 2.8078 3.3245 3.3320 3.3376 3.3431 3.4387 3.4481 3.5488 3.5516 4.7266 4.7393 5.2090 5.2181 5.8685 5.8713 6.3192 6.3214 8.9071 8.9087 9.8756 9.8788 10.0232 10.0268 10.5587 10.5638 11.3953 11.4012 k =-0.2384 0.3305 0.4075 ( 5175 PWs) bands (ev): -5.4550 -5.4549 -4.3295 -4.3289 -3.8745 -3.8738 -3.1875 -3.1868 -0.7823 -0.7704 -0.1965 -0.1958 0.0305 0.0555 0.0914 0.1279 0.1973 0.2877 0.3072 0.3367 0.3507 0.4333 0.4443 0.4765 0.4976 0.5477 0.5671 0.6408 0.6652 0.6914 1.4891 1.4965 2.3254 2.3263 2.7962 2.8059 3.2984 3.3043 3.3184 3.3258 3.3761 3.3864 3.6679 3.6704 4.7379 4.7506 5.2666 5.2763 5.8361 5.8379 6.3025 6.3033 8.9497 8.9517 9.8867 9.8901 10.0251 10.0288 10.6266 10.6320 11.3077 11.3146 k =-0.2299 0.3187 0.3930 ( 5177 PWs) bands (ev): -5.4955 -5.4955 -4.2793 -4.2786 -3.8489 -3.8482 -3.1872 -3.1865 -0.8198 -0.8069 -0.1876 -0.1862 0.0288 0.0558 0.0904 0.1277 0.1950 0.2927 0.3073 0.3343 0.3479 0.4331 0.4446 0.4730 0.4961 0.5542 0.5666 0.6425 0.6637 0.6992 1.4488 1.4576 2.3056 2.3070 2.7975 2.8067 3.2610 3.2666 3.3062 3.3077 3.3212 3.3384 3.7918 3.7941 4.7478 4.7604 5.3267 5.3370 5.7979 5.7987 6.2846 6.2853 8.9923 8.9947 9.9039 9.9074 10.0337 10.0373 10.6843 10.6899 11.2104 11.2183 k =-0.2214 0.3069 0.3784 ( 5165 PWs) bands (ev): -5.5363 -5.5363 -4.2283 -4.2276 -3.8211 -3.8205 -3.1871 -3.1863 -0.8585 -0.8448 -0.1784 -0.1762 0.0275 0.0566 0.0885 0.1300 0.1924 0.2976 0.3075 0.3316 0.3458 0.4329 0.4438 0.4704 0.4947 0.5604 0.5658 0.6436 0.6619 0.7067 1.4088 1.4190 2.2845 2.2881 2.8001 2.8092 3.2257 3.2309 3.2504 3.2561 3.3151 3.3293 3.9169 3.9192 4.7552 4.7676 5.3891 5.4001 5.7544 5.7547 6.2667 6.2689 9.0351 9.0378 9.9275 9.9310 10.0488 10.0524 10.7224 10.7284 11.1156 11.1244 k =-0.2129 0.2951 0.3639 ( 5169 PWs) bands (ev): -5.5772 -5.5771 -4.1767 -4.1760 -3.7915 -3.7909 -3.1872 -3.1864 -0.8983 -0.8841 -0.1689 -0.1657 0.0266 0.0579 0.0862 0.1339 0.1896 0.3023 0.3079 0.3286 0.3447 0.4326 0.4418 0.4691 0.4934 0.5647 0.5662 0.6440 0.6599 0.7138 1.3691 1.3809 2.2633 2.2691 2.8028 2.8118 3.1892 3.1929 3.1969 3.2056 3.3173 3.3308 4.0419 4.0443 4.7590 4.7710 5.4534 5.4652 5.7061 5.7073 6.2509 6.2547 9.0783 9.0812 9.9574 9.9609 10.0704 10.0738 10.7203 10.7274 11.0461 11.0550 k =-0.2043 0.2833 0.3493 ( 5169 PWs) bands (ev): -5.6177 -5.6177 -4.1246 -4.1239 -3.7604 -3.7599 -3.1875 -3.1866 -0.9390 -0.9246 -0.1590 -0.1547 0.0260 0.0596 0.0841 0.1391 0.1866 0.3066 0.3084 0.3254 0.3446 0.4321 0.4384 0.4691 0.4922 0.5635 0.5717 0.6439 0.6577 0.7202 1.3299 1.3433 2.2425 2.2502 2.8035 2.8126 3.1340 3.1399 3.1695 3.1768 3.3232 3.3365 4.1657 4.1684 4.7583 4.7700 5.5194 5.5321 5.6550 5.6571 6.2386 6.2440 9.1220 9.1252 9.9934 9.9968 10.0981 10.1011 10.6581 10.6670 11.0234 11.0317 k =-0.1958 0.2715 0.3348 ( 5165 PWs) bands (ev): -5.6578 -5.6578 -4.0721 -4.0714 -3.7282 -3.7277 -3.1879 -3.1870 -0.9804 -0.9659 -0.1488 -0.1432 0.0258 0.0617 0.0825 0.1451 0.1837 0.3090 0.3105 0.3221 0.3454 0.4314 0.4340 0.4702 0.4912 0.5621 0.5768 0.6434 0.6552 0.7259 1.2911 1.3064 2.2224 2.2318 2.8006 2.8099 3.0795 3.0862 3.1506 3.1577 3.3324 3.3455 4.2872 4.2901 4.7525 4.7637 5.5846 5.6005 5.6052 5.6057 6.2311 6.2381 9.1664 9.1698 10.0348 10.0381 10.1313 10.1338 10.5511 10.5617 11.0333 11.0411 k =-0.1873 0.2597 0.3202 ( 5169 PWs) bands (ev): -5.6972 -5.6971 -4.0193 -4.0185 -3.6952 -3.6947 -3.1885 -3.1876 -1.0224 -1.0079 -0.1382 -0.1312 0.0259 0.0640 0.0816 0.1517 0.1808 0.3096 0.3140 0.3188 0.3472 0.4289 0.4305 0.4721 0.4903 0.5605 0.5814 0.6424 0.6525 0.7308 1.2530 1.2702 2.2033 2.2142 2.7928 2.8020 3.0274 3.0345 3.1397 3.1467 3.3445 3.3574 4.4045 4.4078 4.7413 4.7520 5.5503 5.5549 5.6573 5.6707 6.2292 6.2379 9.2115 9.2152 10.0807 10.0838 10.1693 10.1712 10.4244 10.4359 11.0518 11.0593 k =-0.1788 0.2479 0.3057 ( 5173 PWs) bands (ev): -5.7356 -5.7356 -3.9663 -3.9656 -3.6616 -3.6611 -3.1893 -3.1883 -1.0647 -1.0505 -0.1272 -0.1187 0.0261 0.0665 0.0815 0.1588 0.1780 0.3104 0.3152 0.3175 0.3498 0.4234 0.4294 0.4747 0.4896 0.5589 0.5857 0.6411 0.6495 0.7347 1.2154 1.2347 2.1855 2.1977 2.7794 2.7887 2.9778 2.9852 3.1368 3.1434 3.3591 3.3718 4.5152 4.5189 4.7249 4.7349 5.5036 5.5085 5.7274 5.7419 6.2336 6.2439 9.2572 9.2610 10.1290 10.1316 10.2113 10.2122 10.2919 10.3035 11.0288 11.0351 k =-0.1703 0.2361 0.2911 ( 5193 PWs) bands (ev): -5.7731 -5.7730 -3.9133 -3.9126 -3.6277 -3.6272 -3.1902 -3.1891 -1.1073 -1.0934 -0.1159 -0.1058 0.0265 0.0691 0.0823 0.1661 0.1754 0.3113 0.3121 0.3202 0.3531 0.4177 0.4282 0.4779 0.4890 0.5570 0.5895 0.6396 0.6463 0.7377 1.1784 1.2001 2.1692 2.1824 2.7612 2.7704 2.9308 2.9385 3.1406 3.1468 3.3758 3.3881 4.6151 4.6190 4.7043 4.7131 5.4658 5.4710 5.7986 5.8141 6.2445 6.2565 9.3027 9.3067 10.1343 10.1441 10.2041 10.2051 10.2564 10.2575 10.8662 10.8722 k =-0.1618 0.2243 0.2765 ( 5193 PWs) bands (ev): -5.8093 -5.8092 -3.8605 -3.8597 -3.5938 -3.5933 -3.1912 -3.1901 -1.1499 -1.1364 -0.1042 -0.0924 0.0270 0.0718 0.0841 0.1731 0.1737 0.3090 0.3124 0.3228 0.3569 0.4119 0.4269 0.4816 0.4886 0.5552 0.5929 0.6379 0.6430 0.7397 1.1421 1.1663 2.1545 2.1686 2.7394 2.7484 2.8865 2.8944 3.1490 3.1548 3.3941 3.4059 4.6753 4.6871 4.6986 4.7073 5.4440 5.4491 5.8705 5.8870 6.2619 6.2756 9.3469 9.3511 10.0091 10.0228 10.2468 10.2495 10.3027 10.3029 10.7070 10.7125 k =-0.1533 0.2125 0.2620 ( 5173 PWs) bands (ev): -5.8442 -5.8441 -3.8080 -3.8072 -3.5601 -3.5596 -3.1923 -3.1911 -1.1924 -1.1794 -0.0922 -0.0785 0.0276 0.0744 0.0868 0.1713 0.1813 0.3061 0.3138 0.3252 0.3613 0.4062 0.4256 0.4858 0.4884 0.5532 0.5961 0.6360 0.6395 0.7407 1.1065 1.1334 2.1417 2.1563 2.7153 2.7243 2.8451 2.8532 3.1599 3.1652 3.4132 3.4244 4.6500 4.6593 4.7570 4.7654 5.4464 5.4510 5.9428 5.9604 6.2853 6.3006 9.3866 9.3912 9.8809 9.8947 10.3021 10.3048 10.3463 10.3479 10.5537 10.5585 k =-0.1447 0.2007 0.2474 ( 5169 PWs) bands (ev): -5.8776 -5.8776 -3.7559 -3.7551 -3.5269 -3.5263 -3.1934 -3.1923 -1.2346 -1.2221 -0.0799 -0.0644 0.0282 0.0768 0.0905 0.1699 0.1888 0.3033 0.3156 0.3274 0.3661 0.4006 0.4244 0.4884 0.4906 0.5512 0.5989 0.6341 0.6359 0.7407 1.0717 1.1014 2.1308 2.1456 2.6902 2.6993 2.8065 2.8147 3.1712 3.1760 3.4325 3.4430 4.6218 4.6302 4.7864 4.7964 5.4789 5.4827 6.0152 6.0339 6.3142 6.3311 9.4137 9.4193 9.7670 9.7801 10.3518 10.3567 10.3616 10.3639 10.4377 10.4396 k =-0.1362 0.1889 0.2329 ( 5165 PWs) bands (ev): -5.9096 -5.9096 -3.7045 -3.7037 -3.4943 -3.4937 -3.1947 -3.1934 -1.2764 -1.2645 -0.0674 -0.0501 0.0289 0.0790 0.0950 0.1692 0.1960 0.3009 0.3178 0.3292 0.3710 0.3951 0.4236 0.4884 0.4960 0.5490 0.6016 0.6322 0.6322 0.7397 1.0375 1.0704 2.1218 2.1366 2.6651 2.6743 2.7709 2.7792 3.1809 3.1852 3.4514 3.4609 4.5941 4.6017 4.7884 4.8001 5.5404 5.5434 6.0874 6.1072 6.3478 6.3663 9.4070 9.4151 9.6896 9.7003 10.2339 10.2397 10.4098 10.4125 10.4539 10.4561 k =-0.1277 0.1771 0.2183 ( 5153 PWs) bands (ev): -5.9399 -5.9399 -3.6539 -3.6531 -3.4626 -3.4620 -3.1959 -3.1947 -1.3175 -1.3062 -0.0548 -0.0358 0.0296 0.0808 0.1003 0.1691 0.2027 0.2988 0.3207 0.3307 0.3758 0.3898 0.4234 0.4886 0.5019 0.5467 0.6040 0.6285 0.6302 0.7377 1.0041 1.0403 2.1147 2.1294 2.6407 2.6502 2.7383 2.7465 3.1874 3.1914 3.4688 3.4773 4.5685 4.5754 4.7710 4.7841 5.6236 5.6262 6.1589 6.1800 6.3854 6.4055 9.3447 9.3561 9.6710 9.6784 10.0930 10.0982 10.4538 10.4557 10.4900 10.4928 k =-0.1192 0.1653 0.2038 ( 5145 PWs) bands (ev): -5.9686 -5.9686 -3.6044 -3.6035 -3.4320 -3.4313 -3.1972 -3.1959 -1.3579 -1.3472 -0.0420 -0.0217 0.0304 0.0823 0.1063 0.1697 0.2088 0.2972 0.3244 0.3317 0.3800 0.3847 0.4242 0.4889 0.5084 0.5443 0.6062 0.6248 0.6283 0.7348 0.9715 1.0113 2.1096 2.1238 2.6177 2.6275 2.7086 2.7169 3.1894 3.1931 3.4840 3.4914 4.5466 4.5528 4.7429 4.7571 5.7207 5.7230 6.2295 6.2517 6.4262 6.4478 9.2459 9.2588 9.6920 9.6978 9.9549 9.9598 10.4819 10.4832 10.5205 10.5237 k =-0.1107 0.1535 0.1892 ( 5151 PWs) bands (ev): -5.9955 -5.9955 -3.5561 -3.5553 -3.4027 -3.4020 -3.1985 -3.1971 -1.3972 -1.3872 -0.0294 -0.0080 0.0313 0.0835 0.1130 0.1710 0.2140 0.2962 0.3289 0.3323 0.3799 0.3831 0.4266 0.4893 0.5155 0.5418 0.6081 0.6214 0.6264 0.7308 0.9397 0.9832 2.1064 2.1198 2.5965 2.6067 2.6821 2.6903 3.1860 3.1893 3.4961 3.5023 4.5294 4.5348 4.7107 4.7258 5.8256 5.8277 6.2986 6.3220 6.4693 6.4924 9.1355 9.1490 9.7275 9.7324 9.8220 9.8265 10.4849 10.4860 10.5399 10.5442 k =-0.1022 0.1417 0.1747 ( 5141 PWs) bands (ev): -6.0206 -6.0206 -3.5095 -3.5087 -3.3749 -3.3740 -3.1997 -3.1982 -1.4353 -1.4260 -0.0169 0.0050 0.0325 0.0845 0.1203 0.1730 0.2185 0.2959 0.3324 0.3343 0.3753 0.3847 0.4309 0.4899 0.5232 0.5392 0.6094 0.6187 0.6246 0.7259 0.9089 0.9561 2.1049 2.1173 2.5775 2.5881 2.6585 2.6666 3.1766 3.1796 3.5043 3.5094 4.5178 4.5224 4.6789 4.6946 5.9343 5.9363 6.3658 6.3903 6.5142 6.5385 9.0242 9.0377 9.6951 9.6993 9.7662 9.7707 10.4590 10.4600 10.5463 10.5513 k =-0.0937 0.1299 0.1601 ( 5137 PWs) bands (ev): -6.0439 -6.0439 -3.4646 -3.4638 -3.3487 -3.3478 -3.2009 -3.1993 -1.4720 -1.4634 -0.0049 0.0168 0.0339 0.0855 0.1279 0.1754 0.2222 0.2966 0.3320 0.3406 0.3711 0.3848 0.4366 0.4910 0.5311 0.5368 0.6093 0.6175 0.6229 0.7201 0.8791 0.9299 2.1049 2.1162 2.5611 2.5722 2.6380 2.6459 3.1611 3.1639 3.5082 3.5122 4.5118 4.5157 4.6503 4.6664 6.0439 6.0458 6.4304 6.4558 6.5601 6.5855 8.9161 8.9292 9.5750 9.5789 9.8030 9.8072 10.4107 10.4113 10.5391 10.5439 k =-0.0851 0.1180 0.1455 ( 5125 PWs) bands (ev): -6.0653 -6.0652 -3.4219 -3.4211 -3.3244 -3.3233 -3.2019 -3.2002 -1.5071 -1.4992 0.0065 0.0271 0.0359 0.0867 0.1359 0.1783 0.2252 0.2985 0.3312 0.3476 0.3673 0.3838 0.4431 0.4930 0.5322 0.5415 0.6075 0.6183 0.6212 0.7134 0.8505 0.9048 2.1062 2.1162 2.5477 2.5592 2.6204 2.6280 3.1397 3.1424 3.5074 3.5103 4.5115 4.5146 4.6267 4.6427 6.1525 6.1544 6.4921 6.5178 6.6067 6.6325 8.8131 8.8258 9.4623 9.4658 9.8339 9.8379 10.3514 10.3518 10.5193 10.5232 k =-0.0766 0.1062 0.1310 ( 5121 PWs) bands (ev): -6.0847 -6.0847 -3.3816 -3.3808 -3.3022 -3.3009 -3.2028 -3.2009 -1.5401 -1.5330 0.0165 0.0355 0.0388 0.0883 0.1440 0.1812 0.2279 0.3017 0.3299 0.3547 0.3642 0.3823 0.4491 0.4963 0.5289 0.5510 0.6049 0.6196 0.6201 0.7057 0.8232 0.8807 2.1086 2.1172 2.5374 2.5493 2.6057 2.6129 3.1132 3.1158 3.5020 3.5040 4.5160 4.5184 4.6087 4.6243 6.2583 6.2602 6.5501 6.5754 6.6533 6.6788 8.7166 8.7286 9.3576 9.3608 9.8543 9.8580 10.2923 10.2926 10.4895 10.4920 k =-0.0681 0.0944 0.1164 ( 5125 PWs) bands (ev): -6.1022 -6.1022 -3.3440 -3.3433 -3.2822 -3.2807 -3.2034 -3.2013 -1.5710 -1.5646 0.0244 0.0417 0.0434 0.0903 0.1520 0.1839 0.2304 0.3062 0.3279 0.3576 0.3660 0.3808 0.4535 0.5017 0.5248 0.5611 0.6025 0.6181 0.6221 0.6969 0.7977 0.8575 2.1117 2.1189 2.5305 2.5427 2.5936 2.6003 3.0826 3.0853 3.4926 3.4939 4.5244 4.5261 4.5965 4.6113 6.3597 6.3616 6.6040 6.6278 6.6995 6.7237 8.6275 8.6387 9.2615 9.2644 9.8587 9.8621 10.2436 10.2436 10.4529 10.4541 k =-0.0596 0.0826 0.1019 ( 5125 PWs) bands (ev): -6.1177 -6.1177 -3.3096 -3.3090 -3.2647 -3.2629 -3.2035 -3.2012 -1.5993 -1.5936 0.0297 0.0459 0.0502 0.0927 0.1596 0.1863 0.2333 0.3118 0.3254 0.3554 0.3734 0.3801 0.4559 0.5096 0.5201 0.5716 0.6003 0.6167 0.6244 0.6871 0.7743 0.8354 2.1153 2.1210 2.5272 2.5393 2.5841 2.5902 3.0493 3.0521 3.4800 3.4808 4.5356 4.5367 4.5896 4.6032 6.4552 6.4571 6.6532 6.6745 6.7445 6.7663 8.5468 8.5571 9.1747 9.1773 9.8427 9.8457 10.2124 10.2125 10.4130 10.4133 k =-0.0511 0.0708 0.0873 ( 5129 PWs) bands (ev): -6.1311 -6.1311 -3.2788 -3.2782 -3.2500 -3.2479 -3.2031 -3.2005 -1.6247 -1.6198 0.0330 0.0482 0.0581 0.0952 0.1665 0.1880 0.2369 0.3175 0.3224 0.3526 0.3810 0.3816 0.4563 0.5145 0.5194 0.5822 0.5985 0.6155 0.6267 0.6762 0.7536 0.8142 2.1189 2.1233 2.5273 2.5392 2.5768 2.5822 3.0146 3.0175 3.4654 3.4658 4.5484 4.5488 4.5871 4.5991 6.5429 6.5450 6.6974 6.7153 6.7870 6.8056 8.4752 8.4844 9.0979 9.1002 9.8082 9.8106 10.1996 10.1999 10.3727 10.3730 k =-0.0426 0.0590 0.0728 ( 5127 PWs) bands (ev): -6.1426 -6.1426 -3.2518 -3.2513 -3.2384 -3.2362 -3.2015 -3.1988 -1.6469 -1.6428 0.0355 0.0492 0.0662 0.0973 0.1724 0.1890 0.2415 0.3166 0.3249 0.3499 0.3845 0.3897 0.4553 0.5079 0.5306 0.5923 0.5973 0.6146 0.6291 0.6644 0.7360 0.7941 2.1223 2.1255 2.5306 2.5418 2.5715 2.5762 2.9801 2.9831 3.4501 3.4503 4.5612 4.5616 4.5881 4.5980 6.6210 6.6233 6.7364 6.7504 6.8258 6.8409 8.4134 8.4213 9.0317 9.0336 9.7629 9.7648 10.1994 10.1998 10.3350 10.3356 k =-0.0341 0.0472 0.0582 ( 5135 PWs) bands (ev): -6.1519 -6.1519 -3.2312 -3.2296 -3.2278 -3.2277 -3.1987 -3.1961 -1.6656 -1.6622 0.0376 0.0492 0.0738 0.0988 0.1772 0.1895 0.2474 0.3112 0.3295 0.3474 0.3910 0.3976 0.4533 0.5001 0.5425 0.5966 0.6000 0.6150 0.6315 0.6523 0.7222 0.7750 2.1253 2.1276 2.5366 2.5465 2.5681 2.5718 2.9474 2.9505 3.4354 3.4354 4.5727 4.5739 4.5914 4.5988 6.6872 6.6898 6.7702 6.7801 6.8596 6.8712 8.3621 8.3685 8.9766 8.9781 9.7157 9.7172 10.2049 10.2052 10.3024 10.3030 k =-0.0255 0.0354 0.0437 ( 5129 PWs) bands (ev): -6.1592 -6.1592 -3.2255 -3.2237 -3.2109 -3.2104 -3.1947 -3.1928 -1.6804 -1.6779 0.0395 0.0486 0.0806 0.0995 0.1808 0.1894 0.2545 0.3045 0.3331 0.3451 0.4002 0.4049 0.4511 0.4908 0.5549 0.5965 0.6031 0.6168 0.6339 0.6418 0.7126 0.7572 2.1277 2.1292 2.5441 2.5521 2.5663 2.5688 2.9187 2.9215 3.4225 3.4226 4.5822 4.5843 4.5960 4.6006 6.7389 6.7421 6.7993 6.8051 6.8873 6.8956 8.3217 8.3266 8.9332 8.9344 9.6732 9.6743 10.2107 10.2107 10.2773 10.2776 k =-0.0170 0.0236 0.0291 ( 5129 PWs) bands (ev): -6.1645 -6.1645 -3.2226 -3.2214 -3.1977 -3.1974 -3.1908 -3.1896 -1.6910 -1.6894 0.0413 0.0476 0.0865 0.0991 0.1835 0.1889 0.2625 0.2970 0.3356 0.3430 0.4102 0.4115 0.4496 0.4802 0.5674 0.5970 0.6028 0.6137 0.6362 0.6376 0.7080 0.7409 2.1295 2.1304 2.5516 2.5566 2.5663 2.5671 2.8959 2.8982 3.4126 3.4126 4.5891 4.5917 4.6008 4.6028 6.7743 6.7777 6.8235 6.8259 6.9081 6.9134 8.2927 8.2961 8.9020 8.9027 9.6400 9.6407 10.2129 10.2131 10.2616 10.2617 k =-0.0085 0.0118 0.0146 ( 5135 PWs) bands (ev): -6.1676 -6.1676 -3.2211 -3.2205 -3.1898 -3.1896 -3.1878 -3.1873 -1.6974 -1.6965 0.0431 0.0462 0.0913 0.0976 0.1855 0.1881 0.2711 0.2887 0.3376 0.3411 0.4167 0.4178 0.4512 0.4689 0.5798 0.5981 0.6011 0.6041 0.6381 0.6386 0.7090 0.7268 2.1307 2.1311 2.5570 2.5587 2.5670 2.5675 2.8814 2.8827 3.4063 3.4063 4.5937 4.5954 4.6043 4.6048 6.7943 6.7964 6.8405 6.8411 6.9214 6.9239 8.2756 8.2773 8.8831 8.8835 9.6190 9.6193 10.2116 10.2118 10.2548 10.2550 k = 0.0000 0.0000 0.0000 ( 5133 PWs) bands (ev): -6.1686 -6.1686 -3.2204 -3.2204 -3.1874 -3.1874 -3.1863 -3.1863 -1.6992 -1.6992 0.0447 0.0447 0.0950 0.0950 0.1870 0.1870 0.2799 0.2799 0.3394 0.3394 0.4196 0.4196 0.4582 0.4582 0.5920 0.5920 0.5997 0.5997 0.6391 0.6391 0.7157 0.7157 2.1312 2.1312 2.5590 2.5590 2.5678 2.5678 2.8768 2.8768 3.4041 3.4041 4.5958 4.5958 4.6057 4.6057 6.8013 6.8013 6.8468 6.8468 6.9267 6.9267 8.2704 8.2704 8.8770 8.8770 9.6119 9.6119 10.2105 10.2105 10.2535 10.2535 k = 0.0000 0.0000 0.0000 ( 5133 PWs) bands (ev): -6.1686 -6.1686 -3.2204 -3.2204 -3.1874 -3.1874 -3.1863 -3.1863 -1.6992 -1.6992 0.0447 0.0447 0.0950 0.0950 0.1870 0.1870 0.2799 0.2799 0.3394 0.3394 0.4196 0.4196 0.4582 0.4582 0.5920 0.5920 0.5997 0.5997 0.6391 0.6391 0.7157 0.7157 2.1312 2.1312 2.5590 2.5590 2.5678 2.5678 2.8768 2.8768 3.4041 3.4041 4.5958 4.5958 4.6057 4.6057 6.8013 6.8013 6.8468 6.8468 6.9267 6.9267 8.2704 8.2704 8.8770 8.8770 9.6119 9.6119 10.2105 10.2105 10.2535 10.2535 k = 0.0167 0.0120-0.0000 ( 5137 PWs) bands (ev): -6.1675 -6.1675 -3.2267 -3.2267 -3.1875 -3.1875 -3.1864 -3.1864 -1.6935 -1.6935 0.0449 0.0449 0.0950 0.0950 0.1863 0.1863 0.2800 0.2800 0.3397 0.3397 0.4158 0.4158 0.4608 0.4608 0.5895 0.5895 0.6016 0.6016 0.6388 0.6388 0.7165 0.7165 2.1307 2.1307 2.5605 2.5605 2.5693 2.5693 2.8789 2.8789 3.4079 3.4079 4.5974 4.5974 4.6072 4.6072 6.7971 6.7971 6.8426 6.8426 6.9180 6.9180 8.2715 8.2715 8.8794 8.8794 9.6201 9.6201 10.2131 10.2131 10.2558 10.2558 k = 0.0333 0.0240-0.0000 ( 5129 PWs) bands (ev): -6.1641 -6.1641 -3.2454 -3.2454 -3.1879 -3.1879 -3.1868 -3.1868 -1.6765 -1.6765 0.0454 0.0454 0.0947 0.0947 0.1841 0.1841 0.2801 0.2801 0.3405 0.3405 0.4068 0.4068 0.4665 0.4665 0.5847 0.5847 0.6046 0.6046 0.6378 0.6378 0.7188 0.7188 2.1293 2.1293 2.5651 2.5651 2.5740 2.5740 2.8854 2.8854 3.4190 3.4190 4.6019 4.6019 4.6118 4.6118 6.7845 6.7845 6.8302 6.8302 6.8923 6.8923 8.2749 8.2749 8.8868 8.8868 9.6441 9.6441 10.2204 10.2204 10.2622 10.2622 k = 0.0500 0.0361-0.0000 ( 5125 PWs) bands (ev): -6.1584 -6.1584 -3.2754 -3.2754 -3.1886 -3.1886 -3.1874 -3.1874 -1.6494 -1.6494 0.0462 0.0462 0.0943 0.0943 0.1804 0.1804 0.2802 0.2802 0.3421 0.3421 0.3953 0.3953 0.4725 0.4725 0.5793 0.5793 0.6071 0.6071 0.6362 0.6362 0.7226 0.7226 2.1272 2.1272 2.5728 2.5728 2.5816 2.5816 2.8960 2.8960 3.4372 3.4372 4.6095 4.6095 4.6194 4.6194 6.7633 6.7633 6.8099 6.8099 6.8512 6.8512 8.2806 8.2806 8.8990 8.8990 9.6818 9.6818 10.2311 10.2311 10.2714 10.2714 k = 0.0667 0.0481-0.0000 ( 5125 PWs) bands (ev): -6.1505 -6.1505 -3.3157 -3.3157 -3.1895 -3.1895 -3.1883 -3.1883 -1.6133 -1.6133 0.0473 0.0473 0.0935 0.0935 0.1750 0.1750 0.2803 0.2803 0.3443 0.3443 0.3829 0.3829 0.4776 0.4776 0.5737 0.5737 0.6089 0.6089 0.6340 0.6340 0.7276 0.7276 2.1248 2.1248 2.5836 2.5836 2.5923 2.5923 2.9108 2.9108 3.4623 3.4623 4.6201 4.6201 4.6299 4.6299 6.7328 6.7328 6.7822 6.7822 6.7975 6.7975 8.2886 8.2886 8.9161 8.9161 9.7295 9.7295 10.2428 10.2428 10.2811 10.2811 k = 0.0833 0.0601-0.0000 ( 5133 PWs) bands (ev): -6.1402 -6.1402 -3.3646 -3.3646 -3.1905 -3.1905 -3.1894 -3.1894 -1.5698 -1.5698 0.0487 0.0487 0.0922 0.0922 0.1681 0.1681 0.2805 0.2805 0.3471 0.3471 0.3707 0.3707 0.4813 0.4813 0.5683 0.5683 0.6098 0.6098 0.6312 0.6312 0.7335 0.7335 2.1225 2.1225 2.5972 2.5972 2.6059 2.6059 2.9294 2.9294 3.4936 3.4936 4.6335 4.6335 4.6434 4.6434 6.6891 6.6891 6.7378 6.7378 6.7475 6.7475 8.2989 8.2989 8.9380 8.9380 9.7811 9.7811 10.2520 10.2520 10.2877 10.2877 k = 0.1000 0.0721-0.0000 ( 5141 PWs) bands (ev): -6.1277 -6.1277 -3.4208 -3.4208 -3.1918 -3.1918 -3.1907 -3.1907 -1.5205 -1.5205 0.0502 0.0502 0.0900 0.0900 0.1598 0.1598 0.2805 0.2805 0.3500 0.3500 0.3598 0.3598 0.4832 0.4832 0.5634 0.5634 0.6098 0.6098 0.6280 0.6280 0.7400 0.7400 2.1208 2.1208 2.6137 2.6137 2.6224 2.6224 2.9517 2.9517 3.5306 3.5306 4.6498 4.6498 4.6596 4.6596 6.6238 6.6238 6.6829 6.6829 6.7067 6.7067 8.3115 8.3115 8.9647 8.9647 9.8272 9.8272 10.2550 10.2550 10.2864 10.2864 k = 0.1167 0.0841-0.0000 ( 5137 PWs) bands (ev): -6.1130 -6.1130 -3.4830 -3.4830 -3.1933 -3.1933 -3.1922 -3.1922 -1.4668 -1.4668 0.0519 0.0519 0.0865 0.0865 0.1507 0.1507 0.2804 0.2804 0.3454 0.3454 0.3583 0.3583 0.4833 0.4833 0.5592 0.5592 0.6092 0.6092 0.6243 0.6243 0.7469 0.7469 2.1202 2.1202 2.6330 2.6330 2.6416 2.6416 2.9774 2.9774 3.5729 3.5729 4.6687 4.6687 4.6785 4.6785 6.5404 6.5404 6.6323 6.6323 6.6604 6.6604 8.3266 8.3266 8.9962 8.9962 9.8541 9.8541 10.2485 10.2485 10.2716 10.2716 k = 0.1333 0.0962-0.0000 ( 5149 PWs) bands (ev): -6.0960 -6.0960 -3.5498 -3.5498 -3.1950 -3.1950 -3.1939 -3.1939 -1.4100 -1.4100 0.0535 0.0535 0.0807 0.0807 0.1418 0.1418 0.2799 0.2799 0.3361 0.3361 0.3638 0.3638 0.4815 0.4815 0.5559 0.5559 0.6077 0.6077 0.6204 0.6204 0.7538 0.7538 2.1212 2.1212 2.6548 2.6548 2.6634 2.6634 3.0060 3.0060 3.6196 3.6196 4.6902 4.6902 4.6999 4.6999 6.4468 6.4468 6.5804 6.5804 6.6095 6.6095 8.3441 8.3441 9.0323 9.0323 9.8508 9.8508 10.2237 10.2237 10.2384 10.2384 k = 0.1500 0.1082-0.0000 ( 5157 PWs) bands (ev): -6.0768 -6.0768 -3.6203 -3.6203 -3.1969 -3.1969 -3.1958 -3.1958 -1.3513 -1.3513 0.0542 0.0542 0.0725 0.0725 0.1344 0.1344 0.2790 0.2790 0.3273 0.3273 0.3711 0.3711 0.4779 0.4779 0.5535 0.5535 0.6055 0.6055 0.6165 0.6165 0.7605 0.7605 2.1244 2.1244 2.6792 2.6792 2.6877 2.6877 3.0373 3.0373 3.6703 3.6703 4.7140 4.7140 4.7237 4.7237 6.3469 6.3469 6.5259 6.5259 6.5548 6.5548 8.3640 8.3640 9.0730 9.0730 9.8178 9.8178 10.1754 10.1754 10.1840 10.1840 k = 0.1667 0.1202-0.0000 ( 5157 PWs) bands (ev): -6.0553 -6.0553 -3.6937 -3.6937 -3.1988 -3.1988 -3.1978 -3.1978 -1.2916 -1.2916 0.0499 0.0499 0.0656 0.0656 0.1292 0.1292 0.2774 0.2774 0.3196 0.3196 0.3797 0.3797 0.4728 0.4728 0.5521 0.5521 0.6026 0.6026 0.6127 0.6127 0.7670 0.7670 2.1302 2.1302 2.7059 2.7059 2.7143 2.7143 3.0708 3.0708 3.7244 3.7244 4.7400 4.7400 4.7495 4.7495 6.2427 6.2427 6.4688 6.4688 6.4972 6.4972 8.3864 8.3864 9.1183 9.1183 9.7637 9.7637 10.1047 10.1047 10.1099 10.1099 k = 0.1833 0.1322-0.0000 ( 5169 PWs) bands (ev): -6.0316 -6.0316 -3.7692 -3.7692 -3.2009 -3.2009 -3.1999 -3.1999 -1.2317 -1.2317 0.0356 0.0356 0.0650 0.0650 0.1262 0.1262 0.2751 0.2751 0.3128 0.3128 0.3893 0.3893 0.4667 0.4667 0.5516 0.5516 0.5988 0.5988 0.6093 0.6093 0.7729 0.7729 2.1391 2.1391 2.7347 2.7347 2.7430 2.7430 3.1059 3.1059 3.7812 3.7812 4.7679 4.7679 4.7772 4.7772 6.1358 6.1358 6.4099 6.4099 6.4374 6.4374 8.4113 8.4113 9.1680 9.1680 9.6968 9.6968 10.0149 10.0149 10.0201 10.0201 k = 0.2000 0.1443-0.0000 ( 5169 PWs) bands (ev): -6.0057 -6.0057 -3.8463 -3.8463 -3.2031 -3.2031 -3.2021 -3.2021 -1.1724 -1.1724 0.0164 0.0164 0.0669 0.0669 0.1248 0.1248 0.2721 0.2721 0.3067 0.3067 0.3998 0.3998 0.4599 0.4599 0.5517 0.5517 0.5944 0.5944 0.6062 0.6062 0.7783 0.7783 2.1515 2.1515 2.7655 2.7655 2.7737 2.7737 3.1420 3.1420 3.8402 3.8402 4.7974 4.7974 4.8064 4.8064 6.0274 6.0274 6.3497 6.3497 6.3762 6.3762 8.4387 8.4387 9.2222 9.2222 9.6222 9.6222 9.9117 9.9117 9.9185 9.9185 k = 0.2167 0.1563-0.0000 ( 5177 PWs) bands (ev): -5.9776 -5.9776 -3.9244 -3.9244 -3.2054 -3.2054 -3.2044 -3.2044 -1.1141 -1.1141 -0.0053 -0.0053 0.0694 0.0694 0.1246 0.1246 0.2684 0.2684 0.3011 0.3011 0.4108 0.4108 0.4529 0.4529 0.5525 0.5525 0.5899 0.5899 0.6035 0.6035 0.7829 0.7829 2.1676 2.1676 2.7981 2.7981 2.8061 2.8061 3.1786 3.1786 3.9009 3.9009 4.8281 4.8281 4.8368 4.8368 5.9185 5.9185 6.2890 6.2890 6.3146 6.3146 8.4686 8.4686 9.2805 9.2805 9.5432 9.5432 9.8003 9.8003 9.8087 9.8087 k = 0.2333 0.1683-0.0000 ( 5173 PWs) bands (ev): -5.9473 -5.9473 -4.0033 -4.0033 -3.2077 -3.2077 -3.2068 -3.2068 -1.0574 -1.0574 -0.0285 -0.0285 0.0723 0.0723 0.1252 0.1252 0.2641 0.2641 0.2958 0.2958 0.4216 0.4216 0.4463 0.4463 0.5537 0.5537 0.5855 0.5855 0.6010 0.6010 0.7869 0.7869 2.1879 2.1879 2.8321 2.8321 2.8399 2.8399 3.2148 3.2148 3.9627 3.9627 4.8596 4.8596 4.8680 4.8680 5.8102 5.8102 6.2286 6.2286 6.2533 6.2533 8.5008 8.5008 9.3428 9.3428 9.4620 9.4620 9.6843 9.6843 9.6940 9.6940 k = 0.2500 0.1803-0.0000 ( 5173 PWs) bands (ev): -5.9148 -5.9148 -4.0824 -4.0824 -3.2101 -3.2101 -3.2092 -3.2092 -1.0025 -1.0025 -0.0527 -0.0527 0.0753 0.0753 0.1264 0.1264 0.2592 0.2592 0.2903 0.2903 0.4299 0.4299 0.4423 0.4423 0.5553 0.5553 0.5817 0.5817 0.5988 0.5988 0.7901 0.7901 2.2125 2.2125 2.8674 2.8674 2.8750 2.8750 3.2500 3.2500 4.0251 4.0251 4.8914 4.8914 4.8993 4.8993 5.7034 5.7034 6.1693 6.1693 6.1931 6.1931 8.5354 8.5354 9.3799 9.3799 9.4088 9.4088 9.5664 9.5664 9.5770 9.5770 k = 0.2667 0.1923-0.0000 ( 5173 PWs) bands (ev): -5.8801 -5.8801 -4.1616 -4.1616 -3.2124 -3.2124 -3.2115 -3.2115 -0.9498 -0.9498 -0.0775 -0.0775 0.0785 0.0785 0.1280 0.1280 0.2540 0.2540 0.2846 0.2846 0.4292 0.4292 0.4469 0.4469 0.5567 0.5567 0.5792 0.5792 0.5972 0.5972 0.7925 0.7925 2.2416 2.2416 2.9036 2.9036 2.9110 2.9110 3.2831 3.2831 4.0876 4.0876 4.9229 4.9229 4.9302 4.9302 5.5991 5.5991 6.1119 6.1119 6.1349 6.1349 8.5721 8.5721 9.2983 9.2983 9.4483 9.4483 9.4590 9.4590 9.4783 9.4783 k = 0.2833 0.2044-0.0000 ( 5169 PWs) bands (ev): -5.8434 -5.8434 -4.2406 -4.2406 -3.2147 -3.2147 -3.2139 -3.2139 -0.8994 -0.8994 -0.1027 -0.1027 0.0818 0.0818 0.1301 0.1301 0.2483 0.2483 0.2784 0.2784 0.4248 0.4248 0.4546 0.4546 0.5573 0.5573 0.5785 0.5785 0.5969 0.5969 0.7941 0.7941 2.2753 2.2753 2.9404 2.9404 2.9475 2.9475 3.3131 3.3131 4.1496 4.1496 4.9533 4.9533 4.9601 4.9601 5.4981 5.4981 6.0574 6.0574 6.0797 6.0797 8.6107 8.6107 9.2182 9.2182 9.3321 9.3321 9.3438 9.3438 9.5438 9.5438 k = 0.3000 0.2164-0.0000 ( 5169 PWs) bands (ev): -5.8044 -5.8044 -4.3192 -4.3192 -3.2169 -3.2169 -3.2162 -3.2162 -0.8514 -0.8514 -0.1281 -0.1281 0.0854 0.0854 0.1326 0.1326 0.2424 0.2424 0.2717 0.2717 0.4206 0.4206 0.4610 0.4610 0.5566 0.5566 0.5790 0.5790 0.5991 0.5991 0.7949 0.7949 2.3138 2.3138 2.9775 2.9775 2.9843 2.9843 3.3390 3.3390 4.2108 4.2108 4.9820 4.9820 4.9881 4.9881 5.4015 5.4015 6.0068 6.0068 6.0283 6.0283 8.6508 8.6508 9.1404 9.1404 9.2188 9.2188 9.2307 9.2307 9.5661 9.5661 k = 0.3167 0.2284-0.0000 ( 5169 PWs) bands (ev): -5.7634 -5.7634 -4.3972 -4.3972 -3.2191 -3.2191 -3.2184 -3.2184 -0.8059 -0.8059 -0.1536 -0.1536 0.0892 0.0892 0.1353 0.1353 0.2362 0.2362 0.2645 0.2645 0.4172 0.4172 0.4652 0.4652 0.5552 0.5552 0.5790 0.5790 0.6052 0.6052 0.7949 0.7949 2.3569 2.3569 3.0145 3.0145 3.0210 3.0210 3.3596 3.3596 4.2706 4.2706 5.0080 5.0080 5.0135 5.0135 5.3102 5.3102 5.9609 5.9609 5.9818 5.9818 8.6914 8.6914 9.0657 9.0657 9.1095 9.1095 9.1215 9.1215 9.4848 9.4848 k = 0.3333 0.2404-0.0000 ( 5169 PWs) bands (ev): -5.7203 -5.7203 -4.4745 -4.4745 -3.2211 -3.2211 -3.2205 -3.2205 -0.7628 -0.7628 -0.1790 -0.1790 0.0932 0.0932 0.1384 0.1384 0.2297 0.2297 0.2569 0.2569 0.4148 0.4148 0.4673 0.4673 0.5537 0.5537 0.5779 0.5779 0.6148 0.6148 0.7941 0.7941 2.4046 2.4046 3.0509 3.0509 3.0570 3.0570 3.3737 3.3737 4.3285 4.3285 5.0304 5.0304 5.0353 5.0353 5.2251 5.2251 5.9207 5.9207 5.9409 5.9409 8.7314 8.7314 8.9950 8.9950 9.0053 9.0053 9.0171 9.0171 9.3885 9.3885 k = 0.3500 0.2524-0.0000 ( 5161 PWs) bands (ev): -5.6752 -5.6752 -4.5508 -4.5508 -3.2230 -3.2230 -3.2224 -3.2224 -0.7221 -0.7221 -0.2045 -0.2045 0.0975 0.0975 0.1417 0.1417 0.2229 0.2229 0.2491 0.2491 0.4134 0.4134 0.4673 0.4673 0.5527 0.5527 0.5762 0.5762 0.6266 0.6266 0.7924 0.7924 2.4567 2.4567 3.0864 3.0864 3.0921 3.0921 3.3802 3.3802 4.3841 4.3841 5.0485 5.0485 5.0529 5.0529 5.1470 5.1470 5.8871 5.8871 5.9064 5.9064 8.7679 8.7679 8.9072 8.9072 8.9185 8.9185 8.9290 8.9290 9.3022 9.3022 k = 0.3667 0.2645-0.0000 ( 5161 PWs) bands (ev): -5.6280 -5.6280 -4.6261 -4.6261 -3.2248 -3.2248 -3.2243 -3.2243 -0.6835 -0.6835 -0.2298 -0.2298 0.1020 0.1020 0.1453 0.1453 0.2158 0.2158 0.2412 0.2412 0.4128 0.4128 0.4658 0.4658 0.5520 0.5520 0.5742 0.5742 0.6398 0.6398 0.7900 0.7900 2.5128 2.5128 3.1203 3.1203 3.1256 3.1256 3.3780 3.3780 4.4371 4.4371 5.0612 5.0612 5.0650 5.0650 5.0780 5.0780 5.8605 5.8605 5.8787 5.8787 8.7960 8.7960 8.8163 8.8163 8.8268 8.8268 8.8682 8.8682 9.2339 9.2339 k = 0.3833 0.2765-0.0000 ( 5169 PWs) bands (ev): -5.5788 -5.5788 -4.7003 -4.7003 -3.2264 -3.2264 -3.2260 -3.2260 -0.6471 -0.6471 -0.2551 -0.2551 0.1069 0.1069 0.1491 0.1491 0.2084 0.2084 0.2333 0.2333 0.4131 0.4131 0.4630 0.4630 0.5518 0.5518 0.5721 0.5721 0.6535 0.6535 0.7867 0.7867 2.5727 2.5727 3.1523 3.1523 3.1570 3.1570 3.3666 3.3666 4.4870 4.4870 5.0133 5.0133 5.0707 5.0707 5.0744 5.0744 5.8410 5.8410 5.8579 5.8579 8.7324 8.7324 8.7426 8.7426 8.8087 8.8087 8.8152 8.8152 9.1919 9.1919 k = 0.4000 0.2885-0.0000 ( 5157 PWs) bands (ev): -5.5277 -5.5277 -4.7733 -4.7733 -3.2278 -3.2278 -3.2274 -3.2274 -0.6125 -0.6125 -0.2803 -0.2803 0.1120 0.1120 0.1530 0.1530 0.2009 0.2009 0.2257 0.2257 0.4141 0.4141 0.4594 0.4594 0.5520 0.5520 0.5700 0.5700 0.6674 0.6674 0.7827 0.7827 2.6359 2.6359 3.1816 3.1816 3.1857 3.1857 3.3454 3.3454 4.5336 4.5336 4.9589 4.9589 5.0745 5.0745 5.0779 5.0779 5.8281 5.8281 5.8434 5.8434 8.6579 8.6579 8.6671 8.6671 8.7652 8.7652 8.8035 8.8035 9.1824 9.1824 k = 0.4167 0.3005-0.0000 ( 5157 PWs) bands (ev): -5.4745 -5.4745 -4.8450 -4.8450 -3.2291 -3.2291 -3.2287 -3.2287 -0.5796 -0.5796 -0.3055 -0.3055 0.1175 0.1175 0.1571 0.1571 0.1934 0.1934 0.2184 0.2184 0.4159 0.4159 0.4553 0.4553 0.5525 0.5525 0.5679 0.5679 0.6811 0.6811 0.7777 0.7777 2.7019 2.7019 3.2078 3.2078 3.2113 3.2113 3.3147 3.3147 4.5768 4.5768 4.9118 4.9118 5.0748 5.0748 5.0778 5.0778 5.8210 5.8210 5.8344 5.8344 8.5930 8.5930 8.6011 8.6011 8.7247 8.7247 8.7786 8.7786 9.2031 9.2031 k = 0.4333 0.3125-0.0000 ( 5166 PWs) bands (ev): -5.4195 -5.4195 -4.9153 -4.9153 -3.2301 -3.2301 -3.2298 -3.2298 -0.5483 -0.5483 -0.3308 -0.3308 0.1234 0.1234 0.1608 0.1608 0.1862 0.1862 0.2113 0.2113 0.4182 0.4182 0.4507 0.4507 0.5532 0.5532 0.5658 0.5658 0.6943 0.6943 0.7719 0.7719 2.7699 2.7699 3.2301 3.2301 3.2329 3.2329 3.2751 3.2751 4.6165 4.6165 4.8712 4.8712 5.0727 5.0727 5.0752 5.0752 5.8183 5.8183 5.8294 5.8294 8.5387 8.5387 8.5454 8.5454 8.6921 8.6921 8.7456 8.7456 9.2448 9.2448 k = 0.4500 0.3246-0.0000 ( 5170 PWs) bands (ev): -5.3626 -5.3626 -4.9841 -4.9841 -3.2309 -3.2309 -3.2307 -3.2307 -0.5183 -0.5183 -0.3563 -0.3563 0.1296 0.1296 0.1633 0.1633 0.1805 0.1805 0.2046 0.2046 0.4211 0.4211 0.4461 0.4461 0.5542 0.5542 0.5638 0.5638 0.7069 0.7069 0.7653 0.7653 2.8393 2.8393 3.2256 3.2256 3.2488 3.2488 3.2514 3.2514 4.6528 4.6528 4.8358 4.8358 5.0693 5.0693 5.0713 5.0713 5.8186 5.8186 5.8271 5.8271 8.4957 8.4957 8.5009 8.5009 8.6680 8.6680 8.7125 8.7125 9.2998 9.2998 k = 0.4667 0.3366-0.0000 ( 5190 PWs) bands (ev): -5.3038 -5.3038 -5.0513 -5.0513 -3.2315 -3.2315 -3.2313 -3.2313 -0.4895 -0.4895 -0.3819 -0.3819 0.1361 0.1361 0.1618 0.1618 0.1791 0.1791 0.1982 0.1982 0.4244 0.4244 0.4413 0.4413 0.5554 0.5554 0.5619 0.5619 0.7188 0.7188 0.7577 0.7577 2.9091 2.9091 3.1712 3.1712 3.2621 3.2621 3.2637 3.2637 4.6861 4.6861 4.8042 4.8042 5.0661 5.0661 5.0674 5.0674 5.8203 5.8203 5.8262 5.8262 8.4647 8.4647 8.4683 8.4683 8.6529 8.6529 8.6841 8.6841 9.3635 9.3635 k = 0.4833 0.3486-0.0000 ( 5174 PWs) bands (ev): -5.2433 -5.2433 -5.1170 -5.1170 -3.2318 -3.2318 -3.2317 -3.2317 -0.4615 -0.4615 -0.4079 -0.4079 0.1428 0.1428 0.1564 0.1564 0.1821 0.1821 0.1923 0.1923 0.4282 0.4282 0.4368 0.4368 0.5569 0.5569 0.5601 0.5601 0.7298 0.7298 0.7493 0.7493 2.9784 2.9784 3.1108 3.1108 3.2705 3.2705 3.2713 3.2713 4.7169 4.7169 4.7748 4.7748 5.0638 5.0638 5.0645 5.0645 5.8225 5.8225 5.8254 5.8254 8.4463 8.4463 8.4481 8.4481 8.6470 8.6470 8.6630 8.6630 9.4333 9.4333 k = 0.5000 0.3606-0.0000 ( 5162 PWs) bands (ev): -5.1810 -5.1810 -5.1810 -5.1810 -3.2319 -3.2319 -3.2319 -3.2319 -0.4344 -0.4344 -0.4344 -0.4344 0.1497 0.1497 0.1497 0.1497 0.1868 0.1868 0.1868 0.1868 0.4324 0.4324 0.4324 0.4324 0.5585 0.5585 0.5585 0.5585 0.7400 0.7400 0.7400 0.7400 3.0460 3.0460 3.0460 3.0460 3.2736 3.2736 3.2736 3.2736 4.7461 4.7461 4.7461 4.7461 5.0633 5.0633 5.0633 5.0633 5.8243 5.8243 5.8243 5.8243 8.4407 8.4407 8.4407 8.4407 8.6504 8.6504 8.6504 8.6504 9.5080 9.5080 k = 0.5000 0.3606-0.0000 ( 5162 PWs) bands (ev): -5.1810 -5.1810 -5.1810 -5.1810 -3.2319 -3.2319 -3.2319 -3.2319 -0.4344 -0.4344 -0.4344 -0.4344 0.1497 0.1497 0.1497 0.1497 0.1868 0.1868 0.1868 0.1868 0.4324 0.4324 0.4324 0.4324 0.5585 0.5585 0.5585 0.5585 0.7400 0.7400 0.7400 0.7400 3.0460 3.0460 3.0460 3.0460 3.2736 3.2736 3.2736 3.2736 4.7461 4.7461 4.7461 4.7461 5.0633 5.0633 5.0633 5.0633 5.8243 5.8243 5.8243 5.8243 8.4407 8.4407 8.4407 8.4407 8.6504 8.6504 8.6504 8.6504 9.5080 9.5080 k = 0.4916 0.3723 0.0144 ( 5170 PWs) bands (ev): -5.1806 -5.1806 -5.1800 -5.1800 -3.2351 -3.2349 -3.2318 -3.2318 -0.4360 -0.4340 -0.4335 -0.4322 0.1428 0.1451 0.1542 0.1569 0.1732 0.1821 0.1924 0.2011 0.4260 0.4300 0.4351 0.4384 0.5523 0.5582 0.5586 0.5645 0.7363 0.7399 0.7413 0.7487 3.0405 3.0423 3.0427 3.0432 3.2728 3.2733 3.2763 3.2775 4.7348 4.7385 4.7455 4.7456 5.0606 5.0614 5.0699 5.0728 5.8194 5.8197 5.8248 5.8269 8.4315 8.4320 8.4441 8.4453 8.6556 8.6561 8.6632 8.6635 9.5132 9.5138 k = 0.4832 0.3839 0.0287 ( 5164 PWs) bands (ev): -5.1792 -5.1792 -5.1772 -5.1771 -3.2444 -3.2442 -3.2315 -3.2314 -0.4374 -0.4328 -0.4309 -0.4288 0.1362 0.1404 0.1579 0.1593 0.1653 0.1789 0.1988 0.2158 0.4195 0.4281 0.4380 0.4440 0.5465 0.5578 0.5586 0.5697 0.7332 0.7421 0.7464 0.7635 3.0270 3.0306 3.0330 3.0336 3.2712 3.2722 3.2850 3.2872 4.7072 4.7139 4.7435 4.7435 5.0539 5.0555 5.0905 5.0957 5.8053 5.8059 5.8284 5.8324 8.4097 8.4105 8.4555 8.4578 8.6718 8.6727 8.6965 8.6970 9.5295 9.5307 k = 0.4748 0.3956 0.0431 ( 5166 PWs) bands (ev): -5.1771 -5.1771 -5.1724 -5.1723 -3.2598 -3.2595 -3.2310 -3.2309 -0.4386 -0.4313 -0.4266 -0.4240 0.1303 0.1356 0.1480 0.1597 0.1721 0.1782 0.2059 0.2305 0.4130 0.4266 0.4411 0.4491 0.5414 0.5573 0.5585 0.5736 0.7292 0.7421 0.7614 0.7843 3.0071 3.0122 3.0170 3.0178 3.2687 3.2701 3.2984 3.3012 4.6680 4.6766 4.7400 4.7402 5.0428 5.0450 5.1211 5.1276 5.7824 5.7834 5.8351 5.8411 8.3836 8.3847 8.4748 8.4782 8.6986 8.6999 8.7416 8.7423 9.5568 9.5588 k = 0.4664 0.4073 0.0575 ( 5168 PWs) bands (ev): -5.1741 -5.1741 -5.1657 -5.1656 -3.2808 -3.2804 -3.2303 -3.2302 -0.4397 -0.4298 -0.4209 -0.4178 0.1249 0.1305 0.1378 0.1590 0.1790 0.1807 0.2135 0.2447 0.4068 0.4257 0.4442 0.4538 0.5371 0.5566 0.5583 0.5759 0.7244 0.7412 0.7853 0.8112 2.9824 2.9886 2.9952 2.9962 3.2652 3.2671 3.3150 3.3180 4.6207 4.6307 4.7353 4.7356 5.0270 5.0296 5.1580 5.1652 5.7513 5.7526 5.8452 5.8528 8.3583 8.3596 8.5020 8.5065 8.7357 8.7374 8.7930 8.7938 9.5953 9.5981 k = 0.4580 0.4189 0.0719 ( 5168 PWs) bands (ev): -5.1703 -5.1703 -5.1571 -5.1570 -3.3071 -3.3066 -3.2294 -3.2293 -0.4407 -0.4285 -0.4139 -0.4104 0.1203 0.1237 0.1303 0.1567 0.1854 0.1857 0.2217 0.2581 0.4009 0.4253 0.4471 0.4581 0.5334 0.5557 0.5579 0.5769 0.7188 0.7397 0.8178 0.8443 2.9542 2.9613 2.9683 2.9694 3.2607 3.2631 3.3337 3.3367 4.5679 4.5788 4.7292 4.7297 5.0061 5.0090 5.1989 5.2066 5.7126 5.7143 5.8586 5.8678 8.3360 8.3375 8.5371 8.5427 8.7827 8.7847 8.8477 8.8488 9.6446 9.6484 k = 0.4496 0.4306 0.0862 ( 5180 PWs) bands (ev): -5.1659 -5.1659 -5.1466 -5.1465 -3.3380 -3.3374 -3.2283 -3.2282 -0.4418 -0.4272 -0.4060 -0.4022 0.1155 0.1163 0.1252 0.1540 0.1912 0.1918 0.2304 0.2702 0.3955 0.4255 0.4497 0.4622 0.5302 0.5546 0.5572 0.5769 0.7126 0.7374 0.8583 0.8836 2.9234 2.9311 2.9367 2.9382 3.2549 3.2578 3.3536 3.3566 4.5111 4.5225 4.7220 4.7228 4.9800 4.9830 5.2426 5.2505 5.6673 5.6694 5.8753 5.8860 8.3179 8.3196 8.5800 8.5866 8.8388 8.8412 8.9042 8.9056 9.7047 9.7095 k = 0.4411 0.4422 0.1006 ( 5186 PWs) bands (ev): -5.1609 -5.1609 -5.1342 -5.1340 -3.3731 -3.3725 -3.2270 -3.2269 -0.4429 -0.4263 -0.3972 -0.3932 0.1075 0.1128 0.1210 0.1513 0.1974 0.1975 0.2394 0.2808 0.3907 0.4264 0.4518 0.4663 0.5276 0.5534 0.5564 0.5766 0.7058 0.7344 0.9063 0.9293 2.8908 2.8983 2.9011 2.9036 3.2479 3.2513 3.3743 3.3771 4.4513 4.4631 4.7140 4.7151 4.9484 4.9514 5.2881 5.2962 5.6163 5.6188 5.8954 5.9073 8.3045 8.3062 8.6305 8.6380 8.9036 8.9061 8.9615 8.9633 9.7751 9.7810 k = 0.4327 0.4539 0.1150 ( 5194 PWs) bands (ev): -5.1555 -5.1555 -5.1199 -5.1198 -3.4117 -3.4110 -3.2256 -3.2255 -0.4442 -0.4256 -0.3880 -0.3840 0.1001 0.1099 0.1171 0.1491 0.2026 0.2041 0.2486 0.2897 0.3865 0.4277 0.4533 0.4702 0.5254 0.5521 0.5553 0.5760 0.6984 0.7307 0.9611 0.9813 2.8570 2.8616 2.8624 2.8685 3.2394 3.2434 3.3956 3.3981 4.3894 4.4015 4.7054 4.7068 4.9113 4.9142 5.3350 5.3432 5.5607 5.5637 5.9187 5.9317 8.2957 8.2976 8.6884 8.6968 8.9762 8.9789 9.0192 9.0214 9.8551 9.8623 k = 0.4243 0.4655 0.1294 ( 5198 PWs) bands (ev): -5.1498 -5.1497 -5.1038 -5.1036 -3.4531 -3.4523 -3.2241 -3.2239 -0.4456 -0.4255 -0.3786 -0.3745 0.0936 0.1074 0.1134 0.1473 0.2072 0.2109 0.2580 0.2969 0.3828 0.4296 0.4542 0.4739 0.5235 0.5507 0.5539 0.5756 0.6908 0.7265 1.0221 1.0393 2.8210 2.8212 2.8225 2.8341 3.2293 3.2339 3.4171 3.4192 4.3260 4.3382 4.6967 4.6986 4.8689 4.8715 5.3828 5.3909 5.5013 5.5051 5.9450 5.9587 8.2916 8.2936 8.7532 8.7623 9.0558 9.0586 9.0773 9.0799 9.9440 9.9526 k = 0.4159 0.4772 0.1437 ( 5182 PWs) bands (ev): -5.1439 -5.1439 -5.0858 -5.0856 -3.4966 -3.4958 -3.2224 -3.2222 -0.4474 -0.4259 -0.3690 -0.3651 0.0878 0.1051 0.1099 0.1462 0.2113 0.2176 0.2674 0.3027 0.3798 0.4319 0.4546 0.4773 0.5218 0.5495 0.5522 0.5755 0.6829 0.7219 1.0886 1.1029 2.7782 2.7784 2.7878 2.7998 3.2175 3.2227 3.4386 3.4404 4.2617 4.2740 4.6884 4.6907 4.8215 4.8238 5.4310 5.4326 5.4393 5.4501 5.9738 5.9882 8.2921 8.2941 8.8244 8.8342 9.1351 9.1387 9.1422 9.1445 10.0409 10.0510 k = 0.4075 0.4889 0.1581 ( 5178 PWs) bands (ev): -5.1381 -5.1381 -5.0660 -5.0658 -3.5416 -3.5408 -3.2206 -3.2204 -0.4495 -0.4270 -0.3595 -0.3558 0.0826 0.1030 0.1064 0.1459 0.2148 0.2243 0.2767 0.3071 0.3773 0.4346 0.4542 0.4803 0.5203 0.5484 0.5500 0.5758 0.6749 0.7169 1.1599 1.1714 2.7343 2.7347 2.7532 2.7659 3.2038 3.2096 3.4600 3.4613 4.1969 4.2092 4.6810 4.6838 4.7695 4.7713 5.3754 5.3788 5.4793 5.4892 6.0047 6.0196 8.2970 8.2990 8.9015 8.9118 9.1943 9.1980 9.2330 9.2355 10.1449 10.1565 k = 0.3991 0.5005 0.1725 ( 5180 PWs) bands (ev): -5.1326 -5.1326 -5.0444 -5.0442 -3.5874 -3.5865 -3.2187 -3.2184 -0.4522 -0.4290 -0.3502 -0.3468 0.0781 0.1008 0.1031 0.1464 0.2177 0.2306 0.2859 0.3107 0.3752 0.4374 0.4530 0.4827 0.5189 0.5473 0.5477 0.5766 0.6671 0.7116 1.2351 1.2441 2.6905 2.6911 2.7192 2.7325 3.1882 3.1945 3.4810 3.4819 4.1322 4.1445 4.6750 4.6782 4.7133 4.7146 5.3108 5.3150 5.5273 5.5370 6.0373 6.0525 8.3059 8.3080 8.9837 8.9944 9.2538 9.2580 9.3284 9.3307 10.2552 10.2683 k = 0.3907 0.5122 0.1868 ( 5179 PWs) bands (ev): -5.1277 -5.1277 -5.0210 -5.0207 -3.6332 -3.6324 -3.2167 -3.2164 -0.4555 -0.4320 -0.3410 -0.3380 0.0741 0.0985 0.0998 0.1477 0.2200 0.2365 0.2947 0.3139 0.3734 0.4403 0.4510 0.4846 0.5176 0.5441 0.5473 0.5780 0.6596 0.7063 1.3131 1.3199 2.6477 2.6486 2.6861 2.7000 3.1704 3.1773 3.5013 3.5016 4.0679 4.0802 4.6527 4.6538 4.6712 4.6750 5.2464 5.2511 5.5745 5.5842 6.0710 6.0864 8.3187 8.3208 9.0702 9.0812 9.3141 9.3188 9.4269 9.4290 10.3708 10.3855 k = 0.3823 0.5238 0.2012 ( 5181 PWs) bands (ev): -5.1238 -5.1237 -4.9959 -4.9956 -3.6784 -3.6775 -3.2146 -3.2143 -0.4595 -0.4361 -0.3321 -0.3295 0.0707 0.0961 0.0966 0.1500 0.2216 0.2417 0.3029 0.3168 0.3719 0.4433 0.4480 0.4863 0.5162 0.5403 0.5471 0.5802 0.6526 0.7010 1.3927 1.3974 2.6071 2.6085 2.6542 2.6687 3.1506 3.1581 3.5204 3.5205 4.0045 4.0167 4.5896 4.5901 4.6694 4.6735 5.1831 5.1884 5.6206 5.6304 6.1053 6.1207 8.3352 8.3373 9.1600 9.1712 9.3752 9.3802 9.5271 9.5288 10.4911 10.5074 k = 0.3739 0.5355 0.2156 ( 5179 PWs) bands (ev): -5.1210 -5.1210 -4.9690 -4.9686 -3.7223 -3.7214 -3.2125 -3.2122 -0.4644 -0.4415 -0.3234 -0.3213 0.0678 0.0934 0.0936 0.1531 0.2225 0.2462 0.3104 0.3199 0.3707 0.4443 0.4462 0.4880 0.5148 0.5360 0.5469 0.5831 0.6462 0.6960 1.4722 1.4752 2.5704 2.5724 2.6238 2.6388 3.1288 3.1368 3.5376 3.5384 3.9423 3.9545 4.5235 4.5235 4.6703 4.6746 5.1220 5.1278 5.6652 5.6750 6.1395 6.1548 8.3551 8.3571 9.2523 9.2634 9.4370 9.4423 9.6274 9.6286 10.6153 10.6331 k = 0.3655 0.5471 0.2300 ( 5189 PWs) bands (ev): -5.1199 -5.1198 -4.9404 -4.9400 -3.7642 -3.7633 -3.2104 -3.2101 -0.4703 -0.4483 -0.3150 -0.3133 0.0653 0.0906 0.0906 0.1568 0.2225 0.2498 0.3167 0.3233 0.3696 0.4400 0.4490 0.4899 0.5133 0.5312 0.5468 0.5868 0.6407 0.6913 1.5494 1.5508 2.5397 2.5423 2.5951 2.6105 3.1051 3.1137 3.5529 3.5543 3.8816 3.8937 4.4545 4.4551 4.6738 4.6781 5.0643 5.0706 5.7078 5.7176 6.1731 6.1881 8.3782 8.3802 9.3457 9.3567 9.4992 9.5047 9.7256 9.7263 10.7427 10.7620 k = 0.3571 0.5588 0.2443 ( 5189 PWs) bands (ev): -5.1208 -5.1208 -4.9101 -4.9097 -3.8033 -3.8024 -3.2082 -3.2079 -0.4773 -0.4566 -0.3067 -0.3055 0.0631 0.0876 0.0879 0.1612 0.2216 0.2526 0.3216 0.3271 0.3687 0.4357 0.4516 0.4920 0.5114 0.5264 0.5466 0.5910 0.6361 0.6871 1.6214 1.6214 2.5177 2.5210 2.5682 2.5840 3.0797 3.0888 3.5657 3.5677 3.8228 3.8349 4.3838 4.3848 4.6798 4.6840 5.0114 5.0180 5.7480 5.7578 6.2054 6.2202 8.4042 8.4062 9.4393 9.4501 9.5613 9.5668 9.8190 9.8191 10.8726 10.8934 k = 0.3487 0.5705 0.2587 ( 5177 PWs) bands (ev): -5.1242 -5.1241 -4.8782 -4.8778 -3.8392 -3.8383 -3.2061 -3.2058 -0.4856 -0.4667 -0.2987 -0.2980 0.0611 0.0845 0.0854 0.1661 0.2197 0.2546 0.3246 0.3311 0.3679 0.4321 0.4539 0.4943 0.5091 0.5219 0.5465 0.5956 0.6327 0.6835 1.6833 1.6845 2.5081 2.5121 2.5433 2.5593 3.0528 3.0625 3.5753 3.5780 3.7662 3.7782 4.3116 4.3131 4.6876 4.6913 4.9650 4.9716 5.7854 5.7952 6.2360 6.2504 8.4331 8.4349 9.5315 9.5423 9.6229 9.6279 9.9040 9.9045 11.0045 11.0265 k = 0.3403 0.5821 0.2731 ( 5157 PWs) bands (ev): -5.1303 -5.1302 -4.8447 -4.8443 -3.8711 -3.8702 -3.2040 -3.2036 -0.4954 -0.4785 -0.2908 -0.2905 0.0593 0.0813 0.0833 0.1713 0.2165 0.2560 0.3258 0.3353 0.3674 0.4296 0.4555 0.4968 0.5062 0.5183 0.5466 0.6002 0.6306 0.6804 1.7325 1.7346 2.5149 2.5191 2.5206 2.5366 3.0249 3.0351 3.5813 3.5846 3.7120 3.7241 4.2384 4.2404 4.6961 4.6987 4.9275 4.9334 5.8197 5.8293 6.2643 6.2781 8.4645 8.4661 9.6203 9.6315 9.6839 9.6875 9.9771 9.9783 11.1373 11.1574 k = 0.3318 0.5938 0.2875 ( 5161 PWs) bands (ev): -5.1397 -5.1395 -4.8096 -4.8092 -3.8985 -3.8976 -3.2020 -3.2016 -0.5068 -0.4923 -0.2832 -0.2831 0.0575 0.0781 0.0815 0.1766 0.2120 0.2569 0.3251 0.3391 0.3670 0.4283 0.4562 0.4991 0.5032 0.5156 0.5472 0.6043 0.6300 0.6778 1.7657 1.7682 2.4994 2.5154 2.5415 2.5460 2.9964 3.0071 3.5829 3.5868 3.6606 3.6727 4.1645 4.1670 4.7034 4.7040 4.9019 4.9063 5.8503 5.8597 6.2897 6.3029 8.4981 8.4996 9.6998 9.7117 9.7477 9.7495 10.0349 10.0367 11.2258 11.2490 k = 0.3234 0.6054 0.3018 ( 5165 PWs) bands (ev): -5.1524 -5.1522 -4.7730 -4.7726 -3.9211 -3.9202 -3.2000 -3.1996 -0.5199 -0.5080 -0.2759 -0.2755 0.0556 0.0749 0.0803 0.1819 0.2061 0.2576 0.3231 0.3424 0.3670 0.4283 0.4554 0.5008 0.5012 0.5135 0.5485 0.6078 0.6312 0.6757 1.7817 1.7841 2.4803 2.4963 2.5886 2.5931 2.9677 2.9789 3.5796 3.5841 3.6122 3.6243 4.0904 4.0932 4.7050 4.7073 4.8910 4.8930 5.8769 5.8859 6.3117 6.3242 8.5338 8.5352 9.7598 9.7694 9.8227 9.8253 10.0750 10.0772 11.2833 11.3043 k = 0.3150 0.6171 0.3162 ( 5163 PWs) bands (ev): -5.1687 -5.1685 -4.7349 -4.7345 -3.9385 -3.9377 -3.1981 -3.1977 -0.5349 -0.5258 -0.2687 -0.2680 0.0535 0.0717 0.0797 0.1869 0.1989 0.2584 0.3204 0.3447 0.3673 0.4292 0.4532 0.5008 0.5017 0.5117 0.5507 0.6105 0.6340 0.6741 1.7819 1.7838 2.4630 2.4786 2.6547 2.6588 2.9395 2.9510 3.5662 3.5719 3.5756 3.5797 4.0162 4.0195 4.7013 4.7067 4.8948 4.8955 5.8989 5.9076 6.3299 6.3416 8.5714 8.5724 9.8022 9.8090 9.9052 9.9089 10.0972 10.0997 11.3502 11.3684 k = 0.3150 0.6171 0.3162 ( 5163 PWs) bands (ev): -5.1687 -5.1685 -4.7349 -4.7345 -3.9385 -3.9377 -3.1981 -3.1977 -0.5349 -0.5258 -0.2687 -0.2680 0.0535 0.0717 0.0797 0.1869 0.1989 0.2584 0.3204 0.3447 0.3673 0.4292 0.4532 0.5008 0.5017 0.5117 0.5507 0.6105 0.6340 0.6741 1.7819 1.7838 2.4630 2.4786 2.6547 2.6588 2.9395 2.9510 3.5662 3.5719 3.5756 3.5797 4.0162 4.0195 4.7013 4.7067 4.8948 4.8955 5.8989 5.9076 6.3299 6.3416 8.5714 8.5724 9.8022 9.8090 9.9052 9.9089 10.0972 10.0997 11.3502 11.3684 k = 0.2965 0.6118 0.3227 ( 5164 PWs) bands (ev): -5.1796 -5.1795 -4.7150 -4.7145 -3.9431 -3.9422 -3.1978 -3.1974 -0.5440 -0.5363 -0.2656 -0.2632 0.0525 0.0702 0.0797 0.1873 0.1964 0.2595 0.3183 0.3458 0.3677 0.4298 0.4515 0.5009 0.5019 0.5112 0.5526 0.6118 0.6344 0.6752 1.7753 1.7804 2.4569 2.4725 2.6892 2.6931 2.9233 2.9350 3.5330 3.5375 3.5837 3.5865 3.9883 3.9925 4.6990 4.7054 4.9000 4.9020 5.9007 5.9093 6.3406 6.3517 8.5933 8.5945 9.8152 9.8211 9.9356 9.9392 10.1134 10.1164 11.3873 11.4047 k = 0.2780 0.6065 0.3293 ( 5166 PWs) bands (ev): -5.1947 -5.1946 -4.6923 -4.6918 -3.9429 -3.9421 -3.1988 -3.1983 -0.5565 -0.5503 -0.2617 -0.2574 0.0516 0.0684 0.0797 0.1819 0.1988 0.2618 0.3154 0.3470 0.3683 0.4302 0.4490 0.5003 0.5023 0.5113 0.5559 0.6138 0.6325 0.6797 1.7655 1.7749 2.4546 2.4704 2.7224 2.7260 2.9008 2.9126 3.4947 3.4973 3.5914 3.5960 3.9748 3.9805 4.6970 4.7040 4.9066 4.9098 5.8898 5.8985 6.3555 6.3658 8.6241 8.6258 9.8232 9.8284 9.9480 9.9514 10.1531 10.1571 11.4271 11.4432 k = 0.2594 0.6012 0.3358 ( 5165 PWs) bands (ev): -5.2122 -5.2120 -4.6690 -4.6685 -3.9377 -3.9368 -3.2012 -3.2007 -0.5720 -0.5673 -0.2571 -0.2512 0.0508 0.0666 0.0795 0.1734 0.2036 0.2648 0.3122 0.3477 0.3689 0.4298 0.4463 0.4985 0.5035 0.5121 0.5601 0.6165 0.6298 0.6867 1.7546 1.7679 2.4559 2.4719 2.7515 2.7547 2.8736 2.8854 3.4516 3.4529 3.5997 3.6057 3.9773 3.9841 4.6951 4.7022 4.9142 4.9185 5.8691 5.8780 6.3707 6.3801 8.6635 8.6658 9.8279 9.8326 9.9472 9.9506 10.2133 10.2182 11.4513 11.4572 k = 0.2409 0.5959 0.3424 ( 5168 PWs) bands (ev): -5.2307 -5.2306 -4.6467 -4.6463 -3.9271 -3.9262 -3.2051 -3.2046 -0.5901 -0.5866 -0.2522 -0.2449 0.0502 0.0648 0.0792 0.1638 0.2094 0.2682 0.3090 0.3480 0.3692 0.4280 0.4442 0.4959 0.5055 0.5134 0.5644 0.6189 0.6290 0.6953 1.7439 1.7605 2.4598 2.4758 2.7743 2.7772 2.8439 2.8553 3.4040 3.4049 3.6113 3.6182 3.9935 4.0007 4.6927 4.6996 4.9232 4.9284 5.8414 5.8504 6.3829 6.3913 8.7112 8.7140 9.8308 9.8351 9.9415 9.9453 10.2880 10.2937 11.4354 11.4401 k = 0.2224 0.5906 0.3489 ( 5174 PWs) bands (ev): -5.2495 -5.2494 -4.6268 -4.6263 -3.9110 -3.9100 -3.2108 -3.2102 -0.6101 -0.6078 -0.2472 -0.2388 0.0497 0.0631 0.0786 0.1536 0.2158 0.2718 0.3061 0.3478 0.3691 0.4243 0.4433 0.4928 0.5080 0.5149 0.5683 0.6181 0.6342 0.7049 1.7344 1.7536 2.4652 2.4808 2.7887 2.7903 2.8152 2.8250 3.3548 3.3552 3.6273 3.6346 4.0199 4.0269 4.6894 4.6957 4.9344 4.9403 5.8087 5.8177 6.3896 6.3970 8.7667 8.7700 9.8324 9.8364 9.9367 9.9411 10.3736 10.3800 11.4078 11.4132 k = 0.2038 0.5853 0.3554 ( 5171 PWs) bands (ev): -5.2680 -5.2679 -4.6096 -4.6093 -3.8895 -3.8886 -3.2184 -3.2178 -0.6318 -0.6302 -0.2422 -0.2332 0.0494 0.0614 0.0779 0.1433 0.2226 0.2753 0.3037 0.3472 0.3684 0.4191 0.4434 0.4895 0.5111 0.5166 0.5712 0.6155 0.6443 0.7152 1.7268 1.7480 2.4703 2.4851 2.7778 2.7904 2.7957 2.8087 3.3068 3.3076 3.6477 3.6551 4.0529 4.0593 4.6847 4.6904 4.9485 4.9549 5.7724 5.7814 6.3894 6.3959 8.8295 8.8332 9.8324 9.8362 9.9365 9.9419 10.4680 10.4752 11.3790 11.3842 k = 0.1853 0.5800 0.3620 ( 5174 PWs) bands (ev): -5.2856 -5.2855 -4.5956 -4.5953 -3.8632 -3.8622 -3.2280 -3.2274 -0.6544 -0.6531 -0.2375 -0.2281 0.0493 0.0598 0.0771 0.1332 0.2295 0.2785 0.3020 0.3462 0.3673 0.4133 0.4440 0.4859 0.5143 0.5184 0.5732 0.6128 0.6573 0.7258 1.7216 1.7439 2.4737 2.4871 2.7524 2.7625 2.7932 2.8055 3.2625 3.2648 3.6720 3.6795 4.0893 4.0947 4.6790 4.6838 4.9661 4.9728 5.7337 5.7425 6.3816 6.3873 8.8989 8.9030 9.8302 9.8337 9.9431 9.9496 10.5701 10.5780 11.3510 11.3556 k = 0.1668 0.5747 0.3685 ( 5173 PWs) bands (ev): -5.3020 -5.3019 -4.5846 -4.5843 -3.8325 -3.8315 -3.2399 -3.2391 -0.6775 -0.6761 -0.2330 -0.2236 0.0493 0.0584 0.0760 0.1234 0.2364 0.2810 0.3012 0.3449 0.3659 0.4072 0.4449 0.4823 0.5176 0.5202 0.5746 0.6102 0.6723 0.7365 1.7190 1.7418 2.4739 2.4855 2.7276 2.7352 2.7850 2.7987 3.2238 3.2278 3.6997 3.7070 4.1261 4.1304 4.6731 4.6773 4.9871 4.9940 5.6936 5.7021 6.3664 6.3713 8.9744 8.9786 9.8257 9.8290 9.9564 9.9642 10.6785 10.6874 11.3246 11.3286 k = 0.1482 0.5694 0.3751 ( 5175 PWs) bands (ev): -5.3171 -5.3171 -4.5763 -4.5760 -3.7983 -3.7973 -3.2540 -3.2532 -0.7003 -0.6987 -0.2288 -0.2198 0.0496 0.0573 0.0748 0.1141 0.2431 0.2826 0.3015 0.3433 0.3645 0.4013 0.4458 0.4788 0.5208 0.5221 0.5756 0.6077 0.6884 0.7470 1.7189 1.7414 2.4701 2.4799 2.7026 2.7072 2.7759 2.7904 3.1912 3.1969 3.7300 3.7372 4.1603 4.1635 4.6685 4.6725 5.0112 5.0181 5.6528 5.6611 6.3442 6.3486 9.0552 9.0595 9.8200 9.8228 9.9743 9.9832 10.7918 10.8019 11.3003 11.3037 k = 0.1297 0.5641 0.3816 ( 5172 PWs) bands (ev): -5.3307 -5.3307 -4.5702 -4.5700 -3.7615 -3.7605 -3.2704 -3.2696 -0.7220 -0.7204 -0.2250 -0.2166 0.0499 0.0565 0.0736 0.1056 0.2494 0.2831 0.3031 0.3414 0.3631 0.3956 0.4469 0.4753 0.5234 0.5242 0.5766 0.6054 0.7048 0.7570 1.7211 1.7428 2.4624 2.4708 2.6742 2.6767 2.7710 2.7853 3.1640 3.1710 3.7621 3.7691 4.1889 4.1913 4.6672 4.6716 5.0376 5.0443 5.6125 5.6204 6.3163 6.3203 9.1405 9.1449 9.8138 9.8162 9.9930 10.0030 10.9073 10.9192 11.2785 11.2814 k = 0.1112 0.5588 0.3881 ( 5167 PWs) bands (ev): -5.3427 -5.3426 -4.5660 -4.5658 -3.7230 -3.7220 -3.2893 -3.2884 -0.7422 -0.7406 -0.2216 -0.2140 0.0505 0.0559 0.0723 0.0977 0.2552 0.2829 0.3055 0.3395 0.3620 0.3902 0.4480 0.4720 0.5253 0.5267 0.5778 0.6031 0.7210 0.7662 1.7253 1.7454 2.4521 2.4597 2.6406 2.6446 2.7721 2.7857 3.1411 3.1490 3.7952 3.8019 4.2089 4.2116 4.6711 4.6762 5.0648 5.0714 5.5738 5.5812 6.2844 6.2881 9.2293 9.2337 9.8079 9.8099 10.0084 10.0193 11.0197 11.0343 11.2599 11.2622 k = 0.0927 0.5534 0.3947 ( 5167 PWs) bands (ev): -5.3529 -5.3529 -4.5631 -4.5630 -3.6837 -3.6827 -3.3103 -3.3095 -0.7603 -0.7588 -0.2187 -0.2120 0.0512 0.0557 0.0710 0.0906 0.2603 0.2822 0.3086 0.3374 0.3612 0.3851 0.4492 0.4690 0.5269 0.5289 0.5791 0.6008 0.7363 0.7742 1.7311 1.7490 2.4411 2.4483 2.6051 2.6111 2.7783 2.7909 3.1216 3.1298 3.8284 3.8348 4.2194 4.2228 4.6813 4.6868 5.0913 5.0976 5.5382 5.5450 6.2506 6.2538 9.3204 9.3248 9.8028 9.8043 10.0159 10.0274 11.1151 11.1332 11.2463 11.2484 k = 0.0741 0.5481 0.4012 ( 5165 PWs) bands (ev): -5.3614 -5.3613 -4.5613 -4.5612 -3.6447 -3.6437 -3.3334 -3.3326 -0.7758 -0.7745 -0.2161 -0.2105 0.0521 0.0558 0.0697 0.0844 0.2647 0.2813 0.3119 0.3352 0.3609 0.3803 0.4505 0.4661 0.5284 0.5306 0.5806 0.5985 0.7503 0.7807 1.7377 1.7529 2.4312 2.4381 2.5711 2.5783 2.7877 2.7990 3.1050 3.1128 3.8605 3.8664 4.2210 4.2249 4.6969 4.7023 5.1152 5.1209 5.5074 5.5133 6.2172 6.2200 9.4119 9.4164 9.7988 9.8000 10.0112 10.0227 11.1639 11.1796 11.2422 11.2489 k = 0.0556 0.5428 0.4077 ( 5164 PWs) bands (ev): -5.3680 -5.3680 -4.5602 -4.5601 -3.6072 -3.6062 -3.3579 -3.3570 -0.7883 -0.7872 -0.2139 -0.2096 0.0531 0.0560 0.0687 0.0790 0.2684 0.2802 0.3154 0.3330 0.3611 0.3759 0.4519 0.4635 0.5298 0.5318 0.5824 0.5962 0.7625 0.7853 1.7445 1.7564 2.4237 2.4301 2.5410 2.5484 2.7983 2.8077 3.0913 3.0982 3.8900 3.8951 4.2162 4.2200 4.7153 4.7200 5.1346 5.1394 5.4830 5.4877 6.1869 6.1892 9.5012 9.5058 9.7967 9.7974 9.9919 10.0027 11.1667 11.1766 11.2436 11.2527 k = 0.0371 0.5375 0.4143 ( 5166 PWs) bands (ev): -5.3727 -5.3727 -4.5596 -4.5595 -3.5731 -3.5722 -3.3822 -3.3814 -0.7974 -0.7966 -0.2121 -0.2092 0.0543 0.0563 0.0680 0.0746 0.2714 0.2789 0.3188 0.3306 0.3620 0.3720 0.4534 0.4611 0.5309 0.5324 0.5845 0.5938 0.7725 0.7877 1.7506 1.7589 2.4194 2.4247 2.5174 2.5238 2.8082 2.8150 3.0811 3.0863 3.9148 3.9186 4.2083 4.2115 4.7328 4.7363 5.1483 5.1518 5.4662 5.4695 6.1627 6.1643 9.5833 9.5878 9.7974 9.7978 9.9588 9.9680 11.1586 11.1648 11.2449 11.2519 k = 0.0185 0.5322 0.4208 ( 5164 PWs) bands (ev): -5.3756 -5.3756 -4.5593 -4.5592 -3.5464 -3.5458 -3.4027 -3.4022 -0.8028 -0.8025 -0.2107 -0.2093 0.0554 0.0564 0.0680 0.0712 0.2739 0.2775 0.3221 0.3281 0.3635 0.3686 0.4550 0.4589 0.5318 0.5326 0.5867 0.5914 0.7801 0.7877 1.7556 1.7598 2.4182 2.4214 2.5028 2.5066 2.8157 2.8193 3.0752 3.0780 3.9320 3.9341 4.2016 4.2034 4.7457 4.7476 5.1563 5.1582 5.4570 5.4587 6.1471 6.1479 9.6479 9.6513 9.8034 9.8039 9.9195 9.9258 11.1529 11.1560 11.2471 11.2509 k = 0.0000 0.5269 0.4274 ( 5160 PWs) bands (ev): -5.3765 -5.3765 -4.5592 -4.5592 -3.5352 -3.5352 -3.4114 -3.4114 -0.8046 -0.8046 -0.2098 -0.2098 0.0561 0.0561 0.0690 0.0690 0.2759 0.2759 0.3252 0.3252 0.3657 0.3657 0.4569 0.4569 0.5324 0.5324 0.5890 0.5890 0.7852 0.7852 1.7587 1.7587 2.4192 2.4192 2.4990 2.4990 2.8197 2.8197 3.0742 3.0742 3.9390 3.9390 4.1996 4.1996 4.7510 4.7510 5.1595 5.1595 5.4547 5.4547 6.1419 6.1419 9.6754 9.6754 9.8110 9.8110 9.8992 9.8992 11.1520 11.1520 11.2494 11.2494 k = 0.0000 0.5269 0.4274 ( 5160 PWs) bands (ev): -5.3765 -5.3765 -4.5592 -4.5592 -3.5352 -3.5352 -3.4114 -3.4114 -0.8046 -0.8046 -0.2098 -0.2098 0.0561 0.0561 0.0690 0.0690 0.2759 0.2759 0.3252 0.3252 0.3657 0.3657 0.4569 0.4569 0.5324 0.5324 0.5890 0.5890 0.7852 0.7852 1.7587 1.7587 2.4192 2.4192 2.4990 2.4990 2.8197 2.8197 3.0742 3.0742 3.9390 3.9390 4.1996 4.1996 4.7510 4.7510 5.1595 5.1595 5.4547 5.4547 6.1419 6.1419 9.6754 9.6754 9.8110 9.8110 9.8992 9.8992 11.1520 11.1520 11.2494 11.2494 k = 0.0083 0.5154 0.4416 ( 5168 PWs) bands (ev): -5.3757 -5.3757 -4.5588 -4.5588 -3.5362 -3.5361 -3.4117 -3.4117 -0.8040 -0.8037 -0.2106 -0.2092 0.0556 0.0567 0.0689 0.0693 0.2737 0.2779 0.3238 0.3263 0.3651 0.3664 0.4557 0.4581 0.5318 0.5328 0.5869 0.5910 0.7827 0.7852 1.7486 1.7508 2.4199 2.4226 2.4998 2.4999 2.8215 2.8230 3.0700 3.0704 3.9417 3.9428 4.2039 4.2057 4.7547 4.7552 5.1612 5.1612 5.4555 5.4560 6.1408 6.1417 9.6752 9.6753 9.8114 9.8115 9.8946 9.8950 11.1508 11.1523 11.2525 11.2529 k = 0.0167 0.5038 0.4559 ( 5166 PWs) bands (ev): -5.3733 -5.3733 -4.5578 -4.5578 -3.5393 -3.5391 -3.4126 -3.4126 -0.8021 -0.8014 -0.2115 -0.2087 0.0551 0.0574 0.0691 0.0699 0.2715 0.2799 0.3221 0.3270 0.3645 0.3670 0.4546 0.4593 0.5311 0.5330 0.5846 0.5929 0.7779 0.7829 1.7220 1.7262 2.4227 2.4277 2.5019 2.5020 2.8296 2.8324 3.0587 3.0595 3.9511 3.9533 4.2181 4.2216 4.7664 4.7673 5.1664 5.1665 5.4587 5.4596 6.1385 6.1403 9.6747 9.6751 9.8127 9.8128 9.8815 9.8823 11.1489 11.1515 11.2613 11.2623 k = 0.0250 0.4923 0.4701 ( 5162 PWs) bands (ev): -5.3692 -5.3692 -4.5561 -4.5561 -3.5443 -3.5441 -3.4142 -3.4141 -0.7987 -0.7976 -0.2126 -0.2083 0.0547 0.0580 0.0696 0.0708 0.2690 0.2817 0.3203 0.3273 0.3640 0.3678 0.4536 0.4606 0.5303 0.5331 0.5822 0.5946 0.7709 0.7783 1.6822 1.6880 2.4220 2.4288 2.5039 2.5041 2.8468 2.8507 3.0428 3.0437 3.9668 3.9700 4.2409 4.2459 4.7855 4.7869 5.1750 5.1751 5.4644 5.4657 6.1349 6.1376 9.6741 9.6746 9.8148 9.8150 9.8610 9.8621 11.1466 11.1497 11.2736 11.2757 k = 0.0333 0.4807 0.4843 ( 5164 PWs) bands (ev): -5.3635 -5.3635 -4.5538 -4.5538 -3.5513 -3.5509 -3.4163 -3.4162 -0.7939 -0.7925 -0.2138 -0.2081 0.0545 0.0587 0.0702 0.0720 0.2664 0.2835 0.3182 0.3271 0.3636 0.3685 0.4527 0.4619 0.5292 0.5331 0.5797 0.5962 0.7619 0.7716 1.6331 1.6403 2.4124 2.4204 2.5037 2.5043 2.8755 2.8800 3.0258 3.0264 3.9887 3.9928 4.2704 4.2768 4.8115 4.8134 5.1866 5.1868 5.4729 5.4746 6.1300 6.1336 9.6735 9.6742 9.8178 9.8180 9.8348 9.8362 11.1435 11.1467 11.2866 11.2900 k = 0.0417 0.4692 0.4986 ( 5166 PWs) bands (ev): -5.3562 -5.3562 -4.5510 -4.5509 -3.5600 -3.5596 -3.4191 -3.4190 -0.7878 -0.7859 -0.2152 -0.2080 0.0544 0.0593 0.0710 0.0736 0.2635 0.2853 0.3161 0.3264 0.3632 0.3692 0.4519 0.4632 0.5278 0.5330 0.5771 0.5976 0.7513 0.7632 1.5779 1.5862 2.3911 2.3997 2.4985 2.4997 2.9159 2.9206 3.0121 3.0122 4.0165 4.0213 4.3045 4.3119 4.8437 4.8461 5.2012 5.2014 5.4848 5.4868 6.1237 6.1284 9.6728 9.6737 9.8042 9.8060 9.8219 9.8225 11.1389 11.1417 11.2975 11.3021 k = 0.0500 0.4576 0.5128 ( 5172 PWs) bands (ev): -5.3474 -5.3473 -4.5476 -4.5475 -3.5705 -3.5700 -3.4226 -3.4224 -0.7802 -0.7780 -0.2168 -0.2082 0.0544 0.0600 0.0719 0.0754 0.2603 0.2871 0.3140 0.3251 0.3630 0.3699 0.4513 0.4644 0.5262 0.5327 0.5743 0.5987 0.7395 0.7533 1.5194 1.5287 2.3583 2.3671 2.4853 2.4874 2.9656 2.9703 3.0057 3.0062 4.0500 4.0553 4.3410 4.3492 4.8812 4.8841 5.2181 5.2185 5.5006 5.5028 6.1161 6.1218 9.6724 9.6735 9.7716 9.7736 9.8268 9.8276 11.1313 11.1334 11.3033 11.3090 k = 0.0583 0.4461 0.5271 ( 5170 PWs) bands (ev): -5.3369 -5.3369 -4.5439 -4.5438 -3.5825 -3.5819 -3.4267 -3.4265 -0.7714 -0.7687 -0.2185 -0.2084 0.0547 0.0607 0.0729 0.0775 0.2568 0.2888 0.3119 0.3232 0.3629 0.3707 0.4507 0.4656 0.5243 0.5322 0.5715 0.5996 0.7268 0.7425 1.4595 1.4696 2.3155 2.3245 2.4619 2.4648 3.0068 3.0090 3.0250 3.0288 4.0890 4.0949 4.3781 4.3869 4.9229 4.9263 5.2371 5.2376 5.5209 5.5232 6.1071 6.1140 9.6725 9.6737 9.7383 9.7406 9.8328 9.8338 11.1185 11.1197 11.3017 11.3083 k = 0.0667 0.4345 0.5413 ( 5168 PWs) bands (ev): -5.3249 -5.3249 -4.5398 -4.5397 -3.5959 -3.5952 -3.4316 -3.4313 -0.7612 -0.7580 -0.2203 -0.2089 0.0551 0.0614 0.0741 0.0799 0.2530 0.2905 0.3099 0.3208 0.3630 0.3714 0.4502 0.4668 0.5221 0.5315 0.5685 0.6002 0.7135 0.7310 1.3996 1.4106 2.2650 2.2741 2.4277 2.4315 3.0241 3.0266 3.0842 3.0884 4.1337 4.1399 4.4141 4.4233 4.9679 4.9718 5.2578 5.2583 5.5461 5.5484 6.0967 6.1049 9.6732 9.6744 9.7059 9.7085 9.8397 9.8409 11.0973 11.0973 11.2924 11.2997 k = 0.0750 0.4229 0.5556 ( 5170 PWs) bands (ev): -5.3114 -5.3113 -4.5357 -4.5355 -3.6104 -3.6098 -3.4371 -3.4368 -0.7497 -0.7460 -0.2224 -0.2096 0.0556 0.0621 0.0753 0.0825 0.2487 0.2920 0.3081 0.3179 0.3632 0.3720 0.4499 0.4679 0.5195 0.5306 0.5655 0.6004 0.7000 0.7191 1.3408 1.3526 2.2087 2.2181 2.3841 2.3883 3.0519 3.0548 3.1460 3.1502 4.1839 4.1903 4.4478 4.4571 5.0149 5.0195 5.2799 5.2804 5.5764 5.5786 6.0850 6.0946 9.6720 9.6728 9.6775 9.6823 9.8476 9.8490 11.0635 11.0645 11.2779 11.2858 k = 0.0833 0.4114 0.5698 ( 5166 PWs) bands (ev): -5.2963 -5.2963 -4.5315 -4.5314 -3.6260 -3.6252 -3.4434 -3.4431 -0.7369 -0.7328 -0.2247 -0.2105 0.0564 0.0628 0.0765 0.0852 0.2440 0.2934 0.3064 0.3148 0.3637 0.3727 0.4496 0.4688 0.5166 0.5293 0.5625 0.6001 0.6866 0.7073 1.2842 1.2966 2.1481 2.1578 2.3328 2.3375 3.0896 3.0928 3.2076 3.2118 4.2395 4.2460 4.4781 4.4873 5.0631 5.0684 5.3033 5.3038 5.6118 5.6137 6.0722 6.0832 9.6473 9.6487 9.6782 9.6809 9.8562 9.8578 11.0168 11.0186 11.2623 11.2704 k = 0.0917 0.3998 0.5841 ( 5162 PWs) bands (ev): -5.2798 -5.2798 -4.5276 -4.5274 -3.6422 -3.6414 -3.4505 -3.4501 -0.7230 -0.7183 -0.2272 -0.2116 0.0574 0.0636 0.0778 0.0881 0.2388 0.2942 0.3050 0.3116 0.3643 0.3732 0.4494 0.4695 0.5133 0.5277 0.5595 0.5993 0.6736 0.6959 1.2303 1.2434 2.0844 2.0947 2.2762 2.2811 3.1353 3.1387 3.2678 3.2719 4.3004 4.3069 4.5044 4.5133 5.1113 5.1174 5.3280 5.3286 5.6519 5.6534 6.0584 6.0710 9.6235 9.6251 9.6821 9.6846 9.8656 9.8674 10.9588 10.9610 11.2479 11.2559 k = 0.1000 0.3883 0.5983 ( 5166 PWs) bands (ev): -5.2618 -5.2618 -4.5241 -4.5239 -3.6588 -3.6579 -3.4583 -3.4579 -0.7079 -0.7026 -0.2299 -0.2130 0.0586 0.0643 0.0791 0.0911 0.2331 0.2939 0.3039 0.3092 0.3653 0.3737 0.4491 0.4699 0.5097 0.5255 0.5565 0.5979 0.6611 0.6850 1.1797 1.1933 2.0188 2.0297 2.2158 2.2209 3.1872 3.1907 3.3257 3.3297 4.3661 4.3725 4.5262 4.5347 5.1586 5.1656 5.3542 5.3548 5.6958 5.6968 6.0440 6.0582 9.6037 9.6054 9.6873 9.6898 9.8756 9.8775 10.8925 10.8949 11.2347 11.2424 k = 0.1083 0.3767 0.6126 ( 5162 PWs) bands (ev): -5.2425 -5.2424 -4.5212 -4.5211 -3.6754 -3.6745 -3.4669 -3.4665 -0.6918 -0.6859 -0.2329 -0.2147 0.0599 0.0651 0.0804 0.0941 0.2270 0.2918 0.3031 0.3083 0.3665 0.3742 0.4488 0.4699 0.5058 0.5229 0.5538 0.5957 0.6494 0.6751 1.1331 1.1470 1.9521 1.9637 2.1533 2.1584 3.2439 3.2474 3.3809 3.3849 4.4359 4.4421 4.5434 4.5514 5.2040 5.2120 5.3821 5.3826 5.7426 5.7431 6.0294 6.0453 9.5885 9.5901 9.6936 9.6959 9.8864 9.8883 10.8211 10.8235 11.2219 11.2290 k = 0.1167 0.3652 0.6268 ( 5166 PWs) bands (ev): -5.2217 -5.2217 -4.5193 -4.5191 -3.6918 -3.6909 -3.4763 -3.4758 -0.6747 -0.6681 -0.2363 -0.2167 0.0615 0.0658 0.0818 0.0970 0.2205 0.2881 0.3025 0.3090 0.3681 0.3746 0.4484 0.4693 0.5018 0.5196 0.5511 0.5927 0.6387 0.6661 1.0906 1.1047 1.8850 1.8974 2.0896 2.0948 3.3042 3.3077 3.4332 3.4371 4.5087 4.5149 4.5560 4.5637 5.2469 5.2558 5.4119 5.4123 5.7912 5.7912 6.0152 6.0328 9.5779 9.5794 9.7006 9.7027 9.8979 9.8997 10.7469 10.7493 11.2074 11.2110 k = 0.1250 0.3536 0.6410 ( 5168 PWs) bands (ev): -5.1997 -5.1997 -4.5186 -4.5184 -3.7075 -3.7066 -3.4865 -3.4860 -0.6567 -0.6494 -0.2399 -0.2191 0.0631 0.0665 0.0831 0.0998 0.2135 0.2836 0.3023 0.3105 0.3700 0.3748 0.4478 0.4680 0.4979 0.5158 0.5484 0.5886 0.6292 0.6585 1.0528 1.0667 1.8182 1.8316 2.0256 2.0308 3.3671 3.3706 3.4826 3.4865 4.5643 4.5690 4.5862 4.5896 5.2864 5.2964 5.4435 5.4438 5.8400 5.8405 6.0020 6.0214 9.5718 9.5733 9.7078 9.7097 9.9104 9.9119 10.6717 10.6740 11.1313 11.1396 k = 0.1333 0.3421 0.6553 ( 5164 PWs) bands (ev): -5.1764 -5.1764 -4.5194 -4.5192 -3.7222 -3.7212 -3.4975 -3.4970 -0.6379 -0.6298 -0.2440 -0.2219 0.0648 0.0672 0.0845 0.1024 0.2062 0.2789 0.3024 0.3125 0.3722 0.3750 0.4469 0.4658 0.4942 0.5117 0.5457 0.5835 0.6213 0.6524 1.0196 1.0330 1.7524 1.7667 1.9620 1.9672 3.4315 3.4350 3.5294 3.5331 4.5691 4.5745 4.6601 4.6644 5.3226 5.3334 5.4769 5.4771 5.8883 5.8891 5.9908 6.0115 9.5701 9.5716 9.7146 9.7161 9.9239 9.9250 10.5968 10.5990 11.0515 11.0563 k = 0.1417 0.3305 0.6695 ( 5172 PWs) bands (ev): -5.1519 -5.1519 -4.5220 -4.5219 -3.7354 -3.7345 -3.5093 -3.5088 -0.6185 -0.6096 -0.2484 -0.2252 0.0666 0.0678 0.0860 0.1046 0.1986 0.2745 0.3027 0.3147 0.3747 0.3750 0.4455 0.4624 0.4909 0.5072 0.5428 0.5772 0.6151 0.6480 0.9910 1.0034 1.6881 1.7035 1.8994 1.9046 3.4966 3.5003 3.5737 3.5773 4.5705 4.5753 4.7336 4.7374 5.3556 5.3669 5.5120 5.5120 5.9349 5.9356 5.9826 6.0040 9.5723 9.5738 9.7201 9.7211 9.9387 9.9392 10.5231 10.5252 10.9725 10.9753 k = 0.1500 0.3190 0.6838 ( 5170 PWs) bands (ev): -5.1263 -5.1263 -4.5268 -4.5266 -3.7469 -3.7460 -3.5219 -3.5213 -0.5985 -0.5887 -0.2534 -0.2290 0.0682 0.0684 0.0878 0.1062 0.1908 0.2706 0.3032 0.3170 0.3749 0.3775 0.4436 0.4581 0.4882 0.5029 0.5397 0.5701 0.6110 0.6454 0.9668 0.9778 1.6261 1.6424 1.8381 1.8433 3.5614 3.5654 3.6161 3.6193 4.5695 4.5736 4.8028 4.8057 5.3865 5.3980 5.5481 5.5484 5.9697 5.9783 5.9872 5.9998 9.5779 9.5794 9.7236 9.7242 9.9545 9.9546 10.4514 10.4534 10.8972 10.8988 k = 0.1583 0.3074 0.6980 ( 5168 PWs) bands (ev): -5.0996 -5.0996 -4.5338 -4.5336 -3.7563 -3.7554 -3.5352 -3.5346 -0.5781 -0.5675 -0.2589 -0.2334 0.0689 0.0697 0.0897 0.1073 0.1829 0.2674 0.3040 0.3193 0.3747 0.3806 0.4411 0.4531 0.4857 0.4989 0.5364 0.5624 0.6090 0.6445 0.9466 0.9556 1.5668 1.5843 1.7785 1.7838 3.6246 3.6295 3.6571 3.6595 4.5668 4.5701 4.8642 4.8661 5.4175 5.4285 5.5852 5.5858 5.9713 5.9954 6.0211 6.0240 9.5862 9.5877 9.7246 9.7248 9.9706 9.9714 10.3825 10.3842 10.8279 10.8288 k = 0.1667 0.2959 0.7123 ( 5170 PWs) bands (ev): -5.0720 -5.0720 -4.5434 -4.5432 -3.7634 -3.7624 -3.5491 -3.5485 -0.5575 -0.5460 -0.2649 -0.2384 0.0694 0.0710 0.0919 0.1076 0.1750 0.2652 0.3049 0.3212 0.3745 0.3837 0.4381 0.4478 0.4834 0.4956 0.5330 0.5544 0.6092 0.6453 0.9297 0.9363 1.5111 1.5296 1.7209 1.7263 3.6820 3.6893 3.7002 3.7005 4.5635 4.5659 4.9141 4.9148 5.4515 5.4615 5.6228 5.6238 5.9723 5.9963 6.0566 6.0599 9.5965 9.5981 9.7227 9.7228 9.9865 9.9879 10.3168 10.3182 10.7669 10.7675 k = 0.1750 0.2843 0.7265 ( 5172 PWs) bands (ev): -5.0435 -5.0435 -4.5556 -4.5555 -3.7679 -3.7670 -3.5637 -3.5630 -0.5368 -0.5244 -0.2716 -0.2441 0.0699 0.0721 0.0943 0.1071 0.1672 0.2640 0.3058 0.3226 0.3744 0.3868 0.4347 0.4427 0.4811 0.4931 0.5295 0.5465 0.6116 0.6479 0.9154 0.9191 1.4599 1.4792 1.6657 1.6713 3.7253 3.7316 3.7529 3.7544 4.5605 4.5622 4.9485 4.9490 5.4914 5.4999 5.6605 5.6619 5.9754 5.9987 6.0873 6.0907 9.6079 9.6096 9.7183 9.7184 10.0007 10.0026 10.2550 10.2562 10.7166 10.7170 k = 0.1833 0.2727 0.7408 ( 5174 PWs) bands (ev): -5.0141 -5.0141 -4.5705 -4.5703 -3.7699 -3.7689 -3.5788 -3.5781 -0.5162 -0.5029 -0.2790 -0.2506 0.0703 0.0729 0.0969 0.1058 0.1597 0.2638 0.3068 0.3232 0.3747 0.3896 0.4311 0.4383 0.4787 0.4915 0.5262 0.5390 0.6162 0.6522 0.9028 0.9031 1.4139 1.4338 1.6131 1.6189 3.7616 3.7671 3.8068 3.8095 4.5592 4.5600 4.9656 4.9671 5.5385 5.5456 5.6976 5.6996 5.9802 6.0024 6.1119 6.1154 9.6197 9.6215 9.7119 9.7120 10.0115 10.0138 10.1978 10.1985 10.6792 10.6797 k = 0.1917 0.2612 0.7550 ( 5176 PWs) bands (ev): -4.9841 -4.9841 -4.5880 -4.5879 -3.7692 -3.7682 -3.5944 -3.5937 -0.4958 -0.4817 -0.2872 -0.2579 0.0708 0.0735 0.0996 0.1040 0.1526 0.2644 0.3076 0.3228 0.3757 0.3920 0.4275 0.4351 0.4761 0.4909 0.5230 0.5320 0.6230 0.6581 0.8872 0.8910 1.3742 1.3944 1.5634 1.5694 3.7953 3.8006 3.8562 3.8596 4.5609 4.5610 4.9667 4.9688 5.5925 5.5983 5.7338 5.7364 5.9857 6.0066 6.1298 6.1333 9.6312 9.6329 9.7042 9.7043 10.0172 10.0197 10.1457 10.1460 10.6566 10.6573 k = 0.2000 0.2496 0.7693 ( 5184 PWs) bands (ev): -4.9536 -4.9536 -4.6080 -4.6078 -3.7660 -3.7650 -3.6103 -3.6096 -0.4757 -0.4610 -0.2962 -0.2660 0.0714 0.0739 0.1016 0.1023 0.1461 0.2658 0.3083 0.3214 0.3775 0.3938 0.4241 0.4333 0.4735 0.4910 0.5199 0.5256 0.6320 0.6657 0.8707 0.8793 1.3417 1.3618 1.5169 1.5231 3.8271 3.8324 3.8989 3.9029 4.5666 4.5673 4.9541 4.9563 5.6509 5.6559 5.7683 5.7718 5.9912 6.0105 6.1405 6.1439 9.6415 9.6432 9.6960 9.6961 10.0169 10.0195 10.0993 10.0995 10.6495 10.6504 k = 0.2083 0.2381 0.7835 ( 5180 PWs) bands (ev): -4.9226 -4.9226 -4.6303 -4.6301 -3.7604 -3.7594 -3.6265 -3.6257 -0.4562 -0.4410 -0.3060 -0.2749 0.0720 0.0743 0.0989 0.1047 0.1404 0.2676 0.3088 0.3192 0.3802 0.3949 0.4207 0.4329 0.4709 0.4919 0.5169 0.5199 0.6434 0.6748 0.8528 0.8671 1.3171 1.3368 1.4738 1.4803 3.8570 3.8624 3.9333 3.9377 4.5783 4.5795 4.9307 4.9326 5.7107 5.7152 5.8007 5.8051 5.9961 6.0137 6.1437 6.1468 9.6503 9.6519 9.6881 9.6883 10.0110 10.0137 10.0590 10.0597 10.6571 10.6582 k = 0.2167 0.2265 0.7977 ( 5178 PWs) bands (ev): -4.8914 -4.8913 -4.6546 -4.6545 -3.7526 -3.7517 -3.6427 -3.6419 -0.4372 -0.4220 -0.3167 -0.2846 0.0728 0.0746 0.0962 0.1068 0.1356 0.2697 0.3091 0.3165 0.3836 0.3956 0.4174 0.4337 0.4684 0.4932 0.5140 0.5150 0.6572 0.6852 0.8331 0.8541 1.3010 1.3198 1.4344 1.4413 3.8848 3.8905 3.9584 3.9631 4.5969 4.5985 4.8992 4.9006 5.7685 5.7728 5.8304 5.8359 6.0006 6.0162 6.1391 6.1419 9.6571 9.6585 9.6811 9.6815 10.0012 10.0040 10.0260 10.0272 10.6771 10.6784 k = 0.2250 0.2150 0.8120 ( 5174 PWs) bands (ev): -4.8600 -4.8600 -4.6807 -4.6806 -3.7430 -3.7421 -3.6589 -3.6581 -0.4190 -0.4044 -0.3284 -0.2947 0.0736 0.0749 0.0935 0.1083 0.1319 0.2718 0.3093 0.3138 0.3875 0.3960 0.4140 0.4350 0.4663 0.4950 0.5109 0.5113 0.6731 0.6962 0.8119 0.8406 1.2932 1.3111 1.3992 1.4064 3.9101 3.9162 3.9740 3.9787 4.6228 4.6245 4.8620 4.8628 5.8203 5.8245 5.8568 5.8637 6.0058 6.0190 6.1272 6.1295 9.6618 9.6629 9.6755 9.6761 9.9898 9.9927 10.0007 10.0024 10.7066 10.7082 k = 0.2333 0.2034 0.8262 ( 5174 PWs) bands (ev): -4.8287 -4.8286 -4.7084 -4.7083 -3.7316 -3.7307 -3.6748 -3.6739 -0.4016 -0.3890 -0.3409 -0.3048 0.0744 0.0751 0.0913 0.1092 0.1294 0.2735 0.3093 0.3114 0.3914 0.3963 0.4107 0.4364 0.4647 0.4971 0.5078 0.5086 0.6908 0.7069 0.7900 0.8279 1.2930 1.3103 1.3688 1.3760 3.9323 3.9390 3.9806 3.9849 4.6552 4.6569 4.8211 4.8213 5.8605 5.8639 5.8804 5.8886 6.0145 6.0247 6.1086 6.1101 9.6647 9.6654 9.6716 9.6724 9.9789 9.9818 9.9835 9.9857 10.7425 10.7443 k = 0.2417 0.1919 0.8405 ( 5180 PWs) bands (ev): -4.7977 -4.7976 -4.7372 -4.7372 -3.7189 -3.7180 -3.6902 -3.6894 -0.3853 -0.3772 -0.3544 -0.3132 0.0750 0.0752 0.0898 0.1096 0.1280 0.2748 0.3092 0.3098 0.3949 0.3965 0.4076 0.4374 0.4637 0.4990 0.5058 0.5063 0.7085 0.7152 0.7695 0.8182 1.2991 1.3170 1.3446 1.3507 3.9500 3.9580 3.9799 3.9830 4.6930 4.6943 4.7781 4.7786 5.8840 5.8851 5.8996 5.9078 6.0307 6.0372 6.0852 6.0856 9.6662 9.6665 9.6693 9.6704 9.9707 9.9737 9.9741 9.9765 10.7821 10.7840 k = 0.2500 0.1803 0.8547 ( 5176 PWs) bands (ev): -4.7671 -4.7670 -4.7670 -4.7670 -3.7058 -3.7043 -3.7043 -3.7040 -0.3725 -0.3725 -0.3662 -0.3168 0.0752 0.0752 0.0892 0.1098 0.1276 0.2752 0.3092 0.3092 0.3966 0.3966 0.4061 0.4378 0.4634 0.5001 0.5052 0.5052 0.7185 0.7185 0.7585 0.8144 1.3048 1.3287 1.3329 1.3329 3.9585 3.9697 3.9770 3.9770 4.7307 4.7307 4.7385 4.7405 5.8915 5.8916 5.9067 5.9150 6.0489 6.0538 6.0647 6.0647 9.6667 9.6667 9.6684 9.6699 9.9678 9.9710 9.9710 9.9734 10.8203 10.8236 k = 0.2500 0.1803 0.8547 ( 5176 PWs) bands (ev): -4.7671 -4.7670 -4.7670 -4.7670 -3.7058 -3.7043 -3.7043 -3.7040 -0.3725 -0.3725 -0.3662 -0.3168 0.0752 0.0752 0.0892 0.1098 0.1276 0.2752 0.3092 0.3092 0.3966 0.3966 0.4061 0.4378 0.4634 0.5001 0.5052 0.5052 0.7185 0.7185 0.7585 0.8144 1.3048 1.3287 1.3329 1.3329 3.9585 3.9697 3.9770 3.9770 4.7307 4.7307 4.7385 4.7405 5.8915 5.8916 5.9067 5.9150 6.0489 6.0538 6.0647 6.0647 9.6667 9.6667 9.6684 9.6699 9.9678 9.9710 9.9710 9.9734 10.8203 10.8236 k = 0.2632 0.1898 0.8430 ( 5180 PWs) bands (ev): -4.7840 -4.7839 -4.7505 -4.7504 -3.7131 -3.7122 -3.6966 -3.6958 -0.3781 -0.3752 -0.3603 -0.3159 0.0733 0.0771 0.0891 0.1102 0.1278 0.2748 0.3056 0.3127 0.3940 0.3982 0.4063 0.4381 0.4633 0.4998 0.5044 0.5067 0.7102 0.7171 0.7613 0.8134 1.3083 1.3292 1.3375 1.3451 3.9499 3.9604 3.9687 3.9699 4.7115 4.7123 4.7688 4.7695 5.8892 5.8897 5.9047 5.9128 6.0436 6.0486 6.0743 6.0746 9.6536 9.6537 9.6631 9.6635 9.9743 9.9769 9.9787 9.9812 10.8001 10.8011 k = 0.2763 0.1993 0.8313 ( 5180 PWs) bands (ev): -4.7994 -4.7993 -4.7358 -4.7358 -3.7204 -3.7195 -3.6882 -3.6875 -0.3863 -0.3805 -0.3531 -0.3138 0.0716 0.0784 0.0894 0.1112 0.1285 0.2736 0.3019 0.3158 0.3899 0.3994 0.4069 0.4390 0.4634 0.4991 0.5041 0.5089 0.6926 0.7082 0.7677 0.8122 1.3222 1.3417 1.3518 1.3638 3.9271 3.9380 3.9440 3.9453 4.6932 4.6941 4.8166 4.8167 5.8821 5.8826 5.9014 5.9078 6.0430 6.0489 6.0867 6.0882 9.6145 9.6146 9.6491 9.6495 9.9896 9.9917 10.0030 10.0054 10.7791 10.7795 k = 0.2895 0.2088 0.8196 ( 5176 PWs) bands (ev): -4.8133 -4.8133 -4.7232 -4.7231 -3.7270 -3.7262 -3.6803 -3.6796 -0.3945 -0.3875 -0.3469 -0.3113 0.0700 0.0786 0.0908 0.1127 0.1297 0.2714 0.2985 0.3184 0.3847 0.4000 0.4080 0.4401 0.4635 0.4982 0.5045 0.5116 0.6714 0.6926 0.7747 0.8122 1.3467 1.3649 1.3728 1.3876 3.8888 3.8978 3.9100 3.9134 4.6803 4.6812 4.8710 4.8713 5.8690 5.8708 5.8988 5.9031 6.0505 6.0573 6.0978 6.1004 9.5567 9.5571 9.6286 9.6296 10.0115 10.0133 10.0387 10.0408 10.7610 10.7613 k = 0.3026 0.2183 0.8079 ( 5181 PWs) bands (ev): -4.8257 -4.8257 -4.7125 -4.7124 -3.7328 -3.7321 -3.6730 -3.6723 -0.4025 -0.3951 -0.3417 -0.3090 0.0684 0.0778 0.0933 0.1145 0.1314 0.2681 0.2954 0.3202 0.3793 0.4000 0.4094 0.4414 0.4638 0.4972 0.5056 0.5146 0.6500 0.6733 0.7810 0.8130 1.3798 1.3962 1.3994 1.4165 3.8372 3.8451 3.8699 3.8745 4.6732 4.6742 4.9257 4.9262 5.8532 5.8556 5.8966 5.8996 6.0648 6.0725 6.1069 6.1106 9.4876 9.4881 9.6043 9.6058 10.0379 10.0395 10.0807 10.0825 10.7462 10.7465 k = 0.3158 0.2278 0.7962 ( 5179 PWs) bands (ev): -4.8366 -4.8365 -4.7037 -4.7036 -3.7380 -3.7372 -3.6666 -3.6660 -0.4098 -0.4028 -0.3376 -0.3072 0.0670 0.0764 0.0964 0.1168 0.1337 0.2634 0.2930 0.3211 0.3745 0.3996 0.4111 0.4428 0.4642 0.4961 0.5072 0.5182 0.6303 0.6530 0.7861 0.8138 1.4193 1.4311 1.4331 1.4504 3.7780 3.7855 3.8232 3.8282 4.6714 4.6725 4.9756 4.9763 5.8370 5.8395 5.8943 5.8966 6.0845 6.0932 6.1141 6.1189 9.4125 9.4131 9.5780 9.5799 10.0675 10.0690 10.1262 10.1277 10.7345 10.7350 k = 0.3289 0.2373 0.7845 ( 5174 PWs) bands (ev): -4.8457 -4.8457 -4.6969 -4.6969 -3.7423 -3.7416 -3.6614 -3.6609 -0.4162 -0.4101 -0.3344 -0.3060 0.0657 0.0746 0.0996 0.1197 0.1365 0.2573 0.2914 0.3210 0.3711 0.3986 0.4132 0.4445 0.4648 0.4950 0.5095 0.5221 0.6133 0.6335 0.7900 0.8140 1.4635 1.4671 1.4736 1.4891 3.7146 3.7220 3.7708 3.7757 4.6741 4.6752 5.0171 5.0179 5.8215 5.8240 5.8918 5.8938 6.1059 6.1126 6.1253 6.1281 9.3357 9.3363 9.5509 9.5531 10.0994 10.1009 10.1738 10.1748 10.7254 10.7262 k = 0.3421 0.2467 0.7728 ( 5172 PWs) bands (ev): -4.8532 -4.8532 -4.6921 -4.6920 -3.7458 -3.7451 -3.6577 -3.6573 -0.4215 -0.4164 -0.3321 -0.3055 0.0644 0.0726 0.1024 0.1236 0.1396 0.2498 0.2908 0.3201 0.3695 0.3973 0.4156 0.4464 0.4654 0.4940 0.5122 0.5266 0.5991 0.6159 0.7928 0.8134 1.5067 1.5109 1.5161 1.5323 3.6495 3.6569 3.7140 3.7187 4.6800 4.6812 5.0481 5.0488 5.8075 5.8098 5.8891 5.8909 6.1164 6.1168 6.1490 6.1532 9.2608 9.2614 9.5235 9.5259 10.1330 10.1346 10.2225 10.2230 10.7182 10.7193 k = 0.3553 0.2562 0.7611 ( 5171 PWs) bands (ev): -4.8590 -4.8589 -4.6892 -4.6892 -3.7484 -3.7478 -3.6556 -3.6553 -0.4253 -0.4214 -0.3306 -0.3057 0.0633 0.0706 0.1045 0.1288 0.1428 0.2416 0.2913 0.3189 0.3695 0.3958 0.4184 0.4489 0.4660 0.4931 0.5154 0.5316 0.5880 0.6008 0.7946 0.8120 1.5492 1.5600 1.5601 1.5785 3.5842 3.5918 3.6545 3.6589 4.6881 4.6893 5.0674 5.0679 5.7954 5.7975 5.8863 5.8880 6.1151 6.1176 6.1794 6.1855 9.1910 9.1914 9.4964 9.4990 10.1678 10.1697 10.2717 10.2719 10.7123 10.7138 k = 0.3684 0.2657 0.7494 ( 5176 PWs) bands (ev): -4.8630 -4.8629 -4.6883 -4.6883 -3.7503 -3.7496 -3.6552 -3.6550 -0.4274 -0.4248 -0.3299 -0.3066 0.0622 0.0686 0.1059 0.1352 0.1457 0.2332 0.2929 0.3179 0.3709 0.3943 0.4214 0.4520 0.4662 0.4924 0.5188 0.5372 0.5796 0.5886 0.7955 0.8099 1.5937 1.6049 1.6103 1.6264 3.5202 3.5279 3.5939 3.5978 4.6973 4.6985 5.0751 5.0754 5.7854 5.7874 5.8836 5.8854 6.1107 6.1139 6.2110 6.2176 9.1291 9.1294 9.4698 9.4725 10.2037 10.2059 10.3204 10.3214 10.7072 10.7090 k = 0.3816 0.2752 0.7377 ( 5167 PWs) bands (ev): -4.8652 -4.8652 -4.6895 -4.6894 -3.7512 -3.7506 -3.6566 -3.6564 -0.4276 -0.4263 -0.3300 -0.3081 0.0612 0.0667 0.1068 0.1427 0.1477 0.2258 0.2957 0.3173 0.3732 0.3929 0.4247 0.4562 0.4661 0.4924 0.5224 0.5429 0.5741 0.5799 0.7959 0.8072 1.6392 1.6505 1.6604 1.6744 3.4587 3.4666 3.5337 3.5369 4.7066 4.7077 5.0718 5.0720 5.7778 5.7795 5.8813 5.8830 6.1033 6.1069 6.2396 6.2463 9.0779 9.0780 9.4440 9.4467 10.2401 10.2426 10.3684 10.3705 10.7020 10.7041 k = 0.3947 0.2847 0.7260 ( 5167 PWs) bands (ev): -4.8657 -4.8656 -4.6926 -4.6926 -3.7512 -3.7507 -3.6597 -3.6596 -0.4260 -0.4260 -0.3307 -0.3103 0.0603 0.0648 0.1074 0.1482 0.1509 0.2201 0.2995 0.3173 0.3760 0.3918 0.4279 0.4617 0.4652 0.4930 0.5258 0.5473 0.5718 0.5762 0.7957 0.8040 1.6848 1.6958 1.7093 1.7215 3.4009 3.4090 3.4753 3.4777 4.7153 4.7163 5.0583 5.0589 5.7725 5.7741 5.8795 5.8812 6.0932 6.0969 6.2618 6.2683 9.0397 9.0398 9.4190 9.4218 10.2768 10.2797 10.4150 10.4182 10.6963 10.6986 k = 0.4079 0.2942 0.7143 ( 5166 PWs) bands (ev): -4.8643 -4.8643 -4.6980 -4.6980 -3.7504 -3.7499 -3.6644 -3.6644 -0.4237 -0.4224 -0.3321 -0.3131 0.0596 0.0632 0.1077 0.1468 0.1596 0.2166 0.3041 0.3179 0.3792 0.3912 0.4309 0.4636 0.4685 0.4944 0.5285 0.5479 0.5736 0.5805 0.7951 0.8004 1.7294 1.7399 1.7561 1.7664 3.3480 3.3563 3.4201 3.4215 4.7227 4.7236 5.0361 5.0370 5.7699 5.7712 5.8784 5.8800 6.0806 6.0845 6.2747 6.2808 9.0163 9.0168 9.3951 9.3979 10.3132 10.3166 10.4592 10.4638 10.6891 10.6916 k = 0.4211 0.3037 0.7026 ( 5162 PWs) bands (ev): -4.8611 -4.8610 -4.7055 -4.7055 -3.7487 -3.7482 -3.6706 -3.6706 -0.4195 -0.4170 -0.3342 -0.3165 0.0589 0.0617 0.1081 0.1435 0.1685 0.2153 0.3091 0.3189 0.3826 0.3913 0.4337 0.4615 0.4765 0.4964 0.5301 0.5455 0.5806 0.5921 0.7943 0.7966 1.7719 1.7817 1.7996 1.8081 3.3011 3.3095 3.3692 3.3696 4.7284 4.7291 5.0064 5.0076 5.7698 5.7709 5.8776 5.8791 6.0662 6.0701 6.2760 6.2816 9.0091 9.0099 9.3722 9.3750 10.3489 10.3527 10.4999 10.5059 10.6800 10.6825 k = 0.4342 0.3132 0.6909 ( 5174 PWs) bands (ev): -4.8560 -4.8560 -4.7154 -4.7153 -3.7460 -3.7456 -3.6779 -3.6778 -0.4138 -0.4101 -0.3368 -0.3205 0.0584 0.0604 0.1084 0.1388 0.1774 0.2153 0.3141 0.3202 0.3861 0.3920 0.4361 0.4589 0.4849 0.4988 0.5306 0.5424 0.5938 0.6093 0.7925 0.7932 1.8112 1.8200 1.8388 1.8455 3.2614 3.2699 3.3233 3.3240 4.7322 4.7326 4.9701 4.9715 5.7722 5.7732 5.8768 5.8780 6.0510 6.0549 6.2642 6.2693 9.0186 9.0197 9.3506 9.3533 10.3831 10.3874 10.5350 10.5425 10.6690 10.6715 k = 0.4474 0.3227 0.6792 ( 5169 PWs) bands (ev): -4.8491 -4.8490 -4.7276 -4.7276 -3.7425 -3.7420 -3.6861 -3.6859 -0.4067 -0.4020 -0.3399 -0.3252 0.0581 0.0595 0.1089 0.1334 0.1862 0.2161 0.3185 0.3218 0.3897 0.3936 0.4382 0.4561 0.4928 0.5015 0.5306 0.5396 0.6140 0.6318 0.7884 0.7919 1.8459 1.8537 1.8725 1.8775 3.2302 3.2386 3.2835 3.2855 4.7338 4.7338 4.9282 4.9299 5.7770 5.7778 5.8744 5.8753 6.0365 6.0405 6.2391 6.2437 9.0440 9.0455 9.3302 9.3328 10.4148 10.4196 10.5603 10.5689 10.6591 10.6613 k = 0.4605 0.3322 0.6675 ( 5168 PWs) bands (ev): -4.8403 -4.8402 -4.7424 -4.7424 -3.7380 -3.7376 -3.6947 -3.6945 -0.3986 -0.3930 -0.3434 -0.3303 0.0579 0.0588 0.1094 0.1278 0.1947 0.2170 0.3222 0.3234 0.3934 0.3958 0.4401 0.4532 0.4997 0.5043 0.5304 0.5371 0.6412 0.6596 0.7844 0.7906 1.8751 1.8815 1.9000 1.9033 3.2083 3.2166 3.2514 3.2547 4.7329 4.7332 4.8815 4.8834 5.7841 5.7846 5.8686 5.8691 6.0252 6.0291 6.2013 6.2053 9.0839 9.0856 9.3111 9.3137 10.4425 10.4477 10.5664 10.5743 10.6603 10.6605 k = 0.4737 0.3417 0.6558 ( 5176 PWs) bands (ev): -4.8296 -4.8295 -4.7598 -4.7597 -3.7327 -3.7323 -3.7033 -3.7031 -0.3900 -0.3842 -0.3467 -0.3359 0.0579 0.0583 0.1102 0.1222 0.2028 0.2176 0.3248 0.3249 0.3970 0.3985 0.4418 0.4503 0.5052 0.5071 0.5304 0.5350 0.6753 0.6926 0.7808 0.7894 1.8979 1.9025 1.9206 1.9224 3.1966 3.2046 3.2274 3.2321 4.7299 4.7307 4.8308 4.8327 5.7928 5.7932 5.8570 5.8572 6.0197 6.0233 6.1523 6.1558 9.1358 9.1378 9.2935 9.2959 10.4639 10.4694 10.5484 10.5545 10.6738 10.6764 k = 0.4868 0.3511 0.6441 ( 5166 PWs) bands (ev): -4.8170 -4.8169 -4.7798 -4.7798 -3.7265 -3.7262 -3.7117 -3.7114 -0.3816 -0.3771 -0.3484 -0.3414 0.0580 0.0582 0.1111 0.1170 0.2105 0.2179 0.3263 0.3265 0.4006 0.4015 0.4434 0.4475 0.5094 0.5098 0.5309 0.5334 0.7152 0.7292 0.7794 0.7889 1.9136 1.9161 1.9341 1.9348 3.1954 3.2029 3.2119 3.2179 4.7251 4.7264 4.7764 4.7784 5.8022 5.8024 5.8386 5.8386 6.0211 6.0244 6.0947 6.0979 9.1967 9.1988 9.2774 9.2797 10.4753 10.4807 10.5148 10.5201 10.6942 10.6982 k = 0.5000 0.3606 0.6324 ( 5166 PWs) bands (ev): -4.8026 -4.8026 -4.8024 -4.8024 -3.7199 -3.7199 -3.7186 -3.7186 -0.3752 -0.3752 -0.3456 -0.3456 0.0583 0.0583 0.1121 0.1121 0.2177 0.2177 0.3273 0.3273 0.4043 0.4043 0.4448 0.4448 0.5123 0.5123 0.5320 0.5320 0.7556 0.7556 0.7936 0.7936 1.9222 1.9222 1.9409 1.9409 3.2044 3.2044 3.2116 3.2116 4.7182 4.7182 4.7216 4.7216 5.8053 5.8053 5.8184 5.8184 6.0234 6.0234 6.0413 6.0413 9.2626 9.2626 9.2654 9.2654 10.4699 10.4699 10.4791 10.4791 10.7149 10.7149 k = 0.5000 0.3606 0.6324 ( 5166 PWs) bands (ev): -4.8026 -4.8026 -4.8024 -4.8024 -3.7199 -3.7199 -3.7186 -3.7186 -0.3752 -0.3752 -0.3456 -0.3456 0.0583 0.0583 0.1121 0.1121 0.2177 0.2177 0.3273 0.3273 0.4043 0.4043 0.4448 0.4448 0.5123 0.5123 0.5320 0.5320 0.7556 0.7556 0.7936 0.7936 1.9222 1.9222 1.9409 1.9409 3.2044 3.2044 3.2116 3.2116 4.7182 4.7182 4.7216 4.7216 5.8053 5.8053 5.8184 5.8184 6.0234 6.0234 6.0413 6.0413 9.2626 9.2626 9.2654 9.2654 10.4699 10.4699 10.4791 10.4791 10.7149 10.7149 k = 0.5000 0.3606 0.6120 ( 5160 PWs) bands (ev): -4.8108 -4.8108 -4.8106 -4.8106 -3.7190 -3.7190 -3.7176 -3.7176 -0.3725 -0.3725 -0.3431 -0.3431 0.0590 0.0590 0.1093 0.1093 0.2232 0.2232 0.3280 0.3280 0.4098 0.4098 0.4440 0.4440 0.5157 0.5157 0.5326 0.5326 0.7963 0.7963 0.8343 0.8343 1.9298 1.9298 1.9476 1.9476 3.2137 3.2137 3.2213 3.2213 4.6607 4.6607 4.6647 4.6647 5.7842 5.7842 5.7989 5.7989 5.9783 5.9783 5.9983 5.9983 9.3086 9.3086 9.3115 9.3115 10.4147 10.4147 10.4235 10.4235 10.7253 10.7253 k = 0.5000 0.3606 0.5916 ( 5168 PWs) bands (ev): -4.8201 -4.8201 -4.8199 -4.8199 -3.7164 -3.7164 -3.7151 -3.7151 -0.3703 -0.3703 -0.3410 -0.3410 0.0599 0.0599 0.1067 0.1067 0.2282 0.2282 0.3280 0.3280 0.4147 0.4147 0.4435 0.4435 0.5176 0.5176 0.5341 0.5341 0.8386 0.8386 0.8765 0.8765 1.9390 1.9390 1.9559 1.9559 3.2233 3.2233 3.2313 3.2313 4.6034 4.6034 4.6079 4.6079 5.7609 5.7609 5.7775 5.7775 5.9353 5.9353 5.9575 5.9575 9.3518 9.3518 9.3550 9.3550 10.3549 10.3549 10.3629 10.3629 10.7211 10.7211 k = 0.5000 0.3606 0.5712 ( 5158 PWs) bands (ev): -4.8306 -4.8306 -4.8304 -4.8304 -3.7121 -3.7121 -3.7108 -3.7108 -0.3685 -0.3685 -0.3392 -0.3392 0.0611 0.0611 0.1044 0.1044 0.2327 0.2327 0.3274 0.3274 0.4188 0.4188 0.4437 0.4437 0.5183 0.5183 0.5365 0.5365 0.8812 0.8812 0.9190 0.9190 1.9504 1.9504 1.9663 1.9663 3.2331 3.2331 3.2413 3.2413 4.5474 4.5474 4.5525 4.5525 5.7353 5.7353 5.7536 5.7536 5.8954 5.8954 5.9196 5.9196 9.3895 9.3895 9.3933 9.3933 10.2948 10.2948 10.3016 10.3016 10.7017 10.7017 k = 0.5000 0.3606 0.5508 ( 5154 PWs) bands (ev): -4.8423 -4.8423 -4.8421 -4.8421 -3.7059 -3.7059 -3.7046 -3.7046 -0.3672 -0.3672 -0.3379 -0.3379 0.0623 0.0623 0.1025 0.1025 0.2366 0.2366 0.3266 0.3266 0.4220 0.4220 0.4446 0.4446 0.5182 0.5182 0.5393 0.5393 0.9228 0.9228 0.9606 0.9606 1.9645 1.9645 1.9794 1.9794 3.2429 3.2429 3.2513 3.2513 4.4938 4.4938 4.4993 4.4993 5.7074 5.7074 5.7270 5.7270 5.8594 5.8594 5.8853 5.8853 9.4185 9.4185 9.4231 9.4231 10.2374 10.2374 10.2428 10.2428 10.6684 10.6684 k = 0.5000 0.3606 0.5304 ( 5150 PWs) bands (ev): -4.8552 -4.8552 -4.8549 -4.8549 -3.6977 -3.6977 -3.6964 -3.6964 -0.3663 -0.3663 -0.3370 -0.3370 0.0637 0.0637 0.1008 0.1008 0.2400 0.2400 0.3255 0.3255 0.4240 0.4240 0.4464 0.4464 0.5176 0.5176 0.5422 0.5422 0.9622 0.9622 1.0000 1.0000 1.9820 1.9820 1.9957 1.9957 3.2525 3.2525 3.2610 3.2610 4.4434 4.4434 4.4493 4.4493 5.6774 5.6774 5.6976 5.6976 5.8279 5.8279 5.8546 5.8546 9.4352 9.4352 9.4409 9.4409 10.1858 10.1858 10.1898 10.1898 10.6235 10.6235 k = 0.5000 0.3606 0.5100 ( 5146 PWs) bands (ev): -4.8691 -4.8691 -4.8688 -4.8688 -3.6875 -3.6875 -3.6862 -3.6862 -0.3660 -0.3660 -0.3366 -0.3366 0.0653 0.0653 0.0994 0.0994 0.2427 0.2427 0.3243 0.3243 0.4251 0.4251 0.4487 0.4487 0.5168 0.5168 0.5451 0.5451 0.9978 0.9978 1.0359 1.0359 2.0036 2.0036 2.0162 2.0162 3.2618 3.2618 3.2704 3.2704 4.3971 4.3971 4.4035 4.4035 5.6455 5.6455 5.6656 5.6656 5.8009 5.8009 5.8276 5.8276 9.4363 9.4363 9.4432 9.4432 10.1421 10.1421 10.1446 10.1446 10.5702 10.5702 k = 0.5000 0.3606 0.4896 ( 5140 PWs) bands (ev): -4.8840 -4.8840 -4.8837 -4.8837 -3.6751 -3.6751 -3.6739 -3.6739 -0.3661 -0.3661 -0.3366 -0.3366 0.0670 0.0670 0.0983 0.0983 0.2449 0.2449 0.3230 0.3230 0.4254 0.4254 0.4516 0.4516 0.5159 0.5159 0.5480 0.5480 1.0285 1.0285 1.0668 1.0668 2.0300 2.0300 2.0415 2.0415 3.2706 3.2706 3.2792 3.2792 4.3559 4.3559 4.3626 4.3626 5.6125 5.6125 5.6319 5.6319 5.7778 5.7778 5.8039 5.8039 9.4199 9.4199 9.4279 9.4279 10.1058 10.1058 10.1075 10.1075 10.5123 10.5123 k = 0.5000 0.3606 0.4692 ( 5138 PWs) bands (ev): -4.8997 -4.8997 -4.8994 -4.8994 -3.6608 -3.6608 -3.6596 -3.6596 -0.3667 -0.3667 -0.3371 -0.3371 0.0688 0.0688 0.0974 0.0974 0.2465 0.2465 0.3218 0.3218 0.4253 0.4253 0.4545 0.4545 0.5150 0.5150 0.5507 0.5507 1.0531 1.0531 1.0917 1.0917 2.0616 2.0616 2.0722 2.0722 3.2788 3.2788 3.2873 3.2873 4.3204 4.3204 4.3275 4.3275 5.5790 5.5790 5.5975 5.5975 5.7580 5.7580 5.7833 5.7833 9.3862 9.3862 9.3952 9.3952 10.0733 10.0733 10.0755 10.0755 10.4543 10.4543 k = 0.5000 0.3606 0.4488 ( 5154 PWs) bands (ev): -4.9161 -4.9161 -4.9159 -4.9159 -3.6446 -3.6446 -3.6434 -3.6434 -0.3678 -0.3678 -0.3381 -0.3381 0.0706 0.0706 0.0968 0.0968 0.2474 0.2474 0.3205 0.3205 0.4247 0.4247 0.4574 0.4574 0.5140 0.5140 0.5533 0.5533 1.0707 1.0707 1.1098 1.1098 2.0986 2.0986 2.1085 2.1085 3.2863 3.2863 3.2946 3.2946 4.2912 4.2912 4.2985 4.2985 5.5454 5.5454 5.5631 5.5631 5.7410 5.7410 5.7654 5.7654 9.3381 9.3381 9.3476 9.3476 10.0388 10.0388 10.0420 10.0420 10.4012 10.4012 k = 0.5000 0.3606 0.4284 ( 5146 PWs) bands (ev): -4.9331 -4.9331 -4.9329 -4.9329 -3.6266 -3.6266 -3.6254 -3.6254 -0.3693 -0.3693 -0.3395 -0.3395 0.0726 0.0726 0.0966 0.0966 0.2477 0.2477 0.3194 0.3194 0.4239 0.4239 0.4602 0.4602 0.5131 0.5131 0.5558 0.5558 1.0810 1.0810 1.1205 1.1205 2.1411 2.1411 2.1505 2.1505 3.2930 3.2930 3.3010 3.3010 4.2687 4.2687 4.2762 4.2762 5.5122 5.5122 5.5291 5.5291 5.7265 5.7265 5.7500 5.7500 9.2790 9.2790 9.2888 9.2888 9.9959 9.9959 9.9997 9.9997 10.3573 10.3573 k = 0.5000 0.3606 0.4080 ( 5154 PWs) bands (ev): -4.9505 -4.9505 -4.9503 -4.9503 -3.6069 -3.6069 -3.6057 -3.6057 -0.3712 -0.3712 -0.3415 -0.3415 0.0746 0.0746 0.0965 0.0965 0.2474 0.2474 0.3182 0.3182 0.4229 0.4229 0.4627 0.4627 0.5123 0.5123 0.5581 0.5581 1.0839 1.0839 1.1239 1.1239 2.1885 2.1885 2.1977 2.1977 3.2989 3.2989 3.3066 3.3066 4.2531 4.2531 4.2608 4.2608 5.4798 5.4798 5.4961 5.4961 5.7143 5.7143 5.7371 5.7371 9.2125 9.2125 9.2224 9.2224 9.9409 9.9409 9.9449 9.9449 10.3238 10.3238 k = 0.5000 0.3606 0.3876 ( 5154 PWs) bands (ev): -4.9682 -4.9682 -4.9679 -4.9679 -3.5857 -3.5857 -3.5845 -3.5845 -0.3735 -0.3735 -0.3439 -0.3439 0.0768 0.0768 0.0968 0.0968 0.2465 0.2465 0.3172 0.3172 0.4216 0.4216 0.4649 0.4649 0.5118 0.5118 0.5604 0.5604 1.0800 1.0800 1.1204 1.1204 2.2403 2.2403 2.2494 2.2494 3.3039 3.3039 3.3113 3.3113 4.2445 4.2445 4.2524 4.2524 5.4483 5.4483 5.4642 5.4642 5.7044 5.7044 5.7264 5.7264 9.1416 9.1416 9.1515 9.1515 9.8744 9.8744 9.8783 9.8783 10.2981 10.2981 k = 0.5000 0.3606 0.3672 ( 5162 PWs) bands (ev): -4.9859 -4.9859 -4.9857 -4.9857 -3.5632 -3.5632 -3.5621 -3.5621 -0.3762 -0.3762 -0.3468 -0.3468 0.0789 0.0789 0.0974 0.0974 0.2450 0.2450 0.3161 0.3161 0.4200 0.4200 0.4668 0.4668 0.5114 0.5114 0.5625 0.5625 1.0697 1.0697 1.1106 1.1106 2.2956 2.2956 2.3046 2.3046 3.3083 3.3083 3.3153 3.3153 4.2429 4.2429 4.2510 4.2510 5.4179 5.4179 5.4335 5.4335 5.6966 5.6966 5.7180 5.7180 9.0687 9.0687 9.0784 9.0784 9.7993 9.7993 9.8030 9.8030 10.2758 10.2758 k = 0.5000 0.3606 0.3468 ( 5170 PWs) bands (ev): -5.0036 -5.0036 -5.0033 -5.0033 -3.5397 -3.5397 -3.5386 -3.5386 -0.3793 -0.3793 -0.3502 -0.3502 0.0812 0.0812 0.0983 0.0983 0.2429 0.2429 0.3150 0.3150 0.4182 0.4182 0.4683 0.4683 0.5114 0.5114 0.5646 0.5646 1.0539 1.0539 1.0953 1.0953 2.3534 2.3534 2.3624 2.3624 3.3119 3.3119 3.3185 3.3185 4.2481 4.2481 4.2563 4.2563 5.3887 5.3887 5.4041 5.4041 5.6912 5.6912 5.7120 5.7120 8.9954 8.9954 9.0049 9.0049 9.7190 9.7190 9.7225 9.7225 10.2531 10.2531 k = 0.5000 0.3606 0.3264 ( 5170 PWs) bands (ev): -5.0210 -5.0210 -5.0208 -5.0208 -3.5153 -3.5153 -3.5142 -3.5142 -0.3827 -0.3827 -0.3540 -0.3540 0.0835 0.0835 0.0996 0.0996 0.2401 0.2401 0.3137 0.3137 0.4161 0.4161 0.4693 0.4693 0.5117 0.5117 0.5665 0.5665 1.0337 1.0337 1.0755 1.0755 2.4126 2.4126 2.4216 2.4216 3.3149 3.3149 3.3211 3.3211 4.2596 4.2596 4.2680 4.2680 5.3608 5.3608 5.3760 5.3760 5.6881 5.6881 5.7083 5.7083 8.9231 8.9231 8.9323 8.9323 9.6359 9.6359 9.6393 9.6393 10.2274 10.2274 k = 0.5000 0.3606 0.3060 ( 5178 PWs) bands (ev): -5.0381 -5.0381 -5.0378 -5.0378 -3.4903 -3.4903 -3.4893 -3.4893 -0.3864 -0.3864 -0.3584 -0.3584 0.0859 0.0859 0.1012 0.1012 0.2369 0.2369 0.3121 0.3121 0.4139 0.4139 0.4699 0.4699 0.5125 0.5125 0.5684 0.5684 1.0100 1.0100 1.0522 1.0522 2.4724 2.4724 2.4813 2.4813 3.3172 3.3172 3.3232 3.3232 4.2771 4.2771 4.2857 4.2857 5.3340 5.3340 5.3491 5.3491 5.6874 5.6874 5.7069 5.7069 8.8530 8.8530 8.8619 8.8619 9.5519 9.5519 9.5551 9.5551 10.1971 10.1971 k = 0.5000 0.3606 0.2856 ( 5174 PWs) bands (ev): -5.0546 -5.0546 -5.0544 -5.0544 -3.4650 -3.4650 -3.4640 -3.4640 -0.3905 -0.3905 -0.3631 -0.3631 0.0885 0.0885 0.1032 0.1032 0.2331 0.2331 0.3101 0.3101 0.4116 0.4116 0.4701 0.4701 0.5136 0.5136 0.5701 0.5701 0.9836 0.9836 1.0262 1.0262 2.5317 2.5317 2.5405 2.5405 3.3189 3.3189 3.3246 3.3246 4.3001 4.3001 4.3089 4.3089 5.3083 5.3083 5.3233 5.3233 5.6890 5.6890 5.7079 5.7079 8.7860 8.7860 8.7945 8.7945 9.4683 9.4683 9.4713 9.4713 10.1613 10.1613 k = 0.5000 0.3606 0.2652 ( 5166 PWs) bands (ev): -5.0706 -5.0706 -5.0704 -5.0704 -3.4396 -3.4396 -3.4387 -3.4387 -0.3948 -0.3948 -0.3683 -0.3683 0.0911 0.0911 0.1057 0.1057 0.2289 0.2289 0.3074 0.3074 0.4094 0.4094 0.4699 0.4699 0.5151 0.5151 0.5717 0.5717 0.9557 0.9557 0.9985 0.9985 2.5899 2.5899 2.5986 2.5986 3.3200 3.3200 3.3254 3.3254 4.3280 4.3280 4.3370 4.3370 5.2837 5.2837 5.2986 5.2986 5.6930 5.6930 5.7112 5.7112 8.7229 8.7229 8.7309 8.7309 9.3859 9.3859 9.3888 9.3888 10.1197 10.1197 k = 0.5000 0.3606 0.2448 ( 5170 PWs) bands (ev): -5.0857 -5.0857 -5.0855 -5.0855 -3.4144 -3.4144 -3.4135 -3.4135 -0.3992 -0.3992 -0.3739 -0.3739 0.0940 0.0940 0.1085 0.1085 0.2242 0.2242 0.3038 0.3038 0.4074 0.4074 0.4692 0.4692 0.5169 0.5169 0.5732 0.5732 0.9269 0.9269 0.9699 0.9699 2.6462 2.6462 2.6548 2.6548 3.3203 3.3203 3.3255 3.3255 4.3601 4.3601 4.3693 4.3693 5.2601 5.2601 5.2749 5.2749 5.6993 5.6993 5.7167 5.7167 8.6644 8.6644 8.6719 8.6719 9.3055 9.3055 9.3082 9.3082 10.0721 10.0721 k = 0.5000 0.3606 0.2244 ( 5174 PWs) bands (ev): -5.1001 -5.1001 -5.0999 -5.0999 -3.3898 -3.3898 -3.3889 -3.3889 -0.4039 -0.4039 -0.3798 -0.3798 0.0971 0.0971 0.1117 0.1117 0.2191 0.2191 0.2991 0.2991 0.4058 0.4058 0.4682 0.4682 0.5191 0.5191 0.5745 0.5745 0.8982 0.8982 0.9412 0.9412 2.7003 2.7003 2.7087 2.7087 3.3197 3.3197 3.3248 3.3248 4.3957 4.3957 4.4052 4.4052 5.2374 5.2374 5.2520 5.2520 5.7077 5.7077 5.7243 5.7243 8.6112 8.6112 8.6182 8.6182 9.2274 9.2274 9.2300 9.2300 10.0187 10.0187 k = 0.5000 0.3606 0.2040 ( 5178 PWs) bands (ev): -5.1135 -5.1135 -5.1133 -5.1133 -3.3659 -3.3659 -3.3651 -3.3651 -0.4086 -0.4086 -0.3859 -0.3859 0.1004 0.1004 0.1154 0.1154 0.2136 0.2136 0.2931 0.2931 0.4047 0.4047 0.4668 0.4668 0.5215 0.5215 0.5756 0.5756 0.8702 0.8702 0.9130 0.9130 2.7515 2.7515 2.7597 2.7597 3.3182 3.3182 3.3233 3.3233 4.4339 4.4339 4.4437 4.4437 5.2154 5.2154 5.2298 5.2298 5.7181 5.7181 5.7336 5.7336 8.5637 8.5637 8.5702 8.5702 9.1520 9.1520 9.1544 9.1544 9.9604 9.9604 k = 0.5000 0.3606 0.1836 ( 5180 PWs) bands (ev): -5.1258 -5.1258 -5.1257 -5.1257 -3.3432 -3.3432 -3.3425 -3.3425 -0.4132 -0.4132 -0.3923 -0.3923 0.1040 0.1040 0.1195 0.1195 0.2079 0.2079 0.2858 0.2858 0.4044 0.4044 0.4650 0.4650 0.5242 0.5242 0.5764 0.5764 0.8437 0.8437 0.8859 0.8859 2.7997 2.7997 2.8077 2.8077 3.3158 3.3158 3.3207 3.3207 4.4741 4.4741 4.4841 4.4841 5.1941 5.1941 5.2082 5.2082 5.7300 5.7300 5.7445 5.7445 8.5227 8.5227 8.5286 8.5286 9.0795 9.0795 9.0818 9.0818 9.8982 9.8982 k = 0.5000 0.3606 0.1632 ( 5180 PWs) bands (ev): -5.1371 -5.1371 -5.1369 -5.1369 -3.3218 -3.3218 -3.3212 -3.3212 -0.4178 -0.4178 -0.3986 -0.3986 0.1080 0.1080 0.1241 0.1241 0.2018 0.2018 0.2772 0.2772 0.4049 0.4049 0.4629 0.4629 0.5272 0.5272 0.5769 0.5769 0.8192 0.8192 0.8604 0.8604 2.8446 2.8446 2.8522 2.8522 3.3122 3.3122 3.3171 3.3171 4.5151 4.5151 4.5253 4.5253 5.1734 5.1734 5.1871 5.1871 5.7432 5.7432 5.7564 5.7564 8.4886 8.4886 8.4938 8.4938 9.0102 9.0102 9.0124 9.0124 9.8340 9.8340 k = 0.5000 0.3606 0.1428 ( 5180 PWs) bands (ev): -5.1471 -5.1471 -5.1470 -5.1470 -3.3022 -3.3022 -3.3016 -3.3016 -0.4220 -0.4220 -0.4049 -0.4049 0.1122 0.1122 0.1293 0.1293 0.1956 0.1956 0.2674 0.2674 0.4063 0.4063 0.4604 0.4604 0.5303 0.5303 0.5769 0.5769 0.7972 0.7972 0.8367 0.8367 2.8859 2.8859 2.8932 2.8932 3.3077 3.3077 3.3125 3.3125 4.5562 4.5562 4.5665 4.5665 5.1533 5.1533 5.1665 5.1665 5.7571 5.7571 5.7690 5.7690 8.4617 8.4617 8.4663 8.4663 8.9442 8.9442 8.9462 8.9462 9.7699 9.7699 k = 0.5000 0.3606 0.1224 ( 5180 PWs) bands (ev): -5.1560 -5.1560 -5.1559 -5.1559 -3.2845 -3.2845 -3.2839 -3.2839 -0.4259 -0.4259 -0.4109 -0.4109 0.1168 0.1168 0.1352 0.1352 0.1892 0.1892 0.2566 0.2566 0.4084 0.4084 0.4574 0.4574 0.5337 0.5337 0.5764 0.5764 0.7783 0.7783 0.8153 0.8153 2.9235 2.9235 2.9304 2.9304 3.3021 3.3021 3.3068 3.3068 4.5963 4.5963 4.6064 4.6064 5.1339 5.1339 5.1465 5.1465 5.7711 5.7711 5.7816 5.7816 8.4422 8.4422 8.4462 8.4462 8.8818 8.8818 8.8837 8.8837 9.7083 9.7083 k = 0.5000 0.3606 0.1020 ( 5172 PWs) bands (ev): -5.1636 -5.1636 -5.1635 -5.1635 -3.2690 -3.2690 -3.2685 -3.2685 -0.4293 -0.4293 -0.4165 -0.4165 0.1217 0.1217 0.1417 0.1417 0.1828 0.1828 0.2452 0.2452 0.4112 0.4112 0.4541 0.4541 0.5374 0.5374 0.5751 0.5751 0.7628 0.7628 0.7962 0.7962 2.9571 2.9571 2.9634 2.9634 3.2959 3.2959 3.3003 3.3003 4.6343 4.6343 4.6440 4.6440 5.1154 5.1154 5.1271 5.1271 5.7846 5.7846 5.7936 5.7936 8.4301 8.4301 8.4336 8.4336 8.8235 8.8235 8.8254 8.8254 9.6516 9.6516 k = 0.5000 0.3606 0.0816 ( 5162 PWs) bands (ev): -5.1698 -5.1698 -5.1697 -5.1697 -3.2560 -3.2560 -3.2556 -3.2556 -0.4320 -0.4320 -0.4217 -0.4217 0.1268 0.1268 0.1488 0.1488 0.1764 0.1764 0.2333 0.2333 0.4147 0.4147 0.4503 0.4503 0.5413 0.5413 0.5731 0.5731 0.7509 0.7509 0.7796 0.7796 2.9863 2.9863 2.9918 2.9918 3.2893 3.2893 3.2934 3.2934 4.6690 4.6690 4.6781 4.6781 5.0983 5.0983 5.1087 5.1087 5.7970 5.7970 5.8044 5.8044 8.4251 8.4251 8.4281 8.4281 8.7702 8.7702 8.7719 8.7719 9.6021 9.6021 k = 0.5000 0.3606 0.0612 ( 5166 PWs) bands (ev): -5.1747 -5.1747 -5.1746 -5.1746 -3.2456 -3.2456 -3.2453 -3.2453 -0.4340 -0.4340 -0.4261 -0.4261 0.1323 0.1323 0.1564 0.1564 0.1703 0.1703 0.2213 0.2213 0.4187 0.4187 0.4462 0.4462 0.5453 0.5453 0.5703 0.5703 0.7427 0.7427 0.7656 0.7656 3.0106 3.0106 3.0151 3.0151 3.2830 3.2830 3.2864 3.2864 4.6992 4.6992 4.7069 4.7069 5.0833 5.0833 5.0920 5.0920 5.8077 5.8077 5.8134 5.8134 8.4262 8.4262 8.4286 8.4286 8.7233 8.7233 8.7248 8.7248 9.5617 9.5617 k = 0.5000 0.3606 0.0408 ( 5174 PWs) bands (ev): -5.1782 -5.1782 -5.1782 -5.1782 -3.2380 -3.2380 -3.2378 -3.2378 -0.4351 -0.4351 -0.4298 -0.4298 0.1379 0.1379 0.1605 0.1605 0.1686 0.1686 0.2094 0.2094 0.4230 0.4230 0.4418 0.4418 0.5496 0.5496 0.5668 0.5668 0.7383 0.7383 0.7542 0.7542 3.0292 3.0292 3.0325 3.0325 3.2777 3.2777 3.2802 3.2802 4.7233 4.7233 4.7290 4.7290 5.0716 5.0716 5.0780 5.0780 5.8161 5.8161 5.8199 5.8199 8.4314 8.4314 8.4332 8.4332 8.6851 8.6851 8.6864 8.6864 9.5319 9.5319 k = 0.5000 0.3606 0.0204 ( 5170 PWs) bands (ev): -5.1803 -5.1803 -5.1803 -5.1803 -3.2334 -3.2334 -3.2333 -3.2333 -0.4352 -0.4352 -0.4326 -0.4326 0.1437 0.1437 0.1557 0.1557 0.1766 0.1766 0.1978 0.1978 0.4276 0.4276 0.4371 0.4371 0.5540 0.5540 0.5628 0.5628 0.7375 0.7375 0.7457 0.7457 3.0413 3.0413 3.0430 3.0430 3.2743 3.2743 3.2757 3.2757 4.7394 4.7394 4.7426 4.7426 5.0646 5.0646 5.0680 5.0680 5.8217 5.8217 5.8236 5.8236 8.4376 8.4376 8.4386 8.4386 8.6594 8.6594 8.6601 8.6601 9.5138 9.5138 k = 0.5000 0.3606-0.0000 ( 5162 PWs) bands (ev): -5.1810 -5.1810 -5.1810 -5.1810 -3.2319 -3.2319 -3.2319 -3.2319 -0.4344 -0.4344 -0.4344 -0.4344 0.1497 0.1497 0.1497 0.1497 0.1868 0.1868 0.1868 0.1868 0.4324 0.4324 0.4324 0.4324 0.5585 0.5585 0.5585 0.5585 0.7400 0.7400 0.7400 0.7400 3.0460 3.0460 3.0460 3.0460 3.2736 3.2736 3.2736 3.2736 4.7461 4.7461 4.7461 4.7461 5.0633 5.0633 5.0633 5.0633 5.8243 5.8243 5.8243 5.8243 8.4407 8.4407 8.4407 8.4407 8.6504 8.6504 8.6504 8.6504 9.5080 9.5080 k = 0.0000 0.0000 0.8547 ( 5152 PWs) bands (ev): -4.7697 -4.7697 -4.7696 -4.7696 -3.6971 -3.6971 -3.6958 -3.6958 -0.4044 -0.4044 -0.3723 -0.3723 0.0625 0.0625 0.1271 0.1271 0.2060 0.2060 0.2318 0.2318 0.3913 0.3913 0.4179 0.4179 0.5046 0.5046 0.5059 0.5059 0.5638 0.5638 0.5790 0.5790 1.8925 1.8925 1.9146 1.9146 3.1500 3.1500 3.1521 3.1521 5.0985 5.0985 5.1013 5.1013 5.9167 5.9167 5.9248 5.9248 6.3830 6.3830 6.3870 6.3870 8.9472 8.9472 8.9480 8.9480 10.1452 10.1452 10.1494 10.1494 10.8253 10.8253 k = 0.0167 0.0120 0.8547 ( 5158 PWs) bands (ev): -4.7696 -4.7696 -4.7696 -4.7696 -3.6972 -3.6971 -3.6959 -3.6959 -0.4047 -0.4034 -0.3744 -0.3696 0.0618 0.0635 0.1242 0.1295 0.1945 0.2182 0.2316 0.2333 0.3897 0.3930 0.4125 0.4232 0.4974 0.5052 0.5063 0.5120 0.5585 0.5707 0.5767 0.5837 1.8841 1.8862 1.9057 1.9084 3.1588 3.1596 3.1601 3.1621 5.0964 5.0964 5.0992 5.0992 5.9164 5.9167 5.9242 5.9252 6.3785 6.3788 6.3823 6.3830 8.9534 8.9537 8.9541 8.9546 10.1450 10.1451 10.1492 10.1493 10.8247 10.8247 k = 0.0333 0.0240 0.8547 ( 5166 PWs) bands (ev): -4.7696 -4.7695 -4.7695 -4.7695 -3.6975 -3.6973 -3.6962 -3.6962 -0.4043 -0.4016 -0.3758 -0.3661 0.0612 0.0647 0.1208 0.1311 0.1837 0.2309 0.2327 0.2361 0.3884 0.3947 0.4072 0.4284 0.4908 0.5042 0.5064 0.5190 0.5557 0.5766 0.5790 0.5908 1.8618 1.8658 1.8825 1.8877 3.1853 3.1856 3.1867 3.1895 5.0902 5.0903 5.0930 5.0931 5.9158 5.9165 5.9233 5.9253 6.3656 6.3662 6.3693 6.3706 8.9721 8.9726 8.9726 8.9737 10.1444 10.1445 10.1485 10.1486 10.8230 10.8231 k = 0.0500 0.0361 0.8547 ( 5164 PWs) bands (ev): -4.7694 -4.7694 -4.7694 -4.7693 -3.6980 -3.6976 -3.6966 -3.6966 -0.4032 -0.3993 -0.3766 -0.3621 0.0609 0.0662 0.1171 0.1322 0.1738 0.2352 0.2399 0.2442 0.3874 0.3964 0.4021 0.4334 0.4846 0.5032 0.5063 0.5240 0.5571 0.5786 0.5888 0.6005 1.8275 1.8332 1.8469 1.8546 3.2265 3.2275 3.2293 3.2321 5.0797 5.0799 5.0826 5.0827 5.9149 5.9160 5.9220 5.9252 6.3451 6.3461 6.3488 6.3506 9.0026 9.0030 9.0034 9.0045 10.1432 10.1434 10.1471 10.1474 10.8203 10.8205 k = 0.0667 0.0481 0.8547 ( 5170 PWs) bands (ev): -4.7693 -4.7692 -4.7692 -4.7692 -3.6987 -3.6981 -3.6972 -3.6972 -0.4014 -0.3964 -0.3768 -0.3576 0.0609 0.0678 0.1132 0.1326 0.1646 0.2386 0.2445 0.2576 0.3868 0.3973 0.3980 0.4381 0.4790 0.5023 0.5059 0.5255 0.5639 0.5828 0.5999 0.6126 1.7839 1.7909 1.8017 1.8117 3.2803 3.2826 3.2846 3.2874 5.0649 5.0651 5.0677 5.0680 5.9137 5.9154 5.9205 5.9248 6.3183 6.3198 6.3222 6.3242 9.0437 9.0440 9.0447 9.0458 10.1411 10.1413 10.1448 10.1451 10.8169 10.8172 k = 0.0833 0.0601 0.8547 ( 5170 PWs) bands (ev): -4.7690 -4.7690 -4.7690 -4.7689 -3.6994 -3.6988 -3.6979 -3.6979 -0.3992 -0.3930 -0.3765 -0.3527 0.0611 0.0696 0.1091 0.1326 0.1561 0.2429 0.2499 0.2708 0.3867 0.3929 0.3995 0.4424 0.4737 0.5014 0.5054 0.5246 0.5754 0.5891 0.6126 0.6273 1.7337 1.7417 1.7496 1.7618 3.3442 3.3478 3.3498 3.3525 5.0453 5.0458 5.0481 5.0487 5.9122 5.9146 5.9187 5.9242 6.2868 6.2890 6.2911 6.2930 9.0940 9.0943 9.0953 9.0964 10.1377 10.1378 10.1410 10.1414 10.8131 10.8135 k = 0.1000 0.0721 0.8547 ( 5168 PWs) bands (ev): -4.7688 -4.7687 -4.7687 -4.7687 -3.7002 -3.6995 -3.6987 -3.6987 -0.3965 -0.3894 -0.3758 -0.3476 0.0615 0.0716 0.1051 0.1323 0.1484 0.2477 0.2557 0.2835 0.3872 0.3890 0.4007 0.4464 0.4687 0.5007 0.5047 0.5225 0.5900 0.5976 0.6268 0.6444 1.6793 1.6881 1.6930 1.7074 3.4154 3.4204 3.4220 3.4249 5.0210 5.0218 5.0238 5.0247 5.9104 5.9137 5.9165 5.9235 6.2523 6.2553 6.2573 6.2588 9.1520 9.1523 9.1535 9.1545 10.1324 10.1324 10.1353 10.1357 10.8093 10.8098 k = 0.1167 0.0841 0.8547 ( 5172 PWs) bands (ev): -4.7685 -4.7685 -4.7685 -4.7684 -3.7011 -3.7002 -3.6995 -3.6995 -0.3935 -0.3856 -0.3749 -0.3424 0.0621 0.0737 0.1012 0.1317 0.1414 0.2527 0.2619 0.2950 0.3859 0.3883 0.4017 0.4499 0.4640 0.5003 0.5040 0.5202 0.6068 0.6083 0.6425 0.6638 1.6230 1.6323 1.6342 1.6508 3.4915 3.4979 3.4990 3.5020 4.9919 4.9931 4.9946 4.9960 5.9082 5.9126 5.9140 5.9226 6.2168 6.2208 6.2226 6.2234 9.2159 9.2163 9.2177 9.2185 10.1244 10.1246 10.1269 10.1273 10.8060 10.8066 k = 0.1333 0.0962 0.8547 ( 5178 PWs) bands (ev): -4.7683 -4.7682 -4.7682 -4.7682 -3.7020 -3.7010 -3.7004 -3.7004 -0.3903 -0.3818 -0.3739 -0.3373 0.0630 0.0760 0.0973 0.1309 0.1350 0.2575 0.2683 0.3047 0.3839 0.3900 0.4023 0.4530 0.4595 0.5001 0.5033 0.5178 0.6212 0.6251 0.6596 0.6852 1.5668 1.5750 1.5762 1.5939 3.5702 3.5780 3.5784 3.5818 4.9581 4.9599 4.9608 4.9627 5.9057 5.9111 5.9116 5.9216 6.1818 6.1871 6.1884 6.1888 9.2840 9.2845 9.2860 9.2866 10.1131 10.1136 10.1152 10.1155 10.8038 10.8046 k = 0.1500 0.1082 0.8547 ( 5182 PWs) bands (ev): -4.7680 -4.7679 -4.7679 -4.7679 -3.7029 -3.7018 -3.7012 -3.7012 -0.3870 -0.3782 -0.3729 -0.3324 0.0641 0.0783 0.0936 0.1293 0.1302 0.2620 0.2747 0.3121 0.3831 0.3922 0.4026 0.4552 0.4557 0.5002 0.5026 0.5156 0.6361 0.6444 0.6777 0.7082 1.5125 1.5170 1.5216 1.5384 3.6492 3.6581 3.6584 3.6619 4.9202 4.9227 4.9227 4.9256 5.9030 5.9080 5.9105 5.9204 6.1490 6.1555 6.1558 6.1575 9.3544 9.3552 9.3566 9.3569 10.0980 10.0987 10.0996 10.0998 10.8031 10.8042 k = 0.1667 0.1202 0.8547 ( 5180 PWs) bands (ev): -4.7678 -4.7677 -4.7677 -4.7676 -3.7037 -3.7025 -3.7020 -3.7020 -0.3839 -0.3748 -0.3720 -0.3280 0.0654 0.0807 0.0901 0.1241 0.1295 0.2660 0.2811 0.3168 0.3837 0.3948 0.4026 0.4510 0.4581 0.5005 0.5019 0.5135 0.6526 0.6638 0.6965 0.7322 1.4619 1.4621 1.4703 1.4861 3.7262 3.7356 3.7370 3.7401 4.8793 4.8817 4.8827 4.8855 5.9001 5.9046 5.9095 5.9192 6.1196 6.1259 6.1282 6.1298 9.4251 9.4262 9.4275 9.4275 10.0787 10.0797 10.0797 10.0797 10.8042 10.8056 k = 0.1833 0.1322 0.8547 ( 5176 PWs) bands (ev): -4.7676 -4.7675 -4.7675 -4.7674 -3.7044 -3.7031 -3.7028 -3.7027 -0.3809 -0.3719 -0.3714 -0.3242 0.0670 0.0830 0.0867 0.1196 0.1288 0.2693 0.2874 0.3189 0.3856 0.3978 0.4023 0.4471 0.4600 0.5011 0.5013 0.5115 0.6699 0.6823 0.7149 0.7561 1.4119 1.4170 1.4241 1.4384 3.7983 3.8082 3.8108 3.8134 4.8372 4.8394 4.8418 4.8445 5.8973 5.9011 5.9086 5.9180 6.0946 6.1006 6.1052 6.1066 9.4938 9.4954 9.4961 9.4964 10.0552 10.0553 10.0558 10.0565 10.8071 10.8089 k = 0.2000 0.1443 0.8547 ( 5184 PWs) bands (ev): -4.7674 -4.7673 -4.7673 -4.7672 -3.7050 -3.7036 -3.7034 -3.7032 -0.3782 -0.3710 -0.3695 -0.3211 0.0687 0.0835 0.0853 0.1157 0.1283 0.2719 0.2934 0.3186 0.3883 0.4008 0.4015 0.4436 0.4614 0.5008 0.5018 0.5097 0.6868 0.6985 0.7319 0.7784 1.3685 1.3797 1.3848 1.3974 3.8620 3.8724 3.8763 3.8785 4.7970 4.7988 4.8028 4.8052 5.8947 5.8977 5.9078 5.9169 6.0748 6.0804 6.0872 6.0883 9.5577 9.5596 9.5598 9.5603 10.0278 10.0287 10.0289 10.0303 10.8112 10.8136 k = 0.2167 0.1563 0.8547 ( 5172 PWs) bands (ev): -4.7672 -4.7672 -4.7672 -4.7671 -3.7054 -3.7040 -3.7038 -3.7037 -0.3759 -0.3711 -0.3677 -0.3187 0.0707 0.0806 0.0873 0.1126 0.1279 0.2737 0.2991 0.3166 0.3913 0.4003 0.4034 0.4406 0.4625 0.5005 0.5028 0.5081 0.7017 0.7109 0.7459 0.7972 1.3345 1.3521 1.3545 1.3648 3.9131 3.9239 3.9292 3.9308 4.7626 4.7639 4.7695 4.7718 5.8927 5.8948 5.9072 5.9159 6.0605 6.0657 6.0745 6.0753 9.6125 9.6140 9.6150 9.6152 9.9999 10.0017 10.0018 10.0037 10.8156 10.8189 k = 0.2333 0.1683 0.8547 ( 5176 PWs) bands (ev): -4.7672 -4.7671 -4.7671 -4.7670 -3.7057 -3.7042 -3.7041 -3.7039 -0.3739 -0.3715 -0.3666 -0.3173 0.0729 0.0778 0.0887 0.1105 0.1277 0.2748 0.3044 0.3134 0.3941 0.3987 0.4054 0.4386 0.4631 0.5002 0.5039 0.5065 0.7128 0.7179 0.7552 0.8099 1.3125 1.3353 1.3361 1.3428 3.9467 3.9578 3.9643 3.9652 4.7390 4.7397 4.7467 4.7488 5.8916 5.8927 5.9068 5.9153 6.0518 6.0568 6.0670 6.0674 9.6517 9.6525 9.6539 9.6549 9.9771 9.9797 9.9799 9.9821 10.8190 10.8227 k = 0.2500 0.1803 0.8547 ( 5176 PWs) bands (ev): -4.7671 -4.7670 -4.7670 -4.7670 -3.7058 -3.7043 -3.7043 -3.7040 -0.3725 -0.3725 -0.3662 -0.3168 0.0752 0.0752 0.0892 0.1098 0.1276 0.2752 0.3092 0.3092 0.3966 0.3966 0.4061 0.4378 0.4634 0.5001 0.5052 0.5052 0.7185 0.7185 0.7585 0.8144 1.3048 1.3287 1.3329 1.3329 3.9585 3.9697 3.9770 3.9770 4.7307 4.7307 4.7385 4.7405 5.8915 5.8916 5.9067 5.9150 6.0489 6.0538 6.0647 6.0647 9.6667 9.6667 9.6684 9.6699 9.9678 9.9710 9.9710 9.9734 10.8203 10.8236 Writing output data file ZnSiP2.save init_run : 4.58s CPU 14.40s WALL ( 1 calls) electrons : 1361.87s CPU 1371.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 1361.84s CPU 1371.17s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.05s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.05s CPU 0.67s WALL ( 1 calls) newd : 0.67s CPU 0.87s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 287 calls) cegterg : 1286.30s CPU 1292.66s WALL ( 862 calls) Called by sum_band: Called by *egterg: h_psi : 654.31s CPU 664.86s WALL ( 15860 calls) s_psi : 83.08s CPU 83.48s WALL ( 15860 calls) g_psi : 0.94s CPU 0.99s WALL ( 14711 calls) cdiaghg : 429.87s CPU 426.57s WALL ( 14998 calls) cegterg:over : 81.60s CPU 78.21s WALL ( 14711 calls) cegterg:upda : 20.38s CPU 24.73s WALL ( 14711 calls) cegterg:last : 15.62s CPU 16.31s WALL ( 2010 calls) Called by h_psi: h_psi:vloc : 504.13s CPU 512.10s WALL ( 15860 calls) h_psi:vnl : 149.61s CPU 151.51s WALL ( 15860 calls) add_vuspsi : 60.31s CPU 65.42s WALL ( 15860 calls) General routines calbec : 89.23s CPU 85.93s WALL ( 15860 calls) fft : 0.47s CPU 1.24s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 474.37s CPU 479.91s WALL ( 1444360 calls) interpolate : 0.01s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 1.97s WALL ( 574 calls) Parallel routines fft_scatter : 268.99s CPU 269.52s WALL ( 1444383 calls) PWSCF : 23m43.11s CPU 26m13.38s WALL This run was terminated on: 4:56:32 21Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=