Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:18:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na2Fe2Se2O.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 108 89 25 2277 1703 262 Max 109 90 26 2279 1723 264 Sum 3917 3233 925 82007 61673 9471 bravais-lattice index = 14 lattice parameter (alat) = 14.8825 a.u. unit-cell volume = 833.2717 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.882530 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.864024 celldm(5)= -0.864024 celldm(6)= 0.728047 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.728047 0.685527 0.000000 ) a(3) = ( -0.864024 -0.342763 0.368750 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.062026 1.355933 ) b(2) = ( 0.000000 1.458732 1.355933 ) b(3) = ( 0.000000 0.000000 2.711866 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) Na 9.00 22.98980 Na( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0000000 0.0000000 0.0246533), wk = 0.0030211 k( 3) = ( 0.0000000 0.0000000 0.0493067), wk = 0.0030211 k( 4) = ( 0.0000000 0.0000000 0.0739600), wk = 0.0030211 k( 5) = ( 0.0000000 0.0000000 0.0986133), wk = 0.0030211 k( 6) = ( 0.0000000 0.0000000 0.1232667), wk = 0.0030211 k( 7) = ( 0.0000000 0.0000000 0.1479200), wk = 0.0030211 k( 8) = ( 0.0000000 0.0000000 0.1725733), wk = 0.0030211 k( 9) = ( 0.0000000 0.0000000 0.1972266), wk = 0.0030211 k( 10) = ( 0.0000000 0.0000000 0.2218799), wk = 0.0030211 k( 11) = ( 0.0000000 0.0000000 0.2465333), wk = 0.0030211 k( 12) = ( 0.0000000 0.0000000 0.2711866), wk = 0.0030211 k( 13) = ( 0.0000000 0.0000000 0.2958399), wk = 0.0030211 k( 14) = ( 0.0000000 0.0000000 0.3204933), wk = 0.0030211 k( 15) = ( 0.0000000 0.0000000 0.3451466), wk = 0.0030211 k( 16) = ( 0.0000000 0.0000000 0.3697999), wk = 0.0030211 k( 17) = ( 0.0000000 0.0000000 0.3944533), wk = 0.0030211 k( 18) = ( 0.0000000 0.0000000 0.4191066), wk = 0.0030211 k( 19) = ( 0.0000000 0.0000000 0.4437599), wk = 0.0030211 k( 20) = ( 0.0000000 0.0000000 0.4684132), wk = 0.0030211 k( 21) = ( 0.0000000 0.0000000 0.4930666), wk = 0.0030211 k( 22) = ( 0.0000000 0.0000000 0.5177199), wk = 0.0030211 k( 23) = ( 0.0000000 0.0000000 0.5423732), wk = 0.0030211 k( 24) = ( 0.0000000 0.0000000 0.5670265), wk = 0.0030211 k( 25) = ( 0.0000000 0.0000000 0.5916799), wk = 0.0030211 k( 26) = ( 0.0000000 0.0000000 0.6163332), wk = 0.0030211 k( 27) = ( 0.0000000 0.0000000 0.6409865), wk = 0.0030211 k( 28) = ( 0.0000000 0.0000000 0.6656399), wk = 0.0030211 k( 29) = ( 0.0000000 0.0000000 0.6902932), wk = 0.0030211 k( 30) = ( 0.0000000 0.0000000 0.7149465), wk = 0.0030211 k( 31) = ( 0.0000000 0.0000000 0.7395998), wk = 0.0030211 k( 32) = ( 0.0000000 0.0000000 0.7642532), wk = 0.0030211 k( 33) = ( 0.0000000 0.0000000 0.7889065), wk = 0.0030211 k( 34) = ( 0.0000000 0.0000000 0.8135598), wk = 0.0030211 k( 35) = ( 0.0000000 0.0000000 0.8382131), wk = 0.0030211 k( 36) = ( 0.0000000 0.0000000 0.8628665), wk = 0.0030211 k( 37) = ( 0.0000000 0.0000000 0.8875198), wk = 0.0030211 k( 38) = ( 0.0000000 0.0000000 0.9121731), wk = 0.0030211 k( 39) = ( 0.0000000 0.0000000 0.9368265), wk = 0.0030211 k( 40) = ( 0.0000000 0.0000000 0.9614798), wk = 0.0030211 k( 41) = ( 0.0000000 0.0000000 0.9861331), wk = 0.0030211 k( 42) = ( 0.0000000 0.0000000 1.0107864), wk = 0.0030211 k( 43) = ( 0.0000000 0.0000000 1.0354398), wk = 0.0030211 k( 44) = ( 0.0000000 0.0000000 1.0600931), wk = 0.0030211 k( 45) = ( 0.0000000 0.0000000 1.0847464), wk = 0.0030211 k( 46) = ( 0.0000000 0.0000000 1.1093998), wk = 0.0030211 k( 47) = ( 0.0000000 0.0000000 1.1340531), wk = 0.0030211 k( 48) = ( 0.0000000 0.0000000 1.1587064), wk = 0.0030211 k( 49) = ( 0.0000000 0.0000000 1.1833597), wk = 0.0030211 k( 50) = ( 0.0000000 0.0000000 1.2080131), wk = 0.0030211 k( 51) = ( 0.0000000 0.0000000 1.2326664), wk = 0.0030211 k( 52) = ( 0.0000000 0.0000000 1.2573197), wk = 0.0030211 k( 53) = ( 0.0000000 0.0000000 1.2819730), wk = 0.0030211 k( 54) = ( 0.0000000 0.0000000 1.3066264), wk = 0.0030211 k( 55) = ( 0.0000000 0.0000000 1.3312797), wk = 0.0030211 k( 56) = ( 0.0000000 0.0000000 1.3559330), wk = 0.0030211 k( 57) = ( 0.0000000 0.0000000 1.3559330), wk = 0.0030211 k( 58) = ( -0.0078688 0.0198353 1.3559330), wk = 0.0030211 k( 59) = ( -0.0157376 0.0396706 1.3559330), wk = 0.0030211 k( 60) = ( -0.0236064 0.0595059 1.3559330), wk = 0.0030211 k( 61) = ( -0.0314752 0.0793412 1.3559330), wk = 0.0030211 k( 62) = ( -0.0393440 0.0991766 1.3559330), wk = 0.0030211 k( 63) = ( -0.0393440 0.0991766 1.3559330), wk = 0.0030211 k( 64) = ( -0.0457420 0.1153044 1.3385825), wk = 0.0030211 k( 65) = ( -0.0521399 0.1314322 1.3212320), wk = 0.0030211 k( 66) = ( -0.0585379 0.1475600 1.3038815), wk = 0.0030211 k( 67) = ( -0.0649360 0.1636878 1.2865310), wk = 0.0030211 k( 68) = ( -0.0713339 0.1798156 1.2691804), wk = 0.0030211 k( 69) = ( -0.0777319 0.1959434 1.2518299), wk = 0.0030211 k( 70) = ( -0.0841299 0.2120712 1.2344794), wk = 0.0030211 k( 71) = ( -0.0905279 0.2281990 1.2171289), wk = 0.0030211 k( 72) = ( -0.0969259 0.2443268 1.1997783), wk = 0.0030211 k( 73) = ( -0.1033239 0.2604546 1.1824278), wk = 0.0030211 k( 74) = ( -0.1097220 0.2765824 1.1650773), wk = 0.0030211 k( 75) = ( -0.1161200 0.2927102 1.1477268), wk = 0.0030211 k( 76) = ( -0.1225180 0.3088380 1.1303763), wk = 0.0030211 k( 77) = ( -0.1289160 0.3249659 1.1130257), wk = 0.0030211 k( 78) = ( -0.1353140 0.3410937 1.0956752), wk = 0.0030211 k( 79) = ( -0.1417120 0.3572215 1.0783247), wk = 0.0030211 k( 80) = ( -0.1481100 0.3733493 1.0609742), wk = 0.0030211 k( 81) = ( -0.1545080 0.3894771 1.0436237), wk = 0.0030211 k( 82) = ( -0.1609060 0.4056049 1.0262731), wk = 0.0030211 k( 83) = ( -0.1673040 0.4217327 1.0089226), wk = 0.0030211 k( 84) = ( -0.1737020 0.4378605 0.9915721), wk = 0.0030211 k( 85) = ( -0.1801000 0.4539883 0.9742216), wk = 0.0030211 k( 86) = ( -0.1864980 0.4701161 0.9568710), wk = 0.0030211 k( 87) = ( -0.1928960 0.4862439 0.9395205), wk = 0.0030211 k( 88) = ( -0.1992940 0.5023717 0.9221700), wk = 0.0030211 k( 89) = ( -0.2056920 0.5184995 0.9048195), wk = 0.0030211 k( 90) = ( -0.2120900 0.5346273 0.8874690), wk = 0.0030211 k( 91) = ( -0.2184880 0.5507552 0.8701184), wk = 0.0030211 k( 92) = ( -0.2248860 0.5668830 0.8527679), wk = 0.0030211 k( 93) = ( -0.2312840 0.5830108 0.8354174), wk = 0.0030211 k( 94) = ( -0.2376820 0.5991386 0.8180669), wk = 0.0030211 k( 95) = ( -0.2440800 0.6152664 0.8007164), wk = 0.0030211 k( 96) = ( -0.2504780 0.6313942 0.7833658), wk = 0.0030211 k( 97) = ( -0.2568760 0.6475220 0.7660153), wk = 0.0030211 k( 98) = ( -0.2632740 0.6636498 0.7486648), wk = 0.0030211 k( 99) = ( -0.2696720 0.6797776 0.7313143), wk = 0.0030211 k( 100) = ( -0.2696720 0.6797776 0.7313143), wk = 0.0030211 k( 101) = ( -0.2632512 0.6635924 0.7139020), wk = 0.0030211 k( 102) = ( -0.2568304 0.6474072 0.6964898), wk = 0.0030211 k( 103) = ( -0.2504097 0.6312221 0.6790775), wk = 0.0030211 k( 104) = ( -0.2439889 0.6150369 0.6616653), wk = 0.0030211 k( 105) = ( -0.2375682 0.5988517 0.6442531), wk = 0.0030211 k( 106) = ( -0.2311474 0.5826665 0.6268408), wk = 0.0030211 k( 107) = ( -0.2247266 0.5664813 0.6094285), wk = 0.0030211 k( 108) = ( -0.2183059 0.5502961 0.5920163), wk = 0.0030211 k( 109) = ( -0.2118851 0.5341110 0.5746041), wk = 0.0030211 k( 110) = ( -0.2054644 0.5179258 0.5571918), wk = 0.0030211 k( 111) = ( -0.1990436 0.5017406 0.5397796), wk = 0.0030211 k( 112) = ( -0.1926228 0.4855554 0.5223673), wk = 0.0030211 k( 113) = ( -0.1862021 0.4693703 0.5049551), wk = 0.0030211 k( 114) = ( -0.1797813 0.4531851 0.4875429), wk = 0.0030211 k( 115) = ( -0.1733606 0.4369999 0.4701306), wk = 0.0030211 k( 116) = ( -0.1669398 0.4208147 0.4527184), wk = 0.0030211 k( 117) = ( -0.1605190 0.4046295 0.4353061), wk = 0.0030211 k( 118) = ( -0.1540983 0.3884443 0.4178939), wk = 0.0030211 k( 119) = ( -0.1476775 0.3722592 0.4004816), wk = 0.0030211 k( 120) = ( -0.1412567 0.3560740 0.3830694), wk = 0.0030211 k( 121) = ( -0.1348360 0.3398888 0.3656571), wk = 0.0030211 k( 122) = ( -0.1284152 0.3237036 0.3482449), wk = 0.0030211 k( 123) = ( -0.1219945 0.3075184 0.3308326), wk = 0.0030211 k( 124) = ( -0.1155737 0.2913333 0.3134204), wk = 0.0030211 k( 125) = ( -0.1091529 0.2751481 0.2960082), wk = 0.0030211 k( 126) = ( -0.1027322 0.2589629 0.2785959), wk = 0.0030211 k( 127) = ( -0.0963114 0.2427777 0.2611837), wk = 0.0030211 k( 128) = ( -0.0898907 0.2265925 0.2437714), wk = 0.0030211 k( 129) = ( -0.0834699 0.2104074 0.2263592), wk = 0.0030211 k( 130) = ( -0.0770491 0.1942222 0.2089469), wk = 0.0030211 k( 131) = ( -0.0706284 0.1780370 0.1915347), wk = 0.0030211 k( 132) = ( -0.0642076 0.1618518 0.1741224), wk = 0.0030211 k( 133) = ( -0.0577869 0.1456666 0.1567102), wk = 0.0030211 k( 134) = ( -0.0513661 0.1294814 0.1392980), wk = 0.0030211 k( 135) = ( -0.0449453 0.1132963 0.1218857), wk = 0.0030211 k( 136) = ( -0.0385246 0.0971111 0.1044735), wk = 0.0030211 k( 137) = ( -0.0321038 0.0809259 0.0870612), wk = 0.0030211 k( 138) = ( -0.0256830 0.0647407 0.0696490), wk = 0.0030211 k( 139) = ( -0.0192623 0.0485555 0.0522367), wk = 0.0030211 k( 140) = ( -0.0128415 0.0323704 0.0348245), wk = 0.0030211 k( 141) = ( -0.0064208 0.0161852 0.0174122), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 144) = ( 0.0227273 0.0090160 -0.0000000), wk = 0.0030211 k( 145) = ( 0.0454546 0.0180321 -0.0000000), wk = 0.0030211 k( 146) = ( 0.0681818 0.0270481 -0.0000000), wk = 0.0030211 k( 147) = ( 0.0909091 0.0360642 -0.0000000), wk = 0.0030211 k( 148) = ( 0.1136364 0.0450802 -0.0000000), wk = 0.0030211 k( 149) = ( 0.1363636 0.0540963 -0.0000000), wk = 0.0030211 k( 150) = ( 0.1590909 0.0631123 -0.0000000), wk = 0.0030211 k( 151) = ( 0.1818182 0.0721284 -0.0000000), wk = 0.0030211 k( 152) = ( 0.2045454 0.0811444 -0.0000000), wk = 0.0030211 k( 153) = ( 0.2272727 0.0901605 -0.0000000), wk = 0.0030211 k( 154) = ( 0.2500000 0.0991765 0.0000000), wk = 0.0030211 k( 155) = ( 0.2727273 0.1081926 -0.0000000), wk = 0.0030211 k( 156) = ( 0.2954545 0.1172086 -0.0000000), wk = 0.0030211 k( 157) = ( 0.3181818 0.1262247 -0.0000000), wk = 0.0030211 k( 158) = ( 0.3409091 0.1352407 -0.0000000), wk = 0.0030211 k( 159) = ( 0.3636364 0.1442568 -0.0000000), wk = 0.0030211 k( 160) = ( 0.3863636 0.1532728 -0.0000000), wk = 0.0030211 k( 161) = ( 0.4090909 0.1622889 -0.0000000), wk = 0.0030211 k( 162) = ( 0.4318182 0.1713049 -0.0000000), wk = 0.0030211 k( 163) = ( 0.4545455 0.1803210 -0.0000000), wk = 0.0030211 k( 164) = ( 0.4772727 0.1893370 -0.0000000), wk = 0.0030211 k( 165) = ( 0.5000000 0.1983531 0.0000000), wk = 0.0030211 k( 166) = ( 0.5000000 0.1983531 0.0000000), wk = 0.0030211 k( 167) = ( 0.4936020 0.2144809 0.0173505), wk = 0.0030211 k( 168) = ( 0.4872040 0.2306087 0.0347010), wk = 0.0030211 k( 169) = ( 0.4808060 0.2467365 0.0520516), wk = 0.0030211 k( 170) = ( 0.4744080 0.2628643 0.0694021), wk = 0.0030211 k( 171) = ( 0.4680100 0.2789921 0.0867526), wk = 0.0030211 k( 172) = ( 0.4616120 0.2951199 0.1041031), wk = 0.0030211 k( 173) = ( 0.4552140 0.3112478 0.1214537), wk = 0.0030211 k( 174) = ( 0.4488160 0.3273756 0.1388042), wk = 0.0030211 k( 175) = ( 0.4424180 0.3435034 0.1561547), wk = 0.0030211 k( 176) = ( 0.4360200 0.3596312 0.1735052), wk = 0.0030211 k( 177) = ( 0.4296220 0.3757590 0.1908557), wk = 0.0030211 k( 178) = ( 0.4232240 0.3918868 0.2082063), wk = 0.0030211 k( 179) = ( 0.4168260 0.4080146 0.2255568), wk = 0.0030211 k( 180) = ( 0.4104280 0.4241424 0.2429073), wk = 0.0030211 k( 181) = ( 0.4040300 0.4402702 0.2602578), wk = 0.0030211 k( 182) = ( 0.3976320 0.4563980 0.2776083), wk = 0.0030211 k( 183) = ( 0.3912340 0.4725258 0.2949589), wk = 0.0030211 k( 184) = ( 0.3848360 0.4886536 0.3123094), wk = 0.0030211 k( 185) = ( 0.3784380 0.5047814 0.3296599), wk = 0.0030211 k( 186) = ( 0.3720400 0.5209092 0.3470104), wk = 0.0030211 k( 187) = ( 0.3656420 0.5370371 0.3643610), wk = 0.0030211 k( 188) = ( 0.3592440 0.5531649 0.3817115), wk = 0.0030211 k( 189) = ( 0.3528460 0.5692927 0.3990620), wk = 0.0030211 k( 190) = ( 0.3464480 0.5854205 0.4164125), wk = 0.0030211 k( 191) = ( 0.3400500 0.6015483 0.4337630), wk = 0.0030211 k( 192) = ( 0.3336520 0.6176761 0.4511136), wk = 0.0030211 k( 193) = ( 0.3272540 0.6338039 0.4684641), wk = 0.0030211 k( 194) = ( 0.3208560 0.6499317 0.4858146), wk = 0.0030211 k( 195) = ( 0.3144580 0.6660595 0.5031651), wk = 0.0030211 k( 196) = ( 0.3080600 0.6821873 0.5205156), wk = 0.0030211 k( 197) = ( 0.3016620 0.6983151 0.5378661), wk = 0.0030211 k( 198) = ( 0.2952640 0.7144429 0.5552167), wk = 0.0030211 k( 199) = ( 0.2888660 0.7305707 0.5725672), wk = 0.0030211 k( 200) = ( 0.2824680 0.7466985 0.5899177), wk = 0.0030211 k( 201) = ( 0.2760700 0.7628264 0.6072682), wk = 0.0030211 k( 202) = ( 0.2696720 0.7789542 0.6246188), wk = 0.0030211 k( 203) = ( 0.2696720 0.7789542 0.6246188), wk = 0.0030211 k( 204) = ( 0.2471993 0.7748218 0.6290644), wk = 0.0030211 k( 205) = ( 0.2247266 0.7706894 0.6335101), wk = 0.0030211 k( 206) = ( 0.2022540 0.7665571 0.6379557), wk = 0.0030211 k( 207) = ( 0.1797813 0.7624247 0.6424013), wk = 0.0030211 k( 208) = ( 0.1573086 0.7582924 0.6468470), wk = 0.0030211 k( 209) = ( 0.1348360 0.7541600 0.6512926), wk = 0.0030211 k( 210) = ( 0.1123633 0.7500277 0.6557383), wk = 0.0030211 k( 211) = ( 0.0898907 0.7458953 0.6601839), wk = 0.0030211 k( 212) = ( 0.0674180 0.7417630 0.6646296), wk = 0.0030211 k( 213) = ( 0.0449453 0.7376306 0.6690752), wk = 0.0030211 k( 214) = ( 0.0224727 0.7334982 0.6735209), wk = 0.0030211 k( 215) = ( 0.0000000 0.7293659 0.6779665), wk = 0.0030211 k( 216) = ( 0.0000000 0.7293659 0.6779665), wk = 0.0030211 k( 217) = ( 0.0064103 0.7132072 0.6953503), wk = 0.0030211 k( 218) = ( 0.0128205 0.6970485 0.7127340), wk = 0.0030211 k( 219) = ( 0.0192308 0.6808898 0.7301178), wk = 0.0030211 k( 220) = ( 0.0256410 0.6647311 0.7475016), wk = 0.0030211 k( 221) = ( 0.0320513 0.6485724 0.7648853), wk = 0.0030211 k( 222) = ( 0.0384615 0.6324137 0.7822691), wk = 0.0030211 k( 223) = ( 0.0448718 0.6162550 0.7996528), wk = 0.0030211 k( 224) = ( 0.0512821 0.6000963 0.8170366), wk = 0.0030211 k( 225) = ( 0.0576923 0.5839376 0.8344203), wk = 0.0030211 k( 226) = ( 0.0641026 0.5677789 0.8518041), wk = 0.0030211 k( 227) = ( 0.0705128 0.5516202 0.8691878), wk = 0.0030211 k( 228) = ( 0.0769231 0.5354615 0.8865716), wk = 0.0030211 k( 229) = ( 0.0833333 0.5193028 0.9039553), wk = 0.0030211 k( 230) = ( 0.0897436 0.5031441 0.9213391), wk = 0.0030211 k( 231) = ( 0.0961538 0.4869854 0.9387229), wk = 0.0030211 k( 232) = ( 0.1025641 0.4708267 0.9561066), wk = 0.0030211 k( 233) = ( 0.1089744 0.4546680 0.9734904), wk = 0.0030211 k( 234) = ( 0.1153846 0.4385093 0.9908742), wk = 0.0030211 k( 235) = ( 0.1217949 0.4223506 1.0082579), wk = 0.0030211 k( 236) = ( 0.1282051 0.4061919 1.0256417), wk = 0.0030211 k( 237) = ( 0.1346154 0.3900332 1.0430254), wk = 0.0030211 k( 238) = ( 0.1410256 0.3738745 1.0604092), wk = 0.0030211 k( 239) = ( 0.1474359 0.3577158 1.0777929), wk = 0.0030211 k( 240) = ( 0.1538461 0.3415571 1.0951767), wk = 0.0030211 k( 241) = ( 0.1602564 0.3253984 1.1125604), wk = 0.0030211 k( 242) = ( 0.1666667 0.3092396 1.1299442), wk = 0.0030211 k( 243) = ( 0.1730769 0.2930810 1.1473279), wk = 0.0030211 k( 244) = ( 0.1794872 0.2769223 1.1647117), wk = 0.0030211 k( 245) = ( 0.1858974 0.2607635 1.1820955), wk = 0.0030211 k( 246) = ( 0.1923077 0.2446049 1.1994792), wk = 0.0030211 k( 247) = ( 0.1987180 0.2284461 1.2168630), wk = 0.0030211 k( 248) = ( 0.2051282 0.2122874 1.2342467), wk = 0.0030211 k( 249) = ( 0.2115385 0.1961288 1.2516305), wk = 0.0030211 k( 250) = ( 0.2179487 0.1799700 1.2690143), wk = 0.0030211 k( 251) = ( 0.2243590 0.1638114 1.2863980), wk = 0.0030211 k( 252) = ( 0.2307692 0.1476526 1.3037818), wk = 0.0030211 k( 253) = ( 0.2371795 0.1314939 1.3211655), wk = 0.0030211 k( 254) = ( 0.2435897 0.1153353 1.3385493), wk = 0.0030211 k( 255) = ( 0.2500000 0.0991765 1.3559330), wk = 0.0030211 k( 256) = ( 0.2500000 0.0991765 1.3559330), wk = 0.0030211 k( 257) = ( 0.2708333 0.1074413 1.3470417), wk = 0.0030211 k( 258) = ( 0.2916667 0.1157060 1.3381505), wk = 0.0030211 k( 259) = ( 0.3125000 0.1239707 1.3292591), wk = 0.0030211 k( 260) = ( 0.3333333 0.1322354 1.3203679), wk = 0.0030211 k( 261) = ( 0.3541667 0.1405001 1.3114766), wk = 0.0030211 k( 262) = ( 0.3750000 0.1487648 1.3025853), wk = 0.0030211 k( 263) = ( 0.3958333 0.1570295 1.2936940), wk = 0.0030211 k( 264) = ( 0.4166667 0.1652942 1.2848027), wk = 0.0030211 k( 265) = ( 0.4375000 0.1735590 1.2759114), wk = 0.0030211 k( 266) = ( 0.4583333 0.1818237 1.2670201), wk = 0.0030211 k( 267) = ( 0.4791667 0.1900884 1.2581288), wk = 0.0030211 k( 268) = ( 0.5000000 0.1983531 1.2492375), wk = 0.0030211 k( 269) = ( 0.5000000 0.1983531 1.2492375), wk = 0.0030211 k( 270) = ( 0.5000000 0.1983531 1.2242528), wk = 0.0030211 k( 271) = ( 0.5000000 0.1983531 1.1992680), wk = 0.0030211 k( 272) = ( 0.5000000 0.1983531 1.1742833), wk = 0.0030211 k( 273) = ( 0.5000000 0.1983531 1.1492985), wk = 0.0030211 k( 274) = ( 0.5000000 0.1983531 1.1243138), wk = 0.0030211 k( 275) = ( 0.5000000 0.1983531 1.0993290), wk = 0.0030211 k( 276) = ( 0.5000000 0.1983531 1.0743443), wk = 0.0030211 k( 277) = ( 0.5000000 0.1983531 1.0493595), wk = 0.0030211 k( 278) = ( 0.5000000 0.1983531 1.0243748), wk = 0.0030211 k( 279) = ( 0.5000000 0.1983531 0.9993900), wk = 0.0030211 k( 280) = ( 0.5000000 0.1983531 0.9744053), wk = 0.0030211 k( 281) = ( 0.5000000 0.1983531 0.9494205), wk = 0.0030211 k( 282) = ( 0.5000000 0.1983531 0.9244358), wk = 0.0030211 k( 283) = ( 0.5000000 0.1983531 0.8994510), wk = 0.0030211 k( 284) = ( 0.5000000 0.1983531 0.8744663), wk = 0.0030211 k( 285) = ( 0.5000000 0.1983531 0.8494815), wk = 0.0030211 k( 286) = ( 0.5000000 0.1983531 0.8244967), wk = 0.0030211 k( 287) = ( 0.5000000 0.1983531 0.7995120), wk = 0.0030211 k( 288) = ( 0.5000000 0.1983531 0.7745273), wk = 0.0030211 k( 289) = ( 0.5000000 0.1983531 0.7495425), wk = 0.0030211 k( 290) = ( 0.5000000 0.1983531 0.7245578), wk = 0.0030211 k( 291) = ( 0.5000000 0.1983531 0.6995730), wk = 0.0030211 k( 292) = ( 0.5000000 0.1983531 0.6745883), wk = 0.0030211 k( 293) = ( 0.5000000 0.1983531 0.6496035), wk = 0.0030211 k( 294) = ( 0.5000000 0.1983531 0.6246188), wk = 0.0030211 k( 295) = ( 0.5000000 0.1983531 0.5996340), wk = 0.0030211 k( 296) = ( 0.5000000 0.1983531 0.5746492), wk = 0.0030211 k( 297) = ( 0.5000000 0.1983531 0.5496645), wk = 0.0030211 k( 298) = ( 0.5000000 0.1983531 0.5246798), wk = 0.0030211 k( 299) = ( 0.5000000 0.1983531 0.4996950), wk = 0.0030211 k( 300) = ( 0.5000000 0.1983531 0.4747103), wk = 0.0030211 k( 301) = ( 0.5000000 0.1983531 0.4497255), wk = 0.0030211 k( 302) = ( 0.5000000 0.1983531 0.4247408), wk = 0.0030211 k( 303) = ( 0.5000000 0.1983531 0.3997560), wk = 0.0030211 k( 304) = ( 0.5000000 0.1983531 0.3747713), wk = 0.0030211 k( 305) = ( 0.5000000 0.1983531 0.3497865), wk = 0.0030211 k( 306) = ( 0.5000000 0.1983531 0.3248017), wk = 0.0030211 k( 307) = ( 0.5000000 0.1983531 0.2998170), wk = 0.0030211 k( 308) = ( 0.5000000 0.1983531 0.2748322), wk = 0.0030211 k( 309) = ( 0.5000000 0.1983531 0.2498475), wk = 0.0030211 k( 310) = ( 0.5000000 0.1983531 0.2248628), wk = 0.0030211 k( 311) = ( 0.5000000 0.1983531 0.1998780), wk = 0.0030211 k( 312) = ( 0.5000000 0.1983531 0.1748933), wk = 0.0030211 k( 313) = ( 0.5000000 0.1983531 0.1499085), wk = 0.0030211 k( 314) = ( 0.5000000 0.1983531 0.1249238), wk = 0.0030211 k( 315) = ( 0.5000000 0.1983531 0.0999390), wk = 0.0030211 k( 316) = ( 0.5000000 0.1983531 0.0749542), wk = 0.0030211 k( 317) = ( 0.5000000 0.1983531 0.0499695), wk = 0.0030211 k( 318) = ( 0.5000000 0.1983531 0.0249847), wk = 0.0030211 k( 319) = ( 0.5000000 0.1983531 0.0000000), wk = 0.0030211 k( 320) = ( 0.0000000 0.0000000 1.3559330), wk = 0.0030211 k( 321) = ( 0.0227273 0.0090160 1.3559330), wk = 0.0030211 k( 322) = ( 0.0454546 0.0180321 1.3559330), wk = 0.0030211 k( 323) = ( 0.0681818 0.0270481 1.3559330), wk = 0.0030211 k( 324) = ( 0.0909091 0.0360642 1.3559330), wk = 0.0030211 k( 325) = ( 0.1136364 0.0450802 1.3559330), wk = 0.0030211 k( 326) = ( 0.1363636 0.0540963 1.3559330), wk = 0.0030211 k( 327) = ( 0.1590909 0.0631123 1.3559330), wk = 0.0030211 k( 328) = ( 0.1818182 0.0721284 1.3559330), wk = 0.0030211 k( 329) = ( 0.2045454 0.0811444 1.3559330), wk = 0.0030211 k( 330) = ( 0.2272727 0.0901605 1.3559330), wk = 0.0030211 k( 331) = ( 0.2500000 0.0991765 1.3559330), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0030211 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0030211 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0030211 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0030211 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0030211 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0030211 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0030211 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0030211 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0030211 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0030211 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030211 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0030211 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0030211 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0030211 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0030211 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0030211 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0030211 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0030211 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0030211 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0030211 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0030211 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030211 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0030211 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0030211 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0030211 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0030211 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0030211 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0030211 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0030211 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0030211 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0030211 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0030211 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030211 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0030211 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0030211 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0030211 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0030211 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0030211 k( 40) = ( 0.0000000 0.0000000 0.3545455), wk = 0.0030211 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0030211 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0030211 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0030211 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0030211 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030211 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0030211 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0030211 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0030211 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0030211 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0030211 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0030211 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0030211 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0030211 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0030211 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0030211 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 58) = ( -0.0078688 0.0078688 0.5000000), wk = 0.0030211 k( 59) = ( -0.0157376 0.0157376 0.5000000), wk = 0.0030211 k( 60) = ( -0.0236064 0.0236064 0.5000000), wk = 0.0030211 k( 61) = ( -0.0314752 0.0314752 0.5000000), wk = 0.0030211 k( 62) = ( -0.0393440 0.0393440 0.5000000), wk = 0.0030211 k( 63) = ( -0.0393440 0.0393440 0.5000000), wk = 0.0030211 k( 64) = ( -0.0457420 0.0457419 0.4936020), wk = 0.0030211 k( 65) = ( -0.0521399 0.0521399 0.4872040), wk = 0.0030211 k( 66) = ( -0.0585379 0.0585380 0.4808060), wk = 0.0030211 k( 67) = ( -0.0649360 0.0649360 0.4744080), wk = 0.0030211 k( 68) = ( -0.0713339 0.0713339 0.4680100), wk = 0.0030211 k( 69) = ( -0.0777319 0.0777320 0.4616120), wk = 0.0030211 k( 70) = ( -0.0841299 0.0841300 0.4552140), wk = 0.0030211 k( 71) = ( -0.0905279 0.0905279 0.4488160), wk = 0.0030211 k( 72) = ( -0.0969259 0.0969259 0.4424180), wk = 0.0030211 k( 73) = ( -0.1033239 0.1033240 0.4360200), wk = 0.0030211 k( 74) = ( -0.1097220 0.1097220 0.4296220), wk = 0.0030211 k( 75) = ( -0.1161200 0.1161200 0.4232240), wk = 0.0030211 k( 76) = ( -0.1225180 0.1225180 0.4168260), wk = 0.0030211 k( 77) = ( -0.1289160 0.1289160 0.4104280), wk = 0.0030211 k( 78) = ( -0.1353140 0.1353140 0.4040300), wk = 0.0030211 k( 79) = ( -0.1417120 0.1417120 0.3976320), wk = 0.0030211 k( 80) = ( -0.1481100 0.1481100 0.3912340), wk = 0.0030211 k( 81) = ( -0.1545080 0.1545080 0.3848360), wk = 0.0030211 k( 82) = ( -0.1609060 0.1609060 0.3784380), wk = 0.0030211 k( 83) = ( -0.1673040 0.1673040 0.3720400), wk = 0.0030211 k( 84) = ( -0.1737020 0.1737020 0.3656420), wk = 0.0030211 k( 85) = ( -0.1801000 0.1801000 0.3592440), wk = 0.0030211 k( 86) = ( -0.1864980 0.1864980 0.3528460), wk = 0.0030211 k( 87) = ( -0.1928960 0.1928960 0.3464480), wk = 0.0030211 k( 88) = ( -0.1992940 0.1992940 0.3400500), wk = 0.0030211 k( 89) = ( -0.2056920 0.2056920 0.3336520), wk = 0.0030211 k( 90) = ( -0.2120900 0.2120900 0.3272540), wk = 0.0030211 k( 91) = ( -0.2184880 0.2184880 0.3208560), wk = 0.0030211 k( 92) = ( -0.2248860 0.2248860 0.3144580), wk = 0.0030211 k( 93) = ( -0.2312840 0.2312840 0.3080600), wk = 0.0030211 k( 94) = ( -0.2376820 0.2376820 0.3016620), wk = 0.0030211 k( 95) = ( -0.2440800 0.2440800 0.2952640), wk = 0.0030211 k( 96) = ( -0.2504780 0.2504780 0.2888660), wk = 0.0030211 k( 97) = ( -0.2568760 0.2568760 0.2824680), wk = 0.0030211 k( 98) = ( -0.2632740 0.2632740 0.2760700), wk = 0.0030211 k( 99) = ( -0.2696720 0.2696720 0.2696720), wk = 0.0030211 k( 100) = ( -0.2696720 0.2696720 0.2696720), wk = 0.0030211 k( 101) = ( -0.2632512 0.2632512 0.2632512), wk = 0.0030211 k( 102) = ( -0.2568304 0.2568304 0.2568304), wk = 0.0030211 k( 103) = ( -0.2504097 0.2504097 0.2504097), wk = 0.0030211 k( 104) = ( -0.2439889 0.2439889 0.2439889), wk = 0.0030211 k( 105) = ( -0.2375682 0.2375682 0.2375682), wk = 0.0030211 k( 106) = ( -0.2311474 0.2311474 0.2311474), wk = 0.0030211 k( 107) = ( -0.2247266 0.2247266 0.2247266), wk = 0.0030211 k( 108) = ( -0.2183059 0.2183059 0.2183059), wk = 0.0030211 k( 109) = ( -0.2118851 0.2118851 0.2118851), wk = 0.0030211 k( 110) = ( -0.2054644 0.2054644 0.2054644), wk = 0.0030211 k( 111) = ( -0.1990436 0.1990436 0.1990436), wk = 0.0030211 k( 112) = ( -0.1926228 0.1926228 0.1926228), wk = 0.0030211 k( 113) = ( -0.1862021 0.1862021 0.1862021), wk = 0.0030211 k( 114) = ( -0.1797813 0.1797813 0.1797813), wk = 0.0030211 k( 115) = ( -0.1733606 0.1733605 0.1733606), wk = 0.0030211 k( 116) = ( -0.1669398 0.1669398 0.1669398), wk = 0.0030211 k( 117) = ( -0.1605190 0.1605190 0.1605190), wk = 0.0030211 k( 118) = ( -0.1540983 0.1540983 0.1540983), wk = 0.0030211 k( 119) = ( -0.1476775 0.1476775 0.1476775), wk = 0.0030211 k( 120) = ( -0.1412567 0.1412567 0.1412567), wk = 0.0030211 k( 121) = ( -0.1348360 0.1348360 0.1348360), wk = 0.0030211 k( 122) = ( -0.1284152 0.1284152 0.1284152), wk = 0.0030211 k( 123) = ( -0.1219945 0.1219945 0.1219945), wk = 0.0030211 k( 124) = ( -0.1155737 0.1155737 0.1155737), wk = 0.0030211 k( 125) = ( -0.1091529 0.1091529 0.1091529), wk = 0.0030211 k( 126) = ( -0.1027322 0.1027322 0.1027322), wk = 0.0030211 k( 127) = ( -0.0963114 0.0963114 0.0963114), wk = 0.0030211 k( 128) = ( -0.0898907 0.0898907 0.0898907), wk = 0.0030211 k( 129) = ( -0.0834699 0.0834699 0.0834699), wk = 0.0030211 k( 130) = ( -0.0770491 0.0770491 0.0770491), wk = 0.0030211 k( 131) = ( -0.0706284 0.0706284 0.0706284), wk = 0.0030211 k( 132) = ( -0.0642076 0.0642076 0.0642076), wk = 0.0030211 k( 133) = ( -0.0577869 0.0577869 0.0577869), wk = 0.0030211 k( 134) = ( -0.0513661 0.0513661 0.0513661), wk = 0.0030211 k( 135) = ( -0.0449453 0.0449453 0.0449453), wk = 0.0030211 k( 136) = ( -0.0385246 0.0385246 0.0385246), wk = 0.0030211 k( 137) = ( -0.0321038 0.0321038 0.0321038), wk = 0.0030211 k( 138) = ( -0.0256830 0.0256830 0.0256831), wk = 0.0030211 k( 139) = ( -0.0192623 0.0192623 0.0192623), wk = 0.0030211 k( 140) = ( -0.0128415 0.0128415 0.0128415), wk = 0.0030211 k( 141) = ( -0.0064208 0.0064208 0.0064208), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 144) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0030211 k( 145) = ( 0.0454546 0.0454545 -0.0454545), wk = 0.0030211 k( 146) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0030211 k( 147) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0030211 k( 148) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0030211 k( 149) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0030211 k( 150) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0030211 k( 151) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0030211 k( 152) = ( 0.2045454 0.2045454 -0.2045455), wk = 0.0030211 k( 153) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0030211 k( 154) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030211 k( 155) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0030211 k( 156) = ( 0.2954545 0.2954545 -0.2954546), wk = 0.0030211 k( 157) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0030211 k( 158) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0030211 k( 159) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0030211 k( 160) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0030211 k( 161) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0030211 k( 162) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0030211 k( 163) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0030211 k( 164) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0030211 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030211 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030211 k( 167) = ( 0.4936020 0.5063980 -0.4936020), wk = 0.0030211 k( 168) = ( 0.4872040 0.5127960 -0.4872040), wk = 0.0030211 k( 169) = ( 0.4808060 0.5191940 -0.4808060), wk = 0.0030211 k( 170) = ( 0.4744080 0.5255920 -0.4744080), wk = 0.0030211 k( 171) = ( 0.4680100 0.5319900 -0.4680100), wk = 0.0030211 k( 172) = ( 0.4616120 0.5383880 -0.4616120), wk = 0.0030211 k( 173) = ( 0.4552140 0.5447860 -0.4552140), wk = 0.0030211 k( 174) = ( 0.4488160 0.5511840 -0.4488160), wk = 0.0030211 k( 175) = ( 0.4424180 0.5575820 -0.4424180), wk = 0.0030211 k( 176) = ( 0.4360200 0.5639800 -0.4360200), wk = 0.0030211 k( 177) = ( 0.4296220 0.5703780 -0.4296220), wk = 0.0030211 k( 178) = ( 0.4232240 0.5767760 -0.4232240), wk = 0.0030211 k( 179) = ( 0.4168260 0.5831740 -0.4168260), wk = 0.0030211 k( 180) = ( 0.4104280 0.5895720 -0.4104280), wk = 0.0030211 k( 181) = ( 0.4040300 0.5959700 -0.4040300), wk = 0.0030211 k( 182) = ( 0.3976320 0.6023680 -0.3976320), wk = 0.0030211 k( 183) = ( 0.3912340 0.6087660 -0.3912340), wk = 0.0030211 k( 184) = ( 0.3848360 0.6151640 -0.3848360), wk = 0.0030211 k( 185) = ( 0.3784380 0.6215620 -0.3784380), wk = 0.0030211 k( 186) = ( 0.3720400 0.6279600 -0.3720400), wk = 0.0030211 k( 187) = ( 0.3656420 0.6343580 -0.3656420), wk = 0.0030211 k( 188) = ( 0.3592440 0.6407560 -0.3592440), wk = 0.0030211 k( 189) = ( 0.3528460 0.6471540 -0.3528460), wk = 0.0030211 k( 190) = ( 0.3464480 0.6535520 -0.3464480), wk = 0.0030211 k( 191) = ( 0.3400500 0.6599500 -0.3400500), wk = 0.0030211 k( 192) = ( 0.3336520 0.6663480 -0.3336520), wk = 0.0030211 k( 193) = ( 0.3272540 0.6727460 -0.3272540), wk = 0.0030211 k( 194) = ( 0.3208560 0.6791440 -0.3208560), wk = 0.0030211 k( 195) = ( 0.3144580 0.6855420 -0.3144580), wk = 0.0030211 k( 196) = ( 0.3080600 0.6919400 -0.3080600), wk = 0.0030211 k( 197) = ( 0.3016620 0.6983380 -0.3016620), wk = 0.0030211 k( 198) = ( 0.2952640 0.7047360 -0.2952640), wk = 0.0030211 k( 199) = ( 0.2888660 0.7111340 -0.2888660), wk = 0.0030211 k( 200) = ( 0.2824680 0.7175320 -0.2824680), wk = 0.0030211 k( 201) = ( 0.2760700 0.7239300 -0.2760700), wk = 0.0030211 k( 202) = ( 0.2696720 0.7303280 -0.2696720), wk = 0.0030211 k( 203) = ( 0.2696720 0.7303280 -0.2696720), wk = 0.0030211 k( 204) = ( 0.2471993 0.7111340 -0.2471993), wk = 0.0030211 k( 205) = ( 0.2247266 0.6919400 -0.2247266), wk = 0.0030211 k( 206) = ( 0.2022540 0.6727460 -0.2022540), wk = 0.0030211 k( 207) = ( 0.1797813 0.6535520 -0.1797813), wk = 0.0030211 k( 208) = ( 0.1573086 0.6343580 -0.1573086), wk = 0.0030211 k( 209) = ( 0.1348360 0.6151640 -0.1348360), wk = 0.0030211 k( 210) = ( 0.1123633 0.5959700 -0.1123633), wk = 0.0030211 k( 211) = ( 0.0898907 0.5767760 -0.0898907), wk = 0.0030211 k( 212) = ( 0.0674180 0.5575820 -0.0674180), wk = 0.0030211 k( 213) = ( 0.0449453 0.5383880 -0.0449453), wk = 0.0030211 k( 214) = ( 0.0224727 0.5191940 -0.0224727), wk = 0.0030211 k( 215) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 216) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 217) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0030211 k( 218) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0030211 k( 219) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0030211 k( 220) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0030211 k( 221) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0030211 k( 222) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0030211 k( 223) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0030211 k( 224) = ( 0.0512821 0.4487180 0.0512820), wk = 0.0030211 k( 225) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0030211 k( 226) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0030211 k( 227) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0030211 k( 228) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0030211 k( 229) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030211 k( 230) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0030211 k( 231) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0030211 k( 232) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0030211 k( 233) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0030211 k( 234) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0030211 k( 235) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0030211 k( 236) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0030211 k( 237) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0030211 k( 238) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0030211 k( 239) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0030211 k( 240) = ( 0.1538461 0.3461539 0.1538462), wk = 0.0030211 k( 241) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0030211 k( 242) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030211 k( 243) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0030211 k( 244) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0030211 k( 245) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0030211 k( 246) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0030211 k( 247) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0030211 k( 248) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0030211 k( 249) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0030211 k( 250) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0030211 k( 251) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0030211 k( 252) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0030211 k( 253) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0030211 k( 254) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0030211 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 257) = ( 0.2708333 0.2708333 0.2258880), wk = 0.0030211 k( 258) = ( 0.2916667 0.2916667 0.2017760), wk = 0.0030211 k( 259) = ( 0.3125000 0.3125000 0.1776640), wk = 0.0030211 k( 260) = ( 0.3333333 0.3333333 0.1535520), wk = 0.0030211 k( 261) = ( 0.3541667 0.3541667 0.1294400), wk = 0.0030211 k( 262) = ( 0.3750000 0.3750000 0.1053280), wk = 0.0030211 k( 263) = ( 0.3958333 0.3958333 0.0812160), wk = 0.0030211 k( 264) = ( 0.4166667 0.4166667 0.0571040), wk = 0.0030211 k( 265) = ( 0.4375000 0.4375000 0.0329920), wk = 0.0030211 k( 266) = ( 0.4583333 0.4583333 0.0088800), wk = 0.0030211 k( 267) = ( 0.4791667 0.4791667 -0.0152320), wk = 0.0030211 k( 268) = ( 0.5000000 0.5000000 -0.0393439), wk = 0.0030211 k( 269) = ( 0.5000000 0.5000000 -0.0393439), wk = 0.0030211 k( 270) = ( 0.5000000 0.5000000 -0.0485571), wk = 0.0030211 k( 271) = ( 0.5000000 0.5000000 -0.0577702), wk = 0.0030211 k( 272) = ( 0.5000000 0.5000000 -0.0669833), wk = 0.0030211 k( 273) = ( 0.5000000 0.5000000 -0.0761964), wk = 0.0030211 k( 274) = ( 0.5000000 0.5000000 -0.0854095), wk = 0.0030211 k( 275) = ( 0.5000000 0.5000000 -0.0946227), wk = 0.0030211 k( 276) = ( 0.5000000 0.5000000 -0.1038358), wk = 0.0030211 k( 277) = ( 0.5000000 0.5000000 -0.1130489), wk = 0.0030211 k( 278) = ( 0.5000000 0.5000000 -0.1222620), wk = 0.0030211 k( 279) = ( 0.5000000 0.5000000 -0.1314752), wk = 0.0030211 k( 280) = ( 0.5000000 0.5000000 -0.1406883), wk = 0.0030211 k( 281) = ( 0.5000000 0.5000000 -0.1499014), wk = 0.0030211 k( 282) = ( 0.5000000 0.5000000 -0.1591145), wk = 0.0030211 k( 283) = ( 0.5000000 0.5000000 -0.1683276), wk = 0.0030211 k( 284) = ( 0.5000000 0.5000000 -0.1775408), wk = 0.0030211 k( 285) = ( 0.5000000 0.5000000 -0.1867539), wk = 0.0030211 k( 286) = ( 0.5000000 0.5000000 -0.1959670), wk = 0.0030211 k( 287) = ( 0.5000000 0.5000000 -0.2051801), wk = 0.0030211 k( 288) = ( 0.5000000 0.5000000 -0.2143932), wk = 0.0030211 k( 289) = ( 0.5000000 0.5000000 -0.2236064), wk = 0.0030211 k( 290) = ( 0.5000000 0.5000000 -0.2328195), wk = 0.0030211 k( 291) = ( 0.5000000 0.5000000 -0.2420326), wk = 0.0030211 k( 292) = ( 0.5000000 0.5000000 -0.2512457), wk = 0.0030211 k( 293) = ( 0.5000000 0.5000000 -0.2604589), wk = 0.0030211 k( 294) = ( 0.5000000 0.5000000 -0.2696720), wk = 0.0030211 k( 295) = ( 0.5000000 0.5000000 -0.2788851), wk = 0.0030211 k( 296) = ( 0.5000000 0.5000000 -0.2880982), wk = 0.0030211 k( 297) = ( 0.5000000 0.5000000 -0.2973113), wk = 0.0030211 k( 298) = ( 0.5000000 0.5000000 -0.3065245), wk = 0.0030211 k( 299) = ( 0.5000000 0.5000000 -0.3157376), wk = 0.0030211 k( 300) = ( 0.5000000 0.5000000 -0.3249507), wk = 0.0030211 k( 301) = ( 0.5000000 0.5000000 -0.3341638), wk = 0.0030211 k( 302) = ( 0.5000000 0.5000000 -0.3433769), wk = 0.0030211 k( 303) = ( 0.5000000 0.5000000 -0.3525901), wk = 0.0030211 k( 304) = ( 0.5000000 0.5000000 -0.3618032), wk = 0.0030211 k( 305) = ( 0.5000000 0.5000000 -0.3710163), wk = 0.0030211 k( 306) = ( 0.5000000 0.5000000 -0.3802294), wk = 0.0030211 k( 307) = ( 0.5000000 0.5000000 -0.3894425), wk = 0.0030211 k( 308) = ( 0.5000000 0.5000000 -0.3986557), wk = 0.0030211 k( 309) = ( 0.5000000 0.5000000 -0.4078688), wk = 0.0030211 k( 310) = ( 0.5000000 0.5000000 -0.4170819), wk = 0.0030211 k( 311) = ( 0.5000000 0.5000000 -0.4262950), wk = 0.0030211 k( 312) = ( 0.5000000 0.5000000 -0.4355081), wk = 0.0030211 k( 313) = ( 0.5000000 0.5000000 -0.4447213), wk = 0.0030211 k( 314) = ( 0.5000000 0.5000000 -0.4539344), wk = 0.0030211 k( 315) = ( 0.5000000 0.5000000 -0.4631475), wk = 0.0030211 k( 316) = ( 0.5000000 0.5000000 -0.4723606), wk = 0.0030211 k( 317) = ( 0.5000000 0.5000000 -0.4815738), wk = 0.0030211 k( 318) = ( 0.5000000 0.5000000 -0.4907869), wk = 0.0030211 k( 319) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030211 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 321) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0030211 k( 322) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0030211 k( 323) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0030211 k( 324) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0030211 k( 325) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0030211 k( 326) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0030211 k( 327) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0030211 k( 328) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0030211 k( 329) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0030211 k( 330) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0030211 k( 331) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 Dense grid: 82007 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 61673 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 436, 62) NL pseudopotentials 0.46 Mb ( 218, 138) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2279) G-vector shells 0.01 Mb ( 1035) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.65 Mb ( 436, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.26 Mb ( 138, 2, 62) The potential is recalculated from file : ./Na2Fe2Se2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.3 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.8 secs Computing kpt #: 12 total cpu time spent up to now is 19.1 secs Computing kpt #: 13 total cpu time spent up to now is 20.4 secs Computing kpt #: 14 total cpu time spent up to now is 21.7 secs Computing kpt #: 15 total cpu time spent up to now is 23.0 secs Computing kpt #: 16 total cpu time spent up to now is 24.4 secs Computing kpt #: 17 total cpu time spent up to now is 25.7 secs Computing kpt #: 18 total cpu time spent up to now is 27.1 secs Computing kpt #: 19 total cpu time spent up to now is 28.4 secs Computing kpt #: 20 total cpu time spent up to now is 29.7 secs Computing kpt #: 21 total cpu time spent up to now is 31.1 secs Computing kpt #: 22 total cpu time spent up to now is 32.4 secs Computing kpt #: 23 total cpu time spent up to now is 33.8 secs Computing kpt #: 24 total cpu time spent up to now is 35.2 secs Computing kpt #: 25 total cpu time spent up to now is 36.6 secs Computing kpt #: 26 total cpu time spent up to now is 38.0 secs Computing kpt #: 27 total cpu time spent up to now is 39.4 secs Computing kpt #: 28 total cpu time spent up to now is 40.7 secs Computing kpt #: 29 total cpu time spent up to now is 42.1 secs Computing kpt #: 30 total cpu time spent up to now is 43.5 secs Computing kpt #: 31 total cpu time spent up to now is 44.9 secs Computing kpt #: 32 total cpu time spent up to now is 46.3 secs Computing kpt #: 33 total cpu time spent up to now is 47.7 secs Computing kpt #: 34 total cpu time spent up to now is 49.2 secs Computing kpt #: 35 total cpu time spent up to now is 50.6 secs Computing kpt #: 36 total cpu time spent up to now is 52.1 secs Computing kpt #: 37 total cpu time spent up to now is 53.5 secs Computing kpt #: 38 total cpu time spent up to now is 55.0 secs Computing kpt #: 39 total cpu time spent up to now is 56.7 secs Computing kpt #: 40 total cpu time spent up to now is 58.5 secs Computing kpt #: 41 total cpu time spent up to now is 60.2 secs Computing kpt #: 42 total cpu time spent up to now is 61.7 secs Computing kpt #: 43 total cpu time spent up to now is 63.5 secs Computing kpt #: 44 total cpu time spent up to now is 65.0 secs Computing kpt #: 45 total cpu time spent up to now is 66.4 secs Computing kpt #: 46 total cpu time spent up to now is 67.9 secs Computing kpt #: 47 total cpu time spent up to now is 69.3 secs Computing kpt #: 48 total cpu time spent up to now is 70.7 secs Computing kpt #: 49 total cpu time spent up to now is 72.2 secs Computing kpt #: 50 total cpu time spent up to now is 73.6 secs Computing kpt #: 51 total cpu time spent up to now is 75.0 secs Computing kpt #: 52 total cpu time spent up to now is 76.4 secs Computing kpt #: 53 total cpu time spent up to now is 77.8 secs Computing kpt #: 54 total cpu time spent up to now is 79.2 secs Computing kpt #: 55 total cpu time spent up to now is 80.5 secs Computing kpt #: 56 total cpu time spent up to now is 81.9 secs Computing kpt #: 57 total cpu time spent up to now is 83.3 secs Computing kpt #: 58 total cpu time spent up to now is 84.6 secs Computing kpt #: 59 total cpu time spent up to now is 86.0 secs Computing kpt #: 60 total cpu time spent up to now is 87.4 secs Computing kpt #: 61 total cpu time spent up to now is 88.7 secs Computing kpt #: 62 total cpu time spent up to now is 90.1 secs Computing kpt #: 63 total cpu time spent up to now is 91.5 secs Computing kpt #: 64 total cpu time spent up to now is 92.8 secs Computing kpt #: 65 total cpu time spent up to now is 94.2 secs Computing kpt #: 66 total cpu time spent up to now is 95.6 secs Computing kpt #: 67 total cpu time spent up to now is 97.0 secs Computing kpt #: 68 total cpu time spent up to now is 98.4 secs Computing kpt #: 69 total cpu time spent up to now is 99.9 secs Computing kpt #: 70 total cpu time spent up to now is 101.3 secs Computing kpt #: 71 total cpu time spent up to now is 102.8 secs Computing kpt #: 72 total cpu time spent up to now is 104.3 secs Computing kpt #: 73 total cpu time spent up to now is 105.8 secs Computing kpt #: 74 total cpu time spent up to now is 107.6 secs Computing kpt #: 75 total cpu time spent up to now is 109.1 secs Computing kpt #: 76 total cpu time spent up to now is 110.6 secs Computing kpt #: 77 total cpu time spent up to now is 112.0 secs Computing kpt #: 78 total cpu time spent up to now is 113.5 secs Computing kpt #: 79 total cpu time spent up to now is 114.9 secs Computing kpt #: 80 total cpu time spent up to now is 116.3 secs Computing kpt #: 81 total cpu time spent up to now is 117.7 secs Computing kpt #: 82 total cpu time spent up to now is 119.1 secs Computing kpt #: 83 total cpu time spent up to now is 120.5 secs Computing kpt #: 84 total cpu time spent up to now is 121.9 secs Computing kpt #: 85 total cpu time spent up to now is 123.2 secs Computing kpt #: 86 total cpu time spent up to now is 124.6 secs Computing kpt #: 87 total cpu time spent up to now is 125.9 secs Computing kpt #: 88 total cpu time spent up to now is 127.3 secs Computing kpt #: 89 total cpu time spent up to now is 128.6 secs Computing kpt #: 90 total cpu time spent up to now is 130.0 secs Computing kpt #: 91 total cpu time spent up to now is 131.3 secs Computing kpt #: 92 total cpu time spent up to now is 132.7 secs Computing kpt #: 93 total cpu time spent up to now is 134.0 secs Computing kpt #: 94 total cpu time spent up to now is 135.3 secs Computing kpt #: 95 total cpu time spent up to now is 136.7 secs Computing kpt #: 96 total cpu time spent up to now is 138.0 secs Computing kpt #: 97 total cpu time spent up to now is 139.4 secs Computing kpt #: 98 total cpu time spent up to now is 140.7 secs Computing kpt #: 99 total cpu time spent up to now is 142.1 secs Computing kpt #: 100 total cpu time spent up to now is 143.4 secs Computing kpt #: 101 total cpu time spent up to now is 144.7 secs Computing kpt #: 102 total cpu time spent up to now is 146.1 secs Computing kpt #: 103 total cpu time spent up to now is 147.4 secs Computing kpt #: 104 total cpu time spent up to now is 148.7 secs Computing kpt #: 105 total cpu time spent up to now is 150.1 secs Computing kpt #: 106 total cpu time spent up to now is 151.4 secs Computing kpt #: 107 total cpu time spent up to now is 152.7 secs Computing kpt #: 108 total cpu time spent up to now is 154.0 secs Computing kpt #: 109 total cpu time spent up to now is 155.4 secs Computing kpt #: 110 total cpu time spent up to now is 156.7 secs Computing kpt #: 111 total cpu time spent up to now is 158.1 secs Computing kpt #: 112 total cpu time spent up to now is 159.5 secs Computing kpt #: 113 total cpu time spent up to now is 160.9 secs Computing kpt #: 114 total cpu time spent up to now is 162.3 secs Computing kpt #: 115 total cpu time spent up to now is 163.7 secs Computing kpt #: 116 total cpu time spent up to now is 165.1 secs Computing kpt #: 117 total cpu time spent up to now is 166.5 secs Computing kpt #: 118 total cpu time spent up to now is 167.9 secs Computing kpt #: 119 total cpu time spent up to now is 169.3 secs Computing kpt #: 120 total cpu time spent up to now is 170.7 secs Computing kpt #: 121 total cpu time spent up to now is 172.0 secs Computing kpt #: 122 total cpu time spent up to now is 173.4 secs Computing kpt #: 123 total cpu time spent up to now is 174.7 secs Computing kpt #: 124 total cpu time spent up to now is 176.1 secs Computing kpt #: 125 total cpu time spent up to now is 177.6 secs Computing kpt #: 126 total cpu time spent up to now is 178.9 secs Computing kpt #: 127 total cpu time spent up to now is 180.2 secs Computing kpt #: 128 total cpu time spent up to now is 181.6 secs Computing kpt #: 129 total cpu time spent up to now is 182.9 secs Computing kpt #: 130 total cpu time spent up to now is 184.2 secs Computing kpt #: 131 total cpu time spent up to now is 185.5 secs Computing kpt #: 132 total cpu time spent up to now is 186.8 secs Computing kpt #: 133 total cpu time spent up to now is 188.2 secs Computing kpt #: 134 total cpu time spent up to now is 189.5 secs Computing kpt #: 135 total cpu time spent up to now is 190.8 secs Computing kpt #: 136 total cpu time spent up to now is 192.1 secs Computing kpt #: 137 total cpu time spent up to now is 193.4 secs Computing kpt #: 138 total cpu time spent up to now is 194.7 secs Computing kpt #: 139 total cpu time spent up to now is 196.0 secs Computing kpt #: 140 total cpu time spent up to now is 197.3 secs Computing kpt #: 141 total cpu time spent up to now is 198.5 secs Computing kpt #: 142 total cpu time spent up to now is 199.8 secs Computing kpt #: 143 total cpu time spent up to now is 201.0 secs Computing kpt #: 144 total cpu time spent up to now is 202.3 secs Computing kpt #: 145 total cpu time spent up to now is 203.6 secs Computing kpt #: 146 total cpu time spent up to now is 204.8 secs Computing kpt #: 147 total cpu time spent up to now is 206.1 secs Computing kpt #: 148 total cpu time spent up to now is 207.4 secs Computing kpt #: 149 total cpu time spent up to now is 208.8 secs Computing kpt #: 150 total cpu time spent up to now is 210.1 secs Computing kpt #: 151 total cpu time spent up to now is 211.4 secs Computing kpt #: 152 total cpu time spent up to now is 212.7 secs Computing kpt #: 153 total cpu time spent up to now is 214.1 secs Computing kpt #: 154 total cpu time spent up to now is 215.5 secs Computing kpt #: 155 total cpu time spent up to now is 216.8 secs Computing kpt #: 156 total cpu time spent up to now is 218.2 secs Computing kpt #: 157 total cpu time spent up to now is 219.6 secs Computing kpt #: 158 total cpu time spent up to now is 221.0 secs Computing kpt #: 159 total cpu time spent up to now is 222.4 secs Computing kpt #: 160 total cpu time spent up to now is 223.8 secs Computing kpt #: 161 total cpu time spent up to now is 225.3 secs Computing kpt #: 162 total cpu time spent up to now is 226.8 secs Computing kpt #: 163 total cpu time spent up to now is 228.3 secs Computing kpt #: 164 total cpu time spent up to now is 229.8 secs Computing kpt #: 165 total cpu time spent up to now is 231.2 secs Computing kpt #: 166 total cpu time spent up to now is 232.7 secs Computing kpt #: 167 total cpu time spent up to now is 234.1 secs Computing kpt #: 168 total cpu time spent up to now is 235.6 secs Computing kpt #: 169 total cpu time spent up to now is 237.1 secs Computing kpt #: 170 total cpu time spent up to now is 238.5 secs Computing kpt #: 171 total cpu time spent up to now is 240.0 secs Computing kpt #: 172 total cpu time spent up to now is 241.5 secs Computing kpt #: 173 total cpu time spent up to now is 242.9 secs Computing kpt #: 174 total cpu time spent up to now is 244.4 secs Computing kpt #: 175 total cpu time spent up to now is 245.8 secs Computing kpt #: 176 total cpu time spent up to now is 247.3 secs Computing kpt #: 177 total cpu time spent up to now is 248.8 secs Computing kpt #: 178 total cpu time spent up to now is 251.0 secs Computing kpt #: 179 total cpu time spent up to now is 252.7 secs Computing kpt #: 180 total cpu time spent up to now is 254.4 secs Computing kpt #: 181 total cpu time spent up to now is 256.2 secs Computing kpt #: 182 total cpu time spent up to now is 257.9 secs Computing kpt #: 183 total cpu time spent up to now is 259.6 secs Computing kpt #: 184 total cpu time spent up to now is 261.3 secs Computing kpt #: 185 total cpu time spent up to now is 263.0 secs Computing kpt #: 186 total cpu time spent up to now is 264.6 secs Computing kpt #: 187 total cpu time spent up to now is 266.3 secs Computing kpt #: 188 total cpu time spent up to now is 268.0 secs Computing kpt #: 189 total cpu time spent up to now is 269.4 secs Computing kpt #: 190 total cpu time spent up to now is 270.9 secs Computing kpt #: 191 total cpu time spent up to now is 272.3 secs Computing kpt #: 192 total cpu time spent up to now is 273.6 secs Computing kpt #: 193 total cpu time spent up to now is 275.0 secs Computing kpt #: 194 total cpu time spent up to now is 276.4 secs Computing kpt #: 195 total cpu time spent up to now is 277.7 secs Computing kpt #: 196 total cpu time spent up to now is 279.1 secs Computing kpt #: 197 total cpu time spent up to now is 280.4 secs Computing kpt #: 198 total cpu time spent up to now is 281.8 secs Computing kpt #: 199 total cpu time spent up to now is 283.1 secs Computing kpt #: 200 total cpu time spent up to now is 284.5 secs Computing kpt #: 201 total cpu time spent up to now is 285.8 secs Computing kpt #: 202 total cpu time spent up to now is 287.2 secs Computing kpt #: 203 total cpu time spent up to now is 288.5 secs Computing kpt #: 204 total cpu time spent up to now is 289.8 secs Computing kpt #: 205 total cpu time spent up to now is 291.2 secs Computing kpt #: 206 total cpu time spent up to now is 292.5 secs Computing kpt #: 207 total cpu time spent up to now is 293.8 secs Computing kpt #: 208 total cpu time spent up to now is 295.1 secs Computing kpt #: 209 total cpu time spent up to now is 296.5 secs Computing kpt #: 210 total cpu time spent up to now is 297.8 secs Computing kpt #: 211 total cpu time spent up to now is 299.2 secs Computing kpt #: 212 total cpu time spent up to now is 300.5 secs Computing kpt #: 213 total cpu time spent up to now is 301.8 secs Computing kpt #: 214 total cpu time spent up to now is 303.2 secs Computing kpt #: 215 total cpu time spent up to now is 304.5 secs Computing kpt #: 216 total cpu time spent up to now is 305.9 secs Computing kpt #: 217 total cpu time spent up to now is 307.2 secs Computing kpt #: 218 total cpu time spent up to now is 308.5 secs Computing kpt #: 219 total cpu time spent up to now is 309.9 secs Computing kpt #: 220 total cpu time spent up to now is 311.3 secs Computing kpt #: 221 total cpu time spent up to now is 313.0 secs Computing kpt #: 222 total cpu time spent up to now is 314.6 secs Computing kpt #: 223 total cpu time spent up to now is 315.9 secs Computing kpt #: 224 total cpu time spent up to now is 317.3 secs Computing kpt #: 225 total cpu time spent up to now is 318.6 secs Computing kpt #: 226 total cpu time spent up to now is 320.0 secs Computing kpt #: 227 total cpu time spent up to now is 321.4 secs Computing kpt #: 228 total cpu time spent up to now is 322.7 secs Computing kpt #: 229 total cpu time spent up to now is 324.1 secs Computing kpt #: 230 total cpu time spent up to now is 325.5 secs Computing kpt #: 231 total cpu time spent up to now is 326.9 secs Computing kpt #: 232 total cpu time spent up to now is 328.3 secs Computing kpt #: 233 total cpu time spent up to now is 329.8 secs Computing kpt #: 234 total cpu time spent up to now is 331.5 secs Computing kpt #: 235 total cpu time spent up to now is 333.2 secs Computing kpt #: 236 total cpu time spent up to now is 335.0 secs Computing kpt #: 237 total cpu time spent up to now is 336.7 secs Computing kpt #: 238 total cpu time spent up to now is 338.2 secs Computing kpt #: 239 total cpu time spent up to now is 339.7 secs Computing kpt #: 240 total cpu time spent up to now is 341.2 secs Computing kpt #: 241 total cpu time spent up to now is 342.9 secs Computing kpt #: 242 total cpu time spent up to now is 344.5 secs Computing kpt #: 243 total cpu time spent up to now is 346.2 secs Computing kpt #: 244 total cpu time spent up to now is 348.0 secs Computing kpt #: 245 total cpu time spent up to now is 349.5 secs Computing kpt #: 246 total cpu time spent up to now is 351.0 secs Computing kpt #: 247 total cpu time spent up to now is 352.9 secs Computing kpt #: 248 total cpu time spent up to now is 354.4 secs Computing kpt #: 249 total cpu time spent up to now is 355.8 secs Computing kpt #: 250 total cpu time spent up to now is 357.3 secs Computing kpt #: 251 total cpu time spent up to now is 358.7 secs Computing kpt #: 252 total cpu time spent up to now is 360.2 secs Computing kpt #: 253 total cpu time spent up to now is 361.6 secs Computing kpt #: 254 total cpu time spent up to now is 363.0 secs Computing kpt #: 255 total cpu time spent up to now is 364.4 secs Computing kpt #: 256 total cpu time spent up to now is 365.8 secs Computing kpt #: 257 total cpu time spent up to now is 367.2 secs Computing kpt #: 258 total cpu time spent up to now is 368.6 secs Computing kpt #: 259 total cpu time spent up to now is 370.0 secs Computing kpt #: 260 total cpu time spent up to now is 371.4 secs Computing kpt #: 261 total cpu time spent up to now is 372.8 secs Computing kpt #: 262 total cpu time spent up to now is 374.2 secs Computing kpt #: 263 total cpu time spent up to now is 375.6 secs Computing kpt #: 264 total cpu time spent up to now is 377.1 secs Computing kpt #: 265 total cpu time spent up to now is 378.5 secs Computing kpt #: 266 total cpu time spent up to now is 379.9 secs Computing kpt #: 267 total cpu time spent up to now is 381.2 secs Computing kpt #: 268 total cpu time spent up to now is 382.6 secs Computing kpt #: 269 total cpu time spent up to now is 384.0 secs Computing kpt #: 270 total cpu time spent up to now is 385.4 secs Computing kpt #: 271 total cpu time spent up to now is 386.8 secs Computing kpt #: 272 total cpu time spent up to now is 388.1 secs Computing kpt #: 273 total cpu time spent up to now is 389.5 secs Computing kpt #: 274 total cpu time spent up to now is 390.9 secs Computing kpt #: 275 total cpu time spent up to now is 392.3 secs Computing kpt #: 276 total cpu time spent up to now is 393.8 secs Computing kpt #: 277 total cpu time spent up to now is 395.2 secs Computing kpt #: 278 total cpu time spent up to now is 396.6 secs Computing kpt #: 279 total cpu time spent up to now is 398.0 secs Computing kpt #: 280 total cpu time spent up to now is 399.5 secs Computing kpt #: 281 total cpu time spent up to now is 401.2 secs Computing kpt #: 282 total cpu time spent up to now is 403.4 secs Computing kpt #: 283 total cpu time spent up to now is 405.2 secs Computing kpt #: 284 total cpu time spent up to now is 406.9 secs Computing kpt #: 285 total cpu time spent up to now is 408.7 secs Computing kpt #: 286 total cpu time spent up to now is 410.4 secs Computing kpt #: 287 total cpu time spent up to now is 412.1 secs Computing kpt #: 288 total cpu time spent up to now is 413.6 secs Computing kpt #: 289 total cpu time spent up to now is 415.0 secs Computing kpt #: 290 total cpu time spent up to now is 416.5 secs Computing kpt #: 291 total cpu time spent up to now is 417.9 secs Computing kpt #: 292 total cpu time spent up to now is 419.4 secs Computing kpt #: 293 total cpu time spent up to now is 420.8 secs Computing kpt #: 294 total cpu time spent up to now is 422.3 secs Computing kpt #: 295 total cpu time spent up to now is 423.7 secs Computing kpt #: 296 total cpu time spent up to now is 425.2 secs Computing kpt #: 297 total cpu time spent up to now is 426.6 secs Computing kpt #: 298 total cpu time spent up to now is 428.3 secs Computing kpt #: 299 total cpu time spent up to now is 430.0 secs Computing kpt #: 300 total cpu time spent up to now is 431.7 secs Computing kpt #: 301 total cpu time spent up to now is 433.4 secs Computing kpt #: 302 total cpu time spent up to now is 435.1 secs Computing kpt #: 303 total cpu time spent up to now is 436.8 secs Computing kpt #: 304 total cpu time spent up to now is 438.6 secs Computing kpt #: 305 total cpu time spent up to now is 440.3 secs Computing kpt #: 306 total cpu time spent up to now is 442.1 secs Computing kpt #: 307 total cpu time spent up to now is 443.8 secs Computing kpt #: 308 total cpu time spent up to now is 445.5 secs Computing kpt #: 309 total cpu time spent up to now is 447.3 secs Computing kpt #: 310 total cpu time spent up to now is 448.7 secs Computing kpt #: 311 total cpu time spent up to now is 450.2 secs Computing kpt #: 312 total cpu time spent up to now is 451.7 secs Computing kpt #: 313 total cpu time spent up to now is 453.2 secs Computing kpt #: 314 total cpu time spent up to now is 454.7 secs Computing kpt #: 315 total cpu time spent up to now is 456.1 secs Computing kpt #: 316 total cpu time spent up to now is 457.6 secs Computing kpt #: 317 total cpu time spent up to now is 459.1 secs Computing kpt #: 318 total cpu time spent up to now is 460.5 secs Computing kpt #: 319 total cpu time spent up to now is 462.0 secs Computing kpt #: 320 total cpu time spent up to now is 463.3 secs Computing kpt #: 321 total cpu time spent up to now is 464.7 secs Computing kpt #: 322 total cpu time spent up to now is 466.1 secs Computing kpt #: 323 total cpu time spent up to now is 467.4 secs Computing kpt #: 324 total cpu time spent up to now is 468.8 secs Computing kpt #: 325 total cpu time spent up to now is 470.2 secs Computing kpt #: 326 total cpu time spent up to now is 471.6 secs Computing kpt #: 327 total cpu time spent up to now is 473.0 secs Computing kpt #: 328 total cpu time spent up to now is 474.4 secs Computing kpt #: 329 total cpu time spent up to now is 475.8 secs Computing kpt #: 330 total cpu time spent up to now is 477.2 secs Computing kpt #: 331 total cpu time spent up to now is 478.6 secs ethr = 1.92E-08, avg # of iterations = 16.6 total cpu time spent up to now is 478.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7701 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5222 -12.5222 -6.5922 -6.5922 -6.1744 -6.1744 1.5071 1.5071 1.6425 1.6425 1.6500 1.6500 2.3972 2.3972 3.6491 3.6491 3.7834 3.7834 4.7267 4.7267 4.7273 4.7273 5.0636 5.0636 5.1270 5.1270 5.6649 5.6649 6.0836 6.0836 6.2260 6.2260 6.2754 6.2754 6.4844 6.4844 6.8687 6.8687 6.9985 6.9985 7.1634 7.1634 7.2401 7.2401 8.2495 8.2495 k = 0.0000 0.0000 0.0247 ( 7689 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5220 -12.5220 -6.5919 -6.5919 -6.1741 -6.1741 1.5024 1.5024 1.6430 1.6430 1.6523 1.6523 2.3951 2.3951 3.6494 3.6494 3.7836 3.7836 4.7028 4.7028 4.7461 4.7461 5.0598 5.0598 5.1254 5.1254 5.6662 5.6662 6.0877 6.0877 6.2261 6.2261 6.2756 6.2756 6.4848 6.4848 6.8703 6.8703 6.9985 6.9985 7.1624 7.1624 7.2388 7.2388 8.2550 8.2550 k = 0.0000 0.0000 0.0493 ( 7693 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5211 -12.5211 -6.5908 -6.5908 -6.1733 -6.1733 1.4899 1.4899 1.6387 1.6387 1.6640 1.6640 2.3890 2.3890 3.6503 3.6503 3.7843 3.7843 4.6732 4.6732 4.7601 4.7601 5.0493 5.0493 5.1207 5.1207 5.6700 5.6700 6.0997 6.0997 6.2264 6.2264 6.2763 6.2763 6.4858 6.4858 6.8751 6.8751 6.9986 6.9986 7.1593 7.1593 7.2353 7.2353 8.2717 8.2717 k = 0.0000 0.0000 0.0740 ( 7709 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3044 -17.3044 -17.1398 -17.1398 -17.1373 -17.1373 -17.1307 -17.1307 -17.1212 -17.1212 -12.5198 -12.5198 -6.5890 -6.5890 -6.1719 -6.1719 1.4725 1.4725 1.6296 1.6296 1.6818 1.6818 2.3790 2.3790 3.6516 3.6516 3.7856 3.7856 4.6379 4.6379 4.7685 4.7685 5.0335 5.0335 5.1136 5.1136 5.6761 5.6761 6.1188 6.1188 6.2270 6.2270 6.2777 6.2777 6.4876 6.4876 6.8828 6.8828 6.9990 6.9990 7.1537 7.1537 7.2302 7.2302 8.2992 8.2992 k = 0.0000 0.0000 0.0986 ( 7711 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3045 -17.3045 -17.1398 -17.1398 -17.1373 -17.1373 -17.1308 -17.1308 -17.1212 -17.1212 -12.5179 -12.5179 -6.5864 -6.5864 -6.1700 -6.1700 1.4522 1.4522 1.6166 1.6166 1.7030 1.7030 2.3653 2.3653 3.6530 3.6530 3.7876 3.7876 4.5966 4.5966 4.7701 4.7701 5.0152 5.0152 5.1045 5.1045 5.6841 5.6841 6.1435 6.1435 6.2278 6.2278 6.2800 6.2800 6.4901 6.4901 6.8927 6.8927 7.0002 7.0002 7.1450 7.1450 7.2243 7.2243 8.3370 8.3370 k = 0.0000 0.0000 0.1233 ( 7713 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3045 -17.3045 -17.1398 -17.1398 -17.1374 -17.1374 -17.1309 -17.1309 -17.1212 -17.1212 -12.5154 -12.5154 -6.5832 -6.5832 -6.1676 -6.1676 1.4303 1.4303 1.6001 1.6001 1.7261 1.7261 2.3481 2.3481 3.6540 3.6540 3.7902 3.7902 4.5491 4.5491 4.7630 4.7630 4.9981 4.9981 5.0941 5.0941 5.6936 5.6936 6.1719 6.1719 6.2289 6.2289 6.2840 6.2840 6.4935 6.4935 6.9039 6.9039 7.0029 7.0029 7.1328 7.1328 7.2189 7.2189 8.3844 8.3844 k = 0.0000 0.0000 0.1479 ( 7707 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3046 -17.3046 -17.1398 -17.1398 -17.1375 -17.1375 -17.1309 -17.1309 -17.1212 -17.1212 -12.5124 -12.5124 -6.5793 -6.5793 -6.1647 -6.1647 1.4075 1.4075 1.5801 1.5801 1.7504 1.7504 2.3279 2.3279 3.6545 3.6545 3.7937 3.7937 4.4957 4.4957 4.7452 4.7452 4.9856 4.9856 5.0830 5.0830 5.7045 5.7045 6.2010 6.2010 6.2304 6.2304 6.2910 6.2910 6.4979 6.4979 6.9151 6.9151 7.0080 7.0080 7.1168 7.1168 7.2146 7.2146 8.4408 8.4408 k = 0.0000 0.0000 0.1726 ( 7711 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3047 -17.3047 -17.1398 -17.1398 -17.1376 -17.1376 -17.1311 -17.1311 -17.1213 -17.1213 -12.5089 -12.5089 -6.5746 -6.5746 -6.1612 -6.1612 1.3840 1.3840 1.5567 1.5567 1.7755 1.7755 2.3050 2.3050 3.6539 3.6539 3.7980 3.7980 4.4368 4.4368 4.7164 4.7164 4.9790 4.9790 5.0718 5.0718 5.7164 5.7164 6.2265 6.2265 6.2323 6.2323 6.3037 6.3037 6.5038 6.5038 6.9250 6.9250 7.0167 7.0167 7.0978 7.0978 7.2120 7.2120 8.5053 8.5053 k = 0.0000 0.0000 0.1972 ( 7707 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3048 -17.3048 -17.1398 -17.1398 -17.1376 -17.1376 -17.1312 -17.1312 -17.1213 -17.1213 -12.5049 -12.5049 -6.5693 -6.5693 -6.1573 -6.1573 1.3601 1.3601 1.5303 1.5303 1.8012 1.8012 2.2798 2.2798 3.6521 3.6521 3.8029 3.8029 4.3728 4.3728 4.6779 4.6779 4.9774 4.9774 5.0613 5.0613 5.7293 5.7293 6.2344 6.2344 6.2447 6.2447 6.3241 6.3241 6.5123 6.5123 6.9325 6.9325 7.0283 7.0283 7.0779 7.0779 7.2111 7.2111 8.5769 8.5769 k = 0.0000 0.0000 0.2219 ( 7707 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3162 -17.3162 -17.3050 -17.3050 -17.1398 -17.1398 -17.1378 -17.1378 -17.1313 -17.1313 -17.1213 -17.1213 -12.5004 -12.5004 -6.5633 -6.5633 -6.1529 -6.1529 1.3359 1.3359 1.5009 1.5009 1.8274 1.8274 2.2526 2.2526 3.6489 3.6489 3.8083 3.8083 4.3045 4.3045 4.6322 4.6322 4.9776 4.9776 5.0533 5.0533 5.7430 5.7430 6.2374 6.2374 6.2556 6.2556 6.3488 6.3488 6.5251 6.5251 6.9375 6.9375 7.0315 7.0315 7.0691 7.0691 7.2118 7.2118 8.6547 8.6547 k = 0.0000 0.0000 0.2465 ( 7711 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3162 -17.3162 -17.3051 -17.3051 -17.1398 -17.1398 -17.1379 -17.1379 -17.1315 -17.1315 -17.1214 -17.1214 -12.4954 -12.4954 -6.5567 -6.5567 -6.1481 -6.1481 1.3113 1.3113 1.4687 1.4687 1.8538 1.8538 2.2239 2.2239 3.6443 3.6443 3.8138 3.8138 4.2328 4.2328 4.5814 4.5814 4.9755 4.9755 5.0505 5.0505 5.7575 5.7575 6.2410 6.2410 6.2627 6.2627 6.3716 6.3716 6.5444 6.5444 6.9406 6.9406 7.0125 7.0125 7.0854 7.0854 7.2142 7.2142 8.7378 8.7378 k = 0.0000 0.0000 0.2712 ( 7711 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3162 -17.3162 -17.3053 -17.3053 -17.1398 -17.1398 -17.1380 -17.1380 -17.1317 -17.1317 -17.1214 -17.1214 -12.4899 -12.4899 -6.5494 -6.5494 -6.1428 -6.1428 1.2865 1.2865 1.4340 1.4340 1.8806 1.8806 2.1941 2.1941 3.6382 3.6382 3.8190 3.8190 4.1585 4.1585 4.5271 4.5271 4.9677 4.9677 5.0549 5.0549 5.7728 5.7728 6.2453 6.2453 6.2683 6.2683 6.3877 6.3877 6.5718 6.5718 6.9423 6.9423 6.9869 6.9869 7.1116 7.1116 7.2183 7.2183 8.8252 8.8252 k = 0.0000 0.0000 0.2958 ( 7713 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3055 -17.3055 -17.1398 -17.1398 -17.1382 -17.1382 -17.1318 -17.1318 -17.1215 -17.1215 -12.4840 -12.4840 -6.5415 -6.5415 -6.1371 -6.1371 1.2614 1.2614 1.3969 1.3969 1.9075 1.9075 2.1635 2.1635 3.6308 3.6308 3.8233 3.8233 4.0827 4.0827 4.4705 4.4705 4.9540 4.9540 5.0659 5.0659 5.7889 5.7889 6.2504 6.2504 6.2736 6.2736 6.3959 6.3959 6.6068 6.6068 6.9391 6.9391 6.9645 6.9645 7.1421 7.1421 7.2239 7.2239 8.9160 8.9160 k = 0.0000 0.0000 0.3205 ( 7705 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3056 -17.3056 -17.1398 -17.1398 -17.1383 -17.1383 -17.1320 -17.1320 -17.1215 -17.1215 -12.4776 -12.4776 -6.5330 -6.5330 -6.1311 -6.1311 1.2359 1.2359 1.3576 1.3576 1.9344 1.9344 2.1326 2.1326 3.6220 3.6220 3.8255 3.8255 4.0072 4.0072 4.4125 4.4125 4.9358 4.9358 5.0815 5.0815 5.8059 5.8059 6.2561 6.2561 6.2792 6.2792 6.3973 6.3973 6.6469 6.6469 6.9191 6.9191 6.9595 6.9595 7.1755 7.1755 7.2312 7.2312 9.0092 9.0092 k = 0.0000 0.0000 0.3451 ( 7705 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3058 -17.3058 -17.1397 -17.1397 -17.1385 -17.1385 -17.1323 -17.1323 -17.1216 -17.1216 -12.4709 -12.4709 -6.5239 -6.5239 -6.1247 -6.1247 1.2100 1.2100 1.3164 1.3164 1.9610 1.9610 2.1019 2.1019 3.6120 3.6120 3.8217 3.8217 3.9361 3.9361 4.3535 4.3535 4.9142 4.9142 5.1000 5.1000 5.8237 5.8237 6.2623 6.2623 6.2858 6.2858 6.3934 6.3934 6.6893 6.6893 6.8910 6.8910 6.9646 6.9646 7.2111 7.2111 7.2401 7.2401 9.1038 9.1038 k = 0.0000 0.0000 0.3698 ( 7705 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3061 -17.3061 -17.1397 -17.1397 -17.1386 -17.1386 -17.1325 -17.1325 -17.1217 -17.1217 -12.4637 -12.4637 -6.5142 -6.5142 -6.1181 -6.1181 1.1836 1.1836 1.2735 1.2735 1.9862 1.9862 2.0729 2.0729 3.6008 3.6008 3.7979 3.7979 3.8840 3.8840 4.2942 4.2942 4.8897 4.8897 5.1205 5.1205 5.8424 5.8424 6.2685 6.2685 6.2941 6.2941 6.3853 6.3853 6.7316 6.7316 6.8618 6.8618 6.9744 6.9744 7.2463 7.2463 7.2529 7.2529 9.1989 9.1989 k = 0.0000 0.0000 0.3945 ( 7711 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3063 -17.3063 -17.1397 -17.1397 -17.1387 -17.1387 -17.1327 -17.1327 -17.1218 -17.1218 -12.4562 -12.4562 -6.5040 -6.5040 -6.1111 -6.1111 1.1566 1.1566 1.2291 1.2291 2.0035 2.0035 2.0522 2.0522 3.5884 3.5884 3.7405 3.7405 3.8650 3.8650 4.2347 4.2347 4.8626 4.8626 5.1425 5.1425 5.8620 5.8620 6.2744 6.2744 6.3044 6.3044 6.3740 6.3740 6.7714 6.7714 6.8327 6.8327 6.9892 6.9892 7.2612 7.2612 7.2892 7.2892 9.2936 9.2936 k = 0.0000 0.0000 0.4191 ( 7714 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3164 -17.3164 -17.3065 -17.3065 -17.1398 -17.1398 -17.1389 -17.1389 -17.1330 -17.1330 -17.1219 -17.1219 -12.4483 -12.4483 -6.4933 -6.4933 -6.1039 -6.1039 1.1290 1.1290 1.1834 1.1834 1.9934 1.9934 2.0594 2.0594 3.5748 3.5748 3.6693 3.6693 3.8598 3.8598 4.1756 4.1756 4.8332 4.8332 5.1656 5.1656 5.8827 5.8827 6.2798 6.2798 6.3169 6.3169 6.3600 6.3600 6.8033 6.8033 6.8077 6.8077 7.0103 7.0103 7.2744 7.2744 7.3301 7.3301 9.3867 9.3867 k = 0.0000 0.0000 0.4438 ( 7710 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3164 -17.3164 -17.3067 -17.3067 -17.1399 -17.1399 -17.1390 -17.1390 -17.1332 -17.1332 -17.1220 -17.1220 -12.4402 -12.4402 -6.4821 -6.4821 -6.0965 -6.0965 1.1006 1.1006 1.1366 1.1366 1.9678 1.9678 2.0830 2.0830 3.5591 3.5591 3.5968 3.5968 3.8570 3.8570 4.1171 4.1171 4.8015 4.8015 5.1895 5.1895 5.9043 5.9043 6.2844 6.2844 6.3313 6.3313 6.3443 6.3443 6.7768 6.7768 6.8357 6.8357 7.0387 7.0387 7.2887 7.2887 7.3725 7.3725 9.4772 9.4772 k = 0.0000 0.0000 0.4684 ( 7718 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3165 -17.3165 -17.3070 -17.3070 -17.1400 -17.1400 -17.1390 -17.1390 -17.1334 -17.1334 -17.1221 -17.1221 -12.4317 -12.4317 -6.4704 -6.4704 -6.0889 -6.0889 1.0714 1.0714 1.0890 1.0890 1.9398 1.9398 2.1099 2.1099 3.5181 3.5181 3.5493 3.5493 3.8539 3.8539 4.0597 4.0597 4.7676 4.7676 5.2139 5.2139 5.9269 5.9269 6.2878 6.2878 6.3269 6.3269 6.3486 6.3486 6.7506 6.7506 6.8582 6.8582 7.0740 7.0740 7.3040 7.3040 7.4159 7.4159 9.5640 9.5640 k = 0.0000 0.0000 0.4931 ( 7714 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3165 -17.3165 -17.3073 -17.3073 -17.1401 -17.1401 -17.1390 -17.1390 -17.1337 -17.1337 -17.1222 -17.1222 -12.4230 -12.4230 -6.4584 -6.4584 -6.0812 -6.0812 1.0404 1.0404 1.0414 1.0414 1.9120 1.9120 2.1378 2.1378 3.4485 3.4485 3.5315 3.5315 3.8493 3.8493 4.0039 4.0039 4.7319 4.7319 5.2386 5.2386 5.9505 5.9505 6.2860 6.2860 6.3134 6.3134 6.3670 6.3670 6.7257 6.7257 6.8753 6.8753 7.1149 7.1149 7.3203 7.3203 7.4602 7.4602 9.6457 9.6457 k = 0.0000 0.0000 0.5177 ( 7718 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3165 -17.3165 -17.3075 -17.3075 -17.1403 -17.1403 -17.1391 -17.1391 -17.1339 -17.1339 -17.1223 -17.1223 -12.4140 -12.4140 -6.4459 -6.4459 -6.0733 -6.0733 0.9917 0.9917 1.0100 1.0100 1.8850 1.8850 2.1660 2.1660 3.3797 3.3797 3.5144 3.5144 3.8414 3.8414 3.9513 3.9513 4.6943 4.6943 5.2635 5.2635 5.9752 5.9752 6.2723 6.2723 6.3103 6.3103 6.3871 6.3871 6.7023 6.7023 6.8886 6.8886 7.1593 7.1593 7.3375 7.3375 7.5051 7.5051 9.7211 9.7211 k = 0.0000 0.0000 0.5424 ( 7720 PWs) bands (ev): -45.2510 -45.2510 -45.2504 -45.2504 -17.3165 -17.3165 -17.3078 -17.3078 -17.1404 -17.1404 -17.1391 -17.1391 -17.1341 -17.1341 -17.1224 -17.1224 -12.4048 -12.4048 -6.4330 -6.4330 -6.0654 -6.0654 0.9425 0.9425 0.9777 0.9777 1.8591 1.8591 2.1944 2.1944 3.3137 3.3137 3.4969 3.4969 3.8264 3.8264 3.9058 3.9058 4.6551 4.6551 5.2883 5.2883 6.0010 6.0010 6.2512 6.2512 6.3135 6.3135 6.4087 6.4087 6.6805 6.6805 6.8993 6.8993 7.2057 7.2057 7.3556 7.3556 7.5502 7.5502 9.7887 9.7887 k = 0.0000 0.0000 0.5670 ( 7728 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3166 -17.3166 -17.3081 -17.3081 -17.1406 -17.1406 -17.1391 -17.1391 -17.1344 -17.1344 -17.1226 -17.1226 -12.3954 -12.3954 -6.4198 -6.4198 -6.0574 -6.0574 0.8932 0.8932 0.9442 0.9442 1.8346 1.8346 2.2229 2.2229 3.2509 3.2509 3.4788 3.4788 3.7972 3.7972 3.8745 3.8745 4.6146 4.6146 5.3128 5.3128 6.0278 6.0278 6.2273 6.2273 6.3183 6.3183 6.4315 6.4315 6.6603 6.6603 6.9081 6.9081 7.2526 7.2526 7.3747 7.3747 7.5953 7.5953 9.8474 9.8474 k = 0.0000 0.0000 0.5917 ( 7724 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3166 -17.3166 -17.3083 -17.3083 -17.1408 -17.1408 -17.1391 -17.1391 -17.1346 -17.1346 -17.1227 -17.1227 -12.3859 -12.3859 -6.4063 -6.4063 -6.0494 -6.0494 0.8438 0.8438 0.9094 0.9094 1.8115 1.8115 2.2514 2.2514 3.1917 3.1917 3.4602 3.4602 3.7544 3.7544 3.8569 3.8569 4.5728 4.5728 5.3369 5.3369 6.0556 6.0556 6.2021 6.2021 6.3239 6.3239 6.4553 6.4553 6.6420 6.6420 6.9158 6.9158 7.2988 7.2988 7.3951 7.3951 7.6400 7.6400 9.8960 9.8960 k = 0.0000 0.0000 0.6163 ( 7720 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3166 -17.3166 -17.3086 -17.3086 -17.1409 -17.1409 -17.1391 -17.1391 -17.1348 -17.1348 -17.1228 -17.1228 -12.3763 -12.3763 -6.3926 -6.3926 -6.0414 -6.0414 0.7947 0.7947 0.8733 0.8733 1.7899 1.7899 2.2798 2.2798 3.1364 3.1364 3.4412 3.4412 3.7063 3.7063 3.8449 3.8449 4.5300 4.5300 5.3605 5.3605 6.0844 6.0844 6.1759 6.1759 6.3298 6.3298 6.4798 6.4798 6.6255 6.6255 6.9226 6.9226 7.3424 7.3424 7.4179 7.4179 7.6838 7.6838 9.9342 9.9342 k = 0.0000 0.0000 0.6410 ( 7716 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3166 -17.3166 -17.3088 -17.3088 -17.1411 -17.1411 -17.1391 -17.1391 -17.1350 -17.1350 -17.1230 -17.1230 -12.3666 -12.3666 -6.3786 -6.3786 -6.0335 -6.0335 0.7459 0.7459 0.8360 0.8360 1.7700 1.7700 2.3081 2.3081 3.0851 3.0851 3.4218 3.4218 3.6569 3.6569 3.8345 3.8345 4.4865 4.4865 5.3833 5.3833 6.1142 6.1142 6.1492 6.1492 6.3361 6.3361 6.5043 6.5043 6.6115 6.6115 6.9286 6.9286 7.3809 7.3809 7.4453 7.4453 7.7264 7.7264 9.9620 9.9620 k = 0.0000 0.0000 0.6656 ( 7716 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3166 -17.3166 -17.3091 -17.3091 -17.1413 -17.1413 -17.1392 -17.1392 -17.1351 -17.1351 -17.1231 -17.1231 -12.3568 -12.3568 -6.3645 -6.3645 -6.0256 -6.0256 0.6975 0.6975 0.7973 0.7973 1.7518 1.7518 2.3361 2.3361 3.0381 3.0381 3.4022 3.4022 3.6078 3.6078 3.8242 3.8242 4.4424 4.4424 5.4053 5.4053 6.1214 6.1214 6.1455 6.1455 6.3427 6.3427 6.5274 6.5274 6.6010 6.6010 6.9342 6.9342 7.4117 7.4117 7.4794 7.4794 7.7673 7.7673 9.9805 9.9805 k = 0.0000 0.0000 0.6903 ( 7720 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3166 -17.3166 -17.3094 -17.3094 -17.1415 -17.1415 -17.1392 -17.1392 -17.1353 -17.1353 -17.1233 -17.1233 -12.3470 -12.3470 -6.3502 -6.3502 -6.0179 -6.0179 0.6497 0.6497 0.7575 0.7575 1.7354 1.7354 2.3637 2.3637 2.9954 2.9954 3.3824 3.3824 3.5596 3.5596 3.8136 3.8136 4.3979 4.3979 5.4263 5.4263 6.0941 6.0941 6.1770 6.1770 6.3495 6.3495 6.5451 6.5451 6.5980 6.5980 6.9393 6.9393 7.4356 7.4356 7.5187 7.5187 7.8060 7.8060 9.9913 9.9913 k = 0.0000 0.0000 0.7149 ( 7726 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3166 -17.3166 -17.3096 -17.3096 -17.1416 -17.1416 -17.1393 -17.1393 -17.1354 -17.1354 -17.1234 -17.1234 -12.3372 -12.3372 -6.3357 -6.3357 -6.0103 -6.0103 0.6027 0.6027 0.7165 0.7165 1.7207 1.7207 2.3909 2.3909 2.9572 2.9572 3.3624 3.3624 3.5125 3.5125 3.8026 3.8026 4.3534 4.3534 5.4462 5.4462 6.0665 6.0665 6.2094 6.2094 6.3565 6.3565 6.5506 6.5506 6.6089 6.6089 6.9439 6.9439 7.4554 7.4554 7.5604 7.5604 7.8419 7.8419 9.9967 9.9967 k = 0.0000 0.0000 0.7396 ( 7730 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3167 -17.3167 -17.3099 -17.3099 -17.1418 -17.1418 -17.1394 -17.1394 -17.1355 -17.1355 -17.1236 -17.1236 -12.3274 -12.3274 -6.3213 -6.3213 -6.0028 -6.0028 0.5565 0.5565 0.6746 0.6746 1.7079 1.7079 2.4174 2.4174 2.9234 2.9234 3.3424 3.3424 3.4668 3.4668 3.7909 3.7909 4.3088 4.3088 5.4648 5.4648 6.0390 6.0390 6.2425 6.2425 6.3638 6.3638 6.5471 6.5471 6.6304 6.6304 6.9483 6.9483 7.4727 7.4727 7.6025 7.6025 7.8747 7.8747 9.9991 9.9991 k = 0.0000 0.0000 0.7643 ( 7726 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3167 -17.3167 -17.3101 -17.3101 -17.1420 -17.1420 -17.1395 -17.1395 -17.1356 -17.1356 -17.1237 -17.1237 -12.3178 -12.3178 -6.3068 -6.3068 -5.9956 -5.9956 0.5113 0.5113 0.6318 0.6318 1.6968 1.6968 2.4432 2.4432 2.8942 2.8942 3.3225 3.3225 3.4225 3.4225 3.7785 3.7785 4.2646 4.2646 5.4822 5.4822 6.0116 6.0116 6.2762 6.2762 6.3714 6.3714 6.5411 6.5411 6.6556 6.6556 6.9523 6.9523 7.4883 7.4883 7.6441 7.6441 7.9038 7.9038 10.0009 10.0009 k = 0.0000 0.0000 0.7889 ( 7720 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3167 -17.3167 -17.3104 -17.3104 -17.1421 -17.1421 -17.1396 -17.1396 -17.1356 -17.1356 -17.1239 -17.1239 -12.3082 -12.3082 -6.2923 -6.2923 -5.9885 -5.9885 0.4672 0.4672 0.5883 0.5883 1.6876 1.6876 2.4680 2.4680 2.8695 2.8695 3.3028 3.3028 3.3798 3.3798 3.7655 3.7655 4.2209 4.2209 5.4981 5.4981 5.9846 5.9846 6.3101 6.3101 6.3793 6.3793 6.5350 6.5350 6.6821 6.6821 6.9561 6.9561 7.5024 7.5024 7.6846 7.6846 7.9289 7.9289 10.0042 10.0042 k = 0.0000 0.0000 0.8136 ( 7724 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3166 -17.3166 -17.3107 -17.3107 -17.1423 -17.1423 -17.1397 -17.1397 -17.1356 -17.1356 -17.1240 -17.1240 -12.2988 -12.2988 -6.2780 -6.2780 -5.9817 -5.9817 0.4243 0.4243 0.5444 0.5444 1.6801 1.6801 2.4915 2.4915 2.8493 2.8493 3.2833 3.2833 3.3388 3.3388 3.7518 3.7518 4.1780 4.1780 5.5127 5.5127 5.9580 5.9580 6.3439 6.3439 6.3878 6.3878 6.5297 6.5297 6.7088 6.7088 6.9596 6.9596 7.5152 7.5152 7.7237 7.7237 7.9497 7.9497 10.0108 10.0108 k = 0.0000 0.0000 0.8382 ( 7720 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3166 -17.3166 -17.3109 -17.3109 -17.1424 -17.1424 -17.1399 -17.1399 -17.1356 -17.1356 -17.1242 -17.1242 -12.2895 -12.2895 -6.2637 -6.2637 -5.9751 -5.9751 0.3826 0.3826 0.5003 0.5003 1.6744 1.6744 2.5134 2.5134 2.8337 2.8337 3.2640 3.2640 3.2995 3.2995 3.7373 3.7373 4.1361 4.1361 5.5257 5.5257 5.9319 5.9319 6.3760 6.3760 6.3981 6.3981 6.5253 6.5253 6.7354 6.7354 6.9630 6.9630 7.5266 7.5266 7.7612 7.7612 7.9660 7.9660 10.0221 10.0221 k = 0.0000 0.0000 0.8629 ( 7720 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3166 -17.3166 -17.3111 -17.3111 -17.1425 -17.1425 -17.1400 -17.1400 -17.1356 -17.1356 -17.1244 -17.1244 -12.2804 -12.2804 -6.2496 -6.2496 -5.9688 -5.9688 0.3423 0.3423 0.4561 0.4561 1.6704 1.6704 2.5336 2.5336 2.8227 2.8227 3.2445 3.2445 3.2626 3.2626 3.7221 3.7221 4.0954 4.0954 5.5372 5.5372 5.9066 5.9066 6.3973 6.3973 6.4188 6.4188 6.5222 6.5222 6.7616 6.7616 6.9662 6.9662 7.5368 7.5368 7.7968 7.7968 7.9781 7.9781 10.0391 10.0391 k = 0.0000 0.0000 0.8875 ( 7728 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3166 -17.3166 -17.3113 -17.3113 -17.1426 -17.1426 -17.1402 -17.1402 -17.1355 -17.1355 -17.1246 -17.1246 -12.2716 -12.2716 -6.2358 -6.2358 -5.9627 -5.9627 0.3035 0.3035 0.4122 0.4122 1.6680 1.6680 2.5516 2.5516 2.8161 2.8161 3.2207 3.2207 3.2323 3.2323 3.7061 3.7061 4.0563 4.0563 5.5472 5.5472 5.8819 5.8819 6.4080 6.4080 6.4486 6.4486 6.5215 6.5215 6.7871 6.7871 6.9693 6.9693 7.5457 7.5457 7.8303 7.8303 7.9860 7.9860 10.0622 10.0622 k = 0.0000 0.0000 0.9122 ( 7726 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3166 -17.3166 -17.3115 -17.3115 -17.1427 -17.1427 -17.1404 -17.1404 -17.1355 -17.1355 -17.1247 -17.1247 -12.2630 -12.2630 -6.2222 -6.2222 -5.9569 -5.9569 0.2662 0.2662 0.3688 0.3688 1.6671 1.6671 2.5673 2.5673 2.8139 2.8139 3.1888 3.1888 3.2126 3.2126 3.6891 3.6891 4.0190 4.0190 5.5556 5.5556 5.8582 5.8582 6.4168 6.4168 6.4755 6.4755 6.5259 6.5259 6.8117 6.8117 6.9724 6.9724 7.5534 7.5534 7.8613 7.8613 7.9905 7.9905 10.0917 10.0917 k = 0.0000 0.0000 0.9368 ( 7736 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3166 -17.3166 -17.3118 -17.3118 -17.1428 -17.1428 -17.1406 -17.1406 -17.1354 -17.1354 -17.1249 -17.1249 -12.2547 -12.2547 -6.2090 -6.2090 -5.9515 -5.9515 0.2305 0.2305 0.3261 0.3261 1.6677 1.6677 2.5807 2.5807 2.8156 2.8156 3.1567 3.1567 3.1957 3.1957 3.6713 3.6713 3.9837 3.9837 5.5624 5.5624 5.8354 5.8354 6.4253 6.4253 6.4911 6.4911 6.5423 6.5423 6.8353 6.8353 6.9755 6.9755 7.5598 7.5598 7.8890 7.8890 7.9928 7.9928 10.1276 10.1276 k = 0.0000 0.0000 0.9615 ( 7726 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3166 -17.3166 -17.3120 -17.3120 -17.1429 -17.1429 -17.1407 -17.1407 -17.1353 -17.1353 -17.1250 -17.1250 -12.2467 -12.2467 -6.1961 -6.1961 -5.9463 -5.9463 0.1965 0.1965 0.2845 0.2845 1.6696 1.6696 2.5918 2.5918 2.8208 2.8208 3.1261 3.1261 3.1801 3.1801 3.6525 3.6525 3.9507 3.9507 5.5678 5.5678 5.8136 5.8136 6.4336 6.4336 6.4962 6.4962 6.5693 6.5693 6.8577 6.8577 6.9789 6.9789 7.5651 7.5651 7.9116 7.9116 7.9949 7.9949 10.1692 10.1692 k = 0.0000 0.0000 0.9861 ( 7722 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3166 -17.3166 -17.3121 -17.3121 -17.1430 -17.1430 -17.1409 -17.1409 -17.1353 -17.1353 -17.1252 -17.1252 -12.2391 -12.2391 -6.1837 -6.1837 -5.9414 -5.9414 0.1642 0.1642 0.2440 0.2440 1.6728 1.6728 2.6009 2.6009 2.8286 2.8286 3.0973 3.0973 3.1656 3.1656 3.6328 3.6328 3.9202 3.9202 5.5717 5.5717 5.7930 5.7930 6.4417 6.4417 6.4974 6.4974 6.6000 6.6000 6.8785 6.8785 6.9826 6.9826 7.5693 7.5693 7.9261 7.9261 8.0006 8.0006 10.2156 10.2156 k = 0.0000 0.0000 1.0108 ( 7726 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3166 -17.3166 -17.3123 -17.3123 -17.1431 -17.1431 -17.1411 -17.1411 -17.1352 -17.1352 -17.1253 -17.1253 -12.2318 -12.2318 -6.1718 -6.1718 -5.9368 -5.9368 0.1338 0.1338 0.2051 0.2051 1.6770 1.6770 2.6085 2.6085 2.8384 2.8384 3.0703 3.0703 3.1524 3.1524 3.6123 3.6123 3.8923 3.8923 5.5743 5.5743 5.7735 5.7735 6.4496 6.4496 6.4976 6.4976 6.6311 6.6311 6.8975 6.8975 6.9869 6.9869 7.5724 7.5724 7.9302 7.9302 8.0125 8.0125 10.2645 10.2645 k = 0.0000 0.0000 1.0354 ( 7724 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3124 -17.3124 -17.1431 -17.1431 -17.1412 -17.1412 -17.1351 -17.1351 -17.1254 -17.1254 -12.2249 -12.2249 -6.1604 -6.1604 -5.9326 -5.9326 0.1052 0.1052 0.1678 0.1678 1.6821 1.6821 2.6148 2.6148 2.8492 2.8492 3.0452 3.0452 3.1407 3.1407 3.5911 3.5911 3.8671 3.8671 5.5755 5.5755 5.7553 5.7553 6.4573 6.4573 6.4976 6.4976 6.6618 6.6618 6.9142 6.9142 6.9922 6.9922 7.5747 7.5747 7.9262 7.9262 8.0291 8.0291 10.3094 10.3094 k = 0.0000 0.0000 1.0601 ( 7720 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3126 -17.3126 -17.1432 -17.1432 -17.1414 -17.1414 -17.1351 -17.1351 -17.1256 -17.1256 -12.2184 -12.2184 -6.1496 -6.1496 -5.9287 -5.9287 0.0784 0.0784 0.1325 0.1325 1.6880 1.6880 2.6203 2.6203 2.8603 2.8603 3.0220 3.0220 3.1305 3.1305 3.5695 3.5695 3.8446 3.8446 5.5756 5.5756 5.7384 5.7384 6.4647 6.4647 6.4975 6.4975 6.6914 6.6914 6.9283 6.9283 6.9988 6.9988 7.5761 7.5761 7.9176 7.9176 8.0475 8.0475 10.3315 10.3315 k = 0.0000 0.0000 1.0847 ( 7732 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3127 -17.3127 -17.1432 -17.1432 -17.1416 -17.1416 -17.1350 -17.1350 -17.1257 -17.1257 -12.2124 -12.2124 -6.1395 -6.1395 -5.9251 -5.9251 0.0537 0.0537 0.0993 0.0993 1.6945 1.6945 2.6250 2.6250 2.8709 2.8709 3.0007 3.0007 3.1220 3.1220 3.5478 3.5478 3.8246 3.8246 5.5746 5.5746 5.7228 5.7228 6.4717 6.4717 6.4976 6.4976 6.7198 6.7198 6.9395 6.9395 7.0069 7.0069 7.5768 7.5768 7.9067 7.9067 8.0657 8.0657 10.3139 10.3139 k = 0.0000 0.0000 1.1094 ( 7718 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3128 -17.3128 -17.1432 -17.1432 -17.1417 -17.1417 -17.1349 -17.1349 -17.1258 -17.1258 -12.2068 -12.2068 -6.1301 -6.1301 -5.9218 -5.9218 0.0308 0.0308 0.0684 0.0684 1.7013 1.7013 2.6293 2.6293 2.8805 2.8805 2.9814 2.9814 3.1154 3.1154 3.5264 3.5264 3.8071 3.8071 5.5727 5.5727 5.7087 5.7087 6.4782 6.4782 6.4979 6.4979 6.7464 6.7464 6.9479 6.9479 7.0162 7.0162 7.5770 7.5770 7.8948 7.8948 8.0830 8.0830 10.2758 10.2758 k = 0.0000 0.0000 1.1341 ( 7720 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3130 -17.3130 -17.1432 -17.1432 -17.1418 -17.1418 -17.1348 -17.1348 -17.1259 -17.1259 -12.2017 -12.2017 -6.1214 -6.1214 -5.9188 -5.9188 0.0100 0.0100 0.0400 0.0400 1.7084 1.7084 2.6331 2.6331 2.8887 2.8887 2.9642 2.9642 3.1106 3.1106 3.5058 3.5058 3.7918 3.7918 5.5702 5.5702 5.6959 5.6959 6.4840 6.4840 6.4984 6.4984 6.7713 6.7713 6.9541 6.9541 7.0263 7.0263 7.5766 7.5766 7.8826 7.8826 8.0990 8.0990 10.2333 10.2333 k = 0.0000 0.0000 1.1587 ( 7712 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3130 -17.3130 -17.1432 -17.1432 -17.1419 -17.1419 -17.1348 -17.1348 -17.1260 -17.1260 -12.1971 -12.1971 -6.1135 -6.1135 -5.9162 -5.9162 -0.0089 -0.0089 0.0143 0.0143 1.7154 1.7154 2.6366 2.6366 2.8951 2.8951 2.9489 2.9489 3.1076 3.1076 3.4862 3.4862 3.7786 3.7786 5.5672 5.5672 5.6845 5.6845 6.4889 6.4889 6.4995 6.4995 6.7940 6.7940 6.9586 6.9586 7.0365 7.0365 7.5759 7.5759 7.8708 7.8708 8.1135 8.1135 10.1917 10.1917 k = 0.0000 0.0000 1.1834 ( 7716 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3166 -17.3166 -17.3131 -17.3131 -17.1432 -17.1432 -17.1421 -17.1421 -17.1347 -17.1347 -17.1261 -17.1261 -12.1930 -12.1930 -6.1064 -6.1064 -5.9139 -5.9139 -0.0259 -0.0259 -0.0084 -0.0084 1.7223 1.7223 2.6397 2.6397 2.8996 2.8996 2.9359 2.9359 3.1062 3.1062 3.4680 3.4680 3.7672 3.7672 5.5638 5.5638 5.6745 5.6745 6.4924 6.4924 6.5015 6.5015 6.8146 6.8146 6.9619 6.9619 7.0463 7.0463 7.5750 7.5750 7.8598 7.8598 8.1264 8.1264 10.1531 10.1531 k = 0.0000 0.0000 1.2080 ( 7716 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3132 -17.3132 -17.1432 -17.1432 -17.1422 -17.1422 -17.1347 -17.1347 -17.1262 -17.1262 -12.1894 -12.1894 -6.1002 -6.1002 -5.9119 -5.9119 -0.0412 -0.0412 -0.0279 -0.0279 1.7287 1.7287 2.6424 2.6424 2.9020 2.9020 2.9253 2.9253 3.1061 3.1061 3.4517 3.4517 3.7577 3.7577 5.5604 5.5604 5.6659 5.6659 6.4943 6.4943 6.5045 6.5045 6.8327 6.8327 6.9644 6.9644 7.0554 7.0554 7.5739 7.5739 7.8497 7.8497 8.1376 8.1376 10.1184 10.1184 k = 0.0000 0.0000 1.2327 ( 7718 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3132 -17.3132 -17.1432 -17.1432 -17.1423 -17.1423 -17.1346 -17.1346 -17.1263 -17.1263 -12.1863 -12.1863 -6.0948 -6.0948 -5.9102 -5.9102 -0.0549 -0.0549 -0.0437 -0.0437 1.7345 1.7345 2.6447 2.6447 2.9018 2.9018 2.9180 2.9180 3.1069 3.1069 3.4374 3.4374 3.7498 3.7498 5.5572 5.5572 5.6586 5.6586 6.4953 6.4953 6.5077 6.5077 6.8482 6.8482 6.9664 6.9664 7.0633 7.0633 7.5728 7.5728 7.8409 7.8409 8.1471 8.1471 10.0882 10.0882 k = 0.0000 0.0000 1.2573 ( 7722 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3133 -17.3133 -17.1432 -17.1432 -17.1425 -17.1425 -17.1346 -17.1346 -17.1264 -17.1264 -12.1838 -12.1838 -6.0904 -6.0904 -5.9088 -5.9088 -0.0671 -0.0671 -0.0559 -0.0559 1.7395 1.7395 2.6467 2.6467 2.8987 2.8987 2.9144 2.9144 3.1082 3.1082 3.4254 3.4254 3.7435 3.7435 5.5543 5.5543 5.6527 5.6527 6.4959 6.4959 6.5106 6.5106 6.8610 6.8610 6.9679 6.9679 7.0700 7.0700 7.5718 7.5718 7.8335 7.8335 8.1549 8.1549 10.0630 10.0630 k = 0.0000 0.0000 1.2820 ( 7714 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3133 -17.3133 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1264 -17.1264 -12.1818 -12.1818 -6.0870 -6.0870 -5.9077 -5.9077 -0.0773 -0.0773 -0.0648 -0.0648 1.7436 1.7436 2.6482 2.6482 2.8945 2.8945 2.9130 2.9130 3.1097 3.1097 3.4159 3.4159 3.7386 3.7386 5.5518 5.5518 5.6481 5.6481 6.4963 6.4963 6.5131 6.5131 6.8711 6.8711 6.9691 6.9691 7.0753 7.0753 7.5709 7.5709 7.8277 7.8277 8.1610 8.1610 10.0431 10.0431 k = 0.0000 0.0000 1.3066 ( 7722 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1431 -17.1431 -17.1426 -17.1426 -17.1345 -17.1345 -17.1265 -17.1265 -12.1804 -12.1804 -6.0845 -6.0845 -5.9069 -5.9069 -0.0848 -0.0848 -0.0709 -0.0709 1.7466 1.7466 2.6492 2.6492 2.8909 2.8909 2.9124 2.9124 3.1110 3.1110 3.4091 3.4091 3.7352 3.7352 5.5500 5.5500 5.6448 5.6448 6.4966 6.4966 6.5149 6.5149 6.8782 6.8782 6.9699 6.9699 7.0791 7.0791 7.5703 7.5703 7.8234 7.8234 8.1653 8.1653 10.0287 10.0287 k = 0.0000 0.0000 1.3313 ( 7724 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1427 -17.1427 -17.1345 -17.1345 -17.1265 -17.1265 -12.1796 -12.1796 -6.0830 -6.0830 -5.9065 -5.9065 -0.0894 -0.0894 -0.0746 -0.0746 1.7485 1.7485 2.6499 2.6499 2.8887 2.8887 2.9121 2.9121 3.1118 3.1118 3.4049 3.4049 3.7331 3.7331 5.5488 5.5488 5.6428 5.6428 6.4967 6.4967 6.5159 6.5159 6.8826 6.8826 6.9704 6.9704 7.0814 7.0814 7.5698 7.5698 7.8208 7.8208 8.1679 8.1679 10.0201 10.0201 k = 0.0000 0.0000 1.3559 ( 7726 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1427 -17.1427 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0910 -0.0910 -0.0758 -0.0758 1.7491 1.7491 2.6501 2.6501 2.8879 2.8879 2.9120 2.9120 3.1121 3.1121 3.4035 3.4035 3.7324 3.7324 5.5484 5.5484 5.6422 5.6422 6.4967 6.4967 6.5163 6.5163 6.8840 6.8840 6.9706 6.9706 7.0822 7.0822 7.5697 7.5697 7.8200 7.8200 8.1688 8.1688 10.0172 10.0172 k = 0.0000 0.0000 1.3559 ( 7726 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1427 -17.1427 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0910 -0.0910 -0.0758 -0.0758 1.7491 1.7491 2.6501 2.6501 2.8879 2.8879 2.9120 2.9120 3.1121 3.1121 3.4035 3.4035 3.7324 3.7324 5.5484 5.5484 5.6422 5.6422 6.4967 6.4967 6.5163 6.5163 6.8840 6.8840 6.9706 6.9706 7.0822 7.0822 7.5697 7.5697 7.8200 7.8200 8.1688 8.1688 10.0172 10.0172 k =-0.0079 0.0198 1.3559 ( 7714 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1427 -17.1427 -17.1345 -17.1345 -17.1265 -17.1265 -12.1795 -12.1795 -6.0828 -6.0828 -5.9065 -5.9065 -0.0901 -0.0901 -0.0747 -0.0747 1.7485 1.7485 2.6507 2.6507 2.8864 2.8864 2.9138 2.9138 3.1127 3.1127 3.4038 3.4038 3.7332 3.7332 5.5489 5.5489 5.6422 5.6422 6.4969 6.4969 6.5161 6.5161 6.8840 6.8840 6.9697 6.9697 7.0816 7.0816 7.5679 7.5679 7.8196 7.8196 8.1676 8.1676 10.0208 10.0208 k =-0.0157 0.0397 1.3559 ( 7708 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1430 -17.1430 -17.1426 -17.1426 -17.1345 -17.1345 -17.1265 -17.1265 -12.1801 -12.1801 -6.0837 -6.0837 -5.9072 -5.9072 -0.0874 -0.0874 -0.0714 -0.0714 1.7467 1.7467 2.6527 2.6527 2.8826 2.8826 2.9183 2.9183 3.1145 3.1145 3.4047 3.4047 3.7355 3.7355 5.5501 5.5501 5.6422 5.6422 6.4972 6.4972 6.5155 6.5155 6.8838 6.8838 6.9672 6.9672 7.0797 7.0797 7.5625 7.5625 7.8186 7.8186 8.1642 8.1642 10.0316 10.0316 k =-0.0236 0.0595 1.3559 ( 7710 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1812 -12.1812 -6.0851 -6.0851 -5.9082 -5.9082 -0.0830 -0.0830 -0.0659 -0.0659 1.7438 1.7438 2.6559 2.6559 2.8776 2.8776 2.9243 2.9243 3.1174 3.1174 3.4060 3.4060 3.7394 3.7394 5.5522 5.5522 5.6423 5.6423 6.4978 6.4978 6.5145 6.5145 6.8836 6.8836 6.9629 6.9629 7.0765 7.0765 7.5537 7.5537 7.8169 7.8169 8.1586 8.1586 10.0496 10.0496 k =-0.0315 0.0793 1.3559 ( 7702 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1826 -12.1826 -6.0870 -6.0870 -5.9097 -5.9097 -0.0770 -0.0770 -0.0581 -0.0581 1.7398 1.7398 2.6604 2.6604 2.8720 2.8720 2.9314 2.9314 3.1215 3.1215 3.4080 3.4080 3.7450 3.7450 5.5550 5.5550 5.6426 5.6426 6.4986 6.4986 6.5131 6.5131 6.8831 6.8831 6.9569 6.9569 7.0722 7.0722 7.5414 7.5414 7.8146 7.8146 8.1509 8.1509 10.0745 10.0745 k =-0.0393 0.0992 1.3559 ( 7698 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3133 -17.3133 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1845 -12.1845 -6.0896 -6.0896 -5.9116 -5.9116 -0.0693 -0.0693 -0.0482 -0.0482 1.7349 1.7349 2.6662 2.6662 2.8660 2.8660 2.9391 2.9391 3.1265 3.1265 3.4105 3.4105 3.7523 3.7523 5.5583 5.5583 5.6432 5.6432 6.4997 6.4997 6.5113 6.5113 6.8825 6.8825 6.9494 6.9494 7.0666 7.0666 7.5259 7.5259 7.8115 7.8115 8.1413 8.1413 10.1062 10.1062 k =-0.0393 0.0992 1.3559 ( 7698 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3133 -17.3133 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1845 -12.1845 -6.0896 -6.0896 -5.9116 -5.9116 -0.0693 -0.0693 -0.0482 -0.0482 1.7349 1.7349 2.6662 2.6662 2.8660 2.8660 2.9391 2.9391 3.1265 3.1265 3.4105 3.4105 3.7523 3.7523 5.5583 5.5583 5.6432 5.6432 6.4997 6.4997 6.5113 6.5113 6.8825 6.8825 6.9494 6.9494 7.0666 7.0666 7.5259 7.5259 7.8115 7.8115 8.1413 8.1413 10.1062 10.1062 k =-0.0457 0.1153 1.3386 ( 7706 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3134 -17.3134 -17.1432 -17.1432 -17.1423 -17.1423 -17.1344 -17.1344 -17.1265 -17.1265 -12.1865 -12.1865 -6.0923 -6.0923 -5.9136 -5.9136 -0.0617 -0.0617 -0.0373 -0.0373 1.7299 1.7299 2.6712 2.6712 2.8615 2.8615 2.9460 2.9460 3.1312 3.1312 3.4136 3.4136 3.7598 3.7598 5.5615 5.5615 5.6443 5.6443 6.5007 6.5007 6.5094 6.5094 6.8811 6.8811 6.9422 6.9422 7.0608 7.0608 7.5112 7.5112 7.8088 7.8088 8.1320 8.1320 10.1380 10.1380 k =-0.0521 0.1314 1.3212 ( 7712 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3134 -17.3134 -17.1432 -17.1432 -17.1422 -17.1422 -17.1343 -17.1343 -17.1265 -17.1265 -12.1890 -12.1890 -6.0958 -6.0958 -5.9159 -5.9159 -0.0531 -0.0531 -0.0222 -0.0222 1.7239 1.7239 2.6755 2.6755 2.8588 2.8588 2.9532 2.9532 3.1363 3.1363 3.4184 3.4184 3.7691 3.7691 5.5653 5.5653 5.6464 5.6464 6.5018 6.5018 6.5068 6.5068 6.8781 6.8781 6.9338 6.9338 7.0537 7.0537 7.4950 7.4950 7.8060 7.8060 8.1214 8.1214 10.1767 10.1767 k =-0.0585 0.1476 1.3039 ( 7711 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3163 -17.3163 -17.3133 -17.3133 -17.1433 -17.1433 -17.1421 -17.1421 -17.1343 -17.1343 -17.1265 -17.1265 -12.1920 -12.1920 -6.1000 -6.1000 -5.9187 -5.9187 -0.0437 -0.0437 -0.0030 -0.0030 1.7168 1.7168 2.6780 2.6780 2.8587 2.8587 2.9609 2.9609 3.1421 3.1421 3.4250 3.4250 3.7803 3.7803 5.5695 5.5695 5.6495 5.6495 6.5017 6.5017 6.5048 6.5048 6.8736 6.8736 6.9245 6.9245 7.0452 7.0452 7.4773 7.4773 7.8029 7.8029 8.1098 8.1098 10.2219 10.2219 k =-0.0649 0.1637 1.2865 ( 7715 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3163 -17.3163 -17.3133 -17.3133 -17.1433 -17.1433 -17.1420 -17.1420 -17.1342 -17.1342 -17.1265 -17.1265 -12.1955 -12.1955 -6.1051 -6.1051 -5.9218 -5.9218 -0.0335 -0.0335 0.0201 0.0201 1.7088 1.7088 2.6779 2.6779 2.8617 2.8617 2.9690 2.9690 3.1485 3.1485 3.4333 3.4333 3.7932 3.7932 5.5741 5.5741 5.6536 5.6536 6.4979 6.4979 6.5060 6.5060 6.8676 6.8676 6.9143 6.9143 7.0356 7.0356 7.4586 7.4586 7.7990 7.7990 8.0977 8.0977 10.2733 10.2733 k =-0.0713 0.1798 1.2692 ( 7727 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3163 -17.3163 -17.3133 -17.3133 -17.1434 -17.1434 -17.1419 -17.1419 -17.1342 -17.1342 -17.1265 -17.1265 -12.1995 -12.1995 -6.1108 -6.1108 -5.9253 -5.9253 -0.0222 -0.0222 0.0470 0.0470 1.6998 1.6998 2.6745 2.6745 2.8683 2.8683 2.9779 2.9779 3.1559 3.1559 3.4433 3.4433 3.8078 3.8078 5.5790 5.5790 5.6588 5.6588 6.4924 6.4924 6.5082 6.5082 6.8600 6.8600 6.9033 6.9033 7.0249 7.0249 7.4390 7.4390 7.7938 7.7938 8.0858 8.0858 10.3306 10.3306 k =-0.0777 0.1959 1.2518 ( 7739 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3163 -17.3163 -17.3133 -17.3133 -17.1434 -17.1434 -17.1418 -17.1418 -17.1342 -17.1342 -17.1265 -17.1265 -12.2038 -12.2038 -6.1172 -6.1172 -5.9291 -5.9291 -0.0101 -0.0101 0.0774 0.0774 1.6901 1.6901 2.6676 2.6676 2.8777 2.8777 2.9880 2.9880 3.1642 3.1642 3.4551 3.4551 3.8240 3.8240 5.5840 5.5840 5.6651 5.6651 6.4857 6.4857 6.5110 6.5110 6.8510 6.8510 6.8916 6.8916 7.0134 7.0134 7.4188 7.4188 7.7867 7.7867 8.0746 8.0746 10.3934 10.3934 k =-0.0841 0.2121 1.2345 ( 7743 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3162 -17.3162 -17.3133 -17.3133 -17.1434 -17.1434 -17.1417 -17.1417 -17.1342 -17.1342 -17.1265 -17.1265 -12.2086 -12.2086 -6.1242 -6.1242 -5.9332 -5.9332 0.0029 0.0029 0.1111 0.1111 1.6796 1.6796 2.6574 2.6574 2.8887 2.8887 3.0005 3.0005 3.1737 3.1737 3.4685 3.4685 3.8419 3.8419 5.5892 5.5892 5.6724 5.6724 6.4776 6.4776 6.5145 6.5145 6.8404 6.8404 6.8793 6.8793 7.0012 7.0012 7.3982 7.3982 7.7771 7.7771 8.0646 8.0646 10.4615 10.4615 k =-0.0905 0.2282 1.2171 ( 7735 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3161 -17.3161 -17.3132 -17.3132 -17.1434 -17.1434 -17.1416 -17.1416 -17.1341 -17.1341 -17.1264 -17.1264 -12.2138 -12.2138 -6.1317 -6.1317 -5.9376 -5.9376 0.0167 0.0167 0.1481 0.1481 1.6685 1.6685 2.6444 2.6444 2.8993 2.8993 3.0164 3.0164 3.1844 3.1844 3.4835 3.4835 3.8612 3.8612 5.5945 5.5945 5.6807 5.6807 6.4681 6.4681 6.5187 6.5187 6.8285 6.8285 6.8667 6.8667 6.9886 6.9886 7.3774 7.3774 7.7645 7.7645 8.0564 8.0564 10.5345 10.5345 k =-0.0969 0.2443 1.1998 ( 7732 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3160 -17.3160 -17.3132 -17.3132 -17.1434 -17.1434 -17.1414 -17.1414 -17.1340 -17.1340 -17.1264 -17.1264 -12.2193 -12.2193 -6.1398 -6.1398 -5.9423 -5.9423 0.0312 0.0312 0.1881 0.1881 1.6568 1.6568 2.6292 2.6292 2.9079 2.9079 3.0372 3.0372 3.1964 3.1964 3.5001 3.5001 3.8818 3.8818 5.6000 5.6000 5.6899 5.6899 6.4569 6.4569 6.5239 6.5239 6.8151 6.8151 6.8537 6.8537 6.9757 6.9757 7.3567 7.3567 7.7484 7.7484 8.0501 8.0501 10.6120 10.6120 k =-0.1033 0.2605 1.1824 ( 7732 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3160 -17.3160 -17.3131 -17.3131 -17.1434 -17.1434 -17.1413 -17.1413 -17.1340 -17.1340 -17.1264 -17.1264 -12.2251 -12.2251 -6.1482 -6.1482 -5.9471 -5.9471 0.0463 0.0463 0.2310 0.2310 1.6447 1.6447 2.6121 2.6121 2.9134 2.9134 3.0631 3.0631 3.2097 3.2097 3.5182 3.5182 3.9037 3.9037 5.6057 5.6057 5.6999 5.6999 6.4441 6.4441 6.5301 6.5301 6.8005 6.8005 6.8404 6.8404 6.9627 6.9627 7.3363 7.3363 7.7287 7.7287 8.0458 8.0458 10.6917 10.6917 k =-0.1097 0.2766 1.1651 ( 7730 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3159 -17.3159 -17.3131 -17.3131 -17.1434 -17.1434 -17.1412 -17.1412 -17.1339 -17.1339 -17.1263 -17.1263 -12.2312 -12.2312 -6.1571 -6.1571 -5.9522 -5.9522 0.0618 0.0618 0.2767 0.2767 1.6322 1.6322 2.5936 2.5936 2.9157 2.9157 3.0938 3.0938 3.2244 3.2244 3.5376 3.5376 3.9265 3.9265 5.6116 5.6116 5.7106 5.7106 6.4295 6.4295 6.5376 6.5376 6.7847 6.7847 6.8269 6.8269 6.9498 6.9498 7.3163 7.3163 7.7054 7.7054 8.0433 8.0433 10.6433 10.6433 k =-0.1161 0.2927 1.1477 ( 7732 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3159 -17.3159 -17.3130 -17.3130 -17.1434 -17.1434 -17.1411 -17.1411 -17.1339 -17.1339 -17.1263 -17.1263 -12.2375 -12.2375 -6.1662 -6.1662 -5.9574 -5.9574 0.0777 0.0777 0.3249 0.3249 1.6194 1.6194 2.5739 2.5739 2.9154 2.9154 3.1282 3.1282 3.2409 3.2409 3.5584 3.5584 3.9502 3.9502 5.6177 5.6177 5.7221 5.7221 6.4131 6.4131 6.5464 6.5464 6.7678 6.7678 6.8133 6.8133 6.9373 6.9373 7.2969 7.2969 7.6787 7.6787 8.0420 8.0420 10.5723 10.5723 k =-0.1225 0.3088 1.1304 ( 7734 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3158 -17.3158 -17.3130 -17.3130 -17.1433 -17.1433 -17.1410 -17.1410 -17.1338 -17.1338 -17.1262 -17.1262 -12.2439 -12.2439 -6.1756 -6.1756 -5.9628 -5.9628 0.0938 0.0938 0.3754 0.3754 1.6065 1.6065 2.5533 2.5533 2.9129 2.9129 3.1649 3.1649 3.2597 3.2597 3.5805 3.5805 3.9744 3.9744 5.6241 5.6241 5.7343 5.7343 6.3949 6.3949 6.5569 6.5569 6.7499 6.7499 6.7995 6.7995 6.9253 6.9253 7.2784 7.2784 7.6489 7.6489 8.0414 8.0414 10.5006 10.5006 k =-0.1289 0.3250 1.1130 ( 7735 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3157 -17.3157 -17.3129 -17.3129 -17.1433 -17.1433 -17.1409 -17.1409 -17.1337 -17.1337 -17.1261 -17.1261 -12.2505 -12.2505 -6.1852 -6.1852 -5.9682 -5.9682 0.1099 0.1099 0.4282 0.4282 1.5934 1.5934 2.5319 2.5319 2.9088 2.9088 3.2014 3.2014 3.2825 3.2825 3.6036 3.6036 3.9990 3.9990 5.6308 5.6308 5.7471 5.7471 6.3749 6.3749 6.5690 6.5690 6.7313 6.7313 6.7855 6.7855 6.9139 6.9139 7.2607 7.2607 7.6163 7.6163 8.0410 8.0410 10.4289 10.4289 k =-0.1353 0.3411 1.0957 ( 7733 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3156 -17.3156 -17.3129 -17.3129 -17.1433 -17.1433 -17.1408 -17.1408 -17.1336 -17.1336 -17.1261 -17.1261 -12.2572 -12.2572 -6.1949 -6.1949 -5.9737 -5.9737 0.1261 0.1261 0.4829 0.4829 1.5803 1.5803 2.5100 2.5100 2.9033 2.9033 3.2347 3.2347 3.3118 3.3118 3.6278 3.6278 4.0237 4.0237 5.6378 5.6378 5.7606 5.7606 6.3532 6.3532 6.5828 6.5828 6.7120 6.7120 6.7714 6.7714 6.9033 6.9033 7.2441 7.2441 7.5811 7.5811 8.0402 8.0402 10.3578 10.3578 k =-0.1417 0.3572 1.0783 ( 7730 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3156 -17.3156 -17.3128 -17.3128 -17.1433 -17.1433 -17.1407 -17.1407 -17.1334 -17.1334 -17.1260 -17.1260 -12.2639 -12.2639 -6.2046 -6.2046 -5.9792 -5.9792 0.1420 0.1420 0.5393 0.5393 1.5672 1.5672 2.4876 2.4876 2.8969 2.8969 3.2622 3.2622 3.3495 3.3495 3.6528 3.6528 4.0482 4.0482 5.6451 5.6451 5.7748 5.7748 6.3300 6.3300 6.5983 6.5983 6.6923 6.6923 6.7573 6.7573 6.8934 6.8934 7.2286 7.2286 7.5437 7.5437 8.0383 8.0383 10.2879 10.2879 k =-0.1481 0.3733 1.0610 ( 7728 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3155 -17.3155 -17.3127 -17.3127 -17.1432 -17.1432 -17.1407 -17.1407 -17.1333 -17.1333 -17.1259 -17.1259 -12.2706 -12.2706 -6.2143 -6.2143 -5.9847 -5.9847 0.1578 0.1578 0.5972 0.5972 1.5543 1.5543 2.4648 2.4648 2.8897 2.8897 3.2848 3.2848 3.3944 3.3944 3.6786 3.6786 4.0723 4.0723 5.6529 5.6529 5.7898 5.7898 6.3053 6.3053 6.6145 6.6145 6.6731 6.6731 6.7433 6.7433 6.8844 6.8844 7.2144 7.2144 7.5043 7.5043 8.0350 8.0350 10.2196 10.2196 k =-0.1545 0.3895 1.0436 ( 7724 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3154 -17.3154 -17.3127 -17.3127 -17.1432 -17.1432 -17.1406 -17.1406 -17.1332 -17.1332 -17.1258 -17.1258 -12.2773 -12.2773 -6.2239 -6.2239 -5.9902 -5.9902 0.1731 0.1731 0.6564 0.6564 1.5415 1.5415 2.4416 2.4416 2.8820 2.8820 3.3043 3.3043 3.4440 3.4440 3.7049 3.7049 4.0956 4.0956 5.6612 5.6612 5.8054 5.8054 6.2795 6.2795 6.6261 6.6261 6.6596 6.6596 6.7298 6.7298 6.8762 6.8762 7.2017 7.2017 7.4632 7.4632 8.0297 8.0297 10.1534 10.1534 k =-0.1609 0.4056 1.0263 ( 7716 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3154 -17.3154 -17.3126 -17.3126 -17.1431 -17.1431 -17.1406 -17.1406 -17.1330 -17.1330 -17.1257 -17.1257 -12.2839 -12.2839 -6.2334 -6.2334 -5.9955 -5.9955 0.1880 0.1880 0.7166 0.7166 1.5291 1.5291 2.4182 2.4182 2.8739 2.8739 3.3222 3.3222 3.4965 3.4965 3.7318 3.7318 4.1181 4.1181 5.6701 5.6701 5.8218 5.8218 6.2527 6.2527 6.6173 6.6173 6.6664 6.6664 6.7180 6.7180 6.8688 6.8688 7.1905 7.1905 7.4205 7.4205 8.0222 8.0222 10.0898 10.0898 k =-0.1673 0.4217 1.0089 ( 7711 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3153 -17.3153 -17.3125 -17.3125 -17.1431 -17.1431 -17.1405 -17.1405 -17.1328 -17.1328 -17.1257 -17.1257 -12.2904 -12.2904 -6.2426 -6.2426 -6.0008 -6.0008 0.2024 0.2024 0.7774 0.7774 1.5169 1.5169 2.3946 2.3946 2.8656 2.8656 3.3389 3.3389 3.5507 3.5507 3.7590 3.7590 4.1393 4.1393 5.6796 5.6796 5.8390 5.8390 6.2252 6.2252 6.5969 6.5969 6.6782 6.6782 6.7143 6.7143 6.8623 6.8623 7.1809 7.1809 7.3767 7.3767 8.0121 8.0121 10.0292 10.0292 k =-0.1737 0.4379 0.9916 ( 7717 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3152 -17.3152 -17.3125 -17.3125 -17.1431 -17.1431 -17.1405 -17.1405 -17.1327 -17.1327 -17.1256 -17.1256 -12.2967 -12.2967 -6.2516 -6.2516 -6.0059 -6.0059 0.2162 0.2162 0.8387 0.8387 1.5052 1.5052 2.3707 2.3707 2.8572 2.8572 3.3549 3.3549 3.6058 3.6058 3.7864 3.7864 4.1592 4.1592 5.6900 5.6900 5.8569 5.8569 6.1972 6.1972 6.5739 6.5739 6.6750 6.6750 6.7296 6.7296 6.8566 6.8566 7.1732 7.1732 7.3318 7.3318 7.9994 7.9994 9.9719 9.9719 k =-0.1801 0.4540 0.9742 ( 7715 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3152 -17.3152 -17.3124 -17.3124 -17.1430 -17.1430 -17.1405 -17.1405 -17.1326 -17.1326 -17.1255 -17.1255 -12.3028 -12.3028 -6.2603 -6.2603 -6.0108 -6.0108 0.2293 0.2293 0.9001 0.9001 1.4940 1.4940 2.3467 2.3467 2.8488 2.8488 3.3701 3.3701 3.6612 3.6612 3.8139 3.8139 4.1777 4.1777 5.7014 5.7014 5.8755 5.8755 6.1691 6.1691 6.5496 6.5496 6.6639 6.6639 6.7549 6.7549 6.8518 6.8518 7.1675 7.1675 7.2864 7.2864 7.9840 7.9840 9.9183 9.9183 k =-0.1865 0.4701 0.9569 ( 7713 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3151 -17.3151 -17.3124 -17.3124 -17.1430 -17.1430 -17.1405 -17.1405 -17.1324 -17.1324 -17.1255 -17.1255 -12.3086 -12.3086 -6.2687 -6.2687 -6.0156 -6.0156 0.2417 0.2417 0.9612 0.9612 1.4832 1.4832 2.3225 2.3225 2.8405 2.8405 3.3847 3.3847 3.7160 3.7160 3.8414 3.8414 4.1945 4.1945 5.7139 5.7139 5.8948 5.8948 6.1412 6.1412 6.5243 6.5243 6.6514 6.6514 6.7825 6.7825 6.8484 6.8484 7.1639 7.1639 7.2408 7.2408 7.9659 7.9659 9.8686 9.8686 k =-0.1929 0.4862 0.9395 ( 7709 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3151 -17.3151 -17.3123 -17.3123 -17.1430 -17.1430 -17.1405 -17.1405 -17.1322 -17.1322 -17.1254 -17.1254 -12.3142 -12.3142 -6.2766 -6.2766 -6.0201 -6.0201 0.2533 0.2533 1.0218 1.0218 1.4731 1.4731 2.2981 2.2981 2.8325 2.8325 3.3986 3.3986 3.7694 3.7694 3.8689 3.8689 4.2096 4.2096 5.7278 5.7278 5.9146 5.9146 6.1137 6.1137 6.4980 6.4980 6.6388 6.6388 6.8085 6.8085 6.8483 6.8483 7.1612 7.1612 7.1971 7.1971 7.9456 7.9456 9.8230 9.8230 k =-0.1993 0.5024 0.9222 ( 7703 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3150 -17.3150 -17.3122 -17.3122 -17.1429 -17.1429 -17.1405 -17.1405 -17.1321 -17.1321 -17.1253 -17.1253 -12.3194 -12.3194 -6.2840 -6.2840 -6.0243 -6.0243 0.2641 0.2641 1.0814 1.0814 1.4636 1.4636 2.2735 2.2735 2.8247 2.8247 3.4118 3.4118 3.8206 3.8206 3.8966 3.8966 4.2230 4.2230 5.7433 5.7433 5.9348 5.9348 6.0870 6.0870 6.4708 6.4708 6.6266 6.6266 6.8240 6.8240 6.8587 6.8587 7.1408 7.1408 7.1747 7.1747 7.9233 7.9233 9.7815 9.7815 k =-0.2057 0.5185 0.9048 ( 7711 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3150 -17.3150 -17.3122 -17.3122 -17.1429 -17.1429 -17.1405 -17.1405 -17.1320 -17.1320 -17.1253 -17.1253 -12.3243 -12.3243 -6.2909 -6.2909 -6.0283 -6.0283 0.2740 0.2740 1.1397 1.1397 1.4547 1.4547 2.2489 2.2489 2.8174 2.8174 3.4242 3.4242 3.8679 3.8679 3.9250 3.9250 4.2348 4.2348 5.7604 5.7604 5.9551 5.9551 6.0614 6.0614 6.4427 6.4427 6.6151 6.6151 6.8266 6.8266 6.8807 6.8807 7.0984 7.0984 7.1789 7.1789 7.8995 7.8995 9.7441 9.7441 k =-0.2121 0.5346 0.8875 ( 7707 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3149 -17.3149 -17.3122 -17.3122 -17.1428 -17.1428 -17.1405 -17.1405 -17.1318 -17.1318 -17.1252 -17.1252 -12.3289 -12.3289 -6.2973 -6.2973 -6.0319 -6.0319 0.2830 0.2830 1.1961 1.1961 1.4466 1.4466 2.2243 2.2243 2.8105 2.8105 3.4358 3.4358 3.9091 3.9091 3.9558 3.9558 4.2450 4.2450 5.7793 5.7793 5.9749 5.9749 6.0377 6.0377 6.4135 6.4135 6.6044 6.6044 6.8254 6.8254 6.9038 6.9038 7.0545 7.0545 7.1901 7.1901 7.8748 7.8748 9.7109 9.7109 k =-0.2185 0.5508 0.8701 ( 7703 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3149 -17.3149 -17.3121 -17.3121 -17.1428 -17.1428 -17.1405 -17.1405 -17.1317 -17.1317 -17.1251 -17.1251 -12.3330 -12.3330 -6.3031 -6.3031 -6.0353 -6.0353 0.2911 0.2911 1.2502 1.2502 1.4392 1.4392 2.1999 2.1999 2.8041 2.8041 3.4464 3.4464 3.9423 3.9423 3.9897 3.9897 4.2538 4.2538 5.8001 5.8001 5.9915 5.9915 6.0187 6.0187 6.3835 6.3835 6.5949 6.5949 6.8235 6.8235 6.9240 6.9240 7.0118 7.0118 7.2062 7.2062 7.8500 7.8500 9.6816 9.6816 k =-0.2249 0.5669 0.8528 ( 7698 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3121 -17.3121 -17.1428 -17.1428 -17.1406 -17.1406 -17.1315 -17.1315 -17.1251 -17.1251 -12.3367 -12.3367 -6.3084 -6.3084 -6.0382 -6.0382 0.2983 0.2983 1.3015 1.3015 1.4326 1.4326 2.1758 2.1758 2.7984 2.7984 3.4560 3.4560 3.9686 3.9686 4.0249 4.0249 4.2613 4.2613 5.8228 5.8228 5.9875 5.9875 6.0217 6.0217 6.3526 6.3526 6.5866 6.5866 6.8216 6.8216 6.9392 6.9392 6.9721 6.9721 7.2263 7.2263 7.8258 7.8258 9.6563 9.6563 k =-0.2313 0.5830 0.8354 ( 7704 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3121 -17.3121 -17.1427 -17.1427 -17.1406 -17.1406 -17.1315 -17.1315 -17.1251 -17.1251 -12.3400 -12.3400 -6.3129 -6.3129 -6.0408 -6.0408 0.3045 0.3045 1.3491 1.3491 1.4269 1.4269 2.1524 2.1524 2.7933 2.7933 3.4645 3.4645 3.9902 3.9902 4.0581 4.0581 4.2677 4.2677 5.8471 5.8471 5.9711 5.9711 6.0383 6.0383 6.3212 6.3212 6.5796 6.5796 6.8197 6.8197 6.9282 6.9282 6.9572 6.9572 7.2491 7.2491 7.8030 7.8030 9.6347 9.6347 k =-0.2377 0.5991 0.8181 ( 7707 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3121 -17.3121 -17.1427 -17.1427 -17.1406 -17.1406 -17.1314 -17.1314 -17.1250 -17.1250 -12.3428 -12.3428 -6.3168 -6.3168 -6.0431 -6.0431 0.3098 0.3098 1.3924 1.3924 1.4220 1.4220 2.1302 2.1302 2.7888 2.7888 3.4719 3.4719 4.0084 4.0084 4.0874 4.0874 4.2732 4.2732 5.8726 5.8726 5.9558 5.9558 6.0549 6.0549 6.2896 6.2896 6.5742 6.5742 6.8181 6.8181 6.8947 6.8947 6.9648 6.9648 7.2727 7.2727 7.7822 7.7822 9.6168 9.6168 k =-0.2441 0.6153 0.8007 ( 7703 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3121 -17.3121 -17.1427 -17.1427 -17.1406 -17.1406 -17.1313 -17.1313 -17.1250 -17.1250 -12.3451 -12.3451 -6.3201 -6.3201 -6.0449 -6.0449 0.3142 0.3142 1.4177 1.4177 1.4306 1.4306 2.1100 2.1100 2.7851 2.7851 3.4780 3.4780 4.0235 4.0235 4.1116 4.1116 4.2780 4.2780 5.8977 5.8977 5.9439 5.9439 6.0695 6.0695 6.2586 6.2586 6.5703 6.5703 6.8167 6.8167 6.8640 6.8640 6.9712 6.9712 7.2952 7.2952 7.7642 7.7642 9.6023 9.6023 k =-0.2505 0.6314 0.7834 ( 7711 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3121 -17.3121 -17.1427 -17.1427 -17.1407 -17.1407 -17.1313 -17.1313 -17.1250 -17.1250 -12.3469 -12.3469 -6.3226 -6.3226 -6.0464 -6.0464 0.3176 0.3176 1.4146 1.4146 1.4620 1.4620 2.0925 2.0925 2.7822 2.7822 3.4829 3.4829 4.0355 4.0355 4.1305 4.1305 4.2820 4.2820 5.9161 5.9161 5.9413 5.9413 6.0811 6.0811 6.2296 6.2296 6.5677 6.5677 6.8153 6.8153 6.8386 6.8386 6.9756 6.9756 7.3148 7.3148 7.7495 7.7495 9.5911 9.5911 k =-0.2569 0.6475 0.7660 ( 7717 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3121 -17.3121 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1250 -17.1250 -12.3482 -12.3482 -6.3244 -6.3244 -6.0474 -6.0474 0.3200 0.3200 1.4123 1.4123 1.4858 1.4858 2.0788 2.0788 2.7802 2.7802 3.4864 3.4864 4.0443 4.0443 4.1437 4.1437 4.2852 4.2852 5.9168 5.9168 5.9569 5.9569 6.0888 6.0888 6.2048 6.2048 6.5663 6.5663 6.8126 6.8126 6.8210 6.8210 6.9784 6.9784 7.3300 7.3300 7.7387 7.7387 9.5833 9.5833 k =-0.2633 0.6636 0.7487 ( 7713 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3148 -17.3148 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1250 -17.1250 -12.3490 -12.3490 -6.3255 -6.3255 -6.0481 -6.0481 0.3214 0.3214 1.4110 1.4110 1.5007 1.5007 2.0701 2.0701 2.7789 2.7789 3.4885 3.4885 4.0496 4.0496 4.1515 4.1515 4.2873 4.2873 5.9136 5.9136 5.9734 5.9734 6.0923 6.0923 6.1877 6.1877 6.5656 6.5656 6.8046 6.8046 6.8162 6.8162 6.9800 6.9800 7.3396 7.3396 7.7320 7.7320 9.5786 9.5786 k =-0.2697 0.6798 0.7313 ( 7712 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3147 -17.3147 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1250 -17.1250 -12.3492 -12.3492 -6.3259 -6.3259 -6.0483 -6.0483 0.3219 0.3219 1.4105 1.4105 1.5058 1.5058 2.0670 2.0670 2.7785 2.7785 3.4892 3.4892 4.0514 4.0514 4.1541 4.1541 4.2880 4.2880 5.9123 5.9123 5.9800 5.9800 6.0931 6.0931 6.1817 6.1817 6.5653 6.5653 6.8008 6.8008 6.8157 6.8157 6.9805 6.9805 7.3429 7.3429 7.7298 7.7298 9.5770 9.5770 k =-0.2697 0.6798 0.7313 ( 7712 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3147 -17.3147 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1250 -17.1250 -12.3492 -12.3492 -6.3259 -6.3259 -6.0483 -6.0483 0.3219 0.3219 1.4105 1.4105 1.5058 1.5058 2.0670 2.0670 2.7785 2.7785 3.4892 3.4892 4.0514 4.0514 4.1541 4.1541 4.2880 4.2880 5.9123 5.9123 5.9800 5.9800 6.0931 6.0931 6.1817 6.1817 6.5653 6.5653 6.8008 6.8008 6.8157 6.8157 6.9805 6.9805 7.3429 7.3429 7.7298 7.7298 9.5770 9.5770 k =-0.2633 0.6636 0.7139 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3149 -17.3149 -17.3120 -17.3120 -17.1428 -17.1428 -17.1408 -17.1408 -17.1313 -17.1313 -17.1248 -17.1248 -12.3478 -12.3478 -6.3267 -6.3267 -6.0433 -6.0433 0.3115 0.3115 1.4009 1.4009 1.5047 1.5047 2.0671 2.0671 2.7588 2.7588 3.5225 3.5225 4.0492 4.0492 4.1496 4.1496 4.2668 4.2668 5.9094 5.9094 5.9889 5.9889 6.0863 6.0863 6.1959 6.1959 6.5544 6.5544 6.7993 6.7993 6.8260 6.8260 7.0048 7.0048 7.3394 7.3394 7.7159 7.7159 9.5947 9.5947 k =-0.2568 0.6474 0.6965 ( 7728 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3151 -17.3151 -17.3119 -17.3119 -17.1428 -17.1428 -17.1409 -17.1409 -17.1314 -17.1314 -17.1246 -17.1246 -12.3469 -12.3469 -6.3283 -6.3283 -6.0390 -6.0390 0.3040 0.3040 1.3943 1.3943 1.5040 1.5040 2.0717 2.0717 2.7376 2.7376 3.5571 3.5571 4.0452 4.0452 4.1439 4.1439 4.2492 4.2492 5.9076 5.9076 5.9973 5.9973 6.0796 6.0796 6.2067 6.2067 6.5471 6.5471 6.7966 6.7966 6.8330 6.8330 7.0285 7.0285 7.3359 7.3359 7.7009 7.7009 9.6168 9.6168 k =-0.2504 0.6312 0.6791 ( 7730 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3117 -17.3117 -17.1428 -17.1428 -17.1409 -17.1409 -17.1316 -17.1316 -17.1245 -17.1245 -12.3465 -12.3465 -6.3305 -6.3305 -6.0354 -6.0354 0.2994 0.2994 1.3907 1.3907 1.5038 1.5038 2.0811 2.0811 2.7149 2.7149 3.5928 3.5928 4.0393 4.0393 4.1365 4.1365 4.2357 4.2357 5.9070 5.9070 6.0039 6.0039 6.0751 6.0751 6.2123 6.2123 6.5442 6.5442 6.7930 6.7930 6.8368 6.8368 7.0512 7.0512 7.3322 7.3322 7.6850 7.6850 9.6430 9.6430 k =-0.2440 0.6150 0.6617 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3154 -17.3154 -17.3116 -17.3116 -17.1429 -17.1429 -17.1408 -17.1408 -17.1317 -17.1317 -17.1243 -17.1243 -12.3468 -12.3468 -6.3334 -6.3334 -6.0325 -6.0325 0.2979 0.2979 1.3900 1.3900 1.5040 1.5040 2.0954 2.0954 2.6907 2.6907 3.6294 3.6294 4.0317 4.0317 4.1274 4.1274 4.2267 4.2267 5.9077 5.9077 6.0071 6.0071 6.0745 6.0745 6.2119 6.2119 6.5462 6.5462 6.7885 6.7885 6.8378 6.8378 7.0722 7.0722 7.3284 7.3284 7.6684 7.6684 9.6731 9.6731 k =-0.2376 0.5989 0.6443 ( 7724 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3155 -17.3155 -17.3114 -17.3114 -17.1429 -17.1429 -17.1408 -17.1408 -17.1318 -17.1318 -17.1242 -17.1242 -12.3477 -12.3477 -6.3369 -6.3369 -6.0304 -6.0304 0.2993 0.2993 1.3923 1.3923 1.5047 1.5047 2.1147 2.1147 2.6648 2.6648 3.6666 3.6666 4.0226 4.0226 4.1170 4.1170 4.2217 4.2217 5.9096 5.9096 6.0060 6.0060 6.0786 6.0786 6.2060 6.2060 6.5528 6.5528 6.7830 6.7830 6.8359 6.8359 7.0912 7.0912 7.3244 7.3244 7.6512 7.6512 9.7068 9.7068 k =-0.2311 0.5827 0.6268 ( 7718 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3156 -17.3156 -17.3112 -17.3112 -17.1429 -17.1429 -17.1407 -17.1407 -17.1320 -17.1320 -17.1240 -17.1240 -12.3492 -12.3492 -6.3411 -6.3411 -6.0291 -6.0291 0.3038 0.3038 1.3976 1.3976 1.5058 1.5058 2.1389 2.1389 2.6375 2.6375 3.7040 3.7040 4.0129 4.0129 4.1059 4.1059 4.2199 4.2199 5.9126 5.9126 6.0012 6.0012 6.0863 6.0863 6.1954 6.1954 6.5635 6.5635 6.7767 6.7767 6.8315 6.8315 7.1079 7.1079 7.3204 7.3204 7.6336 7.6336 9.7438 9.7438 k =-0.2247 0.5665 0.6094 ( 7708 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3157 -17.3157 -17.3110 -17.3110 -17.1429 -17.1429 -17.1406 -17.1406 -17.1321 -17.1321 -17.1238 -17.1238 -12.3512 -12.3512 -6.3460 -6.3460 -6.0285 -6.0285 0.3112 0.3112 1.4058 1.4058 1.5073 1.5073 2.1681 2.1681 2.6088 2.6088 3.7407 3.7407 4.0036 4.0036 4.0944 4.0944 4.2207 4.2207 5.9166 5.9166 5.9942 5.9942 6.0946 6.0946 6.1825 6.1825 6.5774 6.5774 6.7695 6.7695 6.8246 6.8246 7.1220 7.1220 7.3163 7.3163 7.6156 7.6156 9.7837 9.7837 k =-0.2183 0.5503 0.5920 ( 7704 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3158 -17.3158 -17.3108 -17.3108 -17.1428 -17.1428 -17.1404 -17.1404 -17.1323 -17.1323 -17.1236 -17.1236 -12.3538 -12.3538 -6.3514 -6.3514 -6.0285 -6.0285 0.3217 0.3217 1.4169 1.4169 1.5093 1.5093 2.2022 2.2022 2.5789 2.5789 3.7753 3.7753 3.9964 3.9964 4.0828 4.0828 4.2237 4.2237 5.9216 5.9216 5.9860 5.9860 6.0990 6.0990 6.1716 6.1716 6.5934 6.5934 6.7616 6.7616 6.8153 6.8153 7.1335 7.1335 7.3120 7.3120 7.5974 7.5974 9.8260 9.8260 k =-0.2119 0.5341 0.5746 ( 7702 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3159 -17.3159 -17.3106 -17.3106 -17.1428 -17.1428 -17.1403 -17.1403 -17.1324 -17.1324 -17.1235 -17.1235 -12.3569 -12.3569 -6.3574 -6.3574 -6.0293 -6.0293 0.3351 0.3351 1.4308 1.4308 1.5117 1.5117 2.2409 2.2409 2.5482 2.5482 3.8055 3.8055 3.9942 3.9942 4.0710 4.0710 4.2284 4.2284 5.9271 5.9271 5.9773 5.9773 6.0931 6.0931 6.1692 6.1692 6.6109 6.6109 6.7528 6.7528 6.8040 6.8040 7.1422 7.1422 7.3077 7.3077 7.5790 7.5790 9.8702 9.8702 k =-0.2055 0.5179 0.5572 ( 7712 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3160 -17.3160 -17.3104 -17.3104 -17.1428 -17.1428 -17.1401 -17.1401 -17.1326 -17.1326 -17.1233 -17.1233 -12.3605 -12.3605 -6.3640 -6.3640 -6.0308 -6.0308 0.3515 0.3515 1.4474 1.4474 1.5145 1.5145 2.2837 2.2837 2.5172 2.5172 3.8277 3.8277 4.0004 4.0004 4.0591 4.0591 4.2348 4.2348 5.9325 5.9325 5.9690 5.9690 6.0757 6.0757 6.1769 6.1769 6.6291 6.6291 6.7434 6.7434 6.7908 6.7908 7.1480 7.1480 7.3034 7.3034 7.5604 7.5604 9.9155 9.9155 k =-0.1990 0.5017 0.5398 ( 7706 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3161 -17.3161 -17.3101 -17.3101 -17.1427 -17.1427 -17.1399 -17.1399 -17.1327 -17.1327 -17.1232 -17.1232 -12.3647 -12.3647 -6.3711 -6.3711 -6.0329 -6.0329 0.3709 0.3709 1.4667 1.4667 1.5177 1.5177 2.3291 2.3291 2.4875 2.4875 3.8395 3.8395 4.0175 4.0175 4.0473 4.0473 4.2430 4.2430 5.9360 5.9360 5.9625 5.9625 6.0516 6.0516 6.1902 6.1902 6.6473 6.6473 6.7333 6.7333 6.7761 6.7761 7.1511 7.1511 7.2989 7.2989 7.5416 7.5416 9.9606 9.9606 k =-0.1926 0.4856 0.5224 ( 7714 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3162 -17.3162 -17.3099 -17.3099 -17.1427 -17.1427 -17.1397 -17.1397 -17.1328 -17.1328 -17.1231 -17.1231 -12.3693 -12.3693 -6.3787 -6.3787 -6.0357 -6.0357 0.3931 0.3931 1.4885 1.4885 1.5213 1.5213 2.3705 2.3705 2.4658 2.4658 3.8415 3.8415 4.0328 4.0328 4.0471 4.0471 4.2532 4.2532 5.9341 5.9341 5.9603 5.9603 6.0252 6.0252 6.2058 6.2058 6.6647 6.6647 6.7227 6.7227 6.7605 6.7605 7.1514 7.1514 7.2944 7.2944 7.5226 7.5226 10.0039 10.0039 k =-0.1862 0.4694 0.5050 ( 7718 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3162 -17.3162 -17.3096 -17.3096 -17.1427 -17.1427 -17.1395 -17.1395 -17.1330 -17.1330 -17.1229 -17.1229 -12.3743 -12.3743 -6.3868 -6.3868 -6.0390 -6.0390 0.4182 0.4182 1.5125 1.5125 1.5254 1.5254 2.3815 2.3815 2.4786 2.4786 3.8370 3.8370 4.0212 4.0212 4.0798 4.0798 4.2659 4.2659 5.9269 5.9269 5.9575 5.9575 6.0028 6.0028 6.2225 6.2225 6.6791 6.6791 6.7124 6.7124 6.7453 6.7453 7.1493 7.1493 7.2899 7.2899 7.5033 7.5033 10.0429 10.0429 k =-0.1798 0.4532 0.4875 ( 7720 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3163 -17.3163 -17.3094 -17.3094 -17.1426 -17.1426 -17.1393 -17.1393 -17.1331 -17.1331 -17.1228 -17.1228 -12.3797 -12.3797 -6.3952 -6.3952 -6.0429 -6.0429 0.4460 0.4460 1.5286 1.5286 1.5402 1.5402 2.3588 2.3588 2.5292 2.5292 3.8291 3.8291 4.0084 4.0084 4.1161 4.1161 4.2820 4.2820 5.9174 5.9174 5.9401 5.9401 5.9960 5.9960 6.2393 6.2393 6.6829 6.6829 6.7057 6.7057 6.7350 6.7350 7.1447 7.1447 7.2854 7.2854 7.4838 7.4838 10.0741 10.0741 k =-0.1734 0.4370 0.4701 ( 7720 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3163 -17.3163 -17.3091 -17.3091 -17.1425 -17.1425 -17.1391 -17.1391 -17.1332 -17.1332 -17.1227 -17.1227 -12.3855 -12.3855 -6.4040 -6.4040 -6.0472 -6.0472 0.4764 0.4764 1.5335 1.5335 1.5686 1.5686 2.3271 2.3271 2.5929 2.5929 3.8194 3.8194 3.9953 3.9953 4.1518 4.1518 4.3026 4.3026 5.9057 5.9057 5.9114 5.9114 6.0018 6.0018 6.2560 6.2560 6.6713 6.6713 6.6983 6.6983 6.7386 6.7386 7.1381 7.1381 7.2808 7.2808 7.4640 7.4640 10.0932 10.0932 k =-0.1669 0.4208 0.4527 ( 7712 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3163 -17.3163 -17.3089 -17.3089 -17.1423 -17.1423 -17.1389 -17.1389 -17.1333 -17.1333 -17.1226 -17.1226 -12.3916 -12.3916 -6.4131 -6.4131 -6.0520 -6.0520 0.5095 0.5095 1.5383 1.5383 1.5994 1.5994 2.2929 2.2929 2.6632 2.6632 3.8090 3.8090 3.9821 3.9821 4.1846 4.1846 4.3291 4.3291 5.8752 5.8752 5.8966 5.8966 6.0115 6.0115 6.2723 6.2723 6.6530 6.6530 6.6862 6.6862 6.7518 6.7518 7.1297 7.1297 7.2762 7.2762 7.4438 7.4438 10.0953 10.0953 k =-0.1605 0.4046 0.4353 ( 7708 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3163 -17.3163 -17.3086 -17.3086 -17.1422 -17.1422 -17.1387 -17.1387 -17.1333 -17.1333 -17.1225 -17.1225 -12.3980 -12.3980 -6.4225 -6.4225 -6.0573 -6.0573 0.5449 0.5449 1.5434 1.5434 1.6321 1.6321 2.2580 2.2580 2.7383 2.7383 3.7984 3.7984 3.9688 3.9688 4.2129 4.2129 4.3622 4.3622 5.8391 5.8391 5.8854 5.8854 6.0228 6.0228 6.2877 6.2877 6.6316 6.6316 6.6733 6.6733 6.7672 6.7672 7.1198 7.1198 7.2717 7.2717 7.4231 7.4231 10.0769 10.0769 k =-0.1541 0.3884 0.4179 ( 7708 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3164 -17.3164 -17.3083 -17.3083 -17.1420 -17.1420 -17.1385 -17.1385 -17.1334 -17.1334 -17.1224 -17.1224 -12.4046 -12.4046 -6.4321 -6.4321 -6.0628 -6.0628 0.5826 0.5826 1.5486 1.5486 1.6665 1.6665 2.2229 2.2229 2.8176 2.8176 3.7880 3.7880 3.9554 3.9554 4.2369 4.2369 4.4012 4.4012 5.8017 5.8017 5.8740 5.8740 6.0349 6.0349 6.3022 6.3022 6.6084 6.6084 6.6605 6.6605 6.7829 6.7829 7.1087 7.1087 7.2671 7.2671 7.4020 7.4020 10.0377 10.0377 k =-0.1477 0.3723 0.4005 ( 7708 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3164 -17.3164 -17.3081 -17.3081 -17.1418 -17.1418 -17.1384 -17.1384 -17.1334 -17.1334 -17.1223 -17.1223 -12.4114 -12.4114 -6.4418 -6.4418 -6.0687 -6.0687 0.6225 0.6225 1.5540 1.5540 1.7023 1.7023 2.1879 2.1879 2.9009 2.9009 3.7779 3.7779 3.9422 3.9422 4.2578 4.2578 4.4446 4.4446 5.7634 5.7634 5.8626 5.8626 6.0474 6.0474 6.3155 6.3155 6.5841 6.5841 6.6478 6.6478 6.7983 6.7983 7.0969 7.0969 7.2626 7.2626 7.3804 7.3804 9.9802 9.9802 k =-0.1413 0.3561 0.3831 ( 7700 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3164 -17.3164 -17.3078 -17.3078 -17.1416 -17.1416 -17.1382 -17.1382 -17.1333 -17.1333 -17.1222 -17.1222 -12.4183 -12.4183 -6.4516 -6.4516 -6.0748 -6.0748 0.6643 0.6643 1.5596 1.5596 1.7395 1.7395 2.1533 2.1533 2.9877 2.9877 3.7682 3.7682 3.9291 3.9291 4.2767 4.2767 4.4907 4.4907 5.7244 5.7244 5.8512 5.8512 6.0602 6.0602 6.3274 6.3274 6.5591 6.5591 6.6353 6.6353 6.8132 6.8132 7.0846 7.0846 7.2582 7.2582 7.3582 7.3582 9.9084 9.9084 k =-0.1348 0.3399 0.3657 ( 7708 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3164 -17.3164 -17.3075 -17.3075 -17.1415 -17.1415 -17.1382 -17.1382 -17.1333 -17.1333 -17.1221 -17.1221 -12.4253 -12.4253 -6.4615 -6.4615 -6.0812 -6.0812 0.7078 0.7078 1.5652 1.5652 1.7776 1.7776 2.1194 2.1194 3.0777 3.0777 3.7590 3.7590 3.9163 3.9163 4.2947 4.2947 4.5382 4.5382 5.6850 5.6850 5.8398 5.8398 6.0731 6.0731 6.3378 6.3378 6.5340 6.5340 6.6228 6.6228 6.8275 6.8275 7.0724 7.0724 7.2538 7.2538 7.3355 7.3355 9.8262 9.8262 k =-0.1284 0.3237 0.3482 ( 7704 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3164 -17.3164 -17.3073 -17.3073 -17.1413 -17.1413 -17.1381 -17.1381 -17.1332 -17.1332 -17.1220 -17.1220 -12.4324 -12.4324 -6.4714 -6.4714 -6.0876 -6.0876 0.7529 0.7529 1.5709 1.5709 1.8164 1.8164 2.0864 2.0864 3.1708 3.1708 3.7503 3.7503 3.9038 3.9038 4.3124 4.3124 4.5861 4.5861 5.6452 5.6452 5.8284 5.8284 6.0859 6.0859 6.3465 6.3465 6.5091 6.5091 6.6106 6.6106 6.8411 6.8411 7.0607 7.0607 7.2495 7.2495 7.3123 7.3123 9.7364 9.7364 k =-0.1220 0.3075 0.3308 ( 7700 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3163 -17.3163 -17.3070 -17.3070 -17.1411 -17.1411 -17.1380 -17.1380 -17.1331 -17.1331 -17.1219 -17.1219 -12.4395 -12.4395 -6.4811 -6.4811 -6.0942 -6.0942 0.7992 0.7992 1.5767 1.5767 1.8555 1.8555 2.0545 2.0545 3.2664 3.2664 3.7421 3.7421 3.8918 3.8918 4.3302 4.3302 4.6336 4.6336 5.6052 5.6052 5.8172 5.8172 6.0987 6.0987 6.3531 6.3531 6.4846 6.4846 6.5986 6.5986 6.8539 6.8539 7.0499 7.0499 7.2451 7.2451 7.2888 7.2888 9.6415 9.6415 k =-0.1156 0.2913 0.3134 ( 7692 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3163 -17.3163 -17.3068 -17.3068 -17.1409 -17.1409 -17.1379 -17.1379 -17.1329 -17.1329 -17.1218 -17.1218 -12.4465 -12.4465 -6.4908 -6.4908 -6.1007 -6.1007 0.8466 0.8466 1.5824 1.5824 1.8938 1.8938 2.0248 2.0248 3.3642 3.3642 3.7346 3.7346 3.8802 3.8802 4.3484 4.3484 4.6799 4.6799 5.5651 5.5651 5.8061 5.8061 6.1112 6.1112 6.3575 6.3575 6.4611 6.4611 6.5869 6.5869 6.8659 6.8659 7.0404 7.0404 7.2403 7.2403 7.2653 7.2653 9.5430 9.5430 k =-0.1092 0.2751 0.2960 ( 7692 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3163 -17.3163 -17.3065 -17.3065 -17.1407 -17.1407 -17.1379 -17.1379 -17.1328 -17.1328 -17.1217 -17.1217 -12.4534 -12.4534 -6.5003 -6.5003 -6.1073 -6.1073 0.8947 0.8947 1.5881 1.5881 1.9276 1.9276 2.0008 2.0008 3.4636 3.4636 3.7280 3.7280 3.8693 3.8693 4.3672 4.3672 4.7246 4.7246 5.5251 5.5251 5.7951 5.7951 6.1234 6.1234 6.3592 6.3592 6.4388 6.4388 6.5756 6.5756 6.8771 6.8771 7.0327 7.0327 7.2319 7.2319 7.2451 7.2451 9.4422 9.4422 k =-0.1027 0.2590 0.2786 ( 7694 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3063 -17.3063 -17.1406 -17.1406 -17.1379 -17.1379 -17.1326 -17.1326 -17.1216 -17.1216 -12.4602 -12.4602 -6.5096 -6.5096 -6.1138 -6.1138 0.9433 0.9433 1.5937 1.5937 1.9385 1.9385 2.0006 2.0006 3.5631 3.5631 3.7233 3.7233 3.8591 3.8591 4.3866 4.3866 4.7671 4.7671 5.4852 5.4852 5.7844 5.7844 6.1352 6.1352 6.3577 6.3577 6.4184 6.4184 6.5648 6.5648 6.8874 6.8874 7.0272 7.0272 7.2117 7.2117 7.2368 7.2368 9.3403 9.3403 k =-0.0963 0.2428 0.2612 ( 7712 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3061 -17.3061 -17.1405 -17.1405 -17.1379 -17.1379 -17.1324 -17.1324 -17.1216 -17.1216 -12.4669 -12.4669 -6.5185 -6.5185 -6.1201 -6.1201 0.9920 0.9920 1.5992 1.5992 1.9203 1.9203 2.0304 2.0304 3.6548 3.6548 3.7277 3.7277 3.8500 3.8500 4.4069 4.4069 4.8068 4.8068 5.4457 5.4457 5.7740 5.7740 6.1465 6.1465 6.3524 6.3524 6.4004 6.4004 6.5545 6.5545 6.8968 6.8968 7.0241 7.0241 7.1874 7.1874 7.2326 7.2326 9.2379 9.2379 k =-0.0899 0.2266 0.2438 ( 7714 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3059 -17.3059 -17.1403 -17.1403 -17.1379 -17.1379 -17.1322 -17.1322 -17.1216 -17.1216 -12.4733 -12.4733 -6.5272 -6.5272 -6.1263 -6.1263 1.0405 1.0405 1.6046 1.6046 1.8955 1.8955 2.0672 2.0672 3.6916 3.6916 3.7855 3.7855 3.8441 3.8441 4.4281 4.4281 4.8434 4.8434 5.4066 5.4066 5.7638 5.7638 6.1572 6.1572 6.3429 6.3429 6.3853 6.3853 6.5450 6.5450 6.9052 6.9052 7.0238 7.0238 7.1626 7.1626 7.2292 7.2292 9.1361 9.1361 k =-0.0835 0.2104 0.2264 ( 7722 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3057 -17.3057 -17.1402 -17.1402 -17.1379 -17.1379 -17.1321 -17.1321 -17.1215 -17.1215 -12.4795 -12.4795 -6.5355 -6.5355 -6.1323 -6.1323 1.0886 1.0886 1.6097 1.6097 1.8702 1.8702 2.1049 2.1049 3.6916 3.6916 3.8263 3.8263 3.8932 3.8932 4.4504 4.4504 4.8764 4.8764 5.3683 5.3683 5.7540 5.7540 6.1672 6.1672 6.3299 6.3299 6.3723 6.3723 6.5364 6.5364 6.9126 6.9126 7.0264 7.0264 7.1381 7.1381 7.2262 7.2262 9.0356 9.0356 k =-0.0770 0.1942 0.2089 ( 7732 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3163 -17.3163 -17.3055 -17.3055 -17.1401 -17.1401 -17.1379 -17.1379 -17.1319 -17.1319 -17.1215 -17.1215 -12.4853 -12.4853 -6.5433 -6.5433 -6.1380 -6.1380 1.1358 1.1358 1.6146 1.6146 1.8455 1.8455 2.1420 2.1420 3.6874 3.6874 3.8215 3.8215 3.9926 3.9926 4.4740 4.4740 4.9056 4.9056 5.3310 5.3310 5.7445 5.7445 6.1765 6.1765 6.3150 6.3150 6.3599 6.3599 6.5285 6.5285 6.9189 6.9189 7.0316 7.0316 7.1144 7.1144 7.2236 7.2236 8.9372 8.9372 k =-0.0706 0.1780 0.1915 ( 7726 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3162 -17.3162 -17.3053 -17.3053 -17.1400 -17.1400 -17.1378 -17.1378 -17.1317 -17.1317 -17.1214 -17.1214 -12.4909 -12.4909 -6.5507 -6.5507 -6.1434 -6.1434 1.1819 1.1819 1.6193 1.6193 1.8218 1.8218 2.1779 2.1779 3.6825 3.6825 3.8152 3.8152 4.0938 4.0938 4.4990 4.4990 4.9307 4.9307 5.2950 5.2950 5.7354 5.7354 6.1847 6.1847 6.2992 6.2992 6.3472 6.3472 6.5214 6.5214 6.9239 6.9239 7.0387 7.0387 7.0927 7.0927 7.2215 7.2215 8.8419 8.8419 k =-0.0642 0.1619 0.1741 ( 7736 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3162 -17.3162 -17.3052 -17.3052 -17.1400 -17.1400 -17.1378 -17.1378 -17.1316 -17.1316 -17.1214 -17.1214 -12.4960 -12.4960 -6.5576 -6.5576 -6.1485 -6.1485 1.2264 1.2264 1.6237 1.6237 1.7991 1.7991 2.2122 2.2122 3.6775 3.6775 3.8094 3.8094 4.1928 4.1928 4.5258 4.5258 4.9516 4.9516 5.2607 5.2607 5.7266 5.7266 6.1918 6.1918 6.2829 6.2829 6.3341 6.3341 6.5152 6.5152 6.9272 6.9272 7.0441 7.0441 7.0769 7.0769 7.2197 7.2197 8.7504 8.7504 k =-0.0578 0.1457 0.1567 ( 7736 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3162 -17.3162 -17.3050 -17.3050 -17.1400 -17.1400 -17.1377 -17.1377 -17.1314 -17.1314 -17.1214 -17.1214 -12.5008 -12.5008 -6.5639 -6.5639 -6.1532 -6.1532 1.2692 1.2692 1.6277 1.6277 1.7775 1.7775 2.2445 2.2445 3.6727 3.6727 3.8042 3.8042 4.2876 4.2876 4.5550 4.5550 4.9683 4.9683 5.2287 5.2287 5.7183 5.7183 6.1972 6.1972 6.2660 6.2660 6.3212 6.3212 6.5096 6.5096 6.9284 6.9284 7.0381 7.0381 7.0769 7.0769 7.2185 7.2185 8.6639 8.6639 k =-0.0514 0.1295 0.1393 ( 7729 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3162 -17.3162 -17.3049 -17.3049 -17.1399 -17.1399 -17.1376 -17.1376 -17.1312 -17.1312 -17.1213 -17.1213 -12.5052 -12.5052 -6.5697 -6.5697 -6.1575 -6.1575 1.3098 1.3098 1.6315 1.6315 1.7569 1.7569 2.2745 2.2745 3.6682 3.6682 3.7996 3.7996 4.3755 4.3755 4.5876 4.5876 4.9811 4.9811 5.1998 5.1998 5.7102 5.7102 6.1997 6.1997 6.2491 6.2491 6.3093 6.3093 6.5046 6.5046 6.9267 6.9267 7.0252 7.0252 7.0888 7.0888 7.2180 7.2180 8.5831 8.5831 k =-0.0449 0.1133 0.1219 ( 7731 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3048 -17.3048 -17.1399 -17.1399 -17.1375 -17.1375 -17.1311 -17.1311 -17.1213 -17.1213 -12.5091 -12.5091 -6.5749 -6.5749 -6.1613 -6.1613 1.3480 1.3480 1.6348 1.6348 1.7374 1.7374 2.3018 2.3018 3.6640 3.6640 3.7956 3.7956 4.4530 4.4530 4.6245 4.6245 4.9904 4.9904 5.1747 5.1747 5.7025 5.7025 6.1960 6.1960 6.2354 6.2354 6.2991 6.2991 6.5001 6.5001 6.9216 6.9216 7.0140 7.0140 7.1037 7.1037 7.2183 7.2183 8.5092 8.5092 k =-0.0385 0.0971 0.1045 ( 7723 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3047 -17.3047 -17.1399 -17.1399 -17.1375 -17.1375 -17.1310 -17.1310 -17.1213 -17.1213 -12.5125 -12.5125 -6.5794 -6.5794 -6.1647 -6.1647 1.3834 1.3834 1.6377 1.6377 1.7190 1.7190 2.3261 2.3261 3.6602 3.6602 3.7922 3.7922 4.5173 4.5173 4.6656 4.6656 4.9977 4.9977 5.1543 5.1543 5.6951 5.6951 6.1821 6.1821 6.2289 6.2289 6.2909 6.2909 6.4962 6.4962 6.9133 6.9133 7.0064 7.0064 7.1190 7.1190 7.2197 7.2197 8.4431 8.4431 k =-0.0321 0.0809 0.0871 ( 7719 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3046 -17.3046 -17.1398 -17.1398 -17.1374 -17.1374 -17.1309 -17.1309 -17.1212 -17.1212 -12.5155 -12.5155 -6.5833 -6.5833 -6.1676 -6.1676 1.4158 1.4158 1.6402 1.6402 1.7016 1.7016 2.3473 2.3473 3.6569 3.6569 3.7895 3.7895 4.5684 4.5684 4.7062 4.7062 5.0054 5.0054 5.1391 5.1391 5.6879 5.6879 6.1613 6.1613 6.2272 6.2272 6.2848 6.2848 6.4928 6.4928 6.9030 6.9030 7.0021 7.0021 7.1331 7.1331 7.2223 7.2223 8.3855 8.3855 k =-0.0257 0.0647 0.0696 ( 7715 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3045 -17.3045 -17.1398 -17.1398 -17.1373 -17.1373 -17.1308 -17.1308 -17.1212 -17.1212 -12.5179 -12.5179 -6.5865 -6.5865 -6.1701 -6.1701 1.4446 1.4446 1.6422 1.6422 1.6855 1.6855 2.3649 2.3649 3.6542 3.6542 3.7872 3.7872 4.6096 4.6096 4.7383 4.7383 5.0166 5.0166 5.1292 5.1292 5.6811 5.6811 6.1385 6.1385 6.2269 6.2269 6.2806 6.2806 6.4899 6.4899 6.8923 6.8923 6.9999 6.9999 7.1448 7.1448 7.2262 7.2262 8.3374 8.3374 k =-0.0193 0.0486 0.0522 ( 7721 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3161 -17.3161 -17.3044 -17.3044 -17.1398 -17.1398 -17.1373 -17.1373 -17.1308 -17.1308 -17.1212 -17.1212 -12.5198 -12.5198 -6.5890 -6.5890 -6.1719 -6.1719 1.4694 1.4694 1.6436 1.6436 1.6709 1.6709 2.3789 2.3789 3.6520 3.6520 3.7855 3.7855 4.6446 4.6446 4.7552 4.7552 5.0323 5.0323 5.1242 5.1242 5.6749 5.6749 6.1170 6.1170 6.2266 6.2266 6.2779 6.2779 6.4875 6.4875 6.8827 6.8827 6.9989 6.9989 7.1535 7.1535 7.2309 7.2309 8.2993 8.2993 k =-0.0128 0.0324 0.0348 ( 7703 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1307 -17.1307 -17.1211 -17.1211 -12.5211 -12.5211 -6.5908 -6.5908 -6.1733 -6.1733 1.4892 1.4892 1.6443 1.6443 1.6590 1.6590 2.3890 2.3890 3.6504 3.6504 3.7843 3.7843 4.6756 4.6756 4.7564 4.7564 5.0485 5.0485 5.1235 5.1235 5.6697 5.6697 6.0993 6.0993 6.2263 6.2263 6.2764 6.2764 6.4858 6.4858 6.8751 6.8751 6.9986 6.9986 7.1592 7.1592 7.2355 7.2355 8.2717 8.2717 k =-0.0064 0.0162 0.0174 ( 7699 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5220 -12.5220 -6.5919 -6.5919 -6.1741 -6.1741 1.5024 1.5024 1.6436 1.6436 1.6518 1.6518 2.3951 2.3951 3.6494 3.6494 3.7836 3.7836 4.7032 4.7032 4.7457 4.7457 5.0598 5.0598 5.1256 5.1256 5.6661 5.6661 6.0877 6.0877 6.2261 6.2261 6.2756 6.2756 6.4848 6.4848 6.8703 6.8703 6.9985 6.9985 7.1624 7.1624 7.2389 7.2389 8.2550 8.2550 k = 0.0000 0.0000 0.0000 ( 7701 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5222 -12.5222 -6.5922 -6.5922 -6.1744 -6.1744 1.5071 1.5071 1.6425 1.6425 1.6500 1.6500 2.3972 2.3972 3.6491 3.6491 3.7834 3.7834 4.7267 4.7267 4.7273 4.7273 5.0636 5.0636 5.1270 5.1270 5.6649 5.6649 6.0836 6.0836 6.2260 6.2260 6.2754 6.2754 6.4844 6.4844 6.8687 6.8687 6.9985 6.9985 7.1634 7.1634 7.2401 7.2401 8.2495 8.2495 k = 0.0000 0.0000 0.0000 ( 7701 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5222 -12.5222 -6.5922 -6.5922 -6.1744 -6.1744 1.5071 1.5071 1.6425 1.6425 1.6500 1.6500 2.3972 2.3972 3.6491 3.6491 3.7834 3.7834 4.7267 4.7267 4.7273 4.7273 5.0636 5.0636 5.1270 5.1270 5.6649 5.6649 6.0836 6.0836 6.2260 6.2260 6.2754 6.2754 6.4844 6.4844 6.8687 6.8687 6.9985 6.9985 7.1634 7.1634 7.2401 7.2401 8.2495 8.2495 k = 0.0227 0.0090-0.0000 ( 7696 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3043 -17.3043 -17.1398 -17.1398 -17.1372 -17.1372 -17.1306 -17.1306 -17.1211 -17.1211 -12.5222 -12.5222 -6.5918 -6.5918 -6.1749 -6.1749 1.5091 1.5091 1.6425 1.6425 1.6499 1.6499 2.3972 2.3972 3.6494 3.6494 3.7837 3.7837 4.7243 4.7243 4.7273 4.7273 5.0626 5.0626 5.1193 5.1193 5.6667 5.6667 6.0835 6.0835 6.2261 6.2261 6.2754 6.2754 6.4844 6.4844 6.8718 6.8718 6.9992 6.9992 7.1643 7.1643 7.2411 7.2411 8.2542 8.2542 k = 0.0455 0.0180-0.0000 ( 7704 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3160 -17.3160 -17.3044 -17.3044 -17.1397 -17.1397 -17.1372 -17.1372 -17.1306 -17.1306 -17.1212 -17.1212 -12.5222 -12.5222 -6.5906 -6.5906 -6.1765 -6.1765 1.5152 1.5152 1.6424 1.6424 1.6499 1.6499 2.3974 2.3974 3.6506 3.6506 3.7848 3.7848 4.7166 4.7166 4.7273 4.7273 5.0599 5.0599 5.0972 5.0972 5.6716 5.6716 6.0833 6.0833 6.2264 6.2264 6.2756 6.2756 6.4844 6.4844 6.8807 6.8807 7.0014 7.0014 7.1671 7.1671 7.2441 7.2441 8.2685 8.2685 k = 0.0682 0.0270-0.0000 ( 7708 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3159 -17.3159 -17.3044 -17.3044 -17.1397 -17.1397 -17.1372 -17.1372 -17.1306 -17.1306 -17.1213 -17.1213 -12.5222 -12.5222 -6.5886 -6.5886 -6.1792 -6.1792 1.5253 1.5253 1.6423 1.6423 1.6498 1.6498 2.3976 2.3976 3.6525 3.6525 3.7866 3.7866 4.7031 4.7031 4.7273 4.7273 5.0553 5.0553 5.0636 5.0636 5.6785 5.6785 6.0830 6.0830 6.2269 6.2269 6.2759 6.2759 6.4843 6.4843 6.8939 6.8939 7.0055 7.0055 7.1717 7.1717 7.2491 7.2491 8.2923 8.2923 k = 0.0909 0.0361-0.0000 ( 7700 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3158 -17.3158 -17.3045 -17.3045 -17.1394 -17.1394 -17.1372 -17.1372 -17.1306 -17.1306 -17.1215 -17.1215 -12.5221 -12.5221 -6.5858 -6.5858 -6.1829 -6.1829 1.5393 1.5393 1.6422 1.6422 1.6497 1.6497 2.3980 2.3980 3.6551 3.6551 3.7891 3.7891 4.6827 4.6827 4.7273 4.7273 5.0222 5.0222 5.0491 5.0491 5.6862 5.6862 6.0826 6.0826 6.2276 6.2276 6.2763 6.2763 6.4842 6.4842 6.9094 6.9094 7.0124 7.0124 7.1780 7.1780 7.2559 7.2559 8.3256 8.3256 k = 0.1136 0.0451-0.0000 ( 7724 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3157 -17.3157 -17.3047 -17.3047 -17.1393 -17.1393 -17.1373 -17.1373 -17.1307 -17.1307 -17.1218 -17.1218 -12.5221 -12.5221 -6.5823 -6.5823 -6.1875 -6.1875 1.5572 1.5572 1.6420 1.6420 1.6495 1.6495 2.3984 2.3984 3.6584 3.6584 3.7923 3.7923 4.6538 4.6538 4.7273 4.7273 4.9774 4.9774 5.0413 5.0413 5.6937 5.6937 6.0821 6.0821 6.2284 6.2284 6.2768 6.2768 6.4841 6.4841 6.9245 6.9245 7.0229 7.0229 7.1859 7.1859 7.2643 7.2643 8.3685 8.3685 k = 0.1364 0.0541-0.0000 ( 7720 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3156 -17.3156 -17.3048 -17.3048 -17.1391 -17.1391 -17.1373 -17.1373 -17.1306 -17.1306 -17.1220 -17.1220 -12.5220 -12.5220 -6.5780 -6.5780 -6.1931 -6.1931 1.5787 1.5787 1.6419 1.6419 1.6493 1.6493 2.3988 2.3988 3.6624 3.6624 3.7960 3.7960 4.6148 4.6148 4.7273 4.7273 4.9336 4.9336 5.0321 5.0321 5.7005 5.7005 6.0815 6.0815 6.2292 6.2292 6.2773 6.2773 6.4840 6.4840 6.9370 6.9370 7.0376 7.0376 7.1952 7.1952 7.2744 7.2744 8.4208 8.4208 k = 0.1591 0.0631-0.0000 ( 7732 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3154 -17.3154 -17.3050 -17.3050 -17.1388 -17.1388 -17.1373 -17.1373 -17.1306 -17.1306 -17.1223 -17.1223 -12.5220 -12.5220 -6.5730 -6.5730 -6.1996 -6.1996 1.6036 1.6036 1.6419 1.6419 1.6491 1.6491 2.3992 2.3992 3.6669 3.6669 3.8003 3.8003 4.5647 4.5647 4.7273 4.7273 4.8938 4.8938 5.0218 5.0218 5.7062 5.7062 6.0808 6.0808 6.2301 6.2301 6.2779 6.2779 6.4839 6.4839 6.9463 6.9463 7.0560 7.0560 7.2058 7.2058 7.2857 7.2857 8.4821 8.4821 k = 0.1818 0.0721-0.0000 ( 7712 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3152 -17.3152 -17.3052 -17.3052 -17.1384 -17.1384 -17.1373 -17.1373 -17.1306 -17.1306 -17.1226 -17.1226 -12.5219 -12.5219 -6.5673 -6.5673 -6.2070 -6.2070 1.6306 1.6306 1.6430 1.6430 1.6489 1.6489 2.3996 2.3996 3.6719 3.6719 3.8050 3.8050 4.5043 4.5043 4.7273 4.7273 4.8595 4.8595 5.0104 5.0104 5.7108 5.7108 6.0800 6.0800 6.2309 6.2309 6.2786 6.2786 6.4837 6.4837 6.9527 6.9527 7.0763 7.0763 7.2174 7.2174 7.2981 7.2981 8.5520 8.5520 k = 0.2045 0.0811-0.0000 ( 7716 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3150 -17.3150 -17.3054 -17.3054 -17.1380 -17.1380 -17.1373 -17.1373 -17.1306 -17.1306 -17.1230 -17.1230 -12.5218 -12.5218 -6.5610 -6.5610 -6.2150 -6.2150 1.6400 1.6400 1.6487 1.6487 1.6647 1.6647 2.3998 2.3998 3.6773 3.6773 3.8101 3.8101 4.4354 4.4354 4.7273 4.7273 4.8304 4.8304 4.9984 4.9984 5.7143 5.7143 6.0792 6.0792 6.2318 6.2318 6.2792 6.2792 6.4835 6.4835 6.9570 6.9570 7.0971 7.0971 7.2297 7.2297 7.3113 7.3113 8.6297 8.6297 k = 0.2273 0.0902-0.0000 ( 7716 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3148 -17.3148 -17.3056 -17.3056 -17.1376 -17.1376 -17.1373 -17.1373 -17.1306 -17.1306 -17.1235 -17.1235 -12.5217 -12.5217 -6.5540 -6.5540 -6.2238 -6.2238 1.6402 1.6402 1.6484 1.6484 1.6984 1.6984 2.3998 2.3998 3.6831 3.6831 3.8156 3.8156 4.3607 4.3607 4.7274 4.7274 4.8055 4.8055 4.9858 4.9858 5.7169 5.7169 6.0783 6.0783 6.2326 6.2326 6.2799 6.2799 6.4834 6.4834 6.9601 6.9601 7.1171 7.1171 7.2426 7.2426 7.3251 7.3251 8.7145 8.7145 k = 0.2500 0.0992 0.0000 ( 7716 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3145 -17.3145 -17.3059 -17.3059 -17.1373 -17.1373 -17.1371 -17.1371 -17.1306 -17.1306 -17.1240 -17.1240 -12.5216 -12.5216 -6.5466 -6.5466 -6.2331 -6.2331 1.6401 1.6401 1.6482 1.6482 1.7348 1.7348 2.3996 2.3996 3.6891 3.6891 3.8212 3.8212 4.2828 4.2828 4.7274 4.7274 4.7838 4.7838 4.9729 4.9729 5.7187 5.7187 6.0774 6.0774 6.2334 6.2334 6.2805 6.2805 6.4832 6.4832 6.9622 6.9622 7.1356 7.1356 7.2556 7.2556 7.3391 7.3391 8.8054 8.8054 k = 0.2727 0.1082-0.0000 ( 7716 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3142 -17.3142 -17.3061 -17.3061 -17.1373 -17.1373 -17.1367 -17.1367 -17.1306 -17.1306 -17.1245 -17.1245 -12.5215 -12.5215 -6.5386 -6.5386 -6.2429 -6.2429 1.6398 1.6398 1.6479 1.6479 1.7731 1.7731 2.3990 2.3990 3.6952 3.6952 3.8269 3.8269 4.2038 4.2038 4.7274 4.7274 4.7646 4.7646 4.9601 4.9601 5.7198 5.7198 6.0765 6.0765 6.2341 6.2341 6.2812 6.2812 6.4830 6.4830 6.9638 6.9638 7.1524 7.1524 7.2686 7.2686 7.3532 7.3532 8.9014 8.9014 k = 0.2955 0.1172-0.0000 ( 7732 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3140 -17.3140 -17.3064 -17.3064 -17.1374 -17.1374 -17.1362 -17.1362 -17.1306 -17.1306 -17.1250 -17.1250 -12.5214 -12.5214 -6.5303 -6.5303 -6.2530 -6.2530 1.6396 1.6396 1.6477 1.6477 1.8128 1.8128 2.3980 2.3980 3.7012 3.7012 3.8326 3.8326 4.1255 4.1255 4.7274 4.7274 4.7474 4.7474 4.9476 4.9476 5.7205 5.7205 6.0756 6.0756 6.2348 6.2348 6.2818 6.2818 6.4829 6.4829 6.9650 6.9650 7.1672 7.1672 7.2812 7.2812 7.3670 7.3670 9.0015 9.0015 k = 0.3182 0.1262-0.0000 ( 7728 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3137 -17.3137 -17.3067 -17.3067 -17.1374 -17.1374 -17.1357 -17.1357 -17.1306 -17.1306 -17.1256 -17.1256 -12.5213 -12.5213 -6.5218 -6.5218 -6.2633 -6.2633 1.6393 1.6393 1.6474 1.6474 1.8532 1.8532 2.3965 2.3965 3.7072 3.7072 3.8382 3.8382 4.0496 4.0496 4.7274 4.7274 4.7318 4.7318 4.9355 4.9355 5.7207 5.7207 6.0747 6.0747 6.2354 6.2354 6.2823 6.2823 6.4827 6.4827 6.9659 6.9659 7.1801 7.1801 7.2932 7.2932 7.3802 7.3802 9.1047 9.1047 k = 0.3409 0.1352-0.0000 ( 7740 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3134 -17.3134 -17.3071 -17.3071 -17.1374 -17.1374 -17.1351 -17.1351 -17.1306 -17.1306 -17.1261 -17.1261 -12.5213 -12.5213 -6.5131 -6.5131 -6.2736 -6.2736 1.6391 1.6391 1.6472 1.6472 1.8935 1.8935 2.3944 2.3944 3.7128 3.7128 3.8435 3.8435 3.9777 3.9777 4.7179 4.7179 4.7274 4.7274 4.9242 4.9242 5.7207 5.7207 6.0739 6.0739 6.2360 6.2360 6.2828 6.2828 6.4826 6.4826 6.9667 6.9667 7.1912 7.1912 7.3043 7.3043 7.3925 7.3925 9.2098 9.2098 k = 0.3636 0.1443-0.0000 ( 7736 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3131 -17.3131 -17.3074 -17.3074 -17.1374 -17.1374 -17.1345 -17.1345 -17.1306 -17.1306 -17.1267 -17.1267 -12.5212 -12.5212 -6.5045 -6.5045 -6.2837 -6.2837 1.6389 1.6389 1.6470 1.6470 1.9328 1.9328 2.3917 2.3917 3.7180 3.7180 3.8483 3.8483 3.9111 3.9111 4.7056 4.7056 4.7274 4.7274 4.9139 4.9139 5.7205 5.7205 6.0732 6.0732 6.2364 6.2364 6.2832 6.2832 6.4824 6.4824 6.9672 6.9672 7.2005 7.2005 7.3145 7.3145 7.4038 7.4038 9.3160 9.3160 k = 0.3864 0.1533-0.0000 ( 7728 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3128 -17.3128 -17.3076 -17.3076 -17.1374 -17.1374 -17.1339 -17.1339 -17.1306 -17.1306 -17.1273 -17.1273 -12.5211 -12.5211 -6.4962 -6.4962 -6.2933 -6.2933 1.6387 1.6387 1.6468 1.6468 1.9700 1.9700 2.3884 2.3884 3.7227 3.7227 3.8514 3.8514 3.8527 3.8527 4.6950 4.6950 4.7274 4.7274 4.9047 4.9047 5.7202 5.7202 6.0725 6.0725 6.2368 6.2368 6.2836 6.2836 6.4823 6.4823 6.9676 6.9676 7.2082 7.2082 7.3234 7.3234 7.4137 7.4137 9.4221 9.4221 k = 0.4091 0.1623-0.0000 ( 7720 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3125 -17.3125 -17.3079 -17.3079 -17.1374 -17.1374 -17.1333 -17.1333 -17.1306 -17.1306 -17.1279 -17.1279 -12.5211 -12.5211 -6.4884 -6.4884 -6.3021 -6.3021 1.6385 1.6385 1.6467 1.6467 2.0038 2.0038 2.3847 2.3847 3.7267 3.7267 3.7999 3.7999 3.8565 3.8565 4.6861 4.6861 4.7274 4.7274 4.8970 4.8970 5.7198 5.7198 6.0720 6.0720 6.2372 6.2372 6.2839 6.2839 6.4822 6.4822 6.9680 6.9680 7.2143 7.2143 7.3309 7.3309 7.4222 7.4222 9.5271 9.5271 k = 0.4318 0.1713-0.0000 ( 7720 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3122 -17.3122 -17.3081 -17.3081 -17.1374 -17.1374 -17.1326 -17.1326 -17.1306 -17.1306 -17.1286 -17.1286 -12.5210 -12.5210 -6.4817 -6.4817 -6.3098 -6.3098 1.6384 1.6384 1.6465 1.6465 2.0327 2.0327 2.3808 2.3808 3.7298 3.7298 3.7582 3.7582 3.8595 3.8595 4.6791 4.6791 4.7274 4.7274 4.8907 4.8907 5.7195 5.7195 6.0715 6.0715 6.2375 6.2375 6.2842 6.2842 6.4821 6.4821 6.9682 6.9682 7.2190 7.2190 7.3369 7.3369 7.4289 7.4289 9.6297 9.6297 k = 0.4545 0.1803-0.0000 ( 7720 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3083 -17.3083 -17.1374 -17.1374 -17.1320 -17.1320 -17.1306 -17.1306 -17.1292 -17.1292 -12.5210 -12.5210 -6.4764 -6.4764 -6.3157 -6.3157 1.6383 1.6383 1.6465 1.6465 2.0551 2.0551 2.3772 2.3772 3.7256 3.7256 3.7338 3.7338 3.8618 3.8618 4.6740 4.6740 4.7274 4.7274 4.8862 4.8862 5.7192 5.7192 6.0712 6.0712 6.2376 6.2376 6.2843 6.2843 6.4820 6.4820 6.9684 6.9684 7.2223 7.2223 7.3413 7.3413 7.4339 7.4339 9.7278 9.7278 k = 0.4773 0.1893-0.0000 ( 7704 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3084 -17.3084 -17.1373 -17.1373 -17.1313 -17.1313 -17.1305 -17.1305 -17.1298 -17.1298 -12.5210 -12.5210 -6.4730 -6.4730 -6.3195 -6.3195 1.6382 1.6382 1.6464 1.6464 2.0694 2.0694 2.3747 2.3747 3.7075 3.7075 3.7343 3.7343 3.8631 3.8631 4.6710 4.6710 4.7274 4.7274 4.8834 4.8834 5.7191 5.7191 6.0710 6.0710 6.2378 6.2378 6.2844 6.2844 6.4820 6.4820 6.9684 6.9684 7.2242 7.2242 7.3440 7.3440 7.4369 7.4369 9.8155 9.8155 k = 0.5000 0.1984 0.0000 ( 7712 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3118 -17.3118 -17.3085 -17.3085 -17.1373 -17.1373 -17.1309 -17.1309 -17.1306 -17.1306 -17.1303 -17.1303 -12.5210 -12.5210 -6.4718 -6.4718 -6.3209 -6.3209 1.6382 1.6382 1.6464 1.6464 2.0743 2.0743 2.3737 2.3737 3.7012 3.7012 3.7348 3.7348 3.8636 3.8636 4.6699 4.6699 4.7274 4.7274 4.8825 4.8825 5.7190 5.7190 6.0709 6.0709 6.2378 6.2378 6.2845 6.2845 6.4820 6.4820 6.9685 6.9685 7.2249 7.2249 7.3448 7.3448 7.4379 7.4379 9.8628 9.8628 k = 0.5000 0.1984 0.0000 ( 7712 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3118 -17.3118 -17.3085 -17.3085 -17.1373 -17.1373 -17.1309 -17.1309 -17.1306 -17.1306 -17.1303 -17.1303 -12.5210 -12.5210 -6.4718 -6.4718 -6.3209 -6.3209 1.6382 1.6382 1.6464 1.6464 2.0743 2.0743 2.3737 2.3737 3.7012 3.7012 3.7348 3.7348 3.8636 3.8636 4.6699 4.6699 4.7274 4.7274 4.8825 4.8825 5.7190 5.7190 6.0709 6.0709 6.2378 6.2378 6.2845 6.2845 6.4820 6.4820 6.9685 6.9685 7.2249 7.2249 7.3448 7.3448 7.4379 7.4379 9.8628 9.8628 k = 0.4936 0.2145 0.0174 ( 7708 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3085 -17.3085 -17.1373 -17.1373 -17.1309 -17.1309 -17.1306 -17.1306 -17.1302 -17.1302 -12.5207 -12.5207 -6.4715 -6.4715 -6.3205 -6.3205 1.6359 1.6359 1.6447 1.6447 2.0761 2.0761 2.3727 2.3727 3.6688 3.6688 3.7576 3.7576 3.8742 3.8742 4.6577 4.6577 4.7318 4.7318 4.8822 4.8822 5.7216 5.7216 6.0746 6.0746 6.2379 6.2379 6.2847 6.2847 6.4823 6.4823 6.9682 6.9682 7.2259 7.2259 7.3426 7.3426 7.4352 7.4352 9.8674 9.8674 k = 0.4872 0.2306 0.0347 ( 7706 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3085 -17.3085 -17.1374 -17.1374 -17.1309 -17.1309 -17.1307 -17.1307 -17.1301 -17.1301 -12.5199 -12.5199 -6.4707 -6.4707 -6.3194 -6.3194 1.6265 1.6265 1.6425 1.6425 2.0811 2.0811 2.3694 2.3694 3.6206 3.6206 3.7785 3.7785 3.9049 3.9049 4.6309 4.6309 4.7315 4.7315 4.8854 4.8854 5.7289 5.7289 6.0856 6.0856 6.2383 6.2383 6.2853 6.2853 6.4833 6.4833 6.9673 6.9673 7.2289 7.2289 7.3351 7.3351 7.4281 7.4281 9.8811 9.8811 k = 0.4808 0.2467 0.0521 ( 7710 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3085 -17.3085 -17.1375 -17.1375 -17.1309 -17.1309 -17.1309 -17.1309 -17.1300 -17.1300 -12.5185 -12.5185 -6.4693 -6.4693 -6.3175 -6.3175 1.6092 1.6092 1.6408 1.6408 2.0891 2.0891 2.3639 2.3639 3.5705 3.5705 3.7901 3.7901 3.9489 3.9489 4.5976 4.5976 4.7135 4.7135 4.8991 4.8991 5.7394 5.7394 6.1031 6.1031 6.2388 6.2388 6.2867 6.2867 6.4850 6.4850 6.9658 6.9658 7.2334 7.2334 7.3211 7.3211 7.4191 7.4191 9.9029 9.9029 k = 0.4744 0.2629 0.0694 ( 7710 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3086 -17.3086 -17.1375 -17.1375 -17.1311 -17.1311 -17.1309 -17.1309 -17.1298 -17.1298 -12.5166 -12.5166 -6.4674 -6.4674 -6.3149 -6.3149 1.5855 1.5855 1.6390 1.6390 2.0993 2.0993 2.3562 2.3562 3.5209 3.5209 3.7974 3.7974 3.9989 3.9989 4.5590 4.5590 4.6793 4.6793 4.9234 4.9234 5.7514 5.7514 6.1261 6.1261 6.2394 6.2394 6.2891 6.2891 6.4871 6.4871 6.9636 6.9636 7.2378 7.2378 7.3007 7.3007 7.4109 7.4109 9.9315 9.9315 k = 0.4680 0.2790 0.0868 ( 7718 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3086 -17.3086 -17.1377 -17.1377 -17.1313 -17.1313 -17.1309 -17.1309 -17.1298 -17.1298 -12.5142 -12.5142 -6.4650 -6.4650 -6.3116 -6.3116 1.5563 1.5563 1.6369 1.6369 2.1112 2.1112 2.3460 2.3460 3.4727 3.4727 3.8033 3.8033 4.0506 4.0506 4.5136 4.5136 4.6375 4.6375 4.9544 4.9544 5.7636 5.7636 6.1525 6.1525 6.2404 6.2404 6.2930 6.2930 6.4898 6.4898 6.9608 6.9608 7.2337 7.2337 7.2823 7.2823 7.4048 7.4048 9.9652 9.9652 k = 0.4616 0.2951 0.1041 ( 7718 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3087 -17.3087 -17.1378 -17.1378 -17.1315 -17.1315 -17.1309 -17.1309 -17.1296 -17.1296 -12.5113 -12.5113 -6.4621 -6.4621 -6.3075 -6.3075 1.5225 1.5225 1.6344 1.6344 2.1243 2.1243 2.3333 2.3333 3.4266 3.4266 3.8090 3.8090 4.1013 4.1013 4.4593 4.4593 4.5958 4.5958 4.9892 4.9892 5.7752 5.7752 6.1786 6.1786 6.2435 6.2435 6.2986 6.2986 6.4928 6.4928 6.9573 6.9573 7.2060 7.2060 7.2824 7.2824 7.4007 7.4007 10.0023 10.0023 k = 0.4552 0.3112 0.1215 ( 7720 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3088 -17.3088 -17.1379 -17.1379 -17.1317 -17.1317 -17.1309 -17.1309 -17.1295 -17.1295 -12.5079 -12.5079 -6.4587 -6.4587 -6.3028 -6.3028 1.4847 1.4847 1.6316 1.6316 2.1380 2.1380 2.3181 2.3181 3.3832 3.3832 3.8149 3.8149 4.1477 4.1477 4.3980 4.3980 4.5585 4.5585 5.0264 5.0264 5.7859 5.7859 6.1976 6.1976 6.2534 6.2534 6.3065 6.3065 6.4964 6.4964 6.9530 6.9530 7.1636 7.1636 7.2944 7.2944 7.3981 7.3981 10.0410 10.0410 k = 0.4488 0.3274 0.1388 ( 7716 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3089 -17.3089 -17.1381 -17.1381 -17.1320 -17.1320 -17.1308 -17.1308 -17.1294 -17.1294 -12.5041 -12.5041 -6.4549 -6.4549 -6.2974 -6.2974 1.4435 1.4435 1.6283 1.6283 2.1520 2.1520 2.3004 2.3004 3.3430 3.3430 3.8212 3.8212 4.1806 4.1806 4.3399 4.3399 4.5261 4.5261 5.0652 5.0652 5.7957 5.7957 6.2043 6.2043 6.2727 6.2727 6.3174 6.3174 6.5005 6.5005 6.9478 6.9478 7.1154 7.1154 7.3111 7.3111 7.3967 7.3967 10.0798 10.0798 k = 0.4424 0.3435 0.1562 ( 7722 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3121 -17.3121 -17.3090 -17.3090 -17.1382 -17.1382 -17.1322 -17.1322 -17.1308 -17.1308 -17.1293 -17.1293 -12.4998 -12.4998 -6.4506 -6.4506 -6.2914 -6.2914 1.3995 1.3995 1.6248 1.6248 2.1655 2.1655 2.2802 2.2802 3.3061 3.3061 3.8281 3.8281 4.1695 4.1695 4.3171 4.3171 4.4982 4.4982 5.1052 5.1052 5.8046 5.8046 6.2030 6.2030 6.2943 6.2943 6.3325 6.3325 6.5056 6.5056 6.9416 6.9416 7.0649 7.0649 7.3303 7.3303 7.3964 7.3964 10.1173 10.1173 k = 0.4360 0.3596 0.1735 ( 7718 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3121 -17.3121 -17.3092 -17.3092 -17.1384 -17.1384 -17.1325 -17.1325 -17.1308 -17.1308 -17.1291 -17.1291 -12.4950 -12.4950 -6.4459 -6.4459 -6.2847 -6.2847 1.3531 1.3531 1.6209 1.6209 2.1778 2.1778 2.2585 2.2585 3.2730 3.2730 3.8355 3.8355 4.1072 4.1072 4.3374 4.3374 4.4753 4.4753 5.1461 5.1461 5.8128 5.8128 6.1979 6.1979 6.3123 6.3123 6.3515 6.3515 6.5124 6.5124 6.9338 6.9338 7.0148 7.0148 7.3506 7.3506 7.3980 7.3980 10.1527 10.1527 k = 0.4296 0.3758 0.1909 ( 7710 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3121 -17.3121 -17.3093 -17.3093 -17.1386 -17.1386 -17.1328 -17.1328 -17.1307 -17.1307 -17.1290 -17.1290 -12.4899 -12.4899 -6.4408 -6.4408 -6.2775 -6.2775 1.3048 1.3048 1.6167 1.6167 2.1853 2.1853 2.2384 2.2384 3.2437 3.2437 3.8434 3.8434 4.0266 4.0266 4.3651 4.3651 4.4608 4.4608 5.1878 5.1878 5.8205 5.8205 6.1908 6.1908 6.3270 6.3270 6.3707 6.3707 6.5216 6.5216 6.9223 6.9223 6.9685 6.9685 7.3683 7.3683 7.4044 7.4044 10.1851 10.1851 k = 0.4232 0.3919 0.2082 ( 7710 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3122 -17.3122 -17.3095 -17.3095 -17.1388 -17.1388 -17.1331 -17.1331 -17.1307 -17.1307 -17.1288 -17.1288 -12.4844 -12.4844 -6.4355 -6.4355 -6.2697 -6.2697 1.2550 1.2550 1.6122 1.6122 2.1780 2.1780 2.2299 2.2299 3.2182 3.2182 3.8518 3.8518 3.9406 3.9406 4.3780 4.3780 4.4643 4.4643 5.2300 5.2300 5.8278 5.8278 6.1824 6.1824 6.3402 6.3402 6.3864 6.3864 6.5341 6.5341 6.8983 6.8983 6.9364 6.9364 7.3780 7.3780 7.4209 7.4209 10.1981 10.1981 k = 0.4168 0.4080 0.2256 ( 7714 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3123 -17.3123 -17.3096 -17.3096 -17.1390 -17.1390 -17.1334 -17.1334 -17.1307 -17.1307 -17.1287 -17.1287 -12.4786 -12.4786 -6.4298 -6.4298 -6.2615 -6.2615 1.2040 1.2040 1.6075 1.6075 2.1534 2.1534 2.2354 2.2354 3.1967 3.1967 3.8518 3.8518 3.8622 3.8622 4.3715 4.3715 4.4869 4.4869 5.2726 5.2726 5.8347 5.8347 6.1728 6.1728 6.3527 6.3527 6.3968 6.3968 6.5501 6.5501 6.8604 6.8604 6.9209 6.9209 7.3813 7.3813 7.4452 7.4452 10.1938 10.1938 k = 0.4104 0.4241 0.2429 ( 7710 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3123 -17.3123 -17.3098 -17.3098 -17.1392 -17.1392 -17.1338 -17.1338 -17.1306 -17.1306 -17.1286 -17.1286 -12.4725 -12.4725 -6.4239 -6.4239 -6.2527 -6.2527 1.1523 1.1523 1.6025 1.6025 2.1214 2.1214 2.2453 2.2453 3.1788 3.1788 3.7658 3.7658 3.8705 3.8705 4.3569 4.3569 4.5160 4.5160 5.3156 5.3156 5.8413 5.8413 6.1623 6.1623 6.3642 6.3642 6.4023 6.4023 6.5687 6.5687 6.8221 6.8221 6.9097 6.9097 7.3821 7.3821 7.4730 7.4730 10.1809 10.1809 k = 0.4040 0.4403 0.2603 ( 7706 PWs) bands (ev): -45.2512 -45.2512 -45.2505 -45.2505 -17.3124 -17.3124 -17.3100 -17.3100 -17.1395 -17.1395 -17.1341 -17.1341 -17.1305 -17.1305 -17.1285 -17.1285 -12.4662 -12.4662 -6.4177 -6.4177 -6.2436 -6.2436 1.1001 1.1001 1.5974 1.5974 2.0859 2.0859 2.2557 2.2557 3.1644 3.1644 3.6804 3.6804 3.8804 3.8804 4.3403 4.3403 4.5443 4.5443 5.3589 5.3589 5.8477 5.8477 6.1512 6.1512 6.3739 6.3739 6.4048 6.4048 6.5887 6.5887 6.7879 6.7879 6.8989 6.8989 7.3821 7.3821 7.5022 7.5022 10.1594 10.1594 k = 0.3976 0.4564 0.2776 ( 7706 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3124 -17.3124 -17.3101 -17.3101 -17.1397 -17.1397 -17.1345 -17.1345 -17.1305 -17.1305 -17.1283 -17.1283 -12.4596 -12.4596 -6.4114 -6.4114 -6.2340 -6.2340 1.0479 1.0479 1.5921 1.5921 2.0482 2.0482 2.2653 2.2653 3.1532 3.1532 3.5975 3.5975 3.8906 3.8906 4.3237 4.3237 4.5693 4.5693 5.4023 5.4023 5.8539 5.8539 6.1393 6.1393 6.3791 6.3791 6.4079 6.4079 6.6092 6.6092 6.7594 6.7594 6.8878 6.8878 7.3817 7.3817 7.5319 7.5319 10.1295 10.1295 k = 0.3912 0.4725 0.2950 ( 7712 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3125 -17.3125 -17.3104 -17.3104 -17.1399 -17.1399 -17.1349 -17.1349 -17.1305 -17.1305 -17.1282 -17.1282 -12.4529 -12.4529 -6.4050 -6.4050 -6.2242 -6.2242 0.9958 0.9958 1.5866 1.5866 2.0089 2.0089 2.2736 2.2736 3.1447 3.1447 3.5182 3.5182 3.9012 3.9012 4.3077 4.3077 4.5901 4.5901 5.4457 5.4457 5.8599 5.8599 6.1269 6.1269 6.3775 6.3775 6.4147 6.4147 6.6293 6.6293 6.7372 6.7372 6.8762 6.8762 7.3811 7.3811 7.5615 7.5615 10.0923 10.0923 k = 0.3848 0.4887 0.3123 ( 7704 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3125 -17.3125 -17.3106 -17.3106 -17.1401 -17.1401 -17.1352 -17.1352 -17.1304 -17.1304 -17.1280 -17.1280 -12.4460 -12.4460 -6.3986 -6.3986 -6.2140 -6.2140 0.9442 0.9442 1.5811 1.5811 1.9685 1.9685 2.2800 2.2800 3.1382 3.1382 3.4437 3.4437 3.9120 3.9120 4.2924 4.2924 4.6059 4.6059 5.4892 5.4892 5.8658 5.8658 6.1141 6.1141 6.3709 6.3709 6.4244 6.4244 6.6485 6.6485 6.7217 6.7217 6.8641 6.8641 7.3803 7.3803 7.5905 7.5905 10.0492 10.0492 k = 0.3784 0.5048 0.3297 ( 7702 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3126 -17.3126 -17.3108 -17.3108 -17.1404 -17.1404 -17.1356 -17.1356 -17.1304 -17.1304 -17.1279 -17.1279 -12.4390 -12.4390 -6.3921 -6.3921 -6.2037 -6.2037 0.8935 0.8935 1.5756 1.5756 1.9275 1.9275 2.2843 2.2843 3.1326 3.1326 3.3754 3.3754 3.9230 3.9230 4.2780 4.2780 4.6164 4.6164 5.5326 5.5326 5.8715 5.8715 6.1010 6.1010 6.3613 6.3613 6.4356 6.4356 6.6665 6.6665 6.7128 6.7128 6.8514 6.8514 7.3793 7.3793 7.6185 7.6185 10.0019 10.0019 k = 0.3720 0.5209 0.3470 ( 7710 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3126 -17.3126 -17.3110 -17.3110 -17.1406 -17.1406 -17.1360 -17.1360 -17.1304 -17.1304 -17.1277 -17.1277 -12.4320 -12.4320 -6.3856 -6.3856 -6.1931 -6.1931 0.8437 0.8437 1.5700 1.5700 1.8862 1.8862 2.2860 2.2860 3.1260 3.1260 3.3157 3.3157 3.9342 3.9342 4.2645 4.2645 4.6217 4.6217 5.5757 5.5757 5.8772 5.8772 6.0876 6.0876 6.3498 6.3498 6.4480 6.4480 6.6830 6.6830 6.7101 6.7101 6.8381 6.8381 7.3783 7.3783 7.6450 7.6450 9.9522 9.9522 k = 0.3656 0.5370 0.3644 ( 7706 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3127 -17.3127 -17.3112 -17.3112 -17.1408 -17.1408 -17.1364 -17.1364 -17.1303 -17.1303 -17.1276 -17.1276 -12.4250 -12.4250 -6.3793 -6.3793 -6.1825 -6.1825 0.7951 0.7951 1.5644 1.5644 1.8451 1.8451 2.2847 2.2847 3.1146 3.1146 3.2687 3.2687 3.9453 3.9453 4.2520 4.2520 4.6216 4.6216 5.6186 5.6186 5.8827 5.8827 6.0741 6.0741 6.3369 6.3369 6.4619 6.4619 6.6975 6.6975 6.7135 6.7135 6.8243 6.8243 7.3771 7.3771 7.6697 7.6697 9.9016 9.9016 k = 0.3592 0.5532 0.3817 ( 7694 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3127 -17.3127 -17.3114 -17.3114 -17.1410 -17.1410 -17.1367 -17.1367 -17.1303 -17.1303 -17.1274 -17.1274 -12.4180 -12.4180 -6.3730 -6.3730 -6.1718 -6.1718 0.7481 0.7481 1.5589 1.5589 1.8044 1.8044 2.2800 2.2800 3.0942 3.0942 3.2390 3.2390 3.9564 3.9564 4.2404 4.2404 4.6166 4.6166 5.6611 5.6611 5.8882 5.8882 6.0605 6.0605 6.3230 6.3230 6.4777 6.4777 6.7095 6.7095 6.7223 6.7223 6.8100 6.8100 7.3757 7.3757 7.6924 7.6924 9.8515 9.8515 k = 0.3528 0.5693 0.3991 ( 7688 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3127 -17.3127 -17.3116 -17.3116 -17.1412 -17.1412 -17.1371 -17.1371 -17.1303 -17.1303 -17.1272 -17.1272 -12.4111 -12.4111 -6.3670 -6.3670 -6.1611 -6.1611 0.7027 0.7027 1.5535 1.5535 1.7644 1.7644 2.2720 2.2720 3.0645 3.0645 3.2268 3.2268 3.9674 3.9674 4.2297 4.2297 4.6068 4.6068 5.7030 5.7030 5.8937 5.8937 6.0471 6.0471 6.3082 6.3082 6.4958 6.4958 6.7205 6.7205 6.7342 6.7342 6.7954 6.7954 7.3743 7.3743 7.7127 7.7127 9.8031 9.8031 k = 0.3464 0.5854 0.4164 ( 7684 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3128 -17.3128 -17.3118 -17.3118 -17.1413 -17.1413 -17.1374 -17.1374 -17.1303 -17.1303 -17.1271 -17.1271 -12.4044 -12.4044 -6.3612 -6.3612 -6.1505 -6.1505 0.6591 0.6591 1.5483 1.5483 1.7255 1.7255 2.2604 2.2604 3.0309 3.0309 3.2268 3.2268 3.9782 3.9782 4.2199 4.2199 4.5928 4.5928 5.7443 5.7443 5.8992 5.8992 6.0339 6.0339 6.2927 6.2927 6.5162 6.5162 6.7315 6.7315 6.7469 6.7469 6.7809 6.7809 7.3727 7.3727 7.7304 7.7304 9.7574 9.7574 k = 0.3400 0.6015 0.4338 ( 7682 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3129 -17.3129 -17.3119 -17.3119 -17.1415 -17.1415 -17.1378 -17.1378 -17.1303 -17.1303 -17.1269 -17.1269 -12.3979 -12.3979 -6.3557 -6.3557 -6.1400 -6.1400 0.6175 0.6175 1.5432 1.5432 1.6879 1.6879 2.2456 2.2456 2.9981 2.9981 3.2340 3.2340 3.9886 3.9886 4.2110 4.2110 4.5751 4.5751 5.7848 5.7848 5.9047 5.9047 6.0211 6.0211 6.2768 6.2768 6.5390 6.5390 6.7401 6.7401 6.7605 6.7605 6.7684 6.7684 7.3710 7.3710 7.7454 7.7454 9.7151 9.7151 k = 0.3337 0.6177 0.4511 ( 7670 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3129 -17.3129 -17.3120 -17.3120 -17.1416 -17.1416 -17.1381 -17.1381 -17.1303 -17.1303 -17.1267 -17.1267 -12.3915 -12.3915 -6.3505 -6.3505 -6.1297 -6.1297 0.5781 0.5781 1.5383 1.5383 1.6518 1.6518 2.2280 2.2280 2.9681 2.9681 3.2459 3.2459 3.9987 3.9987 4.2028 4.2028 4.5543 4.5543 5.8241 5.8241 5.9105 5.9105 6.0089 6.0089 6.2606 6.2606 6.5638 6.5638 6.7380 6.7380 6.7653 6.7653 6.7754 6.7754 7.3691 7.3691 7.7575 7.7575 9.6771 9.6771 k = 0.3273 0.6338 0.4685 ( 7684 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3131 -17.3131 -17.3122 -17.3122 -17.1418 -17.1418 -17.1385 -17.1385 -17.1304 -17.1304 -17.1265 -17.1265 -12.3855 -12.3855 -6.3457 -6.3457 -6.1196 -6.1196 0.5409 0.5409 1.5335 1.5335 1.6173 1.6173 2.2083 2.2083 2.9417 2.9417 3.2611 3.2611 4.0082 4.0082 4.1955 4.1955 4.5308 4.5308 5.8617 5.8617 5.9166 5.9166 5.9978 5.9978 6.2444 6.2444 6.5900 6.5900 6.7254 6.7254 6.7712 6.7712 6.7918 6.7918 7.3672 7.3672 7.7666 7.7666 9.6436 9.6436 k = 0.3209 0.6499 0.4858 ( 7688 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3133 -17.3133 -17.3123 -17.3123 -17.1420 -17.1420 -17.1388 -17.1388 -17.1305 -17.1305 -17.1264 -17.1264 -12.3797 -12.3797 -6.3414 -6.3414 -6.1098 -6.1098 0.5060 0.5060 1.5291 1.5291 1.5848 1.5848 2.1872 2.1872 2.9185 2.9185 3.2789 3.2789 4.0170 4.0170 4.1888 4.1888 4.5053 4.5053 5.8955 5.8955 5.9241 5.9241 5.9888 5.9888 6.2282 6.2282 6.6165 6.6165 6.7107 6.7107 6.7783 6.7783 6.8095 6.8095 7.3650 7.3650 7.7728 7.7728 9.6151 9.6151 k = 0.3145 0.6661 0.5032 ( 7696 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3134 -17.3134 -17.3123 -17.3123 -17.1421 -17.1421 -17.1391 -17.1391 -17.1305 -17.1305 -17.1262 -17.1262 -12.3743 -12.3743 -6.3375 -6.3375 -6.1004 -6.1004 0.4737 0.4737 1.5249 1.5249 1.5544 1.5544 2.1657 2.1657 2.8981 2.8981 3.2989 3.2989 4.0252 4.0252 4.1829 4.1829 4.4783 4.4783 5.9189 5.9189 5.9359 5.9359 5.9855 5.9855 6.2124 6.2124 6.6402 6.6402 6.6985 6.6985 6.7847 6.7847 6.8280 6.8280 7.3628 7.3628 7.7761 7.7761 9.5918 9.5918 k = 0.3081 0.6822 0.5205 ( 7690 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3136 -17.3136 -17.3123 -17.3123 -17.1422 -17.1422 -17.1394 -17.1394 -17.1306 -17.1306 -17.1260 -17.1260 -12.3693 -12.3693 -6.3341 -6.3341 -6.0914 -6.0914 0.4438 0.4438 1.5208 1.5208 1.5265 1.5265 2.1446 2.1446 2.8798 2.8798 3.3210 3.3210 4.0325 4.0325 4.1776 4.1776 4.4503 4.4503 5.9292 5.9292 5.9448 5.9448 5.9976 5.9976 6.1972 6.1972 6.6508 6.6508 6.6988 6.6988 6.7901 6.7901 6.8472 6.8472 7.3604 7.3604 7.7765 7.7765 9.5739 9.5739 k = 0.3017 0.6983 0.5379 ( 7702 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3138 -17.3138 -17.3123 -17.3123 -17.1423 -17.1423 -17.1397 -17.1397 -17.1307 -17.1307 -17.1259 -17.1259 -12.3648 -12.3648 -6.3312 -6.3312 -6.0828 -6.0828 0.4166 0.4166 1.5002 1.5002 1.5177 1.5177 2.1248 2.1248 2.8628 2.8628 3.3450 3.3450 4.0388 4.0388 4.1730 4.1730 4.4217 4.4217 5.9350 5.9350 5.9441 5.9441 6.0232 6.0232 6.1831 6.1831 6.6424 6.6424 6.7173 6.7173 6.7946 6.7946 6.8672 6.8672 7.3578 7.3578 7.7743 7.7743 9.5614 9.5614 k = 0.2953 0.7144 0.5552 ( 7694 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3140 -17.3140 -17.3123 -17.3123 -17.1424 -17.1424 -17.1399 -17.1399 -17.1307 -17.1307 -17.1257 -17.1257 -12.3606 -12.3606 -6.3289 -6.3289 -6.0747 -6.0747 0.3921 0.3921 1.4770 1.4770 1.5145 1.5145 2.1069 2.1069 2.8466 2.8466 3.3707 3.3707 4.0440 4.0440 4.1688 4.1688 4.3932 4.3932 5.9331 5.9331 5.9474 5.9474 6.0509 6.0509 6.1706 6.1706 6.6272 6.6272 6.7408 6.7408 6.7979 6.7979 6.8880 6.8880 7.3551 7.3551 7.7695 7.7695 9.5542 9.5542 k = 0.2889 0.7306 0.5726 ( 7696 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3142 -17.3142 -17.3123 -17.3123 -17.1425 -17.1425 -17.1402 -17.1402 -17.1308 -17.1308 -17.1255 -17.1255 -12.3570 -12.3570 -6.3272 -6.3272 -6.0672 -6.0672 0.3704 0.3704 1.4562 1.4562 1.5118 1.5118 2.0917 2.0917 2.8305 2.8305 3.3980 3.3980 4.0480 4.0480 4.1650 4.1650 4.3650 4.3650 5.9273 5.9273 5.9545 5.9545 6.0756 6.0756 6.1615 6.1615 6.6107 6.6107 6.7637 6.7637 6.8003 6.8003 6.9098 6.9098 7.3523 7.3523 7.7624 7.7624 9.5524 9.5524 k = 0.2825 0.7467 0.5899 ( 7704 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3144 -17.3144 -17.3122 -17.3122 -17.1426 -17.1426 -17.1404 -17.1404 -17.1309 -17.1309 -17.1253 -17.1253 -12.3539 -12.3539 -6.3261 -6.3261 -6.0603 -6.0603 0.3514 0.3514 1.4382 1.4382 1.5094 1.5094 2.0797 2.0797 2.8140 2.8140 3.4269 3.4269 4.0506 4.0506 4.1614 4.1614 4.3377 4.3377 5.9215 5.9215 5.9625 5.9625 6.0924 6.0924 6.1593 6.1593 6.5943 6.5943 6.7841 6.7841 6.8018 6.8018 6.9326 6.9326 7.3493 7.3493 7.7533 7.7533 9.5557 9.5557 k = 0.2761 0.7628 0.6073 ( 7712 PWs) bands (ev): -45.2508 -45.2508 -45.2506 -45.2506 -17.3146 -17.3146 -17.3121 -17.3121 -17.1426 -17.1426 -17.1406 -17.1406 -17.1311 -17.1311 -17.1251 -17.1251 -12.3513 -12.3513 -6.3257 -6.3257 -6.0539 -6.0539 0.3352 0.3352 1.4229 1.4229 1.5074 1.5074 2.0714 2.0714 2.7968 2.7968 3.4574 3.4574 4.0518 4.0518 4.1579 4.1579 4.3118 4.3118 5.9164 5.9164 5.9710 5.9710 6.0970 6.0970 6.1674 6.1674 6.5789 6.5789 6.7997 6.7997 6.8038 6.8038 6.9563 6.9563 7.3461 7.3461 7.7423 7.7423 9.5640 9.5640 k = 0.2697 0.7790 0.6246 ( 7712 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3147 -17.3147 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1250 -17.1250 -12.3492 -12.3492 -6.3259 -6.3259 -6.0483 -6.0483 0.3219 0.3219 1.4105 1.4105 1.5058 1.5058 2.0670 2.0670 2.7785 2.7785 3.4892 3.4892 4.0514 4.0514 4.1541 4.1541 4.2880 4.2880 5.9123 5.9123 5.9800 5.9800 6.0931 6.0931 6.1817 6.1817 6.5653 6.5653 6.8008 6.8008 6.8157 6.8157 6.9805 6.9805 7.3429 7.3429 7.7298 7.7298 9.5770 9.5770 k = 0.2697 0.7790 0.6246 ( 7712 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3147 -17.3147 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1250 -17.1250 -12.3492 -12.3492 -6.3259 -6.3259 -6.0483 -6.0483 0.3219 0.3219 1.4105 1.4105 1.5058 1.5058 2.0670 2.0670 2.7785 2.7785 3.4892 3.4892 4.0514 4.0514 4.1541 4.1541 4.2880 4.2880 5.9123 5.9123 5.9800 5.9800 6.0931 6.0931 6.1817 6.1817 6.5653 6.5653 6.8008 6.8008 6.8157 6.8157 6.9805 6.9805 7.3429 7.3429 7.7298 7.7298 9.5770 9.5770 k = 0.2472 0.7748 0.6291 ( 7713 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3148 -17.3148 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1312 -17.1312 -17.1249 -17.1249 -12.3488 -12.3488 -6.3261 -6.3261 -6.0468 -6.0468 0.3189 0.3189 1.4077 1.4077 1.5055 1.5055 2.0674 2.0674 2.7713 2.7713 3.5009 3.5009 4.0507 4.0507 4.1528 4.1528 4.2807 4.2807 5.9115 5.9115 5.9825 5.9825 6.0915 6.0915 6.1855 6.1855 6.5622 6.5622 6.7995 6.7995 6.8192 6.8192 6.9877 6.9877 7.3419 7.3419 7.7264 7.7264 9.5817 9.5817 k = 0.2247 0.7707 0.6335 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3149 -17.3149 -17.3120 -17.3120 -17.1427 -17.1427 -17.1407 -17.1407 -17.1313 -17.1313 -17.1249 -17.1249 -12.3484 -12.3484 -6.3265 -6.3265 -6.0453 -6.0453 0.3159 0.3159 1.4049 1.4049 1.5052 1.5052 2.0696 2.0696 2.7598 2.7598 3.5191 3.5191 4.0494 4.0494 4.1508 4.1508 4.2707 4.2707 5.9107 5.9107 5.9853 5.9853 6.0896 6.0896 6.1894 6.1894 6.5593 6.5593 6.7968 6.7968 6.8230 6.8230 6.9966 6.9966 7.3408 7.3408 7.7232 7.7232 9.5876 9.5876 k = 0.2023 0.7666 0.6380 ( 7722 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3149 -17.3149 -17.3119 -17.3119 -17.1428 -17.1428 -17.1408 -17.1408 -17.1313 -17.1313 -17.1248 -17.1248 -12.3481 -12.3481 -6.3270 -6.3270 -6.0438 -6.0438 0.3131 0.3131 1.4021 1.4021 1.5049 1.5049 2.0734 2.0734 2.7451 2.7451 3.5429 3.5429 4.0471 4.0471 4.1477 4.1477 4.2587 4.2587 5.9100 5.9100 5.9884 5.9884 6.0875 6.0875 6.1932 6.1932 6.5566 6.5566 6.7936 6.7936 6.8265 6.8265 7.0068 7.0068 7.3396 7.3396 7.7202 7.7202 9.5943 9.5943 k = 0.1798 0.7624 0.6424 ( 7725 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3150 -17.3150 -17.3119 -17.3119 -17.1428 -17.1428 -17.1408 -17.1408 -17.1314 -17.1314 -17.1248 -17.1248 -12.3477 -12.3477 -6.3275 -6.3275 -6.0423 -6.0423 0.3103 0.3103 1.3995 1.3995 1.5047 1.5047 2.0786 2.0786 2.7281 2.7281 3.5714 3.5714 4.0435 4.0435 4.1432 4.1432 4.2456 4.2456 5.9093 5.9093 5.9918 5.9918 6.0854 6.0854 6.1968 6.1968 6.5542 6.5542 6.7901 6.7901 6.8294 6.8294 7.0177 7.0177 7.3383 7.3383 7.7175 7.7175 9.6013 9.6013 k = 0.1573 0.7583 0.6468 ( 7723 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3151 -17.3151 -17.3118 -17.3118 -17.1428 -17.1428 -17.1408 -17.1408 -17.1314 -17.1314 -17.1247 -17.1247 -12.3475 -12.3475 -6.3281 -6.3281 -6.0408 -6.0408 0.3078 0.3078 1.3970 1.3970 1.5045 1.5045 2.0847 2.0847 2.7099 2.7099 3.6038 3.6038 4.0381 4.0381 4.1368 4.1368 4.2327 4.2327 5.9088 5.9088 5.9953 5.9953 6.0832 6.0832 6.2002 6.2002 6.5519 6.5519 6.7867 6.7867 6.8319 6.8319 7.0289 7.0289 7.3370 7.3370 7.7152 7.7152 9.6084 9.6084 k = 0.1348 0.7542 0.6513 ( 7715 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3151 -17.3151 -17.3118 -17.3118 -17.1428 -17.1428 -17.1408 -17.1408 -17.1314 -17.1314 -17.1246 -17.1246 -12.3472 -12.3472 -6.3287 -6.3287 -6.0394 -6.0394 0.3055 0.3055 1.3948 1.3948 1.5043 1.5043 2.0914 2.0914 2.6916 2.6916 3.6392 3.6392 4.0297 4.0297 4.1286 4.1286 4.2213 4.2213 5.9083 5.9083 5.9988 5.9988 6.0809 6.0809 6.2032 6.2032 6.5500 6.5500 6.7835 6.7835 6.8340 6.8340 7.0397 7.0397 7.3357 7.3357 7.7132 7.7132 9.6151 9.6151 k = 0.1124 0.7500 0.6557 ( 7712 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3151 -17.3151 -17.3117 -17.3117 -17.1428 -17.1428 -17.1408 -17.1408 -17.1315 -17.1315 -17.1245 -17.1245 -12.3470 -12.3470 -6.3292 -6.3292 -6.0382 -6.0382 0.3035 0.3035 1.3928 1.3928 1.5041 1.5041 2.0984 2.0984 2.6740 2.6740 3.6769 3.6769 4.0172 4.0172 4.1193 4.1193 4.2124 4.2124 5.9079 5.9079 6.0021 6.0021 6.0787 6.0787 6.2060 6.2060 6.5483 6.5483 6.7806 6.7806 6.8357 6.8357 7.0498 7.0498 7.3346 7.3346 7.7117 7.7117 9.6212 9.6212 k = 0.0899 0.7459 0.6602 ( 7712 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3117 -17.3117 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1245 -17.1245 -12.3468 -12.3468 -6.3297 -6.3297 -6.0371 -6.0371 0.3018 0.3018 1.3911 1.3911 1.5040 1.5040 2.1051 2.1051 2.6581 2.6581 3.7160 3.7160 3.9992 3.9992 4.1104 4.1104 4.2060 4.2060 5.9076 5.9076 6.0052 6.0052 6.0767 6.0767 6.2082 6.2082 6.5468 6.5468 6.7781 6.7781 6.8370 6.8370 7.0587 7.0587 7.3336 7.3336 7.7104 7.7104 9.6264 9.6264 k = 0.0674 0.7418 0.6646 ( 7711 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3117 -17.3117 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1245 -17.1245 -12.3467 -12.3467 -6.3301 -6.3301 -6.0363 -6.0363 0.3005 0.3005 1.3897 1.3897 1.5039 1.5039 2.1110 2.1110 2.6447 2.6447 3.7560 3.7560 3.9752 3.9752 4.1034 4.1034 4.2018 4.2018 5.9073 5.9073 6.0078 6.0078 6.0749 6.0749 6.2101 6.2101 6.5457 6.5457 6.7761 6.7761 6.8379 6.8379 7.0660 7.0660 7.3327 7.3327 7.7095 7.7095 9.6307 9.6307 k = 0.0449 0.7376 0.6691 ( 7709 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3116 -17.3116 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1245 -17.1245 -12.3466 -12.3466 -6.3304 -6.3304 -6.0357 -6.0357 0.2995 0.2995 1.3887 1.3887 1.5039 1.5039 2.1156 2.1156 2.6346 2.6346 3.7961 3.7961 3.9460 3.9460 4.0987 4.0987 4.1992 4.1992 5.9072 5.9072 6.0099 6.0099 6.0735 6.0735 6.2114 6.2114 6.5449 6.5449 6.7746 6.7746 6.8386 6.8386 7.0715 7.0715 7.3321 7.3321 7.7089 7.7089 9.6337 9.6337 k = 0.0225 0.7335 0.6735 ( 7705 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3116 -17.3116 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1244 -17.1244 -12.3466 -12.3466 -6.3306 -6.3306 -6.0353 -6.0353 0.2989 0.2989 1.3881 1.3881 1.5038 1.5038 2.1186 2.1186 2.6282 2.6282 3.8353 3.8353 3.9130 3.9130 4.0960 4.0960 4.1977 4.1977 5.9070 5.9070 6.0112 6.0112 6.0726 6.0726 6.2122 6.2122 6.5444 6.5444 6.7737 6.7737 6.8390 6.8390 7.0748 7.0748 7.3317 7.3317 7.7086 7.7086 9.6356 9.6356 k = 0.0000 0.7294 0.6780 ( 7702 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3116 -17.3116 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1244 -17.1244 -12.3465 -12.3465 -6.3307 -6.3307 -6.0351 -6.0351 0.2987 0.2987 1.3879 1.3879 1.5038 1.5038 2.1196 2.1196 2.6261 2.6261 3.8653 3.8653 3.8850 3.8850 4.0952 4.0952 4.1973 4.1973 5.9070 5.9070 6.0116 6.0116 6.0723 6.0723 6.2125 6.2125 6.5443 6.5443 6.7734 6.7734 6.8392 6.8392 7.0759 7.0759 7.3316 7.3316 7.7084 7.7084 9.6362 9.6362 k = 0.0000 0.7294 0.6780 ( 7702 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3116 -17.3116 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1244 -17.1244 -12.3465 -12.3465 -6.3307 -6.3307 -6.0351 -6.0351 0.2987 0.2987 1.3879 1.3879 1.5038 1.5038 2.1196 2.1196 2.6261 2.6261 3.8653 3.8653 3.8850 3.8850 4.0952 4.0952 4.1973 4.1973 5.9070 5.9070 6.0116 6.0116 6.0723 6.0723 6.2125 6.2125 6.5443 6.5443 6.7734 6.7734 6.8392 6.8392 7.0759 7.0759 7.3316 7.3316 7.7084 7.7084 9.6362 9.6362 k = 0.0064 0.7132 0.6954 ( 7702 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3152 -17.3152 -17.3116 -17.3116 -17.1428 -17.1428 -17.1409 -17.1409 -17.1315 -17.1315 -17.1244 -17.1244 -12.3463 -12.3463 -6.3303 -6.3303 -6.0349 -6.0349 0.2982 0.2982 1.3884 1.3884 1.4988 1.4988 2.1226 2.1226 2.6264 2.6264 3.8621 3.8621 3.8850 3.8850 4.0952 4.0952 4.1947 4.1947 5.9084 5.9084 6.0039 6.0039 6.0726 6.0726 6.2185 6.2185 6.5445 6.5445 6.7770 6.7770 6.8393 6.8393 7.0754 7.0754 7.3291 7.3291 7.7106 7.7106 9.6407 9.6407 k = 0.0128 0.6970 0.7127 ( 7710 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3153 -17.3153 -17.3116 -17.3116 -17.1428 -17.1428 -17.1409 -17.1409 -17.1316 -17.1316 -17.1245 -17.1245 -12.3455 -12.3455 -6.3292 -6.3292 -6.0343 -6.0343 0.2968 0.2968 1.3899 1.3899 1.4841 1.4841 2.1312 2.1312 2.6275 2.6275 3.8537 3.8537 3.8837 3.8837 4.0950 4.0950 4.1874 4.1874 5.9122 5.9122 5.9853 5.9853 6.0707 6.0707 6.2352 6.2352 6.5453 6.5453 6.7872 6.7872 6.8398 6.8398 7.0736 7.0736 7.3221 7.3221 7.7172 7.7172 9.6537 9.6537 k = 0.0192 0.6809 0.7301 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3153 -17.3153 -17.3117 -17.3117 -17.1428 -17.1428 -17.1409 -17.1409 -17.1316 -17.1316 -17.1245 -17.1245 -12.3442 -12.3442 -6.3274 -6.3274 -6.0333 -6.0333 0.2945 0.2945 1.3922 1.3922 1.4606 1.4606 2.1448 2.1448 2.6292 2.6292 3.8415 3.8415 3.8800 3.8800 4.0939 4.0939 4.1759 4.1759 5.9171 5.9171 5.9634 5.9634 6.0641 6.0641 6.2594 6.2594 6.5469 6.5469 6.8030 6.8030 6.8408 6.8408 7.0700 7.0700 7.3118 7.3118 7.7280 7.7280 9.6749 9.6749 k = 0.0256 0.6647 0.7475 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3153 -17.3153 -17.3117 -17.3117 -17.1428 -17.1428 -17.1409 -17.1409 -17.1317 -17.1317 -17.1245 -17.1245 -12.3424 -12.3424 -6.3248 -6.3248 -6.0320 -6.0320 0.2913 0.2913 1.3956 1.3956 1.4294 1.4294 2.1622 2.1622 2.6317 2.6317 3.8264 3.8264 3.8734 3.8734 4.0900 4.0900 4.1619 4.1619 5.9156 5.9156 5.9490 5.9490 6.0529 6.0529 6.2877 6.2877 6.5497 6.5497 6.8221 6.8221 6.8432 6.8432 7.0638 7.0638 7.3002 7.3002 7.7426 7.7426 9.7034 9.7034 k = 0.0321 0.6486 0.7649 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3153 -17.3153 -17.3117 -17.3117 -17.1428 -17.1428 -17.1409 -17.1409 -17.1318 -17.1318 -17.1246 -17.1246 -12.3401 -12.3401 -6.3215 -6.3215 -6.0302 -6.0302 0.2872 0.2872 1.3914 1.3914 1.4001 1.4001 2.1826 2.1826 2.6348 2.6348 3.8089 3.8089 3.8638 3.8638 4.0804 4.0804 4.1487 4.1487 5.8976 5.8976 5.9538 5.9538 6.0381 6.0381 6.3181 6.3181 6.5538 6.5538 6.8359 6.8359 6.8540 6.8540 7.0541 7.0541 7.2900 7.2900 7.7608 7.7608 9.7383 9.7383 k = 0.0385 0.6324 0.7823 ( 7724 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3153 -17.3153 -17.3118 -17.3118 -17.1429 -17.1429 -17.1409 -17.1409 -17.1318 -17.1318 -17.1246 -17.1246 -12.3373 -12.3373 -6.3175 -6.3175 -6.0280 -6.0280 0.2821 0.2821 1.3483 1.3483 1.4051 1.4051 2.2049 2.2049 2.6387 2.6387 3.7893 3.7893 3.8512 3.8512 4.0620 4.0620 4.1391 4.1391 5.8742 5.8742 5.9674 5.9674 6.0210 6.0210 6.3492 6.3492 6.5595 6.5595 6.8397 6.8397 6.8758 6.8758 7.0404 7.0404 7.2838 7.2838 7.7819 7.7819 9.7786 9.7786 k = 0.0449 0.6163 0.7997 ( 7726 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3154 -17.3154 -17.3118 -17.3118 -17.1429 -17.1429 -17.1409 -17.1409 -17.1319 -17.1319 -17.1247 -17.1247 -12.3340 -12.3340 -6.3128 -6.3128 -6.0255 -6.0255 0.2762 0.2762 1.3006 1.3006 1.4112 1.4112 2.2286 2.2286 2.6433 2.6433 3.7677 3.7677 3.8358 3.8358 4.0352 4.0352 4.1333 4.1333 5.8510 5.8510 5.9829 5.9829 6.0039 6.0039 6.3801 6.3801 6.5666 6.5666 6.8414 6.8414 6.8973 6.8973 7.0247 7.0247 7.2836 7.2836 7.8055 7.8055 9.8233 9.8233 k = 0.0513 0.6001 0.8170 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3154 -17.3154 -17.3118 -17.3118 -17.1429 -17.1429 -17.1408 -17.1408 -17.1321 -17.1321 -17.1247 -17.1247 -12.3303 -12.3303 -6.3075 -6.3075 -6.0227 -6.0227 0.2693 0.2693 1.2493 1.2493 1.4182 1.4182 2.2529 2.2529 2.6487 2.6487 3.7443 3.7443 3.8177 3.8177 4.0025 4.0025 4.1291 4.1291 5.8291 5.8291 5.9777 5.9777 6.0091 6.0091 6.4103 6.4103 6.5752 6.5752 6.8428 6.8428 6.9100 6.9100 7.0131 7.0131 7.2903 7.2903 7.8309 7.8309 9.8717 9.8717 k = 0.0577 0.5839 0.8344 ( 7714 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3154 -17.3154 -17.3118 -17.3118 -17.1429 -17.1429 -17.1408 -17.1408 -17.1322 -17.1322 -17.1247 -17.1247 -12.3261 -12.3261 -6.3015 -6.3015 -6.0195 -6.0195 0.2616 0.2616 1.1949 1.1949 1.4261 1.4261 2.2776 2.2776 2.6548 2.6548 3.7188 3.7188 3.7971 3.7971 3.9660 3.9660 4.1251 4.1251 5.8090 5.8090 5.9576 5.9576 6.0304 6.0304 6.4396 6.4396 6.5851 6.5851 6.8436 6.8436 6.9053 6.9053 7.0152 7.0152 7.3037 7.3037 7.8574 7.8574 9.9229 9.9229 k = 0.0641 0.5678 0.8518 ( 7716 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3154 -17.3154 -17.3119 -17.3119 -17.1429 -17.1429 -17.1408 -17.1408 -17.1323 -17.1323 -17.1248 -17.1248 -12.3216 -12.3216 -6.2950 -6.2950 -6.0160 -6.0160 0.2529 0.2529 1.1382 1.1382 1.4348 1.4348 2.3024 2.3024 2.6616 2.6616 3.6913 3.6913 3.7739 3.7739 3.9278 3.9278 4.1202 4.1202 5.7906 5.7906 5.9364 5.9364 6.0545 6.0545 6.4679 6.4679 6.5961 6.5961 6.8425 6.8425 6.8858 6.8858 7.0302 7.0302 7.3235 7.3235 7.8844 7.8844 9.9764 9.9764 k = 0.0705 0.5516 0.8692 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2507 -45.2507 -17.3155 -17.3155 -17.3119 -17.3119 -17.1430 -17.1430 -17.1408 -17.1408 -17.1325 -17.1325 -17.1249 -17.1249 -12.3167 -12.3167 -6.2879 -6.2879 -6.0122 -6.0122 0.2434 0.2434 1.0796 1.0796 1.4443 1.4443 2.3270 2.3270 2.6692 2.6692 3.6612 3.6612 3.7485 3.7485 3.8891 3.8891 4.1139 4.1139 5.7740 5.7740 5.9151 5.9151 6.0801 6.0801 6.4951 6.4951 6.6081 6.6081 6.8331 6.8331 6.8670 6.8670 7.0507 7.0507 7.3488 7.3488 7.9112 7.9112 10.0316 10.0316 k = 0.0769 0.5355 0.8866 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3155 -17.3155 -17.3120 -17.3120 -17.1430 -17.1430 -17.1407 -17.1407 -17.1326 -17.1326 -17.1250 -17.1250 -12.3114 -12.3114 -6.2803 -6.2803 -6.0082 -6.0082 0.2330 0.2330 1.0196 1.0196 1.4545 1.4545 2.3512 2.3512 2.6775 2.6775 3.6283 3.6283 3.7211 3.7211 3.8514 3.8514 4.1060 4.1060 5.7590 5.7590 5.8940 5.8940 6.1069 6.1069 6.5211 6.5211 6.6208 6.6208 6.8080 6.8080 6.8616 6.8616 7.0725 7.0725 7.3787 7.3787 7.9372 7.9372 10.0880 10.0880 k = 0.0833 0.5193 0.9040 ( 7720 PWs) bands (ev): -45.2507 -45.2507 -45.2506 -45.2506 -17.3156 -17.3156 -17.3121 -17.3121 -17.1430 -17.1430 -17.1407 -17.1407 -17.1328 -17.1328 -17.1250 -17.1250 -12.3058 -12.3058 -6.2722 -6.2722 -6.0039 -6.0039 0.2218 0.2218 0.9586 0.9586 1.4655 1.4655 2.3751 2.3751 2.6866 2.6866 3.5919 3.5919 3.6924 3.6924 3.8154 3.8154 4.0963 4.0963 5.7454 5.7454 5.8735 5.8735 6.1346 6.1346 6.5459 6.5459 6.6341 6.6341 6.7770 6.7770 6.8625 6.8625 7.0941 7.0941 7.4121 7.4121 7.9618 7.9618 10.1452 10.1452 k = 0.0897 0.5031 0.9213 ( 7718 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3156 -17.3156 -17.3121 -17.3121 -17.1430 -17.1430 -17.1407 -17.1407 -17.1329 -17.1329 -17.1251 -17.1251 -12.2999 -12.2999 -6.2637 -6.2637 -5.9994 -5.9994 0.2098 0.2098 0.8970 0.8970 1.4771 1.4771 2.3985 2.3985 2.6964 2.6964 3.5520 3.5520 3.6629 3.6629 3.7815 3.7815 4.0847 4.0847 5.7329 5.7329 5.8537 5.8537 6.1627 6.1627 6.5696 6.5696 6.6475 6.6475 6.7463 6.7463 6.8655 6.8655 7.1154 7.1154 7.4482 7.4482 7.9847 7.9847 10.2026 10.2026 k = 0.0962 0.4870 0.9387 ( 7718 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3156 -17.3156 -17.3122 -17.3122 -17.1431 -17.1431 -17.1407 -17.1407 -17.1331 -17.1331 -17.1252 -17.1252 -12.2938 -12.2938 -6.2548 -6.2548 -5.9947 -5.9947 0.1970 0.1970 0.8352 0.8352 1.4894 1.4894 2.4214 2.4214 2.7069 2.7069 3.5088 3.5088 3.6333 3.6333 3.7498 3.7498 4.0714 4.0714 5.7214 5.7214 5.8348 5.8348 6.1911 6.1911 6.5917 6.5917 6.6599 6.6599 6.7191 6.7191 6.8695 6.8695 7.1362 7.1362 7.4860 7.4860 8.0053 8.0053 10.2597 10.2597 k = 0.1026 0.4708 0.9561 ( 7720 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3157 -17.3157 -17.3122 -17.3122 -17.1431 -17.1431 -17.1407 -17.1407 -17.1332 -17.1332 -17.1253 -17.1253 -12.2875 -12.2875 -6.2456 -6.2456 -5.9898 -5.9898 0.1836 0.1836 0.7735 0.7735 1.5022 1.5022 2.4436 2.4436 2.7180 2.7180 3.4627 3.4627 3.6041 3.6041 3.7198 3.7198 4.0563 4.0563 5.7106 5.7106 5.8169 5.8169 6.2193 6.2193 6.6113 6.6113 6.6661 6.6661 6.7020 6.7020 6.8743 6.8743 7.1569 7.1569 7.5246 7.5246 8.0234 8.0234 10.3159 10.3159 k = 0.1090 0.4547 0.9735 ( 7718 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3157 -17.3157 -17.3123 -17.3123 -17.1431 -17.1431 -17.1408 -17.1408 -17.1334 -17.1334 -17.1254 -17.1254 -12.2810 -12.2810 -6.2361 -6.2361 -5.9849 -5.9849 0.1696 0.1696 0.7121 0.7121 1.5154 1.5154 2.4653 2.4653 2.7298 2.7298 3.4147 3.4147 3.5755 3.5755 3.6914 3.6914 4.0398 4.0398 5.7003 5.7003 5.8000 5.8000 6.2472 6.2472 6.6231 6.6231 6.6619 6.6619 6.7050 6.7050 6.8801 6.8801 7.1775 7.1775 7.5635 7.5635 8.0388 8.0388 10.3702 10.3702 k = 0.1154 0.4385 0.9909 ( 7722 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3158 -17.3158 -17.3124 -17.3124 -17.1432 -17.1432 -17.1408 -17.1408 -17.1335 -17.1335 -17.1255 -17.1255 -12.2744 -12.2744 -6.2264 -6.2264 -5.9798 -5.9798 0.1550 0.1550 0.6515 0.6515 1.5291 1.5291 2.4863 2.4863 2.7421 2.7421 3.3657 3.3657 3.5474 3.5474 3.6642 3.6642 4.0219 4.0219 5.6903 5.6903 5.7843 5.7843 6.2743 6.2743 6.6161 6.6161 6.6689 6.6689 6.7175 6.7175 6.8868 6.8868 7.1982 7.1982 7.6021 7.6021 8.0513 8.0513 10.4216 10.4216 k = 0.1218 0.4224 1.0083 ( 7716 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3158 -17.3158 -17.3125 -17.3125 -17.1432 -17.1432 -17.1408 -17.1408 -17.1336 -17.1336 -17.1255 -17.1255 -12.2677 -12.2677 -6.2165 -6.2165 -5.9746 -5.9746 0.1400 0.1400 0.5919 0.5919 1.5432 1.5432 2.5066 2.5066 2.7549 2.7549 3.3164 3.3164 3.5200 3.5200 3.6379 3.6379 4.0029 4.0029 5.6806 5.6806 5.7698 5.7698 6.3006 6.3006 6.5998 6.5998 6.6851 6.6851 6.7323 6.7323 6.8944 6.8944 7.2191 7.2191 7.6398 7.6398 8.0610 8.0610 10.4676 10.4676 k = 0.1282 0.4062 1.0256 ( 7718 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3159 -17.3159 -17.3125 -17.3125 -17.1432 -17.1432 -17.1409 -17.1409 -17.1337 -17.1337 -17.1256 -17.1256 -12.2610 -12.2610 -6.2065 -6.2065 -5.9694 -5.9694 0.1246 0.1246 0.5335 0.5335 1.5575 1.5575 2.5262 2.5262 2.7682 2.7682 3.2675 3.2675 3.4933 3.4933 3.6125 3.6125 3.9831 3.9831 5.6709 5.6709 5.7564 5.7564 6.3257 6.3257 6.5830 6.5830 6.7030 6.7030 6.7477 6.7477 6.9029 6.9029 7.2403 7.2403 7.6763 7.6763 8.0679 8.0679 10.4906 10.4907 k = 0.1346 0.3900 1.0430 ( 7726 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3159 -17.3159 -17.3126 -17.3126 -17.1433 -17.1433 -17.1410 -17.1410 -17.1339 -17.1339 -17.1257 -17.1257 -12.2543 -12.2543 -6.1965 -6.1965 -5.9643 -5.9643 0.1089 0.1089 0.4766 0.4766 1.5720 1.5720 2.5449 2.5449 2.7817 2.7817 3.2195 3.2195 3.4672 3.4672 3.5878 3.5878 3.9627 3.9627 5.6613 5.6613 5.7441 5.7441 6.3493 6.3493 6.5677 6.5677 6.7210 6.7210 6.7633 6.7633 6.9124 6.9124 7.2618 7.2618 7.7112 7.7112 8.0721 8.0721 10.4916 10.4916 k = 0.1410 0.3739 1.0604 ( 7726 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3160 -17.3160 -17.3127 -17.3127 -17.1433 -17.1433 -17.1410 -17.1410 -17.1340 -17.1340 -17.1258 -17.1258 -12.2476 -12.2476 -6.1866 -6.1866 -5.9591 -5.9591 0.0930 0.0930 0.4215 0.4215 1.5865 1.5865 2.5629 2.5629 2.7954 2.7954 3.1730 3.1730 3.4419 3.4419 3.5638 3.5638 3.9420 3.9420 5.6519 5.6519 5.7328 5.7328 6.3714 6.3714 6.5543 6.5543 6.7386 6.7386 6.7790 6.7790 6.9229 6.9229 7.2835 7.2835 7.7442 7.7442 8.0738 8.0738 10.4929 10.4929 k = 0.1474 0.3577 1.0778 ( 7732 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3160 -17.3160 -17.3128 -17.3128 -17.1433 -17.1433 -17.1411 -17.1411 -17.1341 -17.1341 -17.1259 -17.1259 -12.2410 -12.2410 -6.1767 -6.1767 -5.9540 -5.9540 0.0772 0.0772 0.3683 0.3683 1.6011 1.6011 2.5799 2.5799 2.8091 2.8091 3.1284 3.1284 3.4175 3.4175 3.5405 3.5405 3.9213 3.9213 5.6426 5.6426 5.7224 5.7224 6.3918 6.3918 6.5428 6.5428 6.7557 6.7557 6.7945 6.7945 6.9341 6.9341 7.3055 7.3055 7.7751 7.7751 8.0733 8.0733 10.4966 10.4966 k = 0.1538 0.3416 1.0952 ( 7736 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3161 -17.3161 -17.3129 -17.3129 -17.1434 -17.1434 -17.1412 -17.1412 -17.1342 -17.1342 -17.1260 -17.1260 -12.2345 -12.2345 -6.1670 -6.1670 -5.9490 -5.9490 0.0613 0.0613 0.3173 0.3173 1.6155 1.6155 2.5960 2.5960 2.8227 2.8227 3.0860 3.0860 3.3940 3.3940 3.5179 3.5179 3.9009 3.9009 5.6335 5.6335 5.7128 5.7128 6.4104 6.4104 6.5331 6.5331 6.7722 6.7722 6.8098 6.8098 6.9460 6.9460 7.3276 7.3276 7.8037 7.8037 8.0709 8.0709 10.5030 10.5030 k = 0.1603 0.3254 1.1126 ( 7738 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3162 -17.3162 -17.3129 -17.3129 -17.1434 -17.1434 -17.1413 -17.1413 -17.1342 -17.1342 -17.1260 -17.1260 -12.2283 -12.2283 -6.1575 -6.1575 -5.9442 -5.9442 0.0457 0.0457 0.2687 0.2687 1.6297 1.6297 2.6111 2.6111 2.8357 2.8357 3.0464 3.0464 3.3715 3.3715 3.4960 3.4960 3.8809 3.8809 5.6247 5.6247 5.7038 5.7038 6.4272 6.4272 6.5251 6.5251 6.7882 6.7882 6.8249 6.8249 6.9585 6.9585 7.3497 7.3497 7.8297 7.8297 8.0669 8.0669 10.5121 10.5121 k = 0.1667 0.3092 1.1299 ( 7742 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3162 -17.3162 -17.3130 -17.3130 -17.1434 -17.1434 -17.1414 -17.1414 -17.1343 -17.1343 -17.1261 -17.1261 -12.2222 -12.2222 -6.1484 -6.1484 -5.9395 -5.9395 0.0304 0.0304 0.2226 0.2226 1.6437 1.6437 2.6250 2.6250 2.8477 2.8477 3.0101 3.0101 3.3503 3.3503 3.4749 3.4749 3.8616 3.8616 5.6162 5.6162 5.6954 5.6954 6.4422 6.4422 6.5186 6.5186 6.8035 6.8035 6.8396 6.8396 6.9714 6.9714 7.3717 7.3717 7.8530 7.8530 8.0617 8.0617 10.5239 10.5239 k = 0.1731 0.2931 1.1473 ( 7744 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3163 -17.3163 -17.3131 -17.3131 -17.1434 -17.1434 -17.1415 -17.1415 -17.1344 -17.1344 -17.1262 -17.1262 -12.2164 -12.2164 -6.1396 -6.1396 -5.9350 -5.9350 0.0156 0.0156 0.1793 0.1793 1.6571 1.6571 2.6378 2.6378 2.8577 2.8577 2.9782 2.9782 3.3304 3.3304 3.4546 3.4546 3.8432 3.8432 5.6082 5.6082 5.6875 5.6875 6.4554 6.4554 6.5133 6.5133 6.8182 6.8182 6.8538 6.8538 6.9844 6.9844 7.3935 7.3935 7.8736 7.8736 8.0557 8.0557 10.5368 10.5368 k = 0.1795 0.2769 1.1647 ( 7744 PWs) bands (ev): -45.2506 -45.2506 -45.2506 -45.2506 -17.3163 -17.3163 -17.3131 -17.3131 -17.1434 -17.1434 -17.1416 -17.1416 -17.1344 -17.1344 -17.1262 -17.1262 -12.2109 -12.2109 -6.1312 -6.1312 -5.9308 -5.9308 0.0014 0.0014 0.1389 0.1389 1.6701 1.6701 2.6492 2.6492 2.8635 2.8635 2.9528 2.9528 3.3120 3.3120 3.4352 3.4352 3.8258 3.8258 5.6007 5.6007 5.6801 5.6801 6.4669 6.4669 6.5091 6.5091 6.8321 6.8321 6.8675 6.8675 6.9973 6.9973 7.4149 7.4149 7.8912 7.8912 8.0492 8.0492 10.5264 10.5264 k = 0.1859 0.2608 1.1821 ( 7736 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3164 -17.3164 -17.3131 -17.3131 -17.1434 -17.1434 -17.1417 -17.1417 -17.1345 -17.1345 -17.1263 -17.1263 -12.2057 -12.2057 -6.1233 -6.1233 -5.9268 -5.9268 -0.0122 -0.0122 0.1015 0.1015 1.6824 1.6824 2.6592 2.6592 2.8616 2.8616 2.9377 2.9377 3.2953 3.2953 3.4167 3.4167 3.8096 3.8096 5.5937 5.5937 5.6731 5.6731 6.4768 6.4768 6.5059 6.5059 6.8452 6.8452 6.8805 6.8805 7.0100 7.0100 7.4357 7.4357 7.9059 7.9059 8.0427 8.0427 10.4968 10.4968 k = 0.1923 0.2446 1.1995 ( 7740 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3164 -17.3164 -17.3132 -17.3132 -17.1434 -17.1434 -17.1418 -17.1418 -17.1345 -17.1345 -17.1263 -17.1263 -12.2010 -12.2010 -6.1160 -6.1160 -5.9231 -5.9231 -0.0249 -0.0249 0.0673 0.0673 1.6940 1.6940 2.6677 2.6677 2.8505 2.8505 2.9342 2.9342 3.2802 3.2802 3.3993 3.3993 3.7947 3.7947 5.5873 5.5873 5.6667 5.6667 6.4852 6.4852 6.5035 6.5035 6.8575 6.8575 6.8928 6.8928 7.0221 7.0221 7.4557 7.4557 7.9176 7.9176 8.0365 8.0365 10.4655 10.4655 k = 0.1987 0.2284 1.2169 ( 7742 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3133 -17.3133 -17.1434 -17.1434 -17.1419 -17.1419 -17.1345 -17.1345 -17.1264 -17.1264 -12.1966 -12.1966 -6.1093 -6.1093 -5.9197 -5.9197 -0.0366 -0.0366 0.0364 0.0364 1.7046 1.7046 2.6745 2.6745 2.8348 2.8348 2.9379 2.9379 3.2671 3.2671 3.3831 3.3831 3.7812 3.7812 5.5814 5.5814 5.6608 5.6608 6.4922 6.4922 6.5018 6.5018 6.8688 6.8688 6.9041 6.9041 7.0336 7.0336 7.4747 7.4747 7.9264 7.9264 8.0309 8.0309 10.4352 10.4352 k = 0.2051 0.2123 1.2342 ( 7742 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3133 -17.3133 -17.1434 -17.1434 -17.1421 -17.1421 -17.1346 -17.1346 -17.1264 -17.1264 -12.1927 -12.1927 -6.1032 -6.1032 -5.9166 -5.9166 -0.0474 -0.0474 0.0089 0.0089 1.7144 1.7144 2.6794 2.6794 2.8190 2.8190 2.9442 2.9442 3.2558 3.2558 3.3681 3.3681 3.7691 3.7691 5.5762 5.5762 5.6554 5.6554 6.4971 6.4971 6.5015 6.5015 6.8790 6.8790 6.9145 6.9145 7.0442 7.0442 7.4924 7.4924 7.9324 7.9324 8.0262 8.0262 10.4069 10.4069 k = 0.2115 0.1961 1.2516 ( 7744 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3133 -17.3133 -17.1434 -17.1434 -17.1422 -17.1422 -17.1346 -17.1346 -17.1264 -17.1264 -12.1892 -12.1892 -6.0979 -6.0979 -5.9140 -5.9140 -0.0570 -0.0570 -0.0150 -0.0150 1.7230 1.7230 2.6824 2.6824 2.8053 2.8053 2.9511 2.9511 3.2464 3.2464 3.3545 3.3545 3.7586 3.7586 5.5715 5.5715 5.6507 5.6507 6.4981 6.4981 6.5045 6.5045 6.8881 6.8881 6.9237 6.9237 7.0537 7.0537 7.5086 7.5086 7.9360 7.9360 8.0225 8.0225 10.3817 10.3817 k = 0.2179 0.1800 1.2690 ( 7734 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3133 -17.3133 -17.1433 -17.1433 -17.1422 -17.1422 -17.1346 -17.1346 -17.1264 -17.1264 -12.1862 -12.1862 -6.0933 -6.0933 -5.9116 -5.9116 -0.0654 -0.0654 -0.0352 -0.0352 1.7305 1.7305 2.6836 2.6836 2.7944 2.7944 2.9575 2.9575 3.2390 3.2390 3.3425 3.3425 3.7496 3.7496 5.5675 5.5675 5.6466 5.6466 6.4978 6.4978 6.5081 6.5081 6.8959 6.8959 6.9317 6.9317 7.0620 7.0620 7.5230 7.5230 7.9377 7.9377 8.0196 8.0196 10.3599 10.3599 k = 0.2244 0.1638 1.2864 ( 7736 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3133 -17.3133 -17.1433 -17.1433 -17.1423 -17.1423 -17.1346 -17.1346 -17.1265 -17.1265 -12.1837 -12.1837 -6.0895 -6.0895 -5.9097 -5.9097 -0.0727 -0.0727 -0.0516 -0.0516 1.7367 1.7367 2.6834 2.6834 2.7864 2.7864 2.9630 2.9630 3.2333 3.2333 3.3322 3.3322 3.7422 3.7422 5.5642 5.5642 5.6432 5.6432 6.4975 6.4975 6.5111 6.5111 6.9025 6.9025 6.9384 6.9384 7.0690 7.0690 7.5352 7.5352 7.9381 7.9381 8.0176 8.0176 10.3419 10.3419 k = 0.2308 0.1477 1.3038 ( 7728 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1818 -12.1818 -6.0865 -6.0865 -5.9082 -5.9082 -0.0789 -0.0789 -0.0639 -0.0639 1.7417 1.7417 2.6822 2.6822 2.7811 2.7811 2.9674 2.9674 3.2292 3.2292 3.3238 3.3238 3.7365 3.7365 5.5616 5.5616 5.6406 5.6406 6.4972 6.4972 6.5134 6.5134 6.9076 6.9076 6.9437 6.9437 7.0746 7.0746 7.5451 7.5451 7.9378 7.9378 8.0161 8.0161 10.3278 10.3278 k = 0.2372 0.1315 1.3212 ( 7728 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1804 -12.1804 -6.0843 -6.0843 -5.9072 -5.9072 -0.0840 -0.0840 -0.0720 -0.0720 1.7453 1.7453 2.6807 2.6807 2.7778 2.7778 2.9707 2.9707 3.2266 3.2266 3.3176 3.3176 3.7323 3.7323 5.5597 5.5597 5.6386 5.6386 6.4971 6.4971 6.5150 6.5150 6.9113 6.9113 6.9475 6.9475 7.0786 7.0786 7.5524 7.5524 7.9372 7.9372 8.0151 8.0151 10.3177 10.3177 k = 0.2436 0.1153 1.3385 ( 7724 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1796 -12.1796 -6.0830 -6.0830 -5.9065 -5.9065 -0.0876 -0.0876 -0.0764 -0.0764 1.7474 1.7474 2.6796 2.6796 2.7760 2.7760 2.9726 2.9726 3.2251 3.2251 3.3138 3.3138 3.7299 3.7299 5.5586 5.5586 5.6375 5.6375 6.4970 6.4970 6.5160 6.5160 6.9136 6.9136 6.9498 6.9498 7.0811 7.0811 7.5568 7.5568 7.9367 7.9367 8.0145 8.0145 10.3117 10.3117 k = 0.2500 0.0992 1.3559 ( 7720 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0889 -0.0889 -0.0778 -0.0778 1.7481 1.7481 2.6791 2.6791 2.7755 2.7755 2.9732 2.9732 3.2246 3.2246 3.3125 3.3125 3.7290 3.7290 5.5582 5.5582 5.6371 5.6371 6.4970 6.4970 6.5163 6.5163 6.9143 6.9143 6.9506 6.9506 7.0819 7.0819 7.5583 7.5583 7.9365 7.9365 8.0144 8.0144 10.3097 10.3097 k = 0.2500 0.0992 1.3559 ( 7720 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0889 -0.0889 -0.0778 -0.0778 1.7481 1.7481 2.6791 2.6791 2.7755 2.7755 2.9732 2.9732 3.2246 3.2246 3.3125 3.3125 3.7290 3.7290 5.5582 5.5582 5.6371 5.6371 6.4970 6.4970 6.5163 6.5163 6.9143 6.9143 6.9506 6.9506 7.0819 7.0819 7.5583 7.5583 7.9365 7.9365 8.0144 8.0144 10.3097 10.3097 k = 0.2708 0.1074 1.3470 ( 7718 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0826 -6.0826 -5.9063 -5.9063 -0.0887 -0.0887 -0.0776 -0.0776 1.7481 1.7481 2.6785 2.6785 2.7770 2.7770 2.9728 2.9728 3.2211 3.2211 3.3159 3.3159 3.7292 3.7292 5.5582 5.5582 5.6371 5.6371 6.4970 6.4970 6.5162 6.5162 6.9130 6.9130 6.9515 6.9515 7.0818 7.0818 7.5583 7.5583 7.9314 7.9314 8.0202 8.0202 10.3010 10.3010 k = 0.2917 0.1157 1.3382 ( 7719 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1794 -12.1794 -6.0828 -6.0828 -5.9064 -5.9064 -0.0883 -0.0883 -0.0770 -0.0770 1.7478 1.7478 2.6766 2.6766 2.7816 2.7816 2.9713 2.9713 3.2120 3.2120 3.3246 3.3246 3.7297 3.7297 5.5579 5.5579 5.6374 5.6374 6.4970 6.4970 6.5161 6.5161 6.9103 6.9103 6.9532 6.9532 7.0815 7.0815 7.5581 7.5581 7.9186 7.9186 8.0348 8.0348 10.2777 10.2777 k = 0.3125 0.1240 1.3293 ( 7710 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1425 -17.1425 -17.1346 -17.1346 -17.1265 -17.1265 -12.1796 -12.1796 -6.0830 -6.0830 -5.9066 -5.9066 -0.0876 -0.0876 -0.0760 -0.0760 1.7474 1.7474 2.6739 2.6739 2.7887 2.7887 2.9689 2.9689 3.2001 3.2001 3.3360 3.3360 3.7306 3.7306 5.5575 5.5575 5.6379 5.6379 6.4971 6.4971 6.5159 6.5159 6.9066 6.9066 6.9551 6.9551 7.0810 7.0810 7.5577 7.5577 7.9030 7.9030 8.0532 8.0532 10.2453 10.2453 k = 0.3333 0.1322 1.3204 ( 7712 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1432 -17.1432 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1799 -12.1799 -6.0834 -6.0834 -5.9068 -5.9068 -0.0866 -0.0866 -0.0746 -0.0746 1.7468 1.7468 2.6710 2.6710 2.7978 2.7978 2.9655 2.9655 3.1871 3.1871 3.3484 3.3484 3.7318 3.7318 5.5570 5.5570 5.6385 5.6385 6.4972 6.4972 6.5156 6.5156 6.9025 6.9025 6.9569 6.9569 7.0803 7.0803 7.5569 7.5569 7.8870 7.8870 8.0724 8.0724 10.2096 10.2096 k = 0.3542 0.1405 1.3115 ( 7716 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1802 -12.1802 -6.0838 -6.0838 -5.9071 -5.9071 -0.0854 -0.0854 -0.0727 -0.0727 1.7460 1.7460 2.6682 2.6682 2.8084 2.8084 2.9613 2.9613 3.1741 3.1741 3.3606 3.3606 3.7334 3.7334 5.5565 5.5565 5.6391 5.6391 6.4973 6.4973 6.5153 6.5153 6.8983 6.8983 6.9583 6.9583 7.0794 7.0794 7.5556 7.5556 7.8718 7.8718 8.0908 8.0908 10.1750 10.1750 k = 0.3750 0.1488 1.3026 ( 7713 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1806 -12.1806 -6.0844 -6.0844 -5.9075 -5.9075 -0.0839 -0.0839 -0.0704 -0.0704 1.7450 1.7450 2.6657 2.6657 2.8200 2.8200 2.9563 2.9563 3.1618 3.1618 3.3721 3.3721 3.7353 3.7353 5.5561 5.5561 5.6397 5.6397 6.4975 6.4975 6.5148 6.5148 6.8942 6.8942 6.9593 6.9593 7.0783 7.0783 7.5537 7.5537 7.8578 7.8578 8.1074 8.1074 10.1443 10.1443 k = 0.3958 0.1570 1.2937 ( 7712 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1811 -12.1811 -6.0850 -6.0850 -5.9080 -5.9080 -0.0821 -0.0821 -0.0678 -0.0678 1.7438 1.7438 2.6638 2.6638 2.8320 2.8320 2.9509 2.9509 3.1508 3.1508 3.3825 3.3825 3.7376 3.7376 5.5558 5.5558 5.6403 5.6403 6.4978 6.4978 6.5144 6.5144 6.8904 6.8904 6.9597 6.9597 7.0769 7.0769 7.5511 7.5511 7.8455 7.8455 8.1213 8.1213 10.1197 10.1197 k = 0.4167 0.1653 1.2848 ( 7715 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1816 -12.1816 -6.0857 -6.0857 -5.9086 -5.9086 -0.0800 -0.0800 -0.0647 -0.0647 1.7424 1.7424 2.6626 2.6626 2.8438 2.8438 2.9454 2.9454 3.1413 3.1413 3.3915 3.3915 3.7401 3.7401 5.5558 5.5558 5.6409 5.6409 6.4981 6.4981 6.5138 6.5138 6.8870 6.8870 6.9596 6.9596 7.0754 7.0754 7.5477 7.5477 7.8349 7.8349 8.1321 8.1321 10.1020 10.1020 k = 0.4375 0.1736 1.2759 ( 7710 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1822 -12.1822 -6.0866 -6.0866 -5.9093 -5.9093 -0.0776 -0.0776 -0.0613 -0.0613 1.7408 1.7408 2.6622 2.6622 2.8544 2.8544 2.9405 2.9405 3.1337 3.1337 3.3989 3.3989 3.7428 3.7428 5.5561 5.5561 5.6413 5.6413 6.4985 6.4985 6.5132 6.5132 6.8843 6.8843 6.9587 6.9587 7.0736 7.0736 7.5435 7.5435 7.8263 7.8263 8.1393 8.1393 10.0920 10.0920 k = 0.4583 0.1818 1.2670 ( 7708 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1829 -12.1829 -6.0875 -6.0875 -5.9100 -5.9100 -0.0749 -0.0749 -0.0576 -0.0576 1.7389 1.7389 2.6627 2.6627 2.8624 2.8624 2.9373 2.9373 3.1284 3.1284 3.4046 3.4046 3.7458 3.7458 5.5567 5.5567 5.6417 5.6417 6.4989 6.4989 6.5126 6.5126 6.8821 6.8821 6.9571 6.9571 7.0716 7.0716 7.5384 7.5384 7.8197 7.8197 8.1429 8.1429 10.0895 10.0895 k = 0.4792 0.1901 1.2581 ( 7694 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3133 -17.3133 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1837 -12.1837 -6.0885 -6.0885 -5.9108 -5.9108 -0.0718 -0.0718 -0.0535 -0.0535 1.7370 1.7370 2.6640 2.6640 2.8664 2.8664 2.9368 2.9368 3.1259 3.1259 3.4085 3.4085 3.7490 3.7490 5.5576 5.5576 5.6421 5.6421 6.4994 6.4994 6.5118 6.5118 6.8807 6.8807 6.9549 6.9549 7.0693 7.0693 7.5325 7.5325 7.8152 7.8152 8.1431 8.1431 10.0944 10.0944 k = 0.5000 0.1984 1.2492 ( 7698 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3133 -17.3133 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1845 -12.1845 -6.0896 -6.0896 -5.9116 -5.9116 -0.0684 -0.0684 -0.0490 -0.0490 1.7348 1.7348 2.6662 2.6662 2.8659 2.8659 2.9391 2.9391 3.1265 3.1265 3.4106 3.4106 3.7523 3.7523 5.5589 5.5589 5.6425 5.6425 6.4999 6.4999 6.5110 6.5110 6.8801 6.8801 6.9518 6.9518 7.0668 7.0668 7.5257 7.5257 7.8127 7.8127 8.1402 8.1402 10.1059 10.1059 k = 0.5000 0.1984 1.2492 ( 7698 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3133 -17.3133 -17.1431 -17.1431 -17.1424 -17.1424 -17.1344 -17.1344 -17.1265 -17.1265 -12.1845 -12.1845 -6.0896 -6.0896 -5.9116 -5.9116 -0.0684 -0.0684 -0.0490 -0.0490 1.7348 1.7348 2.6662 2.6662 2.8659 2.8659 2.9391 2.9391 3.1265 3.1265 3.4106 3.4106 3.7523 3.7523 5.5589 5.5589 5.6425 5.6425 6.4999 6.4999 6.5110 6.5110 6.8801 6.8801 6.9518 6.9518 7.0668 7.0668 7.5257 7.5257 7.8127 7.8127 8.1402 8.1402 10.1059 10.1059 k = 0.5000 0.1984 1.2243 ( 7706 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3134 -17.3134 -17.1432 -17.1432 -17.1423 -17.1423 -17.1343 -17.1343 -17.1265 -17.1265 -12.1873 -12.1873 -6.0932 -6.0932 -5.9144 -5.9144 -0.0573 -0.0573 -0.0346 -0.0346 1.7281 1.7281 2.6744 2.6744 2.8585 2.8585 2.9490 2.9490 3.1335 3.1335 3.4141 3.4141 3.7631 3.7631 5.5630 5.5630 5.6440 5.6440 6.5015 6.5015 6.5085 6.5085 6.8791 6.8791 6.9411 6.9411 7.0588 7.0588 7.5038 7.5038 7.8082 7.8082 8.1269 8.1269 10.1511 10.1511 k = 0.5000 0.1984 1.1993 ( 7718 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3164 -17.3164 -17.3134 -17.3134 -17.1433 -17.1433 -17.1422 -17.1422 -17.1343 -17.1343 -17.1266 -17.1266 -12.1905 -12.1905 -6.0976 -6.0976 -5.9178 -5.9178 -0.0439 -0.0439 -0.0172 -0.0172 1.7205 1.7205 2.6840 2.6840 2.8509 2.8509 2.9593 2.9593 3.1416 3.1416 3.4184 3.4184 3.7765 3.7765 5.5672 5.5672 5.6466 5.6466 6.5031 6.5031 6.5057 6.5057 6.8774 6.8774 6.9288 6.9288 7.0492 7.0492 7.4780 7.4780 7.8028 7.8028 8.1118 8.1118 10.2047 10.2047 k = 0.5000 0.1984 1.1743 ( 7718 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3163 -17.3163 -17.3134 -17.3134 -17.1433 -17.1433 -17.1420 -17.1420 -17.1342 -17.1342 -17.1266 -17.1266 -12.1944 -12.1944 -6.1026 -6.1026 -5.9217 -5.9217 -0.0284 -0.0284 0.0031 0.0031 1.7123 1.7123 2.6948 2.6948 2.8434 2.8434 2.9699 2.9699 3.1505 3.1505 3.4233 3.4233 3.7927 3.7927 5.5708 5.5708 5.6509 5.6509 6.5011 6.5011 6.5064 6.5064 6.8744 6.8744 6.9155 6.9155 7.0382 7.0382 7.4488 7.4488 7.7963 7.7963 8.0951 8.0951 10.2661 10.2661 k = 0.5000 0.1984 1.1493 ( 7726 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3162 -17.3162 -17.3134 -17.3134 -17.1434 -17.1434 -17.1419 -17.1419 -17.1341 -17.1341 -17.1266 -17.1266 -12.1987 -12.1987 -6.1083 -6.1083 -5.9262 -5.9262 -0.0108 -0.0108 0.0263 0.0263 1.7040 1.7040 2.7064 2.7064 2.8365 2.8365 2.9805 2.9805 3.1601 3.1601 3.4288 3.4288 3.8118 3.8118 5.5734 5.5734 5.6573 5.6573 6.4971 6.4971 6.5091 6.5091 6.8685 6.8685 6.9030 6.9030 7.0258 7.0258 7.4167 7.4167 7.7888 7.7888 8.0772 8.0772 10.3348 10.3348 k = 0.5000 0.1984 1.1243 ( 7730 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3161 -17.3161 -17.3134 -17.3134 -17.1434 -17.1434 -17.1418 -17.1418 -17.1341 -17.1341 -17.1266 -17.1266 -12.2036 -12.2036 -6.1147 -6.1147 -5.9313 -5.9313 0.0090 0.0090 0.0522 0.0522 1.6956 1.6956 2.7180 2.7180 2.8310 2.8310 2.9911 2.9911 3.1699 3.1699 3.4349 3.4349 3.8340 3.8340 5.5745 5.5745 5.6662 5.6662 6.4925 6.4925 6.5124 6.5124 6.8574 6.8574 6.8936 6.8936 7.0122 7.0122 7.3820 7.3820 7.7801 7.7801 8.0585 8.0585 10.4103 10.4103 k = 0.5000 0.1984 1.0993 ( 7738 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3161 -17.3161 -17.3134 -17.3134 -17.1434 -17.1434 -17.1416 -17.1416 -17.1340 -17.1340 -17.1267 -17.1267 -12.2089 -12.2089 -6.1217 -6.1217 -5.9369 -5.9369 0.0309 0.0309 0.0808 0.0808 1.6875 1.6875 2.7282 2.7282 2.8281 2.8281 3.0016 3.0016 3.1799 3.1799 3.4417 3.4417 3.8594 3.8594 5.5740 5.5740 5.6777 5.6777 6.4875 6.4875 6.5163 6.5163 6.8407 6.8407 6.8877 6.8877 6.9975 6.9975 7.3452 7.3452 7.7703 7.7703 8.0392 8.0392 10.4921 10.4921 k = 0.5000 0.1984 1.0743 ( 7742 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3160 -17.3160 -17.3134 -17.3134 -17.1434 -17.1434 -17.1415 -17.1415 -17.1339 -17.1339 -17.1267 -17.1267 -12.2148 -12.2148 -6.1292 -6.1292 -5.9430 -5.9430 0.0548 0.0548 0.1118 0.1118 1.6800 1.6800 2.7352 2.7352 2.8299 2.8299 3.0120 3.0120 3.1895 3.1895 3.4489 3.4489 3.8879 3.8879 5.5719 5.5719 5.6915 5.6915 6.4821 6.4821 6.5207 6.5207 6.8203 6.8203 6.8834 6.8834 6.9820 6.9820 7.3067 7.3067 7.7593 7.7593 8.0196 8.0196 10.5797 10.5797 k = 0.5000 0.1984 1.0494 ( 7746 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3158 -17.3158 -17.3134 -17.3134 -17.1434 -17.1434 -17.1413 -17.1413 -17.1338 -17.1338 -17.1268 -17.1268 -12.2210 -12.2210 -6.1372 -6.1372 -5.9497 -5.9497 0.0808 0.0808 0.1452 0.1452 1.6733 1.6733 2.7375 2.7375 2.8376 2.8376 3.0224 3.0224 3.1987 3.1987 3.4568 3.4568 3.9196 3.9196 5.5685 5.5685 5.7076 5.7076 6.4762 6.4762 6.5256 6.5256 6.7976 6.7976 6.8791 6.8791 6.9662 6.9662 7.2669 7.2669 7.7470 7.7470 7.9999 7.9999 10.6727 10.6727 k = 0.5000 0.1984 1.0244 ( 7726 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3157 -17.3157 -17.3133 -17.3133 -17.1433 -17.1433 -17.1411 -17.1411 -17.1337 -17.1337 -17.1268 -17.1268 -12.2278 -12.2278 -6.1458 -6.1458 -5.9569 -5.9569 0.1088 0.1088 0.1808 0.1808 1.6676 1.6676 2.7350 2.7350 2.8514 2.8514 3.0331 3.0331 3.2073 3.2073 3.4652 3.4652 3.9544 3.9544 5.5638 5.5638 5.7256 5.7256 6.4700 6.4700 6.5312 6.5312 6.7732 6.7732 6.8738 6.8738 6.9505 6.9505 7.2263 7.2263 7.7334 7.7334 7.9803 7.9803 10.7704 10.7704 k = 0.5000 0.1984 0.9994 ( 7718 PWs) bands (ev): -45.2506 -45.2506 -45.2505 -45.2505 -17.3155 -17.3155 -17.3133 -17.3133 -17.1433 -17.1433 -17.1409 -17.1409 -17.1335 -17.1335 -17.1268 -17.1268 -12.2349 -12.2349 -6.1548 -6.1548 -5.9646 -5.9646 0.1387 0.1387 0.2184 0.2184 1.6632 1.6632 2.7289 2.7289 2.8697 2.8697 3.0443 3.0443 3.2150 3.2150 3.4741 3.4741 3.9920 3.9920 5.5579 5.5579 5.7453 5.7453 6.4635 6.4635 6.5374 6.5374 6.7477 6.7477 6.8662 6.8662 6.9360 6.9360 7.1853 7.1853 7.7184 7.7184 7.9608 7.9608 10.8725 10.8725 k = 0.5000 0.1984 0.9744 ( 7716 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3154 -17.3154 -17.3132 -17.3132 -17.1432 -17.1432 -17.1407 -17.1407 -17.1334 -17.1334 -17.1268 -17.1268 -12.2424 -12.2424 -6.1642 -6.1642 -5.9728 -5.9728 0.1705 0.1705 0.2579 0.2579 1.6601 1.6601 2.7205 2.7205 2.8911 2.8911 3.0564 3.0564 3.2219 3.2219 3.4836 3.4836 4.0322 4.0322 5.5510 5.5510 5.7667 5.7667 6.4567 6.4567 6.5443 6.5443 6.7212 6.7212 6.8551 6.8551 6.9236 6.9236 7.1442 7.1442 7.7018 7.7018 7.9416 7.9416 10.9784 10.9784 k = 0.5000 0.1984 0.9494 ( 7722 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3152 -17.3152 -17.3132 -17.3132 -17.1432 -17.1432 -17.1405 -17.1405 -17.1333 -17.1333 -17.1269 -17.1269 -12.2503 -12.2503 -6.1740 -6.1740 -5.9815 -5.9815 0.2041 0.2041 0.2991 0.2991 1.6586 1.6586 2.7106 2.7106 2.9143 2.9143 3.0701 3.0701 3.2278 3.2278 3.4935 3.4935 4.0747 4.0747 5.5429 5.5429 5.7894 5.7894 6.4497 6.4497 6.5518 6.5518 6.6942 6.6942 6.8399 6.8399 6.9142 6.9142 7.1037 7.1037 7.6838 7.6838 7.9228 7.9228 11.0870 11.0870 k = 0.5000 0.1984 0.9244 ( 7722 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3151 -17.3151 -17.3132 -17.3132 -17.1431 -17.1431 -17.1403 -17.1403 -17.1331 -17.1331 -17.1269 -17.1269 -12.2585 -12.2585 -6.1841 -6.1841 -5.9906 -5.9906 0.2395 0.2395 0.3419 0.3419 1.6588 1.6588 2.6997 2.6997 2.9384 2.9384 3.0858 3.0858 3.2329 3.2329 3.5040 3.5040 4.1192 4.1192 5.5338 5.5338 5.8134 5.8134 6.4423 6.4423 6.5598 6.5598 6.6670 6.6670 6.8207 6.8207 6.9072 6.9072 7.0640 7.0640 7.6642 7.6642 7.9042 7.9042 11.1594 11.1594 k = 0.5000 0.1984 0.8995 ( 7728 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3149 -17.3149 -17.3132 -17.3132 -17.1431 -17.1431 -17.1401 -17.1401 -17.1330 -17.1330 -17.1270 -17.1270 -12.2671 -12.2671 -6.1944 -6.1944 -6.0002 -6.0002 0.2766 0.2766 0.3860 0.3860 1.6607 1.6607 2.6880 2.6880 2.9625 2.9625 3.1043 3.1043 3.2373 3.2373 3.5149 3.5149 4.1653 4.1653 5.5235 5.5235 5.8385 5.8385 6.4348 6.4348 6.5680 6.5680 6.6401 6.6401 6.7982 6.7982 6.9019 6.9019 7.0259 7.0259 7.6429 7.6429 7.8860 7.8860 11.1681 11.1682 k = 0.5000 0.1984 0.8745 ( 7732 PWs) bands (ev): -45.2507 -45.2507 -45.2505 -45.2505 -17.3147 -17.3147 -17.3132 -17.3132 -17.1430 -17.1430 -17.1398 -17.1398 -17.1329 -17.1329 -17.1271 -17.1271 -12.2759 -12.2759 -6.2051 -6.2051 -6.0102 -6.0102 0.3153 0.3153 0.4312 0.4312 1.6645 1.6645 2.6756 2.6756 2.9860 2.9860 3.1264 3.1264 3.2412 3.2412 3.5261 3.5261 4.2126 4.2126 5.5122 5.5122 5.8647 5.8647 6.4270 6.4270 6.5743 6.5743 6.6158 6.6158 6.7731 6.7731 6.8973 6.8973 6.9898 6.9898 7.6199 7.6199 7.8681 7.8681 11.1770 11.1770 k = 0.5000 0.1984 0.8495 ( 7728 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3145 -17.3145 -17.3131 -17.3131 -17.1429 -17.1429 -17.1396 -17.1396 -17.1328 -17.1328 -17.1271 -17.1271 -12.2849 -12.2849 -6.2159 -6.2159 -6.0205 -6.0205 0.3556 0.3556 0.4775 0.4775 1.6703 1.6703 2.6627 2.6627 3.0082 3.0082 3.1524 3.1524 3.2449 3.2449 3.5378 3.5378 4.2607 4.2607 5.4997 5.4997 5.8918 5.8918 6.4190 6.4190 6.5688 6.5688 6.6038 6.6038 6.7459 6.7459 6.8927 6.8927 6.9567 6.9567 7.5952 7.5952 7.8505 7.8505 11.1874 11.1874 k = 0.5000 0.1984 0.8245 ( 7734 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3144 -17.3144 -17.3130 -17.3130 -17.1428 -17.1428 -17.1394 -17.1394 -17.1326 -17.1326 -17.1272 -17.1272 -12.2942 -12.2942 -6.2269 -6.2269 -6.0312 -6.0312 0.3973 0.3973 0.5245 0.5245 1.6782 1.6782 2.6492 2.6492 3.0289 3.0289 3.1826 3.1826 3.2487 3.2487 3.5497 3.5497 4.3090 4.3090 5.4860 5.4860 5.9197 5.9197 6.4108 6.4108 6.5469 6.5469 6.6086 6.6086 6.7175 6.7175 6.8867 6.8867 6.9280 6.9280 7.5687 7.5687 7.8330 7.8330 11.1982 11.1982 k = 0.5000 0.1984 0.7995 ( 7738 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3142 -17.3142 -17.3130 -17.3130 -17.1427 -17.1427 -17.1391 -17.1391 -17.1325 -17.1325 -17.1272 -17.1272 -12.3037 -12.3037 -6.2380 -6.2380 -6.0422 -6.0422 0.4403 0.4403 0.5720 0.5720 1.6880 1.6880 2.6351 2.6351 3.0481 3.0481 3.2168 3.2168 3.2531 3.2531 3.5618 3.5618 4.3572 4.3572 5.4712 5.4712 5.9482 5.9482 6.4023 6.4023 6.5209 6.5209 6.6165 6.6165 6.6899 6.6899 6.8760 6.8760 6.9069 6.9069 7.5405 7.5405 7.8157 7.8157 11.1867 11.1867 k = 0.5000 0.1984 0.7745 ( 7744 PWs) bands (ev): -45.2508 -45.2508 -45.2505 -45.2505 -17.3141 -17.3141 -17.3129 -17.3129 -17.1426 -17.1426 -17.1389 -17.1389 -17.1324 -17.1324 -17.1273 -17.1273 -12.3133 -12.3133 -6.2491 -6.2491 -6.0535 -6.0535 0.4847 0.4847 0.6200 0.6200 1.6999 1.6999 2.6205 2.6205 3.0658 3.0658 3.2542 3.2542 3.2591 3.2591 3.5742 3.5742 4.4046 4.4046 5.4551 5.4551 5.9773 5.9773 6.3935 6.3935 6.4944 6.4944 6.6170 6.6170 6.6702 6.6702 6.8586 6.8586 6.8956 6.8956 7.5105 7.5105 7.7985 7.7985 11.1326 11.1326 k = 0.5000 0.1984 0.7495 ( 7736 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3139 -17.3139 -17.3128 -17.3128 -17.1424 -17.1424 -17.1385 -17.1385 -17.1323 -17.1323 -17.1274 -17.1274 -12.3230 -12.3230 -6.2603 -6.2603 -6.0651 -6.0651 0.5302 0.5302 0.6681 0.6681 1.7139 1.7139 2.6052 2.6052 3.0821 3.0821 3.2663 3.2663 3.2955 3.2955 3.5865 3.5865 4.4509 4.4509 5.4379 5.4379 6.0068 6.0068 6.3841 6.3841 6.4683 6.4683 6.5984 6.5984 6.6703 6.6703 6.8392 6.8392 6.8893 6.8893 7.4787 7.4787 7.7811 7.7811 11.0773 11.0773 k = 0.5000 0.1984 0.7246 ( 7728 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3137 -17.3137 -17.3127 -17.3127 -17.1423 -17.1423 -17.1382 -17.1382 -17.1321 -17.1321 -17.1274 -17.1274 -12.3328 -12.3328 -6.2716 -6.2716 -6.0768 -6.0768 0.5767 0.5767 0.7162 0.7162 1.7299 1.7299 2.5894 2.5894 3.0967 3.0967 3.2770 3.2770 3.3391 3.3391 3.5990 3.5990 4.4953 4.4953 5.4196 5.4196 6.0366 6.0366 6.3739 6.3739 6.4431 6.4431 6.5686 6.5686 6.6825 6.6825 6.8215 6.8215 6.8843 6.8843 7.4453 7.4453 7.7636 7.7636 11.0248 11.0248 k = 0.5000 0.1984 0.6996 ( 7720 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3135 -17.3135 -17.3126 -17.3126 -17.1421 -17.1421 -17.1379 -17.1379 -17.1320 -17.1320 -17.1275 -17.1275 -12.3427 -12.3427 -6.2827 -6.2827 -6.0888 -6.0888 0.6242 0.6242 0.7641 0.7641 1.7480 1.7480 2.5730 2.5730 3.1091 3.1091 3.2915 3.2915 3.3851 3.3851 3.6114 3.6114 4.5373 4.5373 5.4002 5.4002 6.0665 6.0665 6.3620 6.3620 6.4198 6.4198 6.5359 6.5359 6.6990 6.6990 6.8064 6.8064 6.8795 6.8795 7.4104 7.4104 7.7458 7.7458 10.9756 10.9756 k = 0.5000 0.1984 0.6746 ( 7712 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3134 -17.3134 -17.3124 -17.3124 -17.1419 -17.1419 -17.1376 -17.1376 -17.1319 -17.1319 -17.1275 -17.1275 -12.3526 -12.3526 -6.2939 -6.2939 -6.1008 -6.1008 0.6725 0.6725 0.8117 0.8117 1.7680 1.7680 2.5560 2.5560 3.1191 3.1191 3.3107 3.3107 3.4333 3.4333 3.6237 3.6237 4.5762 4.5762 5.3798 5.3798 6.0963 6.0963 6.3475 6.3475 6.3994 6.3994 6.5030 6.5030 6.7175 6.7175 6.7945 6.7945 6.8745 6.8745 7.3740 7.3740 7.7276 7.7276 10.9299 10.9299 k = 0.5000 0.1984 0.6496 ( 7710 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3133 -17.3133 -17.3122 -17.3122 -17.1417 -17.1417 -17.1373 -17.1373 -17.1318 -17.1318 -17.1276 -17.1276 -12.3625 -12.3625 -6.3049 -6.3049 -6.1130 -6.1130 0.7214 0.7214 0.8587 0.8587 1.7898 1.7898 2.5385 2.5385 3.1268 3.1268 3.3350 3.3350 3.4835 3.4835 3.6358 3.6358 4.6114 4.6114 5.3585 5.3585 6.1259 6.1259 6.3294 6.3294 6.3828 6.3828 6.4710 6.4710 6.7369 6.7369 6.7865 6.7865 6.8691 6.8691 7.3363 7.3363 7.7089 7.7089 10.8875 10.8875 k = 0.5000 0.1984 0.6246 ( 7702 PWs) bands (ev): -45.2509 -45.2509 -45.2505 -45.2505 -17.3131 -17.3131 -17.3120 -17.3120 -17.1415 -17.1415 -17.1370 -17.1370 -17.1316 -17.1316 -17.1277 -17.1277 -12.3723 -12.3723 -6.3157 -6.3157 -6.1252 -6.1252 0.7710 0.7710 0.9051 0.9051 1.8135 1.8135 2.5203 2.5203 3.1325 3.1325 3.3642 3.3642 3.5354 3.5354 3.6478 3.6478 4.6422 4.6422 5.3363 5.3363 6.1551 6.1551 6.3082 6.3082 6.3697 6.3697 6.4405 6.4405 6.7544 6.7544 6.7848 6.7848 6.8633 6.8633 7.2977 7.2977 7.6896 7.6896 10.8485 10.8485 k = 0.5000 0.1984 0.5996 ( 7710 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3131 -17.3131 -17.3119 -17.3119 -17.1414 -17.1414 -17.1367 -17.1367 -17.1315 -17.1315 -17.1278 -17.1278 -12.3821 -12.3821 -6.3264 -6.3264 -6.1374 -6.1374 0.8208 0.8208 0.9507 0.9507 1.8388 1.8388 2.5017 2.5017 3.1366 3.1366 3.3983 3.3983 3.5888 3.5888 3.6597 3.6597 4.6680 4.6680 5.3134 5.3134 6.1836 6.1836 6.2848 6.2848 6.3591 6.3591 6.4121 6.4121 6.7639 6.7639 6.7956 6.7956 6.8569 6.8569 7.2584 7.2584 7.6697 7.6697 10.8123 10.8123 k = 0.5000 0.1984 0.5746 ( 7710 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3130 -17.3130 -17.3116 -17.3116 -17.1412 -17.1412 -17.1363 -17.1363 -17.1315 -17.1315 -17.1279 -17.1279 -12.3917 -12.3917 -6.3369 -6.3369 -6.1496 -6.1496 0.8710 0.8710 0.9953 0.9953 1.8657 1.8657 2.4826 2.4826 3.1397 3.1397 3.4367 3.4367 3.6429 3.6429 3.6721 3.6721 4.6881 4.6881 5.2900 5.2900 6.2110 6.2110 6.2607 6.2607 6.3500 6.3500 6.3862 6.3862 6.7679 6.7679 6.8149 6.8149 6.8512 6.8512 7.2189 7.2189 7.6491 7.6491 10.7787 10.7787 k = 0.5000 0.1984 0.5497 ( 7710 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3129 -17.3129 -17.3114 -17.3114 -17.1410 -17.1410 -17.1360 -17.1360 -17.1314 -17.1314 -17.1280 -17.1280 -12.4012 -12.4012 -6.3472 -6.3472 -6.1616 -6.1616 0.9212 0.9212 1.0390 1.0390 1.8940 1.8940 2.4630 2.4630 3.1425 3.1425 3.4793 3.4793 3.6791 3.6791 3.7035 3.7035 4.7020 4.7020 5.2660 5.2660 6.2291 6.2291 6.2441 6.2441 6.3419 6.3419 6.3630 6.3630 6.7727 6.7727 6.8275 6.8275 6.8547 6.8547 7.1798 7.1798 7.6279 7.6279 10.7470 10.7470 k = 0.5000 0.1984 0.5247 ( 7712 PWs) bands (ev): -45.2510 -45.2510 -45.2505 -45.2505 -17.3128 -17.3128 -17.3112 -17.3112 -17.1408 -17.1408 -17.1357 -17.1357 -17.1313 -17.1313 -17.1280 -17.1280 -12.4105 -12.4105 -6.3573 -6.3573 -6.1736 -6.1736 0.9712 0.9712 1.0817 1.0817 1.9234 1.9234 2.4430 2.4430 3.1453 3.1453 3.5255 3.5255 3.6911 3.6911 3.7599 3.7599 4.7092 4.7092 5.2418 5.2418 6.2077 6.2077 6.2653 6.2653 6.3344 6.3344 6.3428 6.3428 6.7799 6.7799 6.8223 6.8223 6.8766 6.8766 7.1417 7.1417 7.6059 7.6059 10.7165 10.7165 k = 0.5000 0.1984 0.4997 ( 7716 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3128 -17.3128 -17.3110 -17.3110 -17.1406 -17.1406 -17.1354 -17.1354 -17.1312 -17.1312 -17.1281 -17.1281 -12.4197 -12.4197 -6.3670 -6.3670 -6.1853 -6.1853 1.0211 1.0211 1.1232 1.1232 1.9539 1.9539 2.4226 2.4226 3.1487 3.1487 3.5750 3.5750 3.7016 3.7016 3.8186 3.8186 4.7096 4.7096 5.2173 5.2173 6.1822 6.1822 6.2884 6.2884 6.3248 6.3248 6.3286 6.3286 6.7871 6.7871 6.8137 6.8137 6.9043 6.9043 7.1056 7.1056 7.5833 7.5833 10.6863 10.6863 k = 0.5000 0.1984 0.4747 ( 7708 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3127 -17.3127 -17.3108 -17.3108 -17.1403 -17.1403 -17.1351 -17.1351 -17.1312 -17.1312 -17.1282 -17.1282 -12.4286 -12.4286 -6.3764 -6.3764 -6.1968 -6.1968 1.0704 1.0704 1.1636 1.1636 1.9851 1.9851 2.4019 2.4019 3.1529 3.1529 3.6276 3.6276 3.7115 3.7115 3.8784 3.8784 4.7031 4.7031 5.1928 5.1928 6.1563 6.1563 6.3051 6.3051 6.3130 6.3130 6.3246 6.3246 6.7819 6.7819 6.8171 6.8171 6.9340 6.9340 7.0725 7.0725 7.5601 7.5601 10.6557 10.6557 k = 0.5000 0.1984 0.4497 ( 7716 PWs) bands (ev): -45.2511 -45.2511 -45.2505 -45.2505 -17.3127 -17.3127 -17.3106 -17.3106 -17.1401 -17.1401 -17.1347 -17.1347 -17.1311 -17.1311 -17.1283 -17.1283 -12.4372 -12.4372 -6.3856 -6.3856 -6.2081 -6.2081 1.1191 1.1191 1.2027 1.2027 2.0167 2.0167 2.3810 2.3810 3.1584 3.1584 3.6824 3.6824 3.7213 3.7213 3.9391 3.9391 4.6897 4.6897 5.1683 5.1683 6.1301 6.1301 6.2967 6.2967 6.3122 6.3122 6.3356 6.3356 6.7629 6.7629 6.8338 6.8338 6.9649 6.9649 7.0436 7.0436 7.5365 7.5365 10.6238 10.6238 k = 0.5000 0.1984 0.4247 ( 7700 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3125 -17.3125 -17.3104 -17.3104 -17.1399 -17.1399 -17.1344 -17.1344 -17.1310 -17.1310 -17.1284 -17.1284 -12.4455 -12.4455 -6.3943 -6.3943 -6.2190 -6.2190 1.1669 1.1669 1.2407 1.2407 2.0486 2.0486 2.3599 2.3599 3.1655 3.1655 3.7263 3.7263 3.7439 3.7439 4.0005 4.0005 4.6696 4.6696 5.1440 5.1440 6.1036 6.1036 6.2867 6.2867 6.3074 6.3074 6.3524 6.3524 6.7375 6.7375 6.8561 6.8561 6.9961 6.9961 7.0204 7.0204 7.5125 7.5125 10.5897 10.5897 k = 0.5000 0.1984 0.3998 ( 7702 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3125 -17.3125 -17.3102 -17.3102 -17.1396 -17.1396 -17.1341 -17.1341 -17.1310 -17.1310 -17.1285 -17.1285 -12.4535 -12.4535 -6.4027 -6.4027 -6.2296 -6.2296 1.2137 1.2137 1.2775 1.2775 2.0803 2.0803 2.3388 2.3388 3.1746 3.1746 3.7365 3.7365 3.8016 3.8016 4.0622 4.0622 4.6435 4.6435 5.1200 5.1200 6.0769 6.0769 6.2785 6.2785 6.3023 6.3023 6.3673 6.3673 6.7074 6.7074 6.8819 6.8819 7.0001 7.0001 7.0307 7.0307 7.4883 7.4883 10.5530 10.5530 k = 0.5000 0.1984 0.3748 ( 7704 PWs) bands (ev): -45.2511 -45.2511 -45.2504 -45.2504 -17.3124 -17.3124 -17.3100 -17.3100 -17.1394 -17.1394 -17.1338 -17.1338 -17.1310 -17.1310 -17.1286 -17.1286 -12.4612 -12.4612 -6.4107 -6.4107 -6.2398 -6.2398 1.2591 1.2591 1.3131 1.3131 2.1114 2.1114 2.3177 2.3177 3.1859 3.1859 3.7444 3.7444 3.8627 3.8627 4.1241 4.1241 4.6119 4.6119 5.0965 5.0965 6.0499 6.0499 6.2717 6.2717 6.2972 6.2972 6.3790 6.3790 6.6740 6.6740 6.9095 6.9095 6.9888 6.9888 7.0634 7.0634 7.4641 7.4641 10.5134 10.5134 k = 0.5000 0.1984 0.3498 ( 7700 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3123 -17.3123 -17.3098 -17.3098 -17.1392 -17.1392 -17.1335 -17.1335 -17.1309 -17.1309 -17.1287 -17.1287 -12.4685 -12.4685 -6.4182 -6.4182 -6.2495 -6.2495 1.3031 1.3031 1.3474 1.3474 2.1415 2.1415 2.2969 2.2969 3.1999 3.1999 3.7516 3.7516 3.9250 3.9250 4.1857 4.1857 4.5755 4.5755 5.0734 5.0734 6.0226 6.0226 6.2661 6.2661 6.2924 6.2924 6.3868 6.3868 6.6389 6.6389 6.9343 6.9343 6.9871 6.9871 7.0968 7.0968 7.4401 7.4401 10.4711 10.4711 k = 0.5000 0.1984 0.3248 ( 7712 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3123 -17.3123 -17.3096 -17.3096 -17.1390 -17.1390 -17.1332 -17.1332 -17.1309 -17.1309 -17.1288 -17.1288 -12.4754 -12.4754 -6.4253 -6.4253 -6.2588 -6.2588 1.3453 1.3453 1.3805 1.3805 2.1698 2.1698 2.2768 2.2768 3.2167 3.2167 3.7582 3.7582 3.9878 3.9878 4.2464 4.2464 4.5355 4.5355 5.0510 5.0510 5.9950 5.9950 6.2614 6.2614 6.2877 6.2877 6.3895 6.3895 6.6042 6.6042 6.9467 6.9467 7.0036 7.0036 7.1303 7.1303 7.4165 7.4165 10.4264 10.4264 k = 0.5000 0.1984 0.2998 ( 7708 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3122 -17.3122 -17.3095 -17.3095 -17.1388 -17.1388 -17.1329 -17.1329 -17.1309 -17.1309 -17.1289 -17.1289 -12.4819 -12.4819 -6.4320 -6.4320 -6.2675 -6.2675 1.3856 1.3856 1.4124 1.4124 2.1945 2.1945 2.2591 2.2591 3.2367 3.2367 3.7643 3.7643 4.0504 4.0504 4.3048 4.3048 4.4941 4.4941 5.0292 5.0292 5.9671 5.9671 6.2574 6.2574 6.2829 6.2829 6.3859 6.3859 6.5725 6.5725 6.9489 6.9489 7.0346 7.0346 7.1637 7.1637 7.3936 7.3936 10.3800 10.3800 k = 0.5000 0.1984 0.2748 ( 7700 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3122 -17.3122 -17.3093 -17.3093 -17.1386 -17.1386 -17.1327 -17.1327 -17.1309 -17.1309 -17.1290 -17.1290 -12.4879 -12.4879 -6.4382 -6.4382 -6.2757 -6.2757 1.4236 1.4236 1.4430 1.4430 2.2080 2.2080 2.2512 2.2512 3.2600 3.2600 3.7697 3.7697 4.1113 4.1113 4.3550 4.3550 4.4580 4.4580 5.0082 5.0082 5.9391 5.9391 6.2538 6.2538 6.2776 6.2776 6.3746 6.3746 6.5463 6.5463 6.9493 6.9493 7.0708 7.0708 7.1967 7.1967 7.3715 7.3715 10.3329 10.3329 k = 0.5000 0.1984 0.2498 ( 7700 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3121 -17.3121 -17.3092 -17.3092 -17.1384 -17.1384 -17.1324 -17.1324 -17.1309 -17.1309 -17.1291 -17.1291 -12.4935 -12.4935 -6.4439 -6.4439 -6.2832 -6.2832 1.4591 1.4591 1.4723 1.4723 2.2002 2.2002 2.2629 2.2629 3.2869 3.2869 3.7746 3.7746 4.1673 4.1673 4.3688 4.3688 4.4584 4.4584 4.9880 4.9880 5.9111 5.9111 6.2505 6.2505 6.2709 6.2709 6.3562 6.3562 6.5270 6.5270 6.9500 6.9500 7.1082 7.1082 7.2290 7.2290 7.3508 7.3508 10.2831 10.2831 k = 0.5000 0.1984 0.2249 ( 7692 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3121 -17.3121 -17.3090 -17.3090 -17.1382 -17.1382 -17.1321 -17.1321 -17.1308 -17.1308 -17.1292 -17.1292 -12.4986 -12.4986 -6.4491 -6.4491 -6.2902 -6.2902 1.4919 1.4919 1.5003 1.5003 2.1836 2.1836 2.2819 2.2819 3.3173 3.3173 3.7789 3.7789 4.2078 4.2078 4.3500 4.3500 4.5016 4.5016 4.9686 4.9686 5.8832 5.8832 6.2469 6.2469 6.2613 6.2613 6.3343 6.3343 6.5139 6.5139 6.9515 6.9515 7.1450 7.1450 7.2602 7.2602 7.3318 7.3318 10.2121 10.2121 k = 0.5000 0.1984 0.1999 ( 7702 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3120 -17.3120 -17.3089 -17.3089 -17.1380 -17.1380 -17.1319 -17.1319 -17.1309 -17.1309 -17.1294 -17.1294 -12.5032 -12.5032 -6.4538 -6.4538 -6.2965 -6.2965 1.5212 1.5212 1.5272 1.5272 2.1655 2.1655 2.3008 2.3008 3.3514 3.3514 3.7825 3.7825 4.2077 4.2077 4.3583 4.3583 4.5521 4.5521 4.9502 4.9502 5.8558 5.8558 6.2382 6.2382 6.2503 6.2503 6.3151 6.3151 6.5051 6.5051 6.9537 6.9537 7.1798 7.1798 7.2888 7.2888 7.3164 7.3164 10.1450 10.1450 k = 0.5000 0.1984 0.1749 ( 7708 PWs) bands (ev): -45.2512 -45.2512 -45.2504 -45.2504 -17.3120 -17.3120 -17.3088 -17.3088 -17.1379 -17.1379 -17.1317 -17.1317 -17.1309 -17.1309 -17.1295 -17.1295 -12.5073 -12.5073 -6.4580 -6.4580 -6.3021 -6.3021 1.5470 1.5470 1.5529 1.5529 2.1476 2.1476 2.3179 2.3179 3.3891 3.3891 3.7856 3.7856 4.1700 4.1700 4.3988 4.3988 4.6010 4.6010 4.9327 4.9327 5.8292 5.8292 6.2153 6.2153 6.2457 6.2457 6.3025 6.3025 6.4990 6.4990 6.9562 6.9562 7.2105 7.2105 7.2968 7.2968 7.3237 7.3237 10.0833 10.0833 k = 0.5000 0.1984 0.1499 ( 7710 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3087 -17.3087 -17.1378 -17.1378 -17.1315 -17.1315 -17.1309 -17.1309 -17.1296 -17.1296 -12.5109 -12.5109 -6.4616 -6.4616 -6.3070 -6.3070 1.5697 1.5697 1.5764 1.5764 2.1306 2.1306 2.3328 2.3328 3.4300 3.4300 3.7878 3.7878 4.1189 4.1189 4.4484 4.4484 4.6458 4.6458 4.9166 4.9166 5.8040 5.8040 6.1859 6.1859 6.2434 6.2434 6.2952 6.2952 6.4943 6.4943 6.9589 6.9589 7.2332 7.2332 7.2911 7.2911 7.3491 7.3491 10.0279 10.0279 k = 0.5000 0.1984 0.1249 ( 7718 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3120 -17.3120 -17.3086 -17.3086 -17.1377 -17.1377 -17.1313 -17.1313 -17.1309 -17.1309 -17.1297 -17.1297 -12.5139 -12.5139 -6.4647 -6.4647 -6.3112 -6.3112 1.5895 1.5895 1.5970 1.5970 2.1151 2.1151 2.3454 2.3454 3.4741 3.4741 3.7891 3.7891 4.0637 4.0637 4.4985 4.4985 4.6843 4.6843 4.9022 4.9022 5.7807 5.7807 6.1557 6.1557 6.2416 6.2416 6.2909 6.2909 6.4905 6.4905 6.9615 6.9615 7.2418 7.2418 7.2963 7.2963 7.3736 7.3736 9.9793 9.9793 k = 0.5000 0.1984 0.0999 ( 7710 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3086 -17.3086 -17.1375 -17.1375 -17.1311 -17.1311 -17.1309 -17.1309 -17.1298 -17.1298 -12.5165 -12.5165 -6.4672 -6.4672 -6.3147 -6.3147 1.6065 1.6065 1.6143 1.6143 2.1014 2.1014 2.3557 2.3557 3.5208 3.5208 3.7889 3.7889 4.0079 4.0079 4.5462 4.5462 4.7140 4.7140 4.8907 4.8907 5.7601 5.7601 6.1278 6.1278 6.2402 6.2402 6.2881 6.2881 6.4875 6.4875 6.9638 6.9638 7.2392 7.2392 7.3103 7.3103 7.3953 7.3953 9.9384 9.9384 k = 0.5000 0.1984 0.0750 ( 7710 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3085 -17.3085 -17.1375 -17.1375 -17.1309 -17.1309 -17.1309 -17.1309 -17.1300 -17.1300 -12.5184 -12.5184 -6.4692 -6.4692 -6.3174 -6.3174 1.6201 1.6201 1.6281 1.6281 2.0900 2.0900 2.3636 2.3636 3.5696 3.5696 3.7861 3.7861 3.9542 3.9542 4.5897 4.5897 4.7321 4.7321 4.8835 4.8835 5.7429 5.7429 6.1041 6.1041 6.2392 6.2392 6.2864 6.2864 6.4852 6.4852 6.9658 6.9658 7.2338 7.2338 7.3246 7.3246 7.4132 7.4132 9.9058 9.9058 k = 0.5000 0.1984 0.0500 ( 7702 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3085 -17.3085 -17.1374 -17.1374 -17.1309 -17.1309 -17.1307 -17.1307 -17.1301 -17.1301 -12.5198 -12.5198 -6.4706 -6.4706 -6.3193 -6.3193 1.6301 1.6301 1.6382 1.6382 2.0815 2.0815 2.3693 2.3693 3.6194 3.6194 3.7776 3.7776 3.9071 3.9071 4.6275 4.6275 4.7374 4.7374 4.8811 4.8811 5.7299 5.7299 6.0860 6.0860 6.2384 6.2384 6.2853 6.2853 6.4834 6.4834 6.9673 6.9673 7.2290 7.2290 7.3357 7.3357 7.4267 7.4267 9.8821 9.8821 k = 0.5000 0.1984 0.0250 ( 7712 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3119 -17.3119 -17.3085 -17.3085 -17.1374 -17.1374 -17.1309 -17.1309 -17.1306 -17.1306 -17.1302 -17.1302 -12.5207 -12.5207 -6.4715 -6.4715 -6.3205 -6.3205 1.6362 1.6362 1.6443 1.6443 2.0761 2.0761 2.3726 2.3726 3.6681 3.6681 3.7580 3.7580 3.8746 3.8746 4.6570 4.6570 4.7325 4.7325 4.8818 4.8818 5.7218 5.7218 6.0748 6.0748 6.2379 6.2379 6.2847 6.2847 6.4824 6.4824 6.9682 6.9682 7.2259 7.2259 7.3425 7.3425 7.4350 7.4350 9.8676 9.8676 k = 0.5000 0.1984 0.0000 ( 7712 PWs) bands (ev): -45.2513 -45.2513 -45.2504 -45.2504 -17.3118 -17.3118 -17.3085 -17.3085 -17.1373 -17.1373 -17.1309 -17.1309 -17.1306 -17.1306 -17.1303 -17.1303 -12.5210 -12.5210 -6.4718 -6.4718 -6.3209 -6.3209 1.6382 1.6382 1.6464 1.6464 2.0743 2.0743 2.3737 2.3737 3.7012 3.7012 3.7348 3.7348 3.8636 3.8636 4.6699 4.6699 4.7274 4.7274 4.8825 4.8825 5.7190 5.7190 6.0709 6.0709 6.2378 6.2378 6.2845 6.2845 6.4820 6.4820 6.9685 6.9685 7.2249 7.2249 7.3448 7.3448 7.4379 7.4379 9.8628 9.8628 k = 0.0000 0.0000 1.3559 ( 7726 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1427 -17.1427 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0910 -0.0910 -0.0758 -0.0758 1.7491 1.7491 2.6501 2.6501 2.8879 2.8879 2.9120 2.9120 3.1121 3.1121 3.4035 3.4035 3.7324 3.7324 5.5484 5.5484 5.6422 5.6422 6.4967 6.4967 6.5163 6.5163 6.8840 6.8840 6.9706 6.9706 7.0822 7.0822 7.5697 7.5697 7.8200 7.8200 8.1688 8.1688 10.0172 10.0172 k = 0.0227 0.0090 1.3559 ( 7714 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1427 -17.1427 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0909 -0.0909 -0.0758 -0.0758 1.7491 1.7491 2.6505 2.6505 2.8811 2.8811 2.9180 2.9180 3.1137 3.1137 3.4024 3.4024 3.7324 3.7324 5.5486 5.5486 5.6421 5.6421 6.4967 6.4967 6.5163 6.5163 6.8845 6.8845 6.9703 6.9703 7.0822 7.0822 7.5695 7.5695 7.8213 7.8213 8.1667 8.1667 10.0211 10.0211 k = 0.0455 0.0180 1.3559 ( 7706 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1430 -17.1430 -17.1426 -17.1426 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0908 -0.0908 -0.0759 -0.0759 1.7490 1.7490 2.6517 2.6517 2.8683 2.8683 2.9283 2.9283 3.1185 3.1185 3.3988 3.3988 3.7322 3.7322 5.5492 5.5492 5.6418 5.6418 6.4968 6.4968 6.5163 6.5163 6.8859 6.8859 6.9695 6.9695 7.0822 7.0822 7.5688 7.5688 7.8252 7.8252 8.1605 8.1605 10.0330 10.0330 k = 0.0682 0.0270 1.3559 ( 7702 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3133 -17.3133 -17.1430 -17.1430 -17.1426 -17.1426 -17.1345 -17.1345 -17.1264 -17.1264 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0907 -0.0907 -0.0760 -0.0760 1.7490 1.7490 2.6538 2.6538 2.8541 2.8541 2.9384 2.9384 3.1262 3.1262 3.3930 3.3930 3.7319 3.7319 5.5500 5.5500 5.6414 5.6414 6.4968 6.4968 6.5163 6.5163 6.8883 6.8883 6.9682 6.9682 7.0821 7.0821 7.5677 7.5677 7.8318 7.8318 8.1504 8.1504 10.0524 10.0524 k = 0.0909 0.0361 1.3559 ( 7702 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3133 -17.3133 -17.1430 -17.1430 -17.1426 -17.1426 -17.1345 -17.1345 -17.1264 -17.1264 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0905 -0.0905 -0.0762 -0.0762 1.7488 1.7488 2.6565 2.6565 2.8398 2.8398 2.9472 2.9472 3.1367 3.1367 3.3852 3.3852 3.7314 3.7314 5.5511 5.5511 5.6409 5.6409 6.4968 6.4968 6.5163 6.5163 6.8914 6.8914 6.9663 6.9663 7.0821 7.0821 7.5664 7.5664 7.8408 7.8408 8.1367 8.1367 10.0789 10.0789 k = 0.1136 0.0451 1.3559 ( 7694 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3133 -17.3133 -17.1430 -17.1430 -17.1425 -17.1425 -17.1345 -17.1345 -17.1264 -17.1264 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0902 -0.0902 -0.0765 -0.0765 1.7487 1.7487 2.6599 2.6599 2.8259 2.8259 2.9547 2.9547 3.1495 3.1495 3.3754 3.3754 3.7310 3.7310 5.5524 5.5524 5.6402 5.6402 6.4968 6.4968 6.5163 6.5163 6.8951 6.8951 6.9640 6.9640 7.0820 7.0820 7.5648 7.5648 7.8522 7.8522 8.1201 8.1201 10.1118 10.1118 k = 0.1364 0.0541 1.3559 ( 7706 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3165 -17.3165 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0900 -0.0900 -0.0767 -0.0767 1.7486 1.7486 2.6638 2.6638 2.8127 2.8127 2.9607 2.9607 3.1640 3.1640 3.3640 3.3640 3.7305 3.7305 5.5538 5.5538 5.6395 5.6395 6.4968 6.4968 6.5163 6.5163 6.8993 6.8993 6.9613 6.9613 7.0820 7.0820 7.5632 7.5632 7.8658 7.8658 8.1011 8.1011 10.1498 10.1498 k = 0.1591 0.0631 1.3559 ( 7710 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1345 -17.1345 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0897 -0.0897 -0.0770 -0.0770 1.7484 1.7484 2.6680 2.6680 2.8008 2.8008 2.9654 2.9654 3.1795 3.1795 3.3514 3.3514 3.7300 3.7300 5.5551 5.5551 5.6388 5.6388 6.4969 6.4969 6.5163 6.5163 6.9036 6.9036 6.9583 6.9583 7.0819 7.0819 7.5616 7.5616 7.8813 7.8813 8.0805 8.0805 10.1912 10.1912 k = 0.1818 0.0721 1.3559 ( 7714 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1431 -17.1431 -17.1425 -17.1425 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0894 -0.0894 -0.0773 -0.0773 1.7483 1.7483 2.6721 2.6721 2.7905 2.7905 2.9689 2.9689 3.1951 3.1951 3.3384 3.3384 3.7296 3.7296 5.5563 5.5563 5.6382 5.6382 6.4969 6.4969 6.5163 6.5163 6.9078 6.9078 6.9554 6.9554 7.0819 7.0819 7.5603 7.5603 7.8981 7.8981 8.0592 8.0592 10.2332 10.2332 k = 0.2045 0.0811 1.3559 ( 7718 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1425 -17.1425 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0892 -0.0892 -0.0775 -0.0775 1.7482 1.7482 2.6757 2.6757 2.7825 2.7825 2.9714 2.9714 3.2094 3.2094 3.3260 3.3260 3.7293 3.7293 5.5573 5.5573 5.6377 5.6377 6.4969 6.4969 6.5163 6.5163 6.9114 6.9114 6.9527 6.9527 7.0819 7.0819 7.5592 7.5592 7.9151 7.9151 8.0387 8.0387 10.2714 10.2714 k = 0.2273 0.0902 1.3559 ( 7720 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0890 -0.0890 -0.0777 -0.0777 1.7482 1.7482 2.6782 2.6782 2.7773 2.7773 2.9728 2.9728 3.2203 3.2203 3.3163 3.3163 3.7291 3.7291 5.5579 5.5579 5.6373 5.6373 6.4969 6.4969 6.5163 6.5163 6.9138 6.9138 6.9510 6.9510 7.0819 7.0819 7.5586 7.5586 7.9298 7.9298 8.0218 8.0218 10.2993 10.2993 k = 0.2500 0.0992 1.3559 ( 7720 PWs) bands (ev): -45.2505 -45.2505 -45.2505 -45.2505 -17.3166 -17.3166 -17.3134 -17.3134 -17.1432 -17.1432 -17.1424 -17.1424 -17.1346 -17.1346 -17.1265 -17.1265 -12.1793 -12.1793 -6.0825 -6.0825 -5.9063 -5.9063 -0.0889 -0.0889 -0.0778 -0.0778 1.7481 1.7481 2.6791 2.6791 2.7755 2.7755 2.9732 2.9732 3.2246 3.2246 3.3125 3.3125 3.7290 3.7290 5.5582 5.5582 5.6371 5.6371 6.4970 6.4970 6.5163 6.5163 6.9143 6.9143 6.9506 6.9506 7.0819 7.0819 7.5583 7.5583 7.9365 7.9365 8.0144 8.0144 10.3097 10.3097 Writing output data file Na2Fe2Se2O.save init_run : 0.67s CPU 0.87s WALL ( 1 calls) electrons : 472.04s CPU 475.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 472.03s CPU 475.68s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.04s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.12s WALL ( 331 calls) cegterg : 418.16s CPU 420.71s WALL ( 375 calls) Called by sum_band: Called by *egterg: h_psi : 376.09s CPU 378.25s WALL ( 6206 calls) s_psi : 6.07s CPU 6.08s WALL ( 6206 calls) g_psi : 0.48s CPU 0.44s WALL ( 5500 calls) cdiaghg : 55.04s CPU 55.69s WALL ( 5831 calls) cegterg:over : 11.02s CPU 11.25s WALL ( 5500 calls) cegterg:upda : 9.86s CPU 9.88s WALL ( 5500 calls) cegterg:last : 5.60s CPU 5.52s WALL ( 1037 calls) cdiaghg:chol : 3.14s CPU 3.24s WALL ( 5831 calls) cdiaghg:inve : 2.30s CPU 2.25s WALL ( 5831 calls) cdiaghg:para : 3.42s CPU 3.64s WALL ( 11662 calls) Called by h_psi: h_psi:vloc : 361.40s CPU 363.65s WALL ( 6206 calls) h_psi:vnl : 14.26s CPU 14.14s WALL ( 6206 calls) add_vuspsi : 6.71s CPU 6.71s WALL ( 6206 calls) General routines calbec : 7.52s CPU 7.41s WALL ( 6206 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 339.52s CPU 341.37s WALL ( 837748 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.28s CPU 0.43s WALL ( 662 calls) Parallel routines fft_scatter : 77.54s CPU 77.36s WALL ( 837771 calls) PWSCF : 8m19.76s CPU 8m52.01s WALL This run was terminated on: 18:27:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=