Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 0:20 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: ./Si2NiSe4.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 29 8 1299 828 131 Max 40 30 9 1302 845 136 Sum 1415 1057 309 46805 30185 4827 bravais-lattice index = 14 lattice parameter (alat) = 12.1415 a.u. unit-cell volume = 764.9165 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.141480 celldm(2)= 1.000000 celldm(3)= 0.939767 celldm(4)= 0.442495 celldm(5)= 0.442495 celldm(6)= 0.859075 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.859075 0.511850 0.000000 ) a(3) = ( 0.415842 0.114492 0.834943 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.678374 -0.267901 ) b(2) = ( 0.000000 1.953699 -0.267901 ) b(3) = ( 0.000000 0.000000 1.197687 ) PseudoPot. # 1 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 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 379 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 2) = ( 0.0172414 0.0047470 -0.0092380), wk = 0.0026385 k( 3) = ( 0.0344828 0.0094940 -0.0184759), wk = 0.0026385 k( 4) = ( 0.0517241 0.0142409 -0.0277139), wk = 0.0026385 k( 5) = ( 0.0689655 0.0189879 -0.0369519), wk = 0.0026385 k( 6) = ( 0.0862069 0.0237349 -0.0461899), wk = 0.0026385 k( 7) = ( 0.1034483 0.0284819 -0.0554278), wk = 0.0026385 k( 8) = ( 0.1206897 0.0332289 -0.0646658), wk = 0.0026385 k( 9) = ( 0.1379310 0.0379758 -0.0739038), wk = 0.0026385 k( 10) = ( 0.1551724 0.0427228 -0.0831417), wk = 0.0026385 k( 11) = ( 0.1724138 0.0474698 -0.0923797), wk = 0.0026385 k( 12) = ( 0.1896552 0.0522168 -0.1016177), wk = 0.0026385 k( 13) = ( 0.2068966 0.0569638 -0.1108557), wk = 0.0026385 k( 14) = ( 0.2241379 0.0617107 -0.1200936), wk = 0.0026385 k( 15) = ( 0.2413793 0.0664577 -0.1293316), wk = 0.0026385 k( 16) = ( 0.2586207 0.0712047 -0.1385696), wk = 0.0026385 k( 17) = ( 0.2758621 0.0759517 -0.1478076), wk = 0.0026385 k( 18) = ( 0.2931034 0.0806987 -0.1570455), wk = 0.0026385 k( 19) = ( 0.3103448 0.0854457 -0.1662835), wk = 0.0026385 k( 20) = ( 0.3275862 0.0901926 -0.1755215), wk = 0.0026385 k( 21) = ( 0.3448276 0.0949396 -0.1847594), wk = 0.0026385 k( 22) = ( 0.3620690 0.0996866 -0.1939974), wk = 0.0026385 k( 23) = ( 0.3793103 0.1044336 -0.2032354), wk = 0.0026385 k( 24) = ( 0.3965517 0.1091806 -0.2124734), wk = 0.0026385 k( 25) = ( 0.4137931 0.1139275 -0.2217113), wk = 0.0026385 k( 26) = ( 0.4310345 0.1186745 -0.2309493), wk = 0.0026385 k( 27) = ( 0.4482759 0.1234215 -0.2401873), wk = 0.0026385 k( 28) = ( 0.4655172 0.1281685 -0.2494253), wk = 0.0026385 k( 29) = ( 0.4827586 0.1329155 -0.2586632), wk = 0.0026385 k( 30) = ( 0.5000000 0.1376624 -0.2679012), wk = 0.0026385 k( 31) = ( 0.5000000 0.1376624 -0.2679012), wk = 0.0026385 k( 32) = ( 0.5086750 0.1400509 -0.2504832), wk = 0.0026385 k( 33) = ( 0.5173500 0.1424393 -0.2330652), wk = 0.0026385 k( 34) = ( 0.5260250 0.1448278 -0.2156472), wk = 0.0026385 k( 35) = ( 0.5347000 0.1472162 -0.1982292), wk = 0.0026385 k( 36) = ( 0.5433751 0.1496047 -0.1808112), wk = 0.0026385 k( 37) = ( 0.5520501 0.1519931 -0.1633931), wk = 0.0026385 k( 38) = ( 0.5607251 0.1543816 -0.1459751), wk = 0.0026385 k( 39) = ( 0.5694001 0.1567700 -0.1285571), wk = 0.0026385 k( 40) = ( 0.5780751 0.1591585 -0.1111391), wk = 0.0026385 k( 41) = ( 0.5867501 0.1615469 -0.0937211), wk = 0.0026385 k( 42) = ( 0.5954251 0.1639354 -0.0763031), wk = 0.0026385 k( 43) = ( 0.6041001 0.1663238 -0.0588851), wk = 0.0026385 k( 44) = ( 0.6127752 0.1687122 -0.0414671), wk = 0.0026385 k( 45) = ( 0.6214502 0.1711007 -0.0240491), wk = 0.0026385 k( 46) = ( 0.6301252 0.1734891 -0.0066311), wk = 0.0026385 k( 47) = ( 0.6388002 0.1758776 0.0107869), wk = 0.0026385 k( 48) = ( 0.6474752 0.1782660 0.0282049), wk = 0.0026385 k( 49) = ( 0.6561502 0.1806545 0.0456230), wk = 0.0026385 k( 50) = ( 0.6648252 0.1830429 0.0630410), wk = 0.0026385 k( 51) = ( 0.6648252 0.1830429 0.0630410), wk = 0.0026385 k( 52) = ( 0.6545237 0.1802066 0.0797848), wk = 0.0026385 k( 53) = ( 0.6442221 0.1773704 0.0965286), wk = 0.0026385 k( 54) = ( 0.6339205 0.1745341 0.1132724), wk = 0.0026385 k( 55) = ( 0.6236189 0.1716978 0.1300163), wk = 0.0026385 k( 56) = ( 0.6133173 0.1688615 0.1467601), wk = 0.0026385 k( 57) = ( 0.6030158 0.1660252 0.1635039), wk = 0.0026385 k( 58) = ( 0.5927142 0.1631890 0.1802477), wk = 0.0026385 k( 59) = ( 0.5824126 0.1603527 0.1969916), wk = 0.0026385 k( 60) = ( 0.5721110 0.1575164 0.2137354), wk = 0.0026385 k( 61) = ( 0.5618095 0.1546801 0.2304792), wk = 0.0026385 k( 62) = ( 0.5515079 0.1518438 0.2472230), wk = 0.0026385 k( 63) = ( 0.5412063 0.1490076 0.2639669), wk = 0.0026385 k( 64) = ( 0.5309047 0.1461713 0.2807107), wk = 0.0026385 k( 65) = ( 0.5206032 0.1433350 0.2974545), wk = 0.0026385 k( 66) = ( 0.5103016 0.1404987 0.3141983), wk = 0.0026385 k( 67) = ( 0.5000000 0.1376624 0.3309422), wk = 0.0026385 k( 68) = ( 0.5000000 0.1376624 0.3309422), wk = 0.0026385 k( 69) = ( 0.5054044 0.1180334 0.3309422), wk = 0.0026385 k( 70) = ( 0.5108087 0.0984044 0.3309422), wk = 0.0026385 k( 71) = ( 0.5162131 0.0787754 0.3309422), wk = 0.0026385 k( 72) = ( 0.5216174 0.0591463 0.3309422), wk = 0.0026385 k( 73) = ( 0.5270218 0.0395173 0.3309422), wk = 0.0026385 k( 74) = ( 0.5324262 0.0198883 0.3309422), wk = 0.0026385 k( 75) = ( 0.5378305 0.0002592 0.3309422), wk = 0.0026385 k( 76) = ( 0.5432349 -0.0193698 0.3309422), wk = 0.0026385 k( 77) = ( 0.5486393 -0.0389988 0.3309422), wk = 0.0026385 k( 78) = ( 0.5540436 -0.0586279 0.3309422), wk = 0.0026385 k( 79) = ( 0.5594480 -0.0782569 0.3309422), wk = 0.0026385 k( 80) = ( 0.5648523 -0.0978859 0.3309422), wk = 0.0026385 k( 81) = ( 0.5702567 -0.1175150 0.3309422), wk = 0.0026385 k( 82) = ( 0.5756611 -0.1371440 0.3309422), wk = 0.0026385 k( 83) = ( 0.5810654 -0.1567730 0.3309422), wk = 0.0026385 k( 84) = ( 0.5864698 -0.1764020 0.3309422), wk = 0.0026385 k( 85) = ( 0.5918741 -0.1960311 0.3309422), wk = 0.0026385 k( 86) = ( 0.5972785 -0.2156601 0.3309422), wk = 0.0026385 k( 87) = ( 0.6026828 -0.2352891 0.3309422), wk = 0.0026385 k( 88) = ( 0.6080872 -0.2549182 0.3309422), wk = 0.0026385 k( 89) = ( 0.6134916 -0.2745472 0.3309422), wk = 0.0026385 k( 90) = ( 0.6188959 -0.2941763 0.3309422), wk = 0.0026385 k( 91) = ( 0.6243003 -0.3138053 0.3309422), wk = 0.0026385 k( 92) = ( 0.6297047 -0.3334343 0.3309422), wk = 0.0026385 k( 93) = ( 0.6351090 -0.3530633 0.3309422), wk = 0.0026385 k( 94) = ( 0.6405134 -0.3726924 0.3309422), wk = 0.0026385 k( 95) = ( 0.6459177 -0.3923214 0.3309422), wk = 0.0026385 k( 96) = ( 0.6513221 -0.4119504 0.3309422), wk = 0.0026385 k( 97) = ( 0.6567265 -0.4315795 0.3309422), wk = 0.0026385 k( 98) = ( 0.6621308 -0.4512085 0.3309422), wk = 0.0026385 k( 99) = ( 0.6675352 -0.4708375 0.3309422), wk = 0.0026385 k( 100) = ( 0.6729395 -0.4904665 0.3309422), wk = 0.0026385 k( 101) = ( 0.6783439 -0.5100956 0.3309422), wk = 0.0026385 k( 102) = ( 0.6837483 -0.5297246 0.3309422), wk = 0.0026385 k( 103) = ( 0.6891526 -0.5493537 0.3309422), wk = 0.0026385 k( 104) = ( 0.6945570 -0.5689827 0.3309422), wk = 0.0026385 k( 105) = ( 0.6999614 -0.5886117 0.3309422), wk = 0.0026385 k( 106) = ( 0.7053657 -0.6082407 0.3309422), wk = 0.0026385 k( 107) = ( 0.7107701 -0.6278698 0.3309422), wk = 0.0026385 k( 108) = ( 0.7161744 -0.6474988 0.3309422), wk = 0.0026385 k( 109) = ( 0.7215788 -0.6671278 0.3309422), wk = 0.0026385 k( 110) = ( 0.7269832 -0.6867569 0.3309422), wk = 0.0026385 k( 111) = ( 0.7323875 -0.7063859 0.3309422), wk = 0.0026385 k( 112) = ( 0.7377919 -0.7260149 0.3309422), wk = 0.0026385 k( 113) = ( 0.7431962 -0.7456439 0.3309422), wk = 0.0026385 k( 114) = ( 0.7486006 -0.7652730 0.3309422), wk = 0.0026385 k( 115) = ( 0.2513994 -0.9131009 0.5988434), wk = 0.0026385 k( 116) = ( 0.2460505 -0.8936732 0.5988434), wk = 0.0026385 k( 117) = ( 0.2407016 -0.8742456 0.5988434), wk = 0.0026385 k( 118) = ( 0.2353526 -0.8548179 0.5988434), wk = 0.0026385 k( 119) = ( 0.2300037 -0.8353902 0.5988434), wk = 0.0026385 k( 120) = ( 0.2246548 -0.8159625 0.5988434), wk = 0.0026385 k( 121) = ( 0.2193059 -0.7965348 0.5988434), wk = 0.0026385 k( 122) = ( 0.2139569 -0.7771072 0.5988434), wk = 0.0026385 k( 123) = ( 0.2086080 -0.7576795 0.5988434), wk = 0.0026385 k( 124) = ( 0.2032591 -0.7382518 0.5988434), wk = 0.0026385 k( 125) = ( 0.1979102 -0.7188241 0.5988434), wk = 0.0026385 k( 126) = ( 0.1925612 -0.6993965 0.5988434), wk = 0.0026385 k( 127) = ( 0.1872123 -0.6799688 0.5988434), wk = 0.0026385 k( 128) = ( 0.1818634 -0.6605411 0.5988434), wk = 0.0026385 k( 129) = ( 0.1765145 -0.6411134 0.5988434), wk = 0.0026385 k( 130) = ( 0.1711655 -0.6216857 0.5988434), wk = 0.0026385 k( 131) = ( 0.1658166 -0.6022581 0.5988434), wk = 0.0026385 k( 132) = ( 0.1604677 -0.5828304 0.5988434), wk = 0.0026385 k( 133) = ( 0.1551188 -0.5634027 0.5988434), wk = 0.0026385 k( 134) = ( 0.1497699 -0.5439750 0.5988434), wk = 0.0026385 k( 135) = ( 0.1444209 -0.5245474 0.5988434), wk = 0.0026385 k( 136) = ( 0.1390720 -0.5051197 0.5988434), wk = 0.0026385 k( 137) = ( 0.1337231 -0.4856920 0.5988434), wk = 0.0026385 k( 138) = ( 0.1283742 -0.4662643 0.5988434), wk = 0.0026385 k( 139) = ( 0.1230252 -0.4468366 0.5988434), wk = 0.0026385 k( 140) = ( 0.1176763 -0.4274090 0.5988434), wk = 0.0026385 k( 141) = ( 0.1123274 -0.4079812 0.5988434), wk = 0.0026385 k( 142) = ( 0.1069785 -0.3885536 0.5988434), wk = 0.0026385 k( 143) = ( 0.1016295 -0.3691259 0.5988434), wk = 0.0026385 k( 144) = ( 0.0962806 -0.3496982 0.5988434), wk = 0.0026385 k( 145) = ( 0.0909317 -0.3302705 0.5988434), wk = 0.0026385 k( 146) = ( 0.0855828 -0.3108429 0.5988434), wk = 0.0026385 k( 147) = ( 0.0802338 -0.2914152 0.5988434), wk = 0.0026385 k( 148) = ( 0.0748849 -0.2719875 0.5988434), wk = 0.0026385 k( 149) = ( 0.0695360 -0.2525598 0.5988434), wk = 0.0026385 k( 150) = ( 0.0641871 -0.2331321 0.5988434), wk = 0.0026385 k( 151) = ( 0.0588382 -0.2137045 0.5988434), wk = 0.0026385 k( 152) = ( 0.0534892 -0.1942768 0.5988434), wk = 0.0026385 k( 153) = ( 0.0481403 -0.1748491 0.5988434), wk = 0.0026385 k( 154) = ( 0.0427914 -0.1554214 0.5988434), wk = 0.0026385 k( 155) = ( 0.0374425 -0.1359937 0.5988434), wk = 0.0026385 k( 156) = ( 0.0320935 -0.1165661 0.5988434), wk = 0.0026385 k( 157) = ( 0.0267446 -0.0971384 0.5988434), wk = 0.0026385 k( 158) = ( 0.0213957 -0.0777107 0.5988434), wk = 0.0026385 k( 159) = ( 0.0160468 -0.0582830 0.5988434), wk = 0.0026385 k( 160) = ( 0.0106979 -0.0388554 0.5988434), wk = 0.0026385 k( 161) = ( 0.0053489 -0.0194277 0.5988434), wk = 0.0026385 k( 162) = ( 0.0000000 0.0000000 0.5988434), wk = 0.0026385 k( 163) = ( 0.0000000 0.0000000 0.5988434), wk = 0.0026385 k( 164) = ( 0.0197162 0.0054283 0.5988434), wk = 0.0026385 k( 165) = ( 0.0394323 0.0108567 0.5988434), wk = 0.0026385 k( 166) = ( 0.0591485 0.0162851 0.5988434), wk = 0.0026385 k( 167) = ( 0.0788646 0.0217134 0.5988434), wk = 0.0026385 k( 168) = ( 0.0985808 0.0271418 0.5988434), wk = 0.0026385 k( 169) = ( 0.1182970 0.0325701 0.5988434), wk = 0.0026385 k( 170) = ( 0.1380131 0.0379985 0.5988434), wk = 0.0026385 k( 171) = ( 0.1577293 0.0434268 0.5988434), wk = 0.0026385 k( 172) = ( 0.1774455 0.0488552 0.5988434), wk = 0.0026385 k( 173) = ( 0.1971616 0.0542835 0.5988434), wk = 0.0026385 k( 174) = ( 0.2168778 0.0597119 0.5988433), wk = 0.0026385 k( 175) = ( 0.2365940 0.0651402 0.5988434), wk = 0.0026385 k( 176) = ( 0.2563101 0.0705686 0.5988434), wk = 0.0026385 k( 177) = ( 0.2760263 0.0759969 0.5988434), wk = 0.0026385 k( 178) = ( 0.2957424 0.0814253 0.5988434), wk = 0.0026385 k( 179) = ( 0.3154586 0.0868536 0.5988434), wk = 0.0026385 k( 180) = ( 0.3351748 0.0922820 0.5988434), wk = 0.0026385 k( 181) = ( 0.5000000 0.1376624 -0.2679012), wk = 0.0026385 k( 182) = ( 0.5053808 0.1181191 -0.2679012), wk = 0.0026385 k( 183) = ( 0.5107615 0.0985758 -0.2679012), wk = 0.0026385 k( 184) = ( 0.5161423 0.0790325 -0.2679012), wk = 0.0026385 k( 185) = ( 0.5215230 0.0594892 -0.2679012), wk = 0.0026385 k( 186) = ( 0.5269038 0.0399459 -0.2679012), wk = 0.0026385 k( 187) = ( 0.5322846 0.0204026 -0.2679012), wk = 0.0026385 k( 188) = ( 0.5376653 0.0008593 -0.2679012), wk = 0.0026385 k( 189) = ( 0.5430461 -0.0186840 -0.2679012), wk = 0.0026385 k( 190) = ( 0.5484268 -0.0382273 -0.2679012), wk = 0.0026385 k( 191) = ( 0.5538076 -0.0577706 -0.2679012), wk = 0.0026385 k( 192) = ( 0.5591884 -0.0773139 -0.2679012), wk = 0.0026385 k( 193) = ( 0.5645691 -0.0968573 -0.2679012), wk = 0.0026385 k( 194) = ( 0.5699499 -0.1164006 -0.2679012), wk = 0.0026385 k( 195) = ( 0.5753306 -0.1359439 -0.2679012), wk = 0.0026385 k( 196) = ( 0.5807114 -0.1554872 -0.2679012), wk = 0.0026385 k( 197) = ( 0.5860922 -0.1750305 -0.2679012), wk = 0.0026385 k( 198) = ( 0.5914729 -0.1945738 -0.2679012), wk = 0.0026385 k( 199) = ( 0.5968537 -0.2141171 -0.2679012), wk = 0.0026385 k( 200) = ( 0.6022344 -0.2336604 -0.2679012), wk = 0.0026385 k( 201) = ( 0.6076152 -0.2532037 -0.2679012), wk = 0.0026385 k( 202) = ( 0.6129959 -0.2727470 -0.2679012), wk = 0.0026385 k( 203) = ( 0.6183767 -0.2922903 -0.2679012), wk = 0.0026385 k( 204) = ( 0.6237575 -0.3118337 -0.2679012), wk = 0.0026385 k( 205) = ( 0.6291382 -0.3313770 -0.2679012), wk = 0.0026385 k( 206) = ( 0.6345190 -0.3509203 -0.2679012), wk = 0.0026385 k( 207) = ( 0.6398997 -0.3704636 -0.2679012), wk = 0.0026385 k( 208) = ( 0.6452805 -0.3900069 -0.2679012), wk = 0.0026385 k( 209) = ( 0.6506613 -0.4095502 -0.2679012), wk = 0.0026385 k( 210) = ( 0.6560420 -0.4290935 -0.2679012), wk = 0.0026385 k( 211) = ( 0.6614228 -0.4486368 -0.2679012), wk = 0.0026385 k( 212) = ( 0.6668035 -0.4681801 -0.2679012), wk = 0.0026385 k( 213) = ( 0.6721843 -0.4877234 -0.2679012), wk = 0.0026385 k( 214) = ( 0.6775651 -0.5072667 -0.2679012), wk = 0.0026385 k( 215) = ( 0.6829458 -0.5268100 -0.2679012), wk = 0.0026385 k( 216) = ( 0.6883266 -0.5463534 -0.2679012), wk = 0.0026385 k( 217) = ( 0.6937073 -0.5658967 -0.2679012), wk = 0.0026385 k( 218) = ( 0.6990881 -0.5854400 -0.2679012), wk = 0.0026385 k( 219) = ( 0.7044689 -0.6049833 -0.2679012), wk = 0.0026385 k( 220) = ( 0.7098496 -0.6245266 -0.2679012), wk = 0.0026385 k( 221) = ( 0.7152304 -0.6440699 -0.2679012), wk = 0.0026385 k( 222) = ( 0.7206111 -0.6636132 -0.2679012), wk = 0.0026385 k( 223) = ( 0.7259919 -0.6831565 -0.2679012), wk = 0.0026385 k( 224) = ( 0.2740081 -0.9952174 -0.0000000), wk = 0.0026385 k( 225) = ( 0.2686354 -0.9757033 -0.0000000), wk = 0.0026385 k( 226) = ( 0.2632627 -0.9561893 0.0000000), wk = 0.0026385 k( 227) = ( 0.2578900 -0.9366752 0.0000000), wk = 0.0026385 k( 228) = ( 0.2525173 -0.9171611 -0.0000000), wk = 0.0026385 k( 229) = ( 0.2471446 -0.8976470 -0.0000000), wk = 0.0026385 k( 230) = ( 0.2417719 -0.8781330 0.0000000), wk = 0.0026385 k( 231) = ( 0.2363992 -0.8586189 0.0000000), wk = 0.0026385 k( 232) = ( 0.2310264 -0.8391049 0.0000000), wk = 0.0026385 k( 233) = ( 0.2256537 -0.8195908 -0.0000000), wk = 0.0026385 k( 234) = ( 0.2202810 -0.8000767 0.0000000), wk = 0.0026385 k( 235) = ( 0.2149083 -0.7805626 -0.0000000), wk = 0.0026385 k( 236) = ( 0.2095356 -0.7610486 0.0000000), wk = 0.0026385 k( 237) = ( 0.2041629 -0.7415345 -0.0000000), wk = 0.0026385 k( 238) = ( 0.1987902 -0.7220205 0.0000000), wk = 0.0026385 k( 239) = ( 0.1934175 -0.7025064 -0.0000000), wk = 0.0026385 k( 240) = ( 0.1880448 -0.6829923 0.0000000), wk = 0.0026385 k( 241) = ( 0.1826721 -0.6634783 -0.0000000), wk = 0.0026385 k( 242) = ( 0.1772994 -0.6439642 0.0000000), wk = 0.0026385 k( 243) = ( 0.1719267 -0.6244501 -0.0000000), wk = 0.0026385 k( 244) = ( 0.1665540 -0.6049361 0.0000000), wk = 0.0026385 k( 245) = ( 0.1611812 -0.5854220 -0.0000000), wk = 0.0026385 k( 246) = ( 0.1558085 -0.5659079 0.0000000), wk = 0.0026385 k( 247) = ( 0.1504358 -0.5463939 -0.0000000), wk = 0.0026385 k( 248) = ( 0.1450631 -0.5268798 0.0000000), wk = 0.0026385 k( 249) = ( 0.1396904 -0.5073657 -0.0000000), wk = 0.0026385 k( 250) = ( 0.1343177 -0.4878517 -0.0000000), wk = 0.0026385 k( 251) = ( 0.1289450 -0.4683376 0.0000000), wk = 0.0026385 k( 252) = ( 0.1235723 -0.4488235 -0.0000000), wk = 0.0026385 k( 253) = ( 0.1181996 -0.4293095 0.0000000), wk = 0.0026385 k( 254) = ( 0.1128269 -0.4097954 -0.0000000), wk = 0.0026385 k( 255) = ( 0.1074542 -0.3902813 -0.0000000), wk = 0.0026385 k( 256) = ( 0.1020815 -0.3707672 -0.0000000), wk = 0.0026385 k( 257) = ( 0.0967087 -0.3512532 -0.0000000), wk = 0.0026385 k( 258) = ( 0.0913360 -0.3317391 -0.0000000), wk = 0.0026385 k( 259) = ( 0.0859633 -0.3122251 -0.0000000), wk = 0.0026385 k( 260) = ( 0.0805906 -0.2927110 -0.0000000), wk = 0.0026385 k( 261) = ( 0.0752179 -0.2731969 -0.0000000), wk = 0.0026385 k( 262) = ( 0.0698452 -0.2536829 0.0000000), wk = 0.0026385 k( 263) = ( 0.0644725 -0.2341688 0.0000000), wk = 0.0026385 k( 264) = ( 0.0590998 -0.2146547 0.0000000), wk = 0.0026385 k( 265) = ( 0.0537271 -0.1951407 -0.0000000), wk = 0.0026385 k( 266) = ( 0.0483544 -0.1756266 -0.0000000), wk = 0.0026385 k( 267) = ( 0.0429817 -0.1561125 -0.0000000), wk = 0.0026385 k( 268) = ( 0.0376090 -0.1365985 0.0000000), wk = 0.0026385 k( 269) = ( 0.0322363 -0.1170844 0.0000000), wk = 0.0026385 k( 270) = ( 0.0268635 -0.0975703 -0.0000000), wk = 0.0026385 k( 271) = ( 0.0214908 -0.0780563 -0.0000000), wk = 0.0026385 k( 272) = ( 0.0161181 -0.0585422 -0.0000000), wk = 0.0026385 k( 273) = ( 0.0107454 -0.0390281 0.0000000), wk = 0.0026385 k( 274) = ( 0.0053727 -0.0195141 0.0000000), wk = 0.0026385 k( 275) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 277) = ( 0.0102041 -0.0171263 -0.0027337), wk = 0.0026385 k( 278) = ( 0.0204082 -0.0342525 -0.0054674), wk = 0.0026385 k( 279) = ( 0.0306122 -0.0513788 -0.0082011), wk = 0.0026385 k( 280) = ( 0.0408163 -0.0685051 -0.0109347), wk = 0.0026385 k( 281) = ( 0.0510204 -0.0856313 -0.0136684), wk = 0.0026385 k( 282) = ( 0.0612245 -0.1027576 -0.0164021), wk = 0.0026385 k( 283) = ( 0.0714286 -0.1198838 -0.0191358), wk = 0.0026385 k( 284) = ( 0.0816327 -0.1370101 -0.0218695), wk = 0.0026385 k( 285) = ( 0.0918367 -0.1541364 -0.0246032), wk = 0.0026385 k( 286) = ( 0.1020408 -0.1712627 -0.0273369), wk = 0.0026385 k( 287) = ( 0.1122449 -0.1883889 -0.0300705), wk = 0.0026385 k( 288) = ( 0.1224490 -0.2055152 -0.0328042), wk = 0.0026385 k( 289) = ( 0.1326531 -0.2226414 -0.0355379), wk = 0.0026385 k( 290) = ( 0.1428571 -0.2397677 -0.0382716), wk = 0.0026385 k( 291) = ( 0.1530612 -0.2568940 -0.0410053), wk = 0.0026385 k( 292) = ( 0.1632653 -0.2740202 -0.0437390), wk = 0.0026385 k( 293) = ( 0.1734694 -0.2911465 -0.0464727), wk = 0.0026385 k( 294) = ( 0.1836735 -0.3082728 -0.0492063), wk = 0.0026385 k( 295) = ( 0.1938776 -0.3253990 -0.0519400), wk = 0.0026385 k( 296) = ( 0.2040816 -0.3425253 -0.0546737), wk = 0.0026385 k( 297) = ( 0.2142857 -0.3596515 -0.0574074), wk = 0.0026385 k( 298) = ( 0.2244898 -0.3767778 -0.0601411), wk = 0.0026385 k( 299) = ( 0.2346939 -0.3939041 -0.0628748), wk = 0.0026385 k( 300) = ( 0.2448980 -0.4110303 -0.0656085), wk = 0.0026385 k( 301) = ( 0.2551020 -0.4281566 -0.0683421), wk = 0.0026385 k( 302) = ( 0.2653061 -0.4452829 -0.0710758), wk = 0.0026385 k( 303) = ( 0.2755102 -0.4624091 -0.0738095), wk = 0.0026385 k( 304) = ( 0.2857143 -0.4795354 -0.0765432), wk = 0.0026385 k( 305) = ( 0.2959184 -0.4966617 -0.0792769), wk = 0.0026385 k( 306) = ( 0.3061224 -0.5137879 -0.0820106), wk = 0.0026385 k( 307) = ( 0.3163265 -0.5309142 -0.0847443), wk = 0.0026385 k( 308) = ( 0.3265306 -0.5480405 -0.0874779), wk = 0.0026385 k( 309) = ( 0.3367347 -0.5651667 -0.0902116), wk = 0.0026385 k( 310) = ( 0.3469388 -0.5822930 -0.0929453), wk = 0.0026385 k( 311) = ( 0.3571429 -0.5994193 -0.0956790), wk = 0.0026385 k( 312) = ( 0.3673469 -0.6165455 -0.0984127), wk = 0.0026385 k( 313) = ( 0.3775510 -0.6336718 -0.1011464), wk = 0.0026385 k( 314) = ( 0.3877551 -0.6507980 -0.1038801), wk = 0.0026385 k( 315) = ( 0.3979592 -0.6679243 -0.1066137), wk = 0.0026385 k( 316) = ( 0.4081633 -0.6850506 -0.1093474), wk = 0.0026385 k( 317) = ( 0.4183674 -0.7021768 -0.1120811), wk = 0.0026385 k( 318) = ( 0.4285714 -0.7193031 -0.1148148), wk = 0.0026385 k( 319) = ( 0.4387755 -0.7364294 -0.1175485), wk = 0.0026385 k( 320) = ( 0.4489796 -0.7535556 -0.1202822), wk = 0.0026385 k( 321) = ( 0.4591837 -0.7706819 -0.1230159), wk = 0.0026385 k( 322) = ( 0.4693878 -0.7878082 -0.1257495), wk = 0.0026385 k( 323) = ( 0.4795918 -0.8049344 -0.1284832), wk = 0.0026385 k( 324) = ( 0.4897959 -0.8220607 -0.1312169), wk = 0.0026385 k( 325) = ( 0.5000000 -0.8391870 -0.1339506), wk = 0.0026385 k( 326) = ( 0.5000000 -0.8391870 0.4648928), wk = 0.0026385 k( 327) = ( 0.4905660 -0.8233532 0.4561212), wk = 0.0026385 k( 328) = ( 0.4811321 -0.8075195 0.4473496), wk = 0.0026385 k( 329) = ( 0.4716981 -0.7916858 0.4385781), wk = 0.0026385 k( 330) = ( 0.4622641 -0.7758521 0.4298065), wk = 0.0026385 k( 331) = ( 0.4528302 -0.7600184 0.4210350), wk = 0.0026385 k( 332) = ( 0.4433962 -0.7441847 0.4122634), wk = 0.0026385 k( 333) = ( 0.4339623 -0.7283509 0.4034918), wk = 0.0026385 k( 334) = ( 0.4245283 -0.7125172 0.3947203), wk = 0.0026385 k( 335) = ( 0.4150943 -0.6966835 0.3859487), wk = 0.0026385 k( 336) = ( 0.4056604 -0.6808498 0.3771771), wk = 0.0026385 k( 337) = ( 0.3962264 -0.6650161 0.3684056), wk = 0.0026385 k( 338) = ( 0.3867925 -0.6491824 0.3596340), wk = 0.0026385 k( 339) = ( 0.3773585 -0.6333486 0.3508625), wk = 0.0026385 k( 340) = ( 0.3679245 -0.6175149 0.3420909), wk = 0.0026385 k( 341) = ( 0.3584906 -0.6016812 0.3333193), wk = 0.0026385 k( 342) = ( 0.3490566 -0.5858475 0.3245478), wk = 0.0026385 k( 343) = ( 0.3396226 -0.5700138 0.3157762), wk = 0.0026385 k( 344) = ( 0.3301887 -0.5541801 0.3070047), wk = 0.0026385 k( 345) = ( 0.3207547 -0.5383464 0.2982331), wk = 0.0026385 k( 346) = ( 0.3113207 -0.5225126 0.2894615), wk = 0.0026385 k( 347) = ( 0.3018868 -0.5066789 0.2806900), wk = 0.0026385 k( 348) = ( 0.2924528 -0.4908452 0.2719184), wk = 0.0026385 k( 349) = ( 0.2830189 -0.4750115 0.2631468), wk = 0.0026385 k( 350) = ( 0.2735849 -0.4591778 0.2543753), wk = 0.0026385 k( 351) = ( 0.2641509 -0.4433440 0.2456037), wk = 0.0026385 k( 352) = ( 0.2547170 -0.4275103 0.2368322), wk = 0.0026385 k( 353) = ( 0.2452830 -0.4116766 0.2280606), wk = 0.0026385 k( 354) = ( 0.2358491 -0.3958429 0.2192890), wk = 0.0026385 k( 355) = ( 0.2264151 -0.3800092 0.2105175), wk = 0.0026385 k( 356) = ( 0.2169811 -0.3641755 0.2017459), wk = 0.0026385 k( 357) = ( 0.2075472 -0.3483418 0.1929744), wk = 0.0026385 k( 358) = ( 0.1981132 -0.3325080 0.1842028), wk = 0.0026385 k( 359) = ( 0.1886792 -0.3166743 0.1754312), wk = 0.0026385 k( 360) = ( 0.1792453 -0.3008406 0.1666597), wk = 0.0026385 k( 361) = ( 0.1698113 -0.2850069 0.1578881), wk = 0.0026385 k( 362) = ( 0.1603774 -0.2691732 0.1491165), wk = 0.0026385 k( 363) = ( 0.1509434 -0.2533395 0.1403450), wk = 0.0026385 k( 364) = ( 0.1415094 -0.2375057 0.1315734), wk = 0.0026385 k( 365) = ( 0.1320755 -0.2216720 0.1228019), wk = 0.0026385 k( 366) = ( 0.1226415 -0.2058383 0.1140303), wk = 0.0026385 k( 367) = ( 0.1132076 -0.1900046 0.1052587), wk = 0.0026385 k( 368) = ( 0.1037736 -0.1741709 0.0964872), wk = 0.0026385 k( 369) = ( 0.0943396 -0.1583372 0.0877156), wk = 0.0026385 k( 370) = ( 0.0849057 -0.1425034 0.0789441), wk = 0.0026385 k( 371) = ( 0.0754717 -0.1266697 0.0701725), wk = 0.0026385 k( 372) = ( 0.0660377 -0.1108360 0.0614009), wk = 0.0026385 k( 373) = ( 0.0566038 -0.0950023 0.0526294), wk = 0.0026385 k( 374) = ( 0.0471698 -0.0791686 0.0438578), wk = 0.0026385 k( 375) = ( 0.0377359 -0.0633349 0.0350862), wk = 0.0026385 k( 376) = ( 0.0283019 -0.0475012 0.0263147), wk = 0.0026385 k( 377) = ( 0.0188679 -0.0316674 0.0175431), wk = 0.0026385 k( 378) = ( 0.0094340 -0.0158337 0.0087716), wk = 0.0026385 k( 379) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 2) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0026385 k( 3) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0026385 k( 4) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0026385 k( 5) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0026385 k( 6) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0026385 k( 7) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0026385 k( 8) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0026385 k( 9) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0026385 k( 10) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0026385 k( 11) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0026385 k( 12) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0026385 k( 13) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0026385 k( 14) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0026385 k( 15) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0026385 k( 16) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0026385 k( 17) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0026385 k( 18) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0026385 k( 19) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0026385 k( 20) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0026385 k( 21) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0026385 k( 22) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0026385 k( 23) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0026385 k( 24) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0026385 k( 25) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0026385 k( 26) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0026385 k( 27) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0026385 k( 28) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0026385 k( 29) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0026385 k( 30) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026385 k( 31) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026385 k( 32) = ( 0.5086750 0.5086750 0.0184239), wk = 0.0026385 k( 33) = ( 0.5173500 0.5173500 0.0368479), wk = 0.0026385 k( 34) = ( 0.5260250 0.5260250 0.0552718), wk = 0.0026385 k( 35) = ( 0.5347000 0.5347000 0.0736957), wk = 0.0026385 k( 36) = ( 0.5433751 0.5433751 0.0921197), wk = 0.0026385 k( 37) = ( 0.5520501 0.5520501 0.1105436), wk = 0.0026385 k( 38) = ( 0.5607251 0.5607251 0.1289675), wk = 0.0026385 k( 39) = ( 0.5694001 0.5694001 0.1473915), wk = 0.0026385 k( 40) = ( 0.5780751 0.5780751 0.1658154), wk = 0.0026385 k( 41) = ( 0.5867501 0.5867501 0.1842393), wk = 0.0026385 k( 42) = ( 0.5954251 0.5954251 0.2026633), wk = 0.0026385 k( 43) = ( 0.6041001 0.6041001 0.2210872), wk = 0.0026385 k( 44) = ( 0.6127752 0.6127751 0.2395111), wk = 0.0026385 k( 45) = ( 0.6214502 0.6214502 0.2579351), wk = 0.0026385 k( 46) = ( 0.6301252 0.6301252 0.2763590), wk = 0.0026385 k( 47) = ( 0.6388002 0.6388002 0.2947829), wk = 0.0026385 k( 48) = ( 0.6474752 0.6474752 0.3132069), wk = 0.0026385 k( 49) = ( 0.6561502 0.6561502 0.3316308), wk = 0.0026385 k( 50) = ( 0.6648252 0.6648252 0.3500547), wk = 0.0026385 k( 51) = ( 0.6648252 0.6648252 0.3500547), wk = 0.0026385 k( 52) = ( 0.6545237 0.6545237 0.3594263), wk = 0.0026385 k( 53) = ( 0.6442221 0.6442221 0.3687979), wk = 0.0026385 k( 54) = ( 0.6339205 0.6339205 0.3781695), wk = 0.0026385 k( 55) = ( 0.6236189 0.6236189 0.3875410), wk = 0.0026385 k( 56) = ( 0.6133173 0.6133173 0.3969126), wk = 0.0026385 k( 57) = ( 0.6030158 0.6030158 0.4062842), wk = 0.0026385 k( 58) = ( 0.5927142 0.5927142 0.4156558), wk = 0.0026385 k( 59) = ( 0.5824126 0.5824126 0.4250274), wk = 0.0026385 k( 60) = ( 0.5721110 0.5721110 0.4343989), wk = 0.0026385 k( 61) = ( 0.5618095 0.5618095 0.4437705), wk = 0.0026385 k( 62) = ( 0.5515079 0.5515079 0.4531421), wk = 0.0026385 k( 63) = ( 0.5412063 0.5412063 0.4625137), wk = 0.0026385 k( 64) = ( 0.5309047 0.5309047 0.4718853), wk = 0.0026385 k( 65) = ( 0.5206032 0.5206032 0.4812568), wk = 0.0026385 k( 66) = ( 0.5103016 0.5103016 0.4906284), wk = 0.0026385 k( 67) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026385 k( 68) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026385 k( 69) = ( 0.5054044 0.4945956 0.5000000), wk = 0.0026385 k( 70) = ( 0.5108087 0.4891913 0.5000000), wk = 0.0026385 k( 71) = ( 0.5162131 0.4837869 0.5000000), wk = 0.0026385 k( 72) = ( 0.5216174 0.4783826 0.5000000), wk = 0.0026385 k( 73) = ( 0.5270218 0.4729782 0.5000000), wk = 0.0026385 k( 74) = ( 0.5324262 0.4675738 0.5000000), wk = 0.0026385 k( 75) = ( 0.5378305 0.4621695 0.5000000), wk = 0.0026385 k( 76) = ( 0.5432349 0.4567651 0.5000000), wk = 0.0026385 k( 77) = ( 0.5486393 0.4513607 0.5000000), wk = 0.0026385 k( 78) = ( 0.5540436 0.4459564 0.5000000), wk = 0.0026385 k( 79) = ( 0.5594480 0.4405520 0.5000000), wk = 0.0026385 k( 80) = ( 0.5648523 0.4351477 0.5000000), wk = 0.0026385 k( 81) = ( 0.5702567 0.4297433 0.5000000), wk = 0.0026385 k( 82) = ( 0.5756611 0.4243389 0.5000000), wk = 0.0026385 k( 83) = ( 0.5810654 0.4189346 0.5000000), wk = 0.0026385 k( 84) = ( 0.5864698 0.4135302 0.5000000), wk = 0.0026385 k( 85) = ( 0.5918741 0.4081259 0.5000000), wk = 0.0026385 k( 86) = ( 0.5972785 0.4027215 0.5000000), wk = 0.0026385 k( 87) = ( 0.6026828 0.3973172 0.5000000), wk = 0.0026385 k( 88) = ( 0.6080872 0.3919128 0.5000000), wk = 0.0026385 k( 89) = ( 0.6134916 0.3865084 0.5000000), wk = 0.0026385 k( 90) = ( 0.6188959 0.3811041 0.5000000), wk = 0.0026385 k( 91) = ( 0.6243003 0.3756997 0.5000000), wk = 0.0026385 k( 92) = ( 0.6297047 0.3702953 0.5000000), wk = 0.0026385 k( 93) = ( 0.6351090 0.3648910 0.5000000), wk = 0.0026385 k( 94) = ( 0.6405134 0.3594866 0.5000000), wk = 0.0026385 k( 95) = ( 0.6459177 0.3540823 0.5000000), wk = 0.0026385 k( 96) = ( 0.6513221 0.3486779 0.5000000), wk = 0.0026385 k( 97) = ( 0.6567265 0.3432735 0.5000000), wk = 0.0026385 k( 98) = ( 0.6621308 0.3378692 0.5000000), wk = 0.0026385 k( 99) = ( 0.6675352 0.3324648 0.5000000), wk = 0.0026385 k( 100) = ( 0.6729395 0.3270605 0.5000000), wk = 0.0026385 k( 101) = ( 0.6783439 0.3216561 0.5000000), wk = 0.0026385 k( 102) = ( 0.6837483 0.3162517 0.5000000), wk = 0.0026385 k( 103) = ( 0.6891526 0.3108474 0.5000000), wk = 0.0026385 k( 104) = ( 0.6945570 0.3054430 0.5000000), wk = 0.0026385 k( 105) = ( 0.6999614 0.3000386 0.5000000), wk = 0.0026385 k( 106) = ( 0.7053657 0.2946343 0.5000000), wk = 0.0026385 k( 107) = ( 0.7107701 0.2892299 0.5000000), wk = 0.0026385 k( 108) = ( 0.7161744 0.2838256 0.5000000), wk = 0.0026385 k( 109) = ( 0.7215788 0.2784212 0.5000000), wk = 0.0026385 k( 110) = ( 0.7269832 0.2730168 0.5000000), wk = 0.0026385 k( 111) = ( 0.7323875 0.2676125 0.5000000), wk = 0.0026385 k( 112) = ( 0.7377919 0.2622081 0.5000000), wk = 0.0026385 k( 113) = ( 0.7431962 0.2568038 0.5000000), wk = 0.0026385 k( 114) = ( 0.7486006 0.2513994 0.5000000), wk = 0.0026385 k( 115) = ( 0.2513994 -0.2513994 0.5000000), wk = 0.0026385 k( 116) = ( 0.2460505 -0.2460505 0.5000000), wk = 0.0026385 k( 117) = ( 0.2407016 -0.2407016 0.5000000), wk = 0.0026385 k( 118) = ( 0.2353526 -0.2353526 0.5000000), wk = 0.0026385 k( 119) = ( 0.2300037 -0.2300037 0.5000000), wk = 0.0026385 k( 120) = ( 0.2246548 -0.2246548 0.5000000), wk = 0.0026385 k( 121) = ( 0.2193059 -0.2193059 0.5000000), wk = 0.0026385 k( 122) = ( 0.2139569 -0.2139569 0.5000000), wk = 0.0026385 k( 123) = ( 0.2086080 -0.2086080 0.5000000), wk = 0.0026385 k( 124) = ( 0.2032591 -0.2032591 0.5000000), wk = 0.0026385 k( 125) = ( 0.1979102 -0.1979102 0.5000000), wk = 0.0026385 k( 126) = ( 0.1925612 -0.1925613 0.5000000), wk = 0.0026385 k( 127) = ( 0.1872123 -0.1872123 0.5000000), wk = 0.0026385 k( 128) = ( 0.1818634 -0.1818634 0.5000000), wk = 0.0026385 k( 129) = ( 0.1765145 -0.1765145 0.5000000), wk = 0.0026385 k( 130) = ( 0.1711655 -0.1711656 0.5000000), wk = 0.0026385 k( 131) = ( 0.1658166 -0.1658166 0.5000000), wk = 0.0026385 k( 132) = ( 0.1604677 -0.1604677 0.5000000), wk = 0.0026385 k( 133) = ( 0.1551188 -0.1551188 0.5000000), wk = 0.0026385 k( 134) = ( 0.1497699 -0.1497699 0.5000000), wk = 0.0026385 k( 135) = ( 0.1444209 -0.1444209 0.5000000), wk = 0.0026385 k( 136) = ( 0.1390720 -0.1390720 0.5000000), wk = 0.0026385 k( 137) = ( 0.1337231 -0.1337231 0.5000000), wk = 0.0026385 k( 138) = ( 0.1283742 -0.1283742 0.5000000), wk = 0.0026385 k( 139) = ( 0.1230252 -0.1230252 0.5000000), wk = 0.0026385 k( 140) = ( 0.1176763 -0.1176763 0.5000000), wk = 0.0026385 k( 141) = ( 0.1123274 -0.1123274 0.5000000), wk = 0.0026385 k( 142) = ( 0.1069785 -0.1069785 0.5000000), wk = 0.0026385 k( 143) = ( 0.1016295 -0.1016295 0.5000000), wk = 0.0026385 k( 144) = ( 0.0962806 -0.0962806 0.5000000), wk = 0.0026385 k( 145) = ( 0.0909317 -0.0909317 0.5000000), wk = 0.0026385 k( 146) = ( 0.0855828 -0.0855828 0.5000000), wk = 0.0026385 k( 147) = ( 0.0802338 -0.0802338 0.5000000), wk = 0.0026385 k( 148) = ( 0.0748849 -0.0748849 0.5000000), wk = 0.0026385 k( 149) = ( 0.0695360 -0.0695360 0.5000000), wk = 0.0026385 k( 150) = ( 0.0641871 -0.0641871 0.5000000), wk = 0.0026385 k( 151) = ( 0.0588382 -0.0588382 0.5000000), wk = 0.0026385 k( 152) = ( 0.0534892 -0.0534892 0.5000000), wk = 0.0026385 k( 153) = ( 0.0481403 -0.0481403 0.5000000), wk = 0.0026385 k( 154) = ( 0.0427914 -0.0427914 0.5000000), wk = 0.0026385 k( 155) = ( 0.0374425 -0.0374425 0.5000000), wk = 0.0026385 k( 156) = ( 0.0320935 -0.0320935 0.5000000), wk = 0.0026385 k( 157) = ( 0.0267446 -0.0267446 0.5000000), wk = 0.0026385 k( 158) = ( 0.0213957 -0.0213957 0.5000000), wk = 0.0026385 k( 159) = ( 0.0160468 -0.0160468 0.5000000), wk = 0.0026385 k( 160) = ( 0.0106979 -0.0106979 0.5000000), wk = 0.0026385 k( 161) = ( 0.0053489 -0.0053489 0.5000000), wk = 0.0026385 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 164) = ( 0.0197162 0.0197162 0.5088203), wk = 0.0026385 k( 165) = ( 0.0394323 0.0394323 0.5176406), wk = 0.0026385 k( 166) = ( 0.0591485 0.0591485 0.5264609), wk = 0.0026385 k( 167) = ( 0.0788646 0.0788646 0.5352812), wk = 0.0026385 k( 168) = ( 0.0985808 0.0985808 0.5441015), wk = 0.0026385 k( 169) = ( 0.1182970 0.1182970 0.5529219), wk = 0.0026385 k( 170) = ( 0.1380131 0.1380131 0.5617422), wk = 0.0026385 k( 171) = ( 0.1577293 0.1577293 0.5705625), wk = 0.0026385 k( 172) = ( 0.1774455 0.1774455 0.5793828), wk = 0.0026385 k( 173) = ( 0.1971616 0.1971616 0.5882031), wk = 0.0026385 k( 174) = ( 0.2168778 0.2168778 0.5970234), wk = 0.0026385 k( 175) = ( 0.2365940 0.2365940 0.6058437), wk = 0.0026385 k( 176) = ( 0.2563101 0.2563101 0.6146640), wk = 0.0026385 k( 177) = ( 0.2760263 0.2760263 0.6234843), wk = 0.0026385 k( 178) = ( 0.2957424 0.2957424 0.6323046), wk = 0.0026385 k( 179) = ( 0.3154586 0.3154586 0.6411250), wk = 0.0026385 k( 180) = ( 0.3351748 0.3351748 0.6499453), wk = 0.0026385 k( 181) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026385 k( 182) = ( 0.5053808 0.4946192 0.0000000), wk = 0.0026385 k( 183) = ( 0.5107615 0.4892385 0.0000000), wk = 0.0026385 k( 184) = ( 0.5161423 0.4838577 -0.0000000), wk = 0.0026385 k( 185) = ( 0.5215230 0.4784770 0.0000000), wk = 0.0026385 k( 186) = ( 0.5269038 0.4730962 0.0000000), wk = 0.0026385 k( 187) = ( 0.5322846 0.4677154 0.0000000), wk = 0.0026385 k( 188) = ( 0.5376653 0.4623347 0.0000000), wk = 0.0026385 k( 189) = ( 0.5430461 0.4569539 0.0000000), wk = 0.0026385 k( 190) = ( 0.5484268 0.4515732 0.0000000), wk = 0.0026385 k( 191) = ( 0.5538076 0.4461924 0.0000000), wk = 0.0026385 k( 192) = ( 0.5591884 0.4408116 0.0000000), wk = 0.0026385 k( 193) = ( 0.5645691 0.4354309 0.0000000), wk = 0.0026385 k( 194) = ( 0.5699499 0.4300501 -0.0000000), wk = 0.0026385 k( 195) = ( 0.5753306 0.4246694 -0.0000000), wk = 0.0026385 k( 196) = ( 0.5807114 0.4192886 0.0000000), wk = 0.0026385 k( 197) = ( 0.5860922 0.4139079 0.0000000), wk = 0.0026385 k( 198) = ( 0.5914729 0.4085271 0.0000000), wk = 0.0026385 k( 199) = ( 0.5968537 0.4031463 0.0000000), wk = 0.0026385 k( 200) = ( 0.6022344 0.3977656 0.0000000), wk = 0.0026385 k( 201) = ( 0.6076152 0.3923848 0.0000000), wk = 0.0026385 k( 202) = ( 0.6129959 0.3870041 0.0000000), wk = 0.0026385 k( 203) = ( 0.6183767 0.3816233 0.0000000), wk = 0.0026385 k( 204) = ( 0.6237575 0.3762425 0.0000000), wk = 0.0026385 k( 205) = ( 0.6291382 0.3708618 -0.0000000), wk = 0.0026385 k( 206) = ( 0.6345190 0.3654810 -0.0000000), wk = 0.0026385 k( 207) = ( 0.6398997 0.3601003 0.0000000), wk = 0.0026385 k( 208) = ( 0.6452805 0.3547195 0.0000000), wk = 0.0026385 k( 209) = ( 0.6506613 0.3493387 0.0000000), wk = 0.0026385 k( 210) = ( 0.6560420 0.3439580 0.0000000), wk = 0.0026385 k( 211) = ( 0.6614228 0.3385772 0.0000000), wk = 0.0026385 k( 212) = ( 0.6668035 0.3331965 0.0000000), wk = 0.0026385 k( 213) = ( 0.6721843 0.3278157 0.0000000), wk = 0.0026385 k( 214) = ( 0.6775651 0.3224349 0.0000000), wk = 0.0026385 k( 215) = ( 0.6829458 0.3170542 0.0000000), wk = 0.0026385 k( 216) = ( 0.6883266 0.3116734 -0.0000000), wk = 0.0026385 k( 217) = ( 0.6937073 0.3062927 -0.0000000), wk = 0.0026385 k( 218) = ( 0.6990881 0.3009119 0.0000000), wk = 0.0026385 k( 219) = ( 0.7044689 0.2955311 0.0000000), wk = 0.0026385 k( 220) = ( 0.7098496 0.2901504 0.0000000), wk = 0.0026385 k( 221) = ( 0.7152304 0.2847696 0.0000000), wk = 0.0026385 k( 222) = ( 0.7206111 0.2793889 -0.0000000), wk = 0.0026385 k( 223) = ( 0.7259919 0.2740081 0.0000000), wk = 0.0026385 k( 224) = ( 0.2740081 -0.2740081 -0.0000000), wk = 0.0026385 k( 225) = ( 0.2686354 -0.2686354 0.0000000), wk = 0.0026385 k( 226) = ( 0.2632627 -0.2632627 -0.0000000), wk = 0.0026385 k( 227) = ( 0.2578900 -0.2578900 -0.0000000), wk = 0.0026385 k( 228) = ( 0.2525173 -0.2525173 -0.0000000), wk = 0.0026385 k( 229) = ( 0.2471446 -0.2471446 -0.0000000), wk = 0.0026385 k( 230) = ( 0.2417719 -0.2417719 -0.0000000), wk = 0.0026385 k( 231) = ( 0.2363992 -0.2363992 0.0000000), wk = 0.0026385 k( 232) = ( 0.2310264 -0.2310265 -0.0000000), wk = 0.0026385 k( 233) = ( 0.2256537 -0.2256537 0.0000000), wk = 0.0026385 k( 234) = ( 0.2202810 -0.2202810 0.0000000), wk = 0.0026385 k( 235) = ( 0.2149083 -0.2149083 -0.0000000), wk = 0.0026385 k( 236) = ( 0.2095356 -0.2095356 0.0000000), wk = 0.0026385 k( 237) = ( 0.2041629 -0.2041629 -0.0000000), wk = 0.0026385 k( 238) = ( 0.1987902 -0.1987902 -0.0000000), wk = 0.0026385 k( 239) = ( 0.1934175 -0.1934175 -0.0000000), wk = 0.0026385 k( 240) = ( 0.1880448 -0.1880448 0.0000000), wk = 0.0026385 k( 241) = ( 0.1826721 -0.1826721 -0.0000000), wk = 0.0026385 k( 242) = ( 0.1772994 -0.1772994 -0.0000000), wk = 0.0026385 k( 243) = ( 0.1719267 -0.1719267 -0.0000000), wk = 0.0026385 k( 244) = ( 0.1665540 -0.1665540 0.0000000), wk = 0.0026385 k( 245) = ( 0.1611812 -0.1611812 0.0000000), wk = 0.0026385 k( 246) = ( 0.1558085 -0.1558085 -0.0000000), wk = 0.0026385 k( 247) = ( 0.1504358 -0.1504358 -0.0000000), wk = 0.0026385 k( 248) = ( 0.1450631 -0.1450631 -0.0000000), wk = 0.0026385 k( 249) = ( 0.1396904 -0.1396904 -0.0000000), wk = 0.0026385 k( 250) = ( 0.1343177 -0.1343177 -0.0000000), wk = 0.0026385 k( 251) = ( 0.1289450 -0.1289450 0.0000000), wk = 0.0026385 k( 252) = ( 0.1235723 -0.1235723 -0.0000000), wk = 0.0026385 k( 253) = ( 0.1181996 -0.1181996 0.0000000), wk = 0.0026385 k( 254) = ( 0.1128269 -0.1128269 0.0000000), wk = 0.0026385 k( 255) = ( 0.1074542 -0.1074542 -0.0000000), wk = 0.0026385 k( 256) = ( 0.1020815 -0.1020814 -0.0000000), wk = 0.0026385 k( 257) = ( 0.0967087 -0.0967088 -0.0000000), wk = 0.0026385 k( 258) = ( 0.0913360 -0.0913360 -0.0000000), wk = 0.0026385 k( 259) = ( 0.0859633 -0.0859633 -0.0000000), wk = 0.0026385 k( 260) = ( 0.0805906 -0.0805906 0.0000000), wk = 0.0026385 k( 261) = ( 0.0752179 -0.0752179 -0.0000000), wk = 0.0026385 k( 262) = ( 0.0698452 -0.0698452 0.0000000), wk = 0.0026385 k( 263) = ( 0.0644725 -0.0644725 0.0000000), wk = 0.0026385 k( 264) = ( 0.0590998 -0.0590998 0.0000000), wk = 0.0026385 k( 265) = ( 0.0537271 -0.0537271 -0.0000000), wk = 0.0026385 k( 266) = ( 0.0483544 -0.0483544 -0.0000000), wk = 0.0026385 k( 267) = ( 0.0429817 -0.0429817 -0.0000000), wk = 0.0026385 k( 268) = ( 0.0376090 -0.0376090 0.0000000), wk = 0.0026385 k( 269) = ( 0.0322363 -0.0322363 0.0000000), wk = 0.0026385 k( 270) = ( 0.0268635 -0.0268635 -0.0000000), wk = 0.0026385 k( 271) = ( 0.0214908 -0.0214908 -0.0000000), wk = 0.0026385 k( 272) = ( 0.0161181 -0.0161181 -0.0000000), wk = 0.0026385 k( 273) = ( 0.0107454 -0.0107454 -0.0000000), wk = 0.0026385 k( 274) = ( 0.0053727 -0.0053727 -0.0000000), wk = 0.0026385 k( 275) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 277) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0026385 k( 278) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0026385 k( 279) = ( 0.0306122 0.0000000 -0.0000000), wk = 0.0026385 k( 280) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0026385 k( 281) = ( 0.0510204 -0.0000000 0.0000000), wk = 0.0026385 k( 282) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0026385 k( 283) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0026385 k( 284) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0026385 k( 285) = ( 0.0918367 -0.0000000 -0.0000000), wk = 0.0026385 k( 286) = ( 0.1020408 -0.0000000 0.0000000), wk = 0.0026385 k( 287) = ( 0.1122449 -0.0000000 0.0000000), wk = 0.0026385 k( 288) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0026385 k( 289) = ( 0.1326531 -0.0000000 0.0000000), wk = 0.0026385 k( 290) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0026385 k( 291) = ( 0.1530612 -0.0000000 -0.0000000), wk = 0.0026385 k( 292) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0026385 k( 293) = ( 0.1734694 -0.0000000 -0.0000000), wk = 0.0026385 k( 294) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0026385 k( 295) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0026385 k( 296) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0026385 k( 297) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0026385 k( 298) = ( 0.2244898 -0.0000000 0.0000000), wk = 0.0026385 k( 299) = ( 0.2346939 -0.0000000 0.0000000), wk = 0.0026385 k( 300) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0026385 k( 301) = ( 0.2551020 -0.0000000 0.0000000), wk = 0.0026385 k( 302) = ( 0.2653061 -0.0000000 0.0000000), wk = 0.0026385 k( 303) = ( 0.2755102 -0.0000000 0.0000000), wk = 0.0026385 k( 304) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0026385 k( 305) = ( 0.2959184 -0.0000000 0.0000000), wk = 0.0026385 k( 306) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0026385 k( 307) = ( 0.3163265 -0.0000000 0.0000000), wk = 0.0026385 k( 308) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0026385 k( 309) = ( 0.3367347 -0.0000000 0.0000000), wk = 0.0026385 k( 310) = ( 0.3469388 -0.0000000 -0.0000000), wk = 0.0026385 k( 311) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0026385 k( 312) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0026385 k( 313) = ( 0.3775510 -0.0000000 -0.0000000), wk = 0.0026385 k( 314) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0026385 k( 315) = ( 0.3979592 -0.0000000 0.0000000), wk = 0.0026385 k( 316) = ( 0.4081633 -0.0000000 -0.0000000), wk = 0.0026385 k( 317) = ( 0.4183674 -0.0000000 -0.0000000), wk = 0.0026385 k( 318) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0026385 k( 319) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0026385 k( 320) = ( 0.4489796 -0.0000000 0.0000000), wk = 0.0026385 k( 321) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0026385 k( 322) = ( 0.4693878 -0.0000000 0.0000000), wk = 0.0026385 k( 323) = ( 0.4795918 -0.0000000 -0.0000000), wk = 0.0026385 k( 324) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0026385 k( 325) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0026385 k( 326) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026385 k( 327) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0026385 k( 328) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0026385 k( 329) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0026385 k( 330) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0026385 k( 331) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0026385 k( 332) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0026385 k( 333) = ( 0.4339623 0.0000000 0.4339623), wk = 0.0026385 k( 334) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0026385 k( 335) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0026385 k( 336) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0026385 k( 337) = ( 0.3962264 0.0000000 0.3962264), wk = 0.0026385 k( 338) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0026385 k( 339) = ( 0.3773585 0.0000000 0.3773585), wk = 0.0026385 k( 340) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0026385 k( 341) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0026385 k( 342) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0026385 k( 343) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0026385 k( 344) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0026385 k( 345) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0026385 k( 346) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0026385 k( 347) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0026385 k( 348) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0026385 k( 349) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0026385 k( 350) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0026385 k( 351) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0026385 k( 352) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0026385 k( 353) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0026385 k( 354) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0026385 k( 355) = ( 0.2264151 -0.0000000 0.2264151), wk = 0.0026385 k( 356) = ( 0.2169811 0.0000000 0.2169811), wk = 0.0026385 k( 357) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0026385 k( 358) = ( 0.1981132 0.0000000 0.1981132), wk = 0.0026385 k( 359) = ( 0.1886792 -0.0000000 0.1886792), wk = 0.0026385 k( 360) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0026385 k( 361) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0026385 k( 362) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0026385 k( 363) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0026385 k( 364) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0026385 k( 365) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0026385 k( 366) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0026385 k( 367) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0026385 k( 368) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0026385 k( 369) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0026385 k( 370) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0026385 k( 371) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0026385 k( 372) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0026385 k( 373) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0026385 k( 374) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0026385 k( 375) = ( 0.0377359 -0.0000000 0.0377358), wk = 0.0026385 k( 376) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0026385 k( 377) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0026385 k( 378) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0026385 k( 379) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 Dense grid: 46805 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30185 G-vectors FFT dimensions: ( 54, 54, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 220, 50) NL pseudopotentials 0.27 Mb ( 110, 158) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1302) G-vector shells 0.01 Mb ( 1302) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 220, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.24 Mb ( 158, 2, 50) The potential is recalculated from file : ./Si2NiSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.8 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 16.8 secs Computing kpt #: 25 total cpu time spent up to now is 17.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.4 secs Computing kpt #: 30 total cpu time spent up to now is 20.0 secs Computing kpt #: 31 total cpu time spent up to now is 20.5 secs Computing kpt #: 32 total cpu time spent up to now is 21.0 secs Computing kpt #: 33 total cpu time spent up to now is 21.5 secs Computing kpt #: 34 total cpu time spent up to now is 22.0 secs Computing kpt #: 35 total cpu time spent up to now is 22.5 secs Computing kpt #: 36 total cpu time spent up to now is 23.0 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.5 secs Computing kpt #: 40 total cpu time spent up to now is 25.1 secs Computing kpt #: 41 total cpu time spent up to now is 25.6 secs Computing kpt #: 42 total cpu time spent up to now is 26.1 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.2 secs Computing kpt #: 45 total cpu time spent up to now is 27.7 secs Computing kpt #: 46 total cpu time spent up to now is 28.3 secs Computing kpt #: 47 total cpu time spent up to now is 28.9 secs Computing kpt #: 48 total cpu time spent up to now is 29.6 secs Computing kpt #: 49 total cpu time spent up to now is 30.2 secs Computing kpt #: 50 total cpu time spent up to now is 30.9 secs Computing kpt #: 51 total cpu time spent up to now is 31.5 secs Computing kpt #: 52 total cpu time spent up to now is 32.2 secs Computing kpt #: 53 total cpu time spent up to now is 32.8 secs Computing kpt #: 54 total cpu time spent up to now is 33.5 secs Computing kpt #: 55 total cpu time spent up to now is 34.1 secs Computing kpt #: 56 total cpu time spent up to now is 34.8 secs Computing kpt #: 57 total cpu time spent up to now is 35.4 secs Computing kpt #: 58 total cpu time spent up to now is 36.0 secs Computing kpt #: 59 total cpu time spent up to now is 36.7 secs Computing kpt #: 60 total cpu time spent up to now is 37.4 secs Computing kpt #: 61 total cpu time spent up to now is 38.1 secs Computing kpt #: 62 total cpu time spent up to now is 38.7 secs Computing kpt #: 63 total cpu time spent up to now is 39.3 secs Computing kpt #: 64 total cpu time spent up to now is 39.9 secs Computing kpt #: 65 total cpu time spent up to now is 40.4 secs Computing kpt #: 66 total cpu time spent up to now is 41.0 secs Computing kpt #: 67 total cpu time spent up to now is 41.5 secs Computing kpt #: 68 total cpu time spent up to now is 42.0 secs Computing kpt #: 69 total cpu time spent up to now is 42.6 secs Computing kpt #: 70 total cpu time spent up to now is 43.1 secs Computing kpt #: 71 total cpu time spent up to now is 43.6 secs Computing kpt #: 72 total cpu time spent up to now is 44.2 secs Computing kpt #: 73 total cpu time spent up to now is 44.8 secs Computing kpt #: 74 total cpu time spent up to now is 45.3 secs Computing kpt #: 75 total cpu time spent up to now is 45.9 secs Computing kpt #: 76 total cpu time spent up to now is 46.5 secs Computing kpt #: 77 total cpu time spent up to now is 47.1 secs Computing kpt #: 78 total cpu time spent up to now is 47.8 secs Computing kpt #: 79 total cpu time spent up to now is 48.4 secs Computing kpt #: 80 total cpu time spent up to now is 49.1 secs Computing kpt #: 81 total cpu time spent up to now is 49.7 secs Computing kpt #: 82 total cpu time spent up to now is 50.3 secs Computing kpt #: 83 total cpu time spent up to now is 50.9 secs Computing kpt #: 84 total cpu time spent up to now is 51.5 secs Computing kpt #: 85 total cpu time spent up to now is 52.2 secs Computing kpt #: 86 total cpu time spent up to now is 52.8 secs Computing kpt #: 87 total cpu time spent up to now is 53.5 secs Computing kpt #: 88 total cpu time spent up to now is 54.1 secs Computing kpt #: 89 total cpu time spent up to now is 54.6 secs Computing kpt #: 90 total cpu time spent up to now is 55.2 secs Computing kpt #: 91 total cpu time spent up to now is 55.8 secs Computing kpt #: 92 total cpu time spent up to now is 56.4 secs Computing kpt #: 93 total cpu time spent up to now is 56.9 secs Computing kpt #: 94 total cpu time spent up to now is 57.5 secs Computing kpt #: 95 total cpu time spent up to now is 58.1 secs Computing kpt #: 96 total cpu time spent up to now is 58.7 secs Computing kpt #: 97 total cpu time spent up to now is 59.2 secs Computing kpt #: 98 total cpu time spent up to now is 59.8 secs Computing kpt #: 99 total cpu time spent up to now is 60.3 secs Computing kpt #: 100 total cpu time spent up to now is 60.9 secs Computing kpt #: 101 total cpu time spent up to now is 61.5 secs Computing kpt #: 102 total cpu time spent up to now is 62.0 secs Computing kpt #: 103 total cpu time spent up to now is 62.6 secs Computing kpt #: 104 total cpu time spent up to now is 63.4 secs Computing kpt #: 105 total cpu time spent up to now is 64.2 secs Computing kpt #: 106 total cpu time spent up to now is 64.8 secs Computing kpt #: 107 total cpu time spent up to now is 65.3 secs Computing kpt #: 108 total cpu time spent up to now is 65.9 secs Computing kpt #: 109 total cpu time spent up to now is 66.4 secs Computing kpt #: 110 total cpu time spent up to now is 67.0 secs Computing kpt #: 111 total cpu time spent up to now is 67.5 secs Computing kpt #: 112 total cpu time spent up to now is 68.0 secs Computing kpt #: 113 total cpu time spent up to now is 68.6 secs Computing kpt #: 114 total cpu time spent up to now is 69.1 secs Computing kpt #: 115 total cpu time spent up to now is 69.6 secs Computing kpt #: 116 total cpu time spent up to now is 70.1 secs Computing kpt #: 117 total cpu time spent up to now is 70.7 secs Computing kpt #: 118 total cpu time spent up to now is 71.2 secs Computing kpt #: 119 total cpu time spent up to now is 71.7 secs Computing kpt #: 120 total cpu time spent up to now is 72.4 secs Computing kpt #: 121 total cpu time spent up to now is 73.0 secs Computing kpt #: 122 total cpu time spent up to now is 73.5 secs Computing kpt #: 123 total cpu time spent up to now is 74.1 secs Computing kpt #: 124 total cpu time spent up to now is 74.6 secs Computing kpt #: 125 total cpu time spent up to now is 75.2 secs Computing kpt #: 126 total cpu time spent up to now is 75.7 secs Computing kpt #: 127 total cpu time spent up to now is 76.3 secs Computing kpt #: 128 total cpu time spent up to now is 76.8 secs Computing kpt #: 129 total cpu time spent up to now is 77.4 secs Computing kpt #: 130 total cpu time spent up to now is 77.9 secs Computing kpt #: 131 total cpu time spent up to now is 78.4 secs Computing kpt #: 132 total cpu time spent up to now is 79.0 secs Computing kpt #: 133 total cpu time spent up to now is 79.5 secs Computing kpt #: 134 total cpu time spent up to now is 80.1 secs Computing kpt #: 135 total cpu time spent up to now is 80.8 secs Computing kpt #: 136 total cpu time spent up to now is 81.4 secs Computing kpt #: 137 total cpu time spent up to now is 82.0 secs Computing kpt #: 138 total cpu time spent up to now is 82.6 secs Computing kpt #: 139 total cpu time spent up to now is 83.3 secs Computing kpt #: 140 total cpu time spent up to now is 83.9 secs Computing kpt #: 141 total cpu time spent up to now is 84.6 secs Computing kpt #: 142 total cpu time spent up to now is 85.2 secs Computing kpt #: 143 total cpu time spent up to now is 85.8 secs Computing kpt #: 144 total cpu time spent up to now is 86.4 secs Computing kpt #: 145 total cpu time spent up to now is 86.9 secs Computing kpt #: 146 total cpu time spent up to now is 87.5 secs Computing kpt #: 147 total cpu time spent up to now is 88.0 secs Computing kpt #: 148 total cpu time spent up to now is 88.6 secs Computing kpt #: 149 total cpu time spent up to now is 89.1 secs Computing kpt #: 150 total cpu time spent up to now is 89.6 secs Computing kpt #: 151 total cpu time spent up to now is 90.2 secs Computing kpt #: 152 total cpu time spent up to now is 90.7 secs Computing kpt #: 153 total cpu time spent up to now is 91.3 secs Computing kpt #: 154 total cpu time spent up to now is 91.8 secs Computing kpt #: 155 total cpu time spent up to now is 92.5 secs Computing kpt #: 156 total cpu time spent up to now is 93.1 secs Computing kpt #: 157 total cpu time spent up to now is 93.8 secs Computing kpt #: 158 total cpu time spent up to now is 94.4 secs Computing kpt #: 159 total cpu time spent up to now is 94.9 secs Computing kpt #: 160 total cpu time spent up to now is 95.6 secs Computing kpt #: 161 total cpu time spent up to now is 96.1 secs Computing kpt #: 162 total cpu time spent up to now is 96.8 secs Computing kpt #: 163 total cpu time spent up to now is 97.4 secs Computing kpt #: 164 total cpu time spent up to now is 98.0 secs Computing kpt #: 165 total cpu time spent up to now is 98.7 secs Computing kpt #: 166 total cpu time spent up to now is 99.3 secs Computing kpt #: 167 total cpu time spent up to now is 100.0 secs Computing kpt #: 168 total cpu time spent up to now is 100.6 secs Computing kpt #: 169 total cpu time spent up to now is 101.3 secs Computing kpt #: 170 total cpu time spent up to now is 101.9 secs Computing kpt #: 171 total cpu time spent up to now is 102.4 secs Computing kpt #: 172 total cpu time spent up to now is 103.1 secs Computing kpt #: 173 total cpu time spent up to now is 103.7 secs Computing kpt #: 174 total cpu time spent up to now is 104.4 secs Computing kpt #: 175 total cpu time spent up to now is 105.1 secs Computing kpt #: 176 total cpu time spent up to now is 105.7 secs Computing kpt #: 177 total cpu time spent up to now is 106.4 secs Computing kpt #: 178 total cpu time spent up to now is 107.4 secs Computing kpt #: 179 total cpu time spent up to now is 108.1 secs Computing kpt #: 180 total cpu time spent up to now is 108.7 secs Computing kpt #: 181 total cpu time spent up to now is 109.2 secs Computing kpt #: 182 total cpu time spent up to now is 109.8 secs Computing kpt #: 183 total cpu time spent up to now is 110.3 secs Computing kpt #: 184 total cpu time spent up to now is 110.8 secs Computing kpt #: 185 total cpu time spent up to now is 111.3 secs Computing kpt #: 186 total cpu time spent up to now is 111.9 secs Computing kpt #: 187 total cpu time spent up to now is 112.4 secs Computing kpt #: 188 total cpu time spent up to now is 113.0 secs Computing kpt #: 189 total cpu time spent up to now is 113.6 secs Computing kpt #: 190 total cpu time spent up to now is 114.2 secs Computing kpt #: 191 total cpu time spent up to now is 114.8 secs Computing kpt #: 192 total cpu time spent up to now is 115.4 secs Computing kpt #: 193 total cpu time spent up to now is 115.9 secs Computing kpt #: 194 total cpu time spent up to now is 116.5 secs Computing kpt #: 195 total cpu time spent up to now is 117.1 secs Computing kpt #: 196 total cpu time spent up to now is 117.6 secs Computing kpt #: 197 total cpu time spent up to now is 118.2 secs Computing kpt #: 198 total cpu time spent up to now is 118.8 secs Computing kpt #: 199 total cpu time spent up to now is 119.4 secs Computing kpt #: 200 total cpu time spent up to now is 120.1 secs Computing kpt #: 201 total cpu time spent up to now is 120.7 secs Computing kpt #: 202 total cpu time spent up to now is 121.4 secs Computing kpt #: 203 total cpu time spent up to now is 122.0 secs Computing kpt #: 204 total cpu time spent up to now is 122.7 secs Computing kpt #: 205 total cpu time spent up to now is 123.3 secs Computing kpt #: 206 total cpu time spent up to now is 123.9 secs Computing kpt #: 207 total cpu time spent up to now is 124.4 secs Computing kpt #: 208 total cpu time spent up to now is 125.0 secs Computing kpt #: 209 total cpu time spent up to now is 125.5 secs Computing kpt #: 210 total cpu time spent up to now is 126.0 secs Computing kpt #: 211 total cpu time spent up to now is 126.5 secs Computing kpt #: 212 total cpu time spent up to now is 127.1 secs Computing kpt #: 213 total cpu time spent up to now is 127.6 secs Computing kpt #: 214 total cpu time spent up to now is 128.1 secs Computing kpt #: 215 total cpu time spent up to now is 128.7 secs Computing kpt #: 216 total cpu time spent up to now is 129.2 secs Computing kpt #: 217 total cpu time spent up to now is 129.7 secs Computing kpt #: 218 total cpu time spent up to now is 130.3 secs Computing kpt #: 219 total cpu time spent up to now is 130.8 secs Computing kpt #: 220 total cpu time spent up to now is 131.4 secs Computing kpt #: 221 total cpu time spent up to now is 132.0 secs Computing kpt #: 222 total cpu time spent up to now is 132.5 secs Computing kpt #: 223 total cpu time spent up to now is 133.2 secs Computing kpt #: 224 total cpu time spent up to now is 133.8 secs Computing kpt #: 225 total cpu time spent up to now is 134.5 secs Computing kpt #: 226 total cpu time spent up to now is 135.1 secs Computing kpt #: 227 total cpu time spent up to now is 135.8 secs Computing kpt #: 228 total cpu time spent up to now is 136.4 secs Computing kpt #: 229 total cpu time spent up to now is 137.0 secs Computing kpt #: 230 total cpu time spent up to now is 137.7 secs Computing kpt #: 231 total cpu time spent up to now is 138.3 secs Computing kpt #: 232 total cpu time spent up to now is 138.9 secs Computing kpt #: 233 total cpu time spent up to now is 139.5 secs Computing kpt #: 234 total cpu time spent up to now is 140.1 secs Computing kpt #: 235 total cpu time spent up to now is 140.6 secs Computing kpt #: 236 total cpu time spent up to now is 141.1 secs Computing kpt #: 237 total cpu time spent up to now is 141.7 secs Computing kpt #: 238 total cpu time spent up to now is 142.6 secs Computing kpt #: 239 total cpu time spent up to now is 143.1 secs Computing kpt #: 240 total cpu time spent up to now is 143.6 secs Computing kpt #: 241 total cpu time spent up to now is 144.1 secs Computing kpt #: 242 total cpu time spent up to now is 144.7 secs Computing kpt #: 243 total cpu time spent up to now is 145.2 secs Computing kpt #: 244 total cpu time spent up to now is 145.7 secs Computing kpt #: 245 total cpu time spent up to now is 146.2 secs Computing kpt #: 246 total cpu time spent up to now is 146.8 secs Computing kpt #: 247 total cpu time spent up to now is 147.3 secs Computing kpt #: 248 total cpu time spent up to now is 147.8 secs Computing kpt #: 249 total cpu time spent up to now is 148.3 secs Computing kpt #: 250 total cpu time spent up to now is 148.9 secs Computing kpt #: 251 total cpu time spent up to now is 149.5 secs Computing kpt #: 252 total cpu time spent up to now is 150.0 secs Computing kpt #: 253 total cpu time spent up to now is 150.6 secs Computing kpt #: 254 total cpu time spent up to now is 151.1 secs Computing kpt #: 255 total cpu time spent up to now is 151.7 secs Computing kpt #: 256 total cpu time spent up to now is 152.3 secs Computing kpt #: 257 total cpu time spent up to now is 152.8 secs Computing kpt #: 258 total cpu time spent up to now is 153.4 secs Computing kpt #: 259 total cpu time spent up to now is 154.0 secs Computing kpt #: 260 total cpu time spent up to now is 154.6 secs Computing kpt #: 261 total cpu time spent up to now is 155.2 secs Computing kpt #: 262 total cpu time spent up to now is 155.7 secs Computing kpt #: 263 total cpu time spent up to now is 156.3 secs Computing kpt #: 264 total cpu time spent up to now is 156.9 secs Computing kpt #: 265 total cpu time spent up to now is 157.5 secs Computing kpt #: 266 total cpu time spent up to now is 158.0 secs Computing kpt #: 267 total cpu time spent up to now is 158.6 secs Computing kpt #: 268 total cpu time spent up to now is 159.2 secs Computing kpt #: 269 total cpu time spent up to now is 159.7 secs Computing kpt #: 270 total cpu time spent up to now is 160.3 secs Computing kpt #: 271 total cpu time spent up to now is 160.9 secs Computing kpt #: 272 total cpu time spent up to now is 161.5 secs Computing kpt #: 273 total cpu time spent up to now is 162.1 secs Computing kpt #: 274 total cpu time spent up to now is 162.6 secs Computing kpt #: 275 total cpu time spent up to now is 163.2 secs Computing kpt #: 276 total cpu time spent up to now is 163.8 secs Computing kpt #: 277 total cpu time spent up to now is 164.4 secs Computing kpt #: 278 total cpu time spent up to now is 164.9 secs Computing kpt #: 279 total cpu time spent up to now is 165.5 secs Computing kpt #: 280 total cpu time spent up to now is 166.1 secs Computing kpt #: 281 total cpu time spent up to now is 166.7 secs Computing kpt #: 282 total cpu time spent up to now is 167.3 secs Computing kpt #: 283 total cpu time spent up to now is 167.9 secs Computing kpt #: 284 total cpu time spent up to now is 168.4 secs Computing kpt #: 285 total cpu time spent up to now is 169.0 secs Computing kpt #: 286 total cpu time spent up to now is 169.5 secs Computing kpt #: 287 total cpu time spent up to now is 170.1 secs Computing kpt #: 288 total cpu time spent up to now is 170.7 secs Computing kpt #: 289 total cpu time spent up to now is 171.3 secs Computing kpt #: 290 total cpu time spent up to now is 171.8 secs Computing kpt #: 291 total cpu time spent up to now is 172.4 secs Computing kpt #: 292 total cpu time spent up to now is 173.0 secs Computing kpt #: 293 total cpu time spent up to now is 173.5 secs Computing kpt #: 294 total cpu time spent up to now is 174.1 secs Computing kpt #: 295 total cpu time spent up to now is 174.7 secs Computing kpt #: 296 total cpu time spent up to now is 175.3 secs Computing kpt #: 297 total cpu time spent up to now is 175.8 secs Computing kpt #: 298 total cpu time spent up to now is 176.4 secs Computing kpt #: 299 total cpu time spent up to now is 177.6 secs Computing kpt #: 300 total cpu time spent up to now is 178.1 secs Computing kpt #: 301 total cpu time spent up to now is 178.7 secs Computing kpt #: 302 total cpu time spent up to now is 179.3 secs Computing kpt #: 303 total cpu time spent up to now is 179.9 secs Computing kpt #: 304 total cpu time spent up to now is 180.5 secs Computing kpt #: 305 total cpu time spent up to now is 181.1 secs Computing kpt #: 306 total cpu time spent up to now is 181.6 secs Computing kpt #: 307 total cpu time spent up to now is 182.2 secs Computing kpt #: 308 total cpu time spent up to now is 182.8 secs Computing kpt #: 309 total cpu time spent up to now is 183.4 secs Computing kpt #: 310 total cpu time spent up to now is 183.9 secs Computing kpt #: 311 total cpu time spent up to now is 184.6 secs Computing kpt #: 312 total cpu time spent up to now is 185.2 secs Computing kpt #: 313 total cpu time spent up to now is 185.9 secs Computing kpt #: 314 total cpu time spent up to now is 186.5 secs Computing kpt #: 315 total cpu time spent up to now is 187.1 secs Computing kpt #: 316 total cpu time spent up to now is 187.7 secs Computing kpt #: 317 total cpu time spent up to now is 188.2 secs Computing kpt #: 318 total cpu time spent up to now is 188.8 secs Computing kpt #: 319 total cpu time spent up to now is 189.3 secs Computing kpt #: 320 total cpu time spent up to now is 189.9 secs Computing kpt #: 321 total cpu time spent up to now is 190.4 secs Computing kpt #: 322 total cpu time spent up to now is 190.9 secs Computing kpt #: 323 total cpu time spent up to now is 191.4 secs Computing kpt #: 324 total cpu time spent up to now is 191.9 secs Computing kpt #: 325 total cpu time spent up to now is 192.4 secs Computing kpt #: 326 total cpu time spent up to now is 193.0 secs Computing kpt #: 327 total cpu time spent up to now is 193.5 secs Computing kpt #: 328 total cpu time spent up to now is 194.1 secs Computing kpt #: 329 total cpu time spent up to now is 194.6 secs Computing kpt #: 330 total cpu time spent up to now is 195.2 secs Computing kpt #: 331 total cpu time spent up to now is 195.7 secs Computing kpt #: 332 total cpu time spent up to now is 196.2 secs Computing kpt #: 333 total cpu time spent up to now is 196.8 secs Computing kpt #: 334 total cpu time spent up to now is 197.3 secs Computing kpt #: 335 total cpu time spent up to now is 197.8 secs Computing kpt #: 336 total cpu time spent up to now is 198.4 secs Computing kpt #: 337 total cpu time spent up to now is 198.9 secs Computing kpt #: 338 total cpu time spent up to now is 199.4 secs Computing kpt #: 339 total cpu time spent up to now is 200.0 secs Computing kpt #: 340 total cpu time spent up to now is 200.5 secs Computing kpt #: 341 total cpu time spent up to now is 201.1 secs Computing kpt #: 342 total cpu time spent up to now is 201.6 secs Computing kpt #: 343 total cpu time spent up to now is 202.2 secs Computing kpt #: 344 total cpu time spent up to now is 202.7 secs Computing kpt #: 345 total cpu time spent up to now is 203.3 secs Computing kpt #: 346 total cpu time spent up to now is 203.9 secs Computing kpt #: 347 total cpu time spent up to now is 204.4 secs Computing kpt #: 348 total cpu time spent up to now is 205.0 secs Computing kpt #: 349 total cpu time spent up to now is 205.6 secs Computing kpt #: 350 total cpu time spent up to now is 206.1 secs Computing kpt #: 351 total cpu time spent up to now is 206.7 secs Computing kpt #: 352 total cpu time spent up to now is 207.3 secs Computing kpt #: 353 total cpu time spent up to now is 207.9 secs Computing kpt #: 354 total cpu time spent up to now is 208.5 secs Computing kpt #: 355 total cpu time spent up to now is 209.1 secs Computing kpt #: 356 total cpu time spent up to now is 209.6 secs Computing kpt #: 357 total cpu time spent up to now is 210.2 secs Computing kpt #: 358 total cpu time spent up to now is 210.8 secs Computing kpt #: 359 total cpu time spent up to now is 211.4 secs Computing kpt #: 360 total cpu time spent up to now is 211.9 secs Computing kpt #: 361 total cpu time spent up to now is 212.5 secs Computing kpt #: 362 total cpu time spent up to now is 213.1 secs Computing kpt #: 363 total cpu time spent up to now is 213.6 secs Computing kpt #: 364 total cpu time spent up to now is 214.2 secs Computing kpt #: 365 total cpu time spent up to now is 214.8 secs Computing kpt #: 366 total cpu time spent up to now is 215.4 secs Computing kpt #: 367 total cpu time spent up to now is 216.0 secs Computing kpt #: 368 total cpu time spent up to now is 216.5 secs Computing kpt #: 369 total cpu time spent up to now is 217.1 secs Computing kpt #: 370 total cpu time spent up to now is 217.7 secs Computing kpt #: 371 total cpu time spent up to now is 218.3 secs Computing kpt #: 372 total cpu time spent up to now is 218.9 secs Computing kpt #: 373 total cpu time spent up to now is 219.5 secs Computing kpt #: 374 total cpu time spent up to now is 220.1 secs Computing kpt #: 375 total cpu time spent up to now is 220.7 secs Computing kpt #: 376 total cpu time spent up to now is 221.3 secs Computing kpt #: 377 total cpu time spent up to now is 221.9 secs Computing kpt #: 378 total cpu time spent up to now is 222.5 secs Computing kpt #: 379 total cpu time spent up to now is 223.1 secs ethr = 2.38E-08, avg # of iterations = 18.8 total cpu time spent up to now is 223.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3733 PWs) bands (ev): -6.5003 -6.5003 -4.0027 -4.0027 -3.7265 -3.7265 -2.9415 -2.9415 1.0147 1.0147 1.4221 1.4221 2.6001 2.6001 5.9476 5.9476 6.1182 6.1182 7.4026 7.4026 7.6348 7.6348 7.9856 7.9856 8.0291 8.0291 8.6786 8.6786 8.7840 8.7840 9.1739 9.1739 9.3398 9.3398 9.5671 9.5671 9.9681 9.9681 10.3445 10.3445 10.5666 10.5666 10.8355 10.8355 11.5301 11.5301 12.8203 12.8203 13.2170 13.2170 k = 0.0172 0.0047-0.0092 ( 3737 PWs) bands (ev): -6.4994 -6.4994 -4.0048 -4.0048 -3.7266 -3.7266 -2.9425 -2.9425 1.0150 1.0150 1.4276 1.4276 2.6028 2.6028 5.9447 5.9447 6.1174 6.1174 7.3999 7.3999 7.6346 7.6346 7.9831 7.9831 8.0330 8.0330 8.6772 8.6772 8.7838 8.7838 9.1714 9.1714 9.3422 9.3422 9.5604 9.5604 9.9601 9.9601 10.3407 10.3407 10.5682 10.5682 10.8371 10.8371 11.5380 11.5380 12.8118 12.8118 13.2357 13.2357 k = 0.0345 0.0095-0.0185 ( 3741 PWs) bands (ev): -6.4968 -6.4968 -4.0110 -4.0110 -3.7267 -3.7267 -2.9457 -2.9457 1.0158 1.0158 1.4438 1.4438 2.6108 2.6108 5.9360 5.9360 6.1154 6.1154 7.3918 7.3918 7.6341 7.6341 7.9777 7.9777 8.0423 8.0423 8.6729 8.6729 8.7830 8.7830 9.1643 9.1643 9.3487 9.3487 9.5405 9.5405 9.9366 9.9366 10.3302 10.3302 10.5730 10.5730 10.8420 10.8420 11.5608 11.5608 12.7904 12.7904 13.2871 13.2871 k = 0.0517 0.0142-0.0277 ( 3736 PWs) bands (ev): -6.4924 -6.4924 -4.0213 -4.0213 -3.7270 -3.7270 -2.9509 -2.9509 1.0175 1.0175 1.4706 1.4706 2.6242 2.6242 5.9214 5.9214 6.1123 6.1123 7.3788 7.3788 7.6331 7.6331 7.9720 7.9720 8.0534 8.0534 8.6658 8.6658 8.7817 8.7817 9.1539 9.1539 9.3570 9.3570 9.5083 9.5083 9.9001 9.9001 10.3153 10.3153 10.5810 10.5810 10.8496 10.8496 11.5961 11.5961 12.7634 12.7634 13.3621 13.3621 k = 0.0690 0.0190-0.0370 ( 3735 PWs) bands (ev): -6.4863 -6.4863 -4.0354 -4.0354 -3.7277 -3.7277 -2.9579 -2.9579 1.0203 1.0203 1.5074 1.5074 2.6429 2.6429 5.9010 5.9010 6.1084 6.1084 7.3615 7.3615 7.6314 7.6314 7.9668 7.9668 8.0641 8.0641 8.6562 8.6562 8.7797 8.7797 9.1416 9.1416 9.3615 9.3615 9.4679 9.4679 9.8538 9.8538 10.2987 10.2987 10.5921 10.5921 10.8597 10.8597 11.6407 11.6407 12.7360 12.7360 13.4517 13.4517 k = 0.0862 0.0237-0.0462 ( 3739 PWs) bands (ev): -6.4786 -6.4786 -4.0533 -4.0533 -3.7288 -3.7288 -2.9663 -2.9663 1.0243 1.0243 1.5535 1.5535 2.6666 2.6666 5.8748 5.8748 6.1041 6.1041 7.3403 7.3403 7.6289 7.6289 7.9622 7.9622 8.0725 8.0725 8.6439 8.6439 8.7768 8.7768 9.1283 9.1283 9.3450 9.3450 9.4363 9.4363 9.8018 9.8018 10.2822 10.2822 10.6063 10.6063 10.8719 10.8719 11.6912 11.6912 12.7104 12.7104 13.5448 13.5448 k = 0.1034 0.0285-0.0554 ( 3741 PWs) bands (ev): -6.4691 -6.4691 -4.0746 -4.0746 -3.7305 -3.7305 -2.9760 -2.9760 1.0298 1.0298 1.6085 1.6085 2.6954 2.6954 5.8431 5.8431 6.0995 6.0995 7.3156 7.3156 7.6257 7.6257 7.9571 7.9571 8.0775 8.0775 8.6284 8.6284 8.7732 8.7732 9.1145 9.1145 9.2908 9.2908 9.4319 9.4319 9.7478 9.7478 10.2671 10.2671 10.6237 10.6237 10.8863 10.8863 11.7449 11.7449 12.6878 12.6878 13.6179 13.6179 k = 0.1207 0.0332-0.0647 ( 3744 PWs) bands (ev): -6.4580 -6.4580 -4.0991 -4.0991 -3.7328 -3.7328 -2.9867 -2.9867 1.0369 1.0369 1.6716 1.6716 2.7291 2.7291 5.8065 5.8065 6.0948 6.0948 7.2876 7.2876 7.6215 7.6215 7.9503 7.9503 8.0783 8.0783 8.6084 8.6084 8.7689 8.7689 9.0998 9.0998 9.2174 9.2174 9.4402 9.4402 9.6946 9.6946 10.2539 10.2539 10.6443 10.6443 10.9028 10.9028 11.7995 11.7995 12.6680 12.6680 13.6439 13.6439 k = 0.1379 0.0380-0.0739 ( 3746 PWs) bands (ev): -6.4453 -6.4453 -4.1267 -4.1267 -3.7359 -3.7359 -2.9979 -2.9979 1.0456 1.0456 1.7424 1.7424 2.7674 2.7674 5.7655 5.7655 6.0900 6.0900 7.2563 7.2563 7.6167 7.6167 7.9396 7.9396 8.0758 8.0758 8.5807 8.5807 8.7641 8.7641 9.0797 9.0797 9.1452 9.1452 9.4512 9.4512 9.6444 9.6444 10.2426 10.2426 10.6680 10.6680 10.9213 10.9213 11.8532 11.8532 12.6511 12.6511 13.6411 13.6411 k = 0.1552 0.0427-0.0831 ( 3752 PWs) bands (ev): -6.4312 -6.4312 -4.1571 -4.1571 -3.7397 -3.7397 -3.0094 -3.0094 1.0560 1.0560 1.8201 1.8201 2.8102 2.8102 5.7208 5.7208 6.0851 6.0851 7.2212 7.2212 7.6111 7.6111 7.9223 7.9223 8.0716 8.0716 8.5397 8.5397 8.7598 8.7598 9.0366 9.0366 9.1020 9.1020 9.4618 9.4618 9.5987 9.5987 10.2330 10.2330 10.6949 10.6949 10.9419 10.9419 11.9049 11.9049 12.6367 12.6367 13.6312 13.6312 k = 0.1724 0.0475-0.0924 ( 3757 PWs) bands (ev): -6.4155 -6.4155 -4.1900 -4.1900 -3.7442 -3.7442 -3.0209 -3.0209 1.0680 1.0680 1.9042 1.9042 2.8572 2.8572 5.6732 5.6732 6.0803 6.0803 7.1818 7.1818 7.6050 7.6050 7.8959 7.8959 8.0681 8.0681 8.4799 8.4799 8.7570 8.7570 8.9812 8.9812 9.0855 9.0855 9.4704 9.4704 9.5592 9.5592 10.2249 10.2249 10.7248 10.7248 10.9645 10.9645 11.9538 11.9538 12.6247 12.6247 13.6214 13.6214 k = 0.1897 0.0522-0.1016 ( 3759 PWs) bands (ev): -6.3985 -6.3985 -4.2252 -4.2252 -3.7493 -3.7493 -3.0322 -3.0322 1.0815 1.0815 1.9941 1.9941 2.9081 2.9081 5.6234 5.6234 6.0755 6.0755 7.1375 7.1375 7.5983 7.5983 7.8596 7.8596 8.0666 8.0666 8.3987 8.3987 8.7566 8.7566 8.9371 8.9371 9.0759 9.0759 9.4735 9.4735 9.5290 9.5290 10.2178 10.2178 10.7576 10.7576 10.9889 10.9889 11.9998 11.9998 12.6151 12.6151 13.6136 13.6136 k = 0.2069 0.0570-0.1109 ( 3761 PWs) bands (ev): -6.3803 -6.3803 -4.2623 -4.2623 -3.7551 -3.7551 -3.0431 -3.0431 1.0964 1.0964 2.0891 2.0891 2.9628 2.9628 5.5724 5.5724 6.0706 6.0706 7.0873 7.0873 7.5911 7.5911 7.8137 7.8137 8.0671 8.0671 8.3003 8.3003 8.7588 8.7588 8.9071 8.9071 9.0693 9.0693 9.4644 9.4644 9.5147 9.5147 10.2116 10.2116 10.7931 10.7931 11.0148 11.0148 12.0425 12.0425 12.6078 12.6078 13.6081 13.6081 k = 0.2241 0.0617-0.1201 ( 3776 PWs) bands (ev): -6.3609 -6.3609 -4.3012 -4.3012 -3.7612 -3.7612 -3.0534 -3.0534 1.1124 1.1124 2.1885 2.1885 3.0208 3.0208 5.5207 5.5207 6.0658 6.0658 7.0306 7.0306 7.5832 7.5832 7.7593 7.7593 8.0674 8.0674 8.1938 8.1938 8.7630 8.7630 8.8877 8.8877 9.0647 9.0647 9.4453 9.4453 9.5137 9.5137 10.2061 10.2061 10.8309 10.8309 11.0420 11.0420 12.0822 12.0822 12.6031 12.6031 13.6047 13.6047 k = 0.2414 0.0665-0.1293 ( 3777 PWs) bands (ev): -6.3405 -6.3405 -4.3413 -4.3413 -3.7677 -3.7677 -3.0631 -3.0631 1.1295 1.1295 2.2916 2.2916 3.0818 3.0818 5.4695 5.4695 6.0611 6.0611 6.9666 6.9666 7.5737 7.5737 7.6966 7.6966 8.0476 8.0476 8.1070 8.1070 8.7684 8.7684 8.8755 8.8755 9.0618 9.0618 9.4256 9.4256 9.5165 9.5165 10.2010 10.2010 10.8708 10.8708 11.0700 11.0700 12.1187 12.1187 12.6014 12.6014 13.6027 13.6027 k = 0.2586 0.0712-0.1386 ( 3777 PWs) bands (ev): -6.3193 -6.3193 -4.3824 -4.3824 -3.7745 -3.7745 -3.0721 -3.0721 1.1474 1.1474 2.3977 2.3977 3.1454 3.1454 5.4194 5.4194 6.0564 6.0564 6.8951 6.8951 7.5577 7.5577 7.6281 7.6281 7.9623 7.9623 8.0937 8.0937 8.7742 8.7742 8.8679 8.8679 9.0606 9.0606 9.4083 9.4083 9.5196 9.5196 10.1964 10.1964 10.9124 10.9124 11.0984 11.0984 12.1522 12.1522 12.6032 12.6032 13.6014 13.6014 k = 0.2759 0.0760-0.1478 ( 3777 PWs) bands (ev): -6.2973 -6.2973 -4.4239 -4.4239 -3.7813 -3.7813 -3.0804 -3.0804 1.1660 1.1660 2.5060 2.5060 3.2113 3.2113 5.3715 5.3715 6.0518 6.0518 6.8162 6.8162 7.5045 7.5045 7.5814 7.5814 7.8750 7.8750 8.0979 8.0979 8.7799 8.7799 8.8630 8.8630 9.0607 9.0607 9.3939 9.3939 9.5222 9.5222 10.1922 10.1922 10.9551 10.9551 11.1267 11.1267 12.1824 12.1824 12.6094 12.6094 13.5998 13.5998 k = 0.2931 0.0807-0.1570 ( 3783 PWs) bands (ev): -6.2749 -6.2749 -4.4656 -4.4656 -3.7881 -3.7881 -3.0879 -3.0879 1.1848 1.1848 2.6154 2.6154 3.2787 3.2787 5.3267 5.3267 6.0474 6.0474 6.7303 6.7303 7.4045 7.4045 7.5656 7.5656 7.8041 7.8041 8.1044 8.1044 8.7853 8.7853 8.8597 8.8597 9.0622 9.0622 9.3820 9.3820 9.5239 9.5239 10.1884 10.1884 10.9985 10.9985 11.1547 11.1547 12.2090 12.2090 12.6209 12.6209 13.5971 13.5971 k = 0.3103 0.0854-0.1663 ( 3776 PWs) bands (ev): -6.2523 -6.2523 -4.5068 -4.5068 -3.7948 -3.7948 -3.0947 -3.0947 1.2038 1.2038 2.7250 2.7250 3.3473 3.3473 5.2860 5.2860 6.0430 6.0430 6.6381 6.6381 7.2867 7.2867 7.5560 7.5560 7.7496 7.7496 8.1116 8.1116 8.7902 8.7902 8.8573 8.8573 9.0649 9.0649 9.3722 9.3722 9.5250 9.5250 10.1850 10.1850 11.0418 11.0418 11.1818 11.1818 12.2318 12.2318 12.6385 12.6385 13.5923 13.5923 k = 0.3276 0.0902-0.1755 ( 3772 PWs) bands (ev): -6.2297 -6.2297 -4.5472 -4.5472 -3.8012 -3.8012 -3.1008 -3.1008 1.2225 1.2225 2.8336 2.8336 3.4162 3.4162 5.2505 5.2505 6.0388 6.0388 6.5406 6.5406 7.1614 7.1614 7.5477 7.5477 7.7078 7.7078 8.1190 8.1190 8.7947 8.7947 8.8553 8.8553 9.0685 9.0685 9.3642 9.3642 9.5255 9.5255 10.1820 10.1820 11.0844 11.0844 11.2078 11.2078 12.2503 12.2503 12.6632 12.6632 13.5843 13.5843 k = 0.3448 0.0949-0.1848 ( 3773 PWs) bands (ev): -6.2074 -6.2074 -4.5862 -4.5862 -3.8073 -3.8073 -3.1062 -3.1062 1.2407 1.2407 2.9399 2.9399 3.4847 3.4847 5.2215 5.2215 6.0347 6.0347 6.4388 6.4388 7.0348 7.0348 7.5401 7.5401 7.6756 7.6756 8.1262 8.1262 8.7987 8.7987 8.8533 8.8533 9.0729 9.0729 9.3575 9.3575 9.5254 9.5254 10.1794 10.1794 11.1253 11.1253 11.2326 11.2326 12.2646 12.2646 12.6952 12.6952 13.5723 13.5723 k = 0.3621 0.0997-0.1940 ( 3774 PWs) bands (ev): -6.1859 -6.1859 -4.6233 -4.6233 -3.8129 -3.8129 -3.1109 -3.1109 1.2581 1.2581 3.0423 3.0423 3.5518 3.5518 5.2004 5.2004 6.0305 6.0305 6.3336 6.3336 6.9112 6.9112 7.5328 7.5328 7.6505 7.6505 8.1332 8.1332 8.8025 8.8025 8.8512 8.8512 9.0779 9.0779 9.3518 9.3518 9.5249 9.5249 10.1773 10.1773 11.1637 11.1637 11.2561 11.2561 12.2750 12.2750 12.7344 12.7344 13.5554 13.5554 k = 0.3793 0.1044-0.2032 ( 3775 PWs) bands (ev): -6.1654 -6.1654 -4.6579 -4.6579 -3.8181 -3.8181 -3.1150 -3.1150 1.2744 1.2744 3.1392 3.1392 3.6163 3.6163 5.1885 5.1885 6.0256 6.0256 6.2266 6.2266 6.7940 6.7940 7.5260 7.5260 7.6310 7.6310 8.1397 8.1397 8.8059 8.8059 8.8490 8.8490 9.0831 9.0831 9.3467 9.3467 9.5242 9.5242 10.1757 10.1757 11.1985 11.1985 11.2787 11.2787 12.2821 12.2821 12.7802 12.7802 13.5326 13.5326 k = 0.3966 0.1092-0.2125 ( 3770 PWs) bands (ev): -6.1463 -6.1463 -4.6895 -4.6895 -3.8226 -3.8226 -3.1185 -3.1185 1.2892 1.2892 3.2287 3.2287 3.6768 3.6768 5.1874 5.1874 6.0168 6.0168 6.1218 6.1218 6.6862 6.6862 7.5198 7.5198 7.6158 7.6158 8.1456 8.1456 8.8092 8.8092 8.8465 8.8465 9.0885 9.0885 9.3422 9.3422 9.5234 9.5234 10.1744 10.1744 11.2284 11.2284 11.3005 11.3005 12.2865 12.2865 12.8317 12.8317 13.5036 13.5036 k = 0.4138 0.1139-0.2217 ( 3772 PWs) bands (ev): -6.1292 -6.1292 -4.7174 -4.7174 -3.8266 -3.8266 -3.1214 -3.1214 1.3024 1.3024 3.3088 3.3088 3.7318 3.7318 5.1984 5.1984 5.9758 5.9758 6.0486 6.0486 6.5904 6.5904 7.5142 7.5142 7.6042 7.6042 8.1509 8.1509 8.8122 8.8122 8.8440 8.8440 9.0938 9.0938 9.3381 9.3381 9.5225 9.5225 10.1735 10.1735 11.2526 11.2526 11.3216 11.3216 12.2890 12.2890 12.8879 12.8879 13.4680 13.4680 k = 0.4310 0.1187-0.2309 ( 3772 PWs) bands (ev): -6.1144 -6.1144 -4.7412 -4.7412 -3.8299 -3.8299 -3.1238 -3.1238 1.3135 1.3135 3.3777 3.3777 3.7798 3.7798 5.2228 5.2228 5.8785 5.8785 6.0326 6.0326 6.5088 6.5088 7.5094 7.5094 7.5953 7.5953 8.1553 8.1553 8.8151 8.8151 8.8414 8.8414 9.0986 9.0986 9.3346 9.3346 9.5217 9.5217 10.1728 10.1728 11.2712 11.2712 11.3413 11.3413 12.2903 12.2903 12.9477 12.9477 13.4259 13.4259 k = 0.4483 0.1234-0.2402 ( 3775 PWs) bands (ev): -6.1024 -6.1024 -4.7604 -4.7604 -3.8325 -3.8325 -3.1256 -3.1256 1.3225 1.3225 3.4335 3.4335 3.8189 3.8189 5.2611 5.2611 5.7724 5.7724 6.0282 6.0282 6.4434 6.4434 7.5055 7.5055 7.5889 7.5889 8.1588 8.1588 8.8177 8.8177 8.8390 8.8390 9.1027 9.1027 9.3316 9.3316 9.5209 9.5209 10.1724 10.1724 11.2846 11.2846 11.3584 11.3584 12.2908 12.2908 13.0098 13.0098 13.3780 13.3780 k = 0.4655 0.1282-0.2494 ( 3782 PWs) bands (ev): -6.0935 -6.0935 -4.7744 -4.7744 -3.8344 -3.8344 -3.1269 -3.1269 1.3290 1.3290 3.4746 3.4746 3.8480 3.8480 5.3126 5.3126 5.6698 5.6698 6.0261 6.0261 6.3955 6.3955 7.5026 7.5026 7.5845 7.5845 8.1613 8.1613 8.8200 8.8200 8.8367 8.8367 9.1058 9.1058 9.3294 9.3294 9.5204 9.5204 10.1722 10.1722 11.2936 11.2936 11.3716 11.3716 12.2909 12.2909 13.0729 13.0729 13.3252 13.3252 k = 0.4828 0.1329-0.2587 ( 3780 PWs) bands (ev): -6.0881 -6.0881 -4.7830 -4.7830 -3.8356 -3.8356 -3.1276 -3.1276 1.3330 1.3330 3.4998 3.4998 3.8658 3.8658 5.3735 5.3735 5.5773 5.5773 6.0251 6.0251 6.3663 6.3663 7.5009 7.5009 7.5820 7.5820 8.1629 8.1629 8.8217 8.8217 8.8349 8.8349 9.1078 9.1078 9.3280 9.3280 9.5200 9.5200 10.1720 10.1720 11.2988 11.2988 11.3799 11.3799 12.2908 12.2908 13.1346 13.1346 13.2698 13.2698 k = 0.5000 0.1377-0.2679 ( 3774 PWs) bands (ev): -6.0862 -6.0862 -4.7858 -4.7858 -3.8359 -3.8359 -3.1279 -3.1279 1.3343 1.3343 3.5082 3.5082 3.8719 3.8719 5.4155 5.4155 5.5246 5.5246 6.0248 6.0248 6.3565 6.3565 7.5004 7.5004 7.5812 7.5812 8.1634 8.1634 8.8224 8.8224 8.8342 8.8342 9.1085 9.1085 9.3275 9.3275 9.5199 9.5199 10.1720 10.1720 11.3005 11.3005 11.3827 11.3827 12.2908 12.2908 13.1769 13.1769 13.2295 13.2295 k = 0.5000 0.1377-0.2679 ( 3774 PWs) bands (ev): -6.0862 -6.0862 -4.7858 -4.7858 -3.8359 -3.8359 -3.1279 -3.1279 1.3343 1.3343 3.5082 3.5082 3.8719 3.8719 5.4155 5.4155 5.5246 5.5246 6.0248 6.0248 6.3565 6.3565 7.5004 7.5004 7.5812 7.5812 8.1634 8.1634 8.8224 8.8224 8.8342 8.8342 9.1085 9.1085 9.3275 9.3275 9.5199 9.5199 10.1720 10.1720 11.3005 11.3005 11.3827 11.3827 12.2908 12.2908 13.1769 13.1769 13.2295 13.2295 k = 0.5087 0.1401-0.2505 ( 3775 PWs) bands (ev): -6.0854 -6.0854 -4.7851 -4.7851 -3.8422 -3.8422 -3.1239 -3.1239 1.3372 1.3372 3.5068 3.5068 3.8735 3.8735 5.4147 5.4147 5.5203 5.5203 6.0253 6.0253 6.3652 6.3652 7.4991 7.4991 7.5795 7.5795 8.1633 8.1633 8.8116 8.8116 8.8357 8.8357 9.0944 9.0944 9.3376 9.3376 9.5226 9.5226 10.1681 10.1681 11.2969 11.2969 11.3813 11.3813 12.3053 12.3053 13.1838 13.1838 13.2311 13.2311 k = 0.5174 0.1424-0.2331 ( 3777 PWs) bands (ev): -6.0830 -6.0830 -4.7828 -4.7828 -3.8603 -3.8603 -3.1124 -3.1124 1.3459 1.3459 3.5025 3.5025 3.8786 3.8786 5.4113 5.4113 5.5088 5.5088 6.0269 6.0269 6.3906 6.3906 7.4952 7.4952 7.5745 7.5745 8.1628 8.1628 8.7821 8.7821 8.8370 8.8370 9.0603 9.0603 9.3610 9.3610 9.5304 9.5304 10.1565 10.1565 11.2865 11.2865 11.3780 11.3780 12.3469 12.3469 13.2030 13.2030 13.2370 13.2370 k = 0.5260 0.1448-0.2156 ( 3774 PWs) bands (ev): -6.0789 -6.0789 -4.7791 -4.7791 -3.8889 -3.8889 -3.0948 -3.0948 1.3604 1.3604 3.4951 3.4951 3.8872 3.8872 5.4029 5.4029 5.4949 5.4949 6.0300 6.0300 6.4301 6.4301 7.4882 7.4882 7.5663 7.5663 8.1620 8.1620 8.7340 8.7340 8.8377 8.8377 9.0184 9.0184 9.3878 9.3878 9.5422 9.5422 10.1380 10.1380 11.2710 11.2710 11.3741 11.3741 12.4110 12.4110 13.2251 13.2251 13.2558 13.2558 k = 0.5347 0.1472-0.1982 ( 3772 PWs) bands (ev): -6.0733 -6.0733 -4.7739 -4.7739 -3.9263 -3.9263 -3.0729 -3.0729 1.3807 1.3807 3.4842 3.4842 3.8997 3.8997 5.3855 5.3855 5.4846 5.4846 6.0348 6.0348 6.4808 6.4808 7.4773 7.4773 7.5555 7.5555 8.1610 8.1610 8.6683 8.6683 8.8383 8.8383 8.9761 8.9761 9.4127 9.4127 9.5566 9.5566 10.1138 10.1138 11.2532 11.2532 11.3703 11.3703 12.4913 12.4913 13.2379 13.2379 13.2980 13.2980 k = 0.5434 0.1496-0.1808 ( 3774 PWs) bands (ev): -6.0661 -6.0661 -4.7673 -4.7673 -3.9704 -3.9704 -3.0483 -3.0483 1.4067 1.4067 3.4697 3.4697 3.9162 3.9162 5.3584 5.3584 5.4811 5.4811 6.0415 6.0415 6.5397 6.5397 7.4611 7.4611 7.5427 7.5427 8.1596 8.1596 8.5882 8.5882 8.8386 8.8386 8.9358 8.9358 9.4340 9.4340 9.5720 9.5720 10.0853 10.0853 11.2358 11.2358 11.3668 11.3668 12.5816 12.5816 13.2485 13.2485 13.3546 13.3546 k = 0.5521 0.1520-0.1634 ( 3775 PWs) bands (ev): -6.0575 -6.0575 -4.7594 -4.7594 -4.0198 -4.0198 -3.0225 -3.0225 1.4384 1.4384 3.4512 3.4512 3.9366 3.9366 5.3248 5.3248 5.4833 5.4833 6.0500 6.0500 6.6042 6.6042 7.4383 7.4383 7.5287 7.5287 8.1577 8.1577 8.4981 8.4981 8.8386 8.8386 8.8979 8.8979 9.4513 9.4513 9.5873 9.5873 10.0544 10.0544 11.2206 11.2206 11.3633 11.3633 12.6752 12.6752 13.2600 13.2600 13.4197 13.4197 k = 0.5607 0.1544-0.1460 ( 3776 PWs) bands (ev): -6.0474 -6.0474 -4.7501 -4.7501 -4.0728 -4.0728 -2.9969 -2.9969 1.4756 1.4756 3.4290 3.4290 3.9609 3.9609 5.2881 5.2881 5.4892 5.4892 6.0603 6.0603 6.6718 6.6718 7.4080 7.4080 7.5140 7.5140 8.1551 8.1551 8.4025 8.4025 8.8360 8.8360 8.8644 8.8644 9.4648 9.4648 9.6015 9.6015 10.0226 10.0226 11.2087 11.2087 11.3596 11.3596 12.7656 12.7656 13.2730 13.2730 13.4896 13.4896 k = 0.5694 0.1568-0.1286 ( 3774 PWs) bands (ev): -6.0359 -6.0359 -4.7397 -4.7397 -4.1284 -4.1284 -2.9722 -2.9722 1.5183 1.5183 3.4032 3.4032 3.9884 3.9884 5.2508 5.2508 5.4974 5.4974 6.0723 6.0723 6.7396 6.7396 7.3706 7.3706 7.4988 7.4988 8.1505 8.1505 8.3064 8.3064 8.8175 8.8175 8.8483 8.8483 9.4748 9.4748 9.6143 9.6143 9.9917 9.9917 11.2006 11.2006 11.3556 11.3556 12.8462 12.8462 13.2877 13.2877 13.5618 13.5618 k = 0.5781 0.1592-0.1111 ( 3774 PWs) bands (ev): -6.0233 -6.0233 -4.7282 -4.7282 -4.1853 -4.1853 -2.9493 -2.9493 1.5662 1.5662 3.3741 3.3741 4.0184 4.0184 5.2145 5.2145 5.5072 5.5072 6.0861 6.0861 6.8040 6.8040 7.3281 7.3281 7.4827 7.4827 8.1364 8.1364 8.2202 8.2202 8.7859 8.7859 8.8468 8.8468 9.4820 9.4820 9.6255 9.6255 9.9627 9.9627 11.1963 11.1963 11.3513 11.3513 12.9105 12.9105 13.3042 13.3042 13.6349 13.6349 k = 0.5868 0.1615-0.0937 ( 3770 PWs) bands (ev): -6.0095 -6.0095 -4.7160 -4.7160 -4.2427 -4.2427 -2.9286 -2.9286 1.6189 1.6189 3.3425 3.3425 4.0502 4.0502 5.1804 5.1804 5.5179 5.5179 6.1014 6.1014 6.8582 6.8582 7.2866 7.2866 7.4653 7.4653 8.0815 8.0815 8.1771 8.1771 8.7537 8.7537 8.8478 8.8478 9.4873 9.4873 9.6350 9.6350 9.9365 9.9365 11.1955 11.1955 11.3466 11.3466 12.9539 12.9539 13.3224 13.3224 13.7093 13.7093 k = 0.5954 0.1639-0.0763 ( 3769 PWs) bands (ev): -5.9948 -5.9948 -4.7033 -4.7033 -4.2994 -4.2994 -2.9105 -2.9105 1.6759 1.6759 3.3090 3.3090 4.0823 4.0823 5.1495 5.1495 5.5290 5.5290 6.1183 6.1183 6.8898 6.8898 7.2584 7.2584 7.4463 7.4463 7.9969 7.9969 8.1678 8.1678 8.7227 8.7227 8.8497 8.8497 9.4914 9.4914 9.6429 9.6429 9.9135 9.9135 11.1977 11.1977 11.3416 11.3416 12.9747 12.9747 13.3422 13.3422 13.7862 13.7862 k = 0.6041 0.1663-0.0589 ( 3772 PWs) bands (ev): -5.9792 -5.9792 -4.6909 -4.6909 -4.3542 -4.3542 -2.8950 -2.8950 1.7367 1.7367 3.2743 3.2743 4.1134 4.1134 5.1229 5.1229 5.5400 5.5400 6.1366 6.1366 6.8835 6.8835 7.2598 7.2598 7.4254 7.4254 7.9101 7.9101 8.1654 8.1654 8.6932 8.6932 8.8523 8.8523 9.4956 9.4956 9.6491 9.6491 9.8937 9.8937 11.2026 11.2026 11.3363 11.3363 12.9747 12.9747 13.3633 13.3633 13.8655 13.8655 k = 0.6128 0.1687-0.0415 ( 3773 PWs) bands (ev): -5.9632 -5.9632 -4.6800 -4.6800 -4.4053 -4.4053 -2.8824 -2.8824 1.8004 1.8004 3.2396 3.2396 4.1418 4.1418 5.1016 5.1016 5.5500 5.5500 6.1562 6.1562 6.8379 6.8379 7.2938 7.2938 7.4024 7.4024 7.8259 7.8259 8.1653 8.1653 8.6657 8.6657 8.8558 8.8558 9.5007 9.5007 9.6538 9.6538 9.8770 9.8770 11.2094 11.2094 11.3310 11.3310 12.9577 12.9577 13.3854 13.3854 13.9459 13.9459 k = 0.6215 0.1711-0.0240 ( 3775 PWs) bands (ev): -5.9469 -5.9469 -4.6730 -4.6730 -4.4500 -4.4500 -2.8726 -2.8726 1.8657 1.8657 3.2061 3.2061 4.1655 4.1655 5.0867 5.0867 5.5583 5.5583 6.1770 6.1770 6.7673 6.7673 7.3478 7.3478 7.3781 7.3781 7.7455 7.7455 8.1665 8.1665 8.6402 8.6402 8.8601 8.8601 9.5072 9.5072 9.6572 9.6572 9.8632 9.8632 11.2176 11.2176 11.3262 11.3262 12.9281 12.9281 13.4082 13.4082 14.0249 14.0249 k = 0.6301 0.1735-0.0066 ( 3775 PWs) bands (ev): -5.9306 -5.9306 -4.6737 -4.6737 -4.4836 -4.4836 -2.8655 -2.8655 1.9313 1.9313 3.1751 3.1751 4.1826 4.1826 5.0792 5.0792 5.5637 5.5637 6.1989 6.1989 6.6855 6.6855 7.3493 7.3493 7.4136 7.4136 7.6690 7.6690 8.1688 8.1688 8.6168 8.6168 8.8653 8.8653 9.5152 9.5152 9.6596 9.6596 9.8520 9.8520 11.2259 11.2259 11.3225 11.3225 12.8901 12.8901 13.4314 13.4314 14.1003 14.1003 k = 0.6388 0.1759 0.0108 ( 3779 PWs) bands (ev): -5.9148 -5.9148 -4.6865 -4.6865 -4.5014 -4.5014 -2.8610 -2.8610 1.9952 1.9952 3.1484 3.1484 4.1915 4.1915 5.0795 5.0795 5.5650 5.5650 6.2217 6.2217 6.6015 6.6015 7.3203 7.3203 7.4797 7.4797 7.5986 7.5986 8.1720 8.1720 8.5955 8.5955 8.8713 8.8713 9.5246 9.5246 9.6614 9.6614 9.8434 9.8434 11.2331 11.2331 11.3209 11.3209 12.8469 12.8469 13.4548 13.4548 14.1703 14.1703 k = 0.6475 0.1783 0.0282 ( 3773 PWs) bands (ev): -5.8999 -5.8999 -4.7110 -4.7110 -4.5031 -4.5031 -2.8590 -2.8590 2.0548 2.0548 3.1281 3.1281 4.1912 4.1912 5.0873 5.0873 5.5610 5.5610 6.2451 6.2451 6.5216 6.5216 7.2891 7.2891 7.5092 7.5092 7.5706 7.5706 8.1762 8.1762 8.5765 8.5765 8.8782 8.8782 9.5344 9.5344 9.6630 9.6630 9.8376 9.8376 11.2376 11.2376 11.3227 11.3227 12.8012 12.8012 13.4780 13.4780 14.2338 14.2338 k = 0.6562 0.1807 0.0456 ( 3771 PWs) bands (ev): -5.8865 -5.8865 -4.7421 -4.7421 -4.4934 -4.4934 -2.8592 -2.8592 2.1074 2.1074 3.1163 3.1163 4.1816 4.1816 5.1007 5.1007 5.5511 5.5511 6.2689 6.2689 6.4510 6.4510 7.2563 7.2563 7.4540 7.4540 7.6321 7.6321 8.1811 8.1811 8.5595 8.5595 8.8857 8.8857 9.5434 9.5434 9.6649 9.6649 9.8353 9.8353 11.2382 11.2382 11.3286 11.3286 12.7552 12.7552 13.5007 13.5007 14.2903 14.2903 k = 0.6648 0.1830 0.0630 ( 3772 PWs) bands (ev): -5.8751 -5.8751 -4.7743 -4.7743 -4.4771 -4.4771 -2.8615 -2.8615 2.1500 2.1500 3.1148 3.1148 4.1638 4.1638 5.1156 5.1156 5.5365 5.5365 6.2924 6.2924 6.3939 6.3939 7.2220 7.2220 7.3955 7.3955 7.7015 7.7015 8.1866 8.1866 8.5448 8.5448 8.8938 8.8938 9.5499 9.5499 9.6672 9.6672 9.8373 9.8373 11.2350 11.2350 11.3381 11.3381 12.7107 12.7107 13.5225 13.5225 14.3399 14.3399 k = 0.6648 0.1830 0.0630 ( 3772 PWs) bands (ev): -5.8751 -5.8751 -4.7743 -4.7743 -4.4771 -4.4771 -2.8615 -2.8615 2.1500 2.1500 3.1148 3.1148 4.1638 4.1638 5.1156 5.1156 5.5365 5.5365 6.2924 6.2924 6.3939 6.3939 7.2220 7.2220 7.3955 7.3955 7.7015 7.7015 8.1866 8.1866 8.5448 8.5448 8.8938 8.8938 9.5499 9.5499 9.6672 9.6672 9.8373 9.8373 11.2350 11.2350 11.3381 11.3381 12.7107 12.7107 13.5225 13.5225 14.3399 14.3399 k = 0.6545 0.1802 0.0798 ( 3772 PWs) bands (ev): -5.8695 -5.8695 -4.7986 -4.7986 -4.4545 -4.4545 -2.8707 -2.8707 2.1414 2.1414 3.1401 3.1401 4.1607 4.1607 5.1411 5.1411 5.5835 5.5835 6.2978 6.2978 6.3490 6.3490 7.2216 7.2216 7.3710 7.3710 7.6670 7.6670 8.2063 8.2063 8.4852 8.4852 8.8940 8.8940 9.5520 9.5520 9.6694 9.6694 9.8246 9.8246 11.2550 11.2550 11.3433 11.3433 12.6845 12.6845 13.5317 13.5317 14.3572 14.3572 k = 0.6442 0.1774 0.0965 ( 3768 PWs) bands (ev): -5.8657 -5.8657 -4.8216 -4.8216 -4.4283 -4.4283 -2.8821 -2.8821 2.1319 2.1319 3.1590 3.1590 4.1601 4.1601 5.1602 5.1602 5.6404 5.6404 6.2811 6.2811 6.3235 6.3235 7.2213 7.2213 7.3535 7.3535 7.6376 7.6376 8.2244 8.2244 8.4282 8.4282 8.8946 8.8946 9.5457 9.5457 9.6647 9.6647 9.8267 9.8267 11.2671 11.2671 11.3507 11.3507 12.6578 12.6578 13.5412 13.5412 14.3767 14.3767 k = 0.6339 0.1745 0.1133 ( 3773 PWs) bands (ev): -5.8635 -5.8635 -4.8434 -4.8434 -4.3991 -4.3991 -2.8956 -2.8956 2.1225 2.1225 3.1697 3.1697 4.1655 4.1655 5.1750 5.1750 5.7010 5.7010 6.2342 6.2342 6.3262 6.3262 7.2206 7.2206 7.3427 7.3427 7.6156 7.6156 8.2368 8.2368 8.3777 8.3777 8.8954 8.8954 9.5325 9.5325 9.6474 9.6474 9.8475 9.8475 11.2703 11.2703 11.3615 11.3615 12.6310 12.6310 13.5518 13.5518 14.3972 14.3972 k = 0.6236 0.1717 0.1300 ( 3778 PWs) bands (ev): -5.8627 -5.8627 -4.8637 -4.8637 -4.3673 -4.3673 -2.9112 -2.9112 2.1139 2.1139 3.1709 3.1709 4.1795 4.1795 5.1868 5.1868 5.7599 5.7599 6.1819 6.1819 6.3330 6.3330 7.2187 7.2187 7.3376 7.3376 7.6036 7.6036 8.2325 8.2325 8.3449 8.3449 8.8962 8.8962 9.5133 9.5133 9.6198 9.6198 9.8829 9.8829 11.2657 11.2657 11.3749 11.3749 12.6045 12.6045 13.5644 13.5644 14.4175 14.4175 k = 0.6133 0.1689 0.1468 ( 3783 PWs) bands (ev): -5.8630 -5.8630 -4.8826 -4.8826 -4.3335 -4.3335 -2.9285 -2.9285 2.1068 2.1068 3.1625 3.1625 4.2038 4.2038 5.1962 5.1962 5.8109 5.8109 6.1315 6.1315 6.3402 6.3402 7.2140 7.2140 7.3377 7.3377 7.6044 7.6044 8.2008 8.2008 8.3406 8.3406 8.8969 8.8969 9.4885 9.4885 9.5872 9.5872 9.9272 9.9272 11.2555 11.2555 11.3892 11.3892 12.5789 12.5789 13.5795 13.5795 14.4362 14.4362 k = 0.6030 0.1660 0.1635 ( 3783 PWs) bands (ev): -5.8642 -5.8642 -4.9000 -4.9000 -4.2983 -4.2983 -2.9475 -2.9475 2.1014 2.1014 3.1453 3.1453 4.2386 4.2386 5.2030 5.2030 5.8451 5.8451 6.0910 6.0910 6.3471 6.3471 7.2048 7.2048 7.3432 7.3432 7.6194 7.6194 8.1533 8.1533 8.3532 8.3532 8.8974 8.8974 9.4573 9.4573 9.5537 9.5537 9.9765 9.9765 11.2412 11.2412 11.4031 11.4031 12.5545 12.5545 13.5973 13.5973 14.4519 14.4519 k = 0.5927 0.1632 0.1802 ( 3783 PWs) bands (ev): -5.8660 -5.8660 -4.9159 -4.9159 -4.2625 -4.2625 -2.9678 -2.9678 2.0981 2.0981 3.1208 3.1208 4.2832 4.2832 5.2070 5.2070 5.8490 5.8490 6.0738 6.0738 6.3536 6.3536 7.1902 7.1902 7.3547 7.3547 7.6482 7.6482 8.1014 8.1014 8.3712 8.3712 8.8974 8.8974 9.4189 9.4189 9.5225 9.5225 10.0282 10.0282 11.2241 11.2241 11.4161 11.4161 12.5319 12.5319 13.6180 13.6180 14.4631 14.4631 k = 0.5824 0.1604 0.1970 ( 3781 PWs) bands (ev): -5.8682 -5.8682 -4.9301 -4.9301 -4.2267 -4.2267 -2.9889 -2.9889 2.0969 2.0969 3.0912 3.0912 4.3365 4.3365 5.2075 5.2075 5.8191 5.8191 6.0841 6.0841 6.3594 6.3594 7.1711 7.1711 7.3716 7.3716 7.6883 7.6883 8.0495 8.0495 8.3908 8.3908 8.8966 8.8966 9.3739 9.3739 9.4948 9.4948 10.0803 10.0803 11.2051 11.2051 11.4277 11.4277 12.5114 12.5114 13.6414 13.6414 14.4687 14.4687 k = 0.5721 0.1575 0.2137 ( 3790 PWs) bands (ev): -5.8706 -5.8706 -4.9428 -4.9428 -4.1918 -4.1918 -3.0104 -3.0104 2.0976 2.0976 3.0587 3.0587 4.3968 4.3968 5.2035 5.2035 5.7697 5.7697 6.1091 6.1091 6.3646 6.3646 7.1493 7.1493 7.3933 7.3933 7.7360 7.7360 8.0003 8.0003 8.4103 8.4103 8.8945 8.8945 9.3243 9.3243 9.4704 9.4704 10.1314 10.1314 11.1849 11.1849 11.4379 11.4379 12.4933 12.4933 13.6670 13.6670 14.4679 14.4679 k = 0.5618 0.1547 0.2305 ( 3792 PWs) bands (ev): -5.8730 -5.8730 -4.9538 -4.9538 -4.1585 -4.1585 -3.0315 -3.0315 2.1001 2.1001 3.0253 3.0253 4.4625 4.4625 5.1938 5.1938 5.7143 5.7143 6.1376 6.1376 6.3691 6.3691 7.1266 7.1266 7.4190 7.4190 7.7834 7.7834 7.9590 7.9590 8.4289 8.4289 8.8908 8.8908 9.2729 9.2729 9.4490 9.4490 10.1799 10.1799 11.1645 11.1645 11.4468 11.4468 12.4778 12.4778 13.6942 13.6942 14.4604 14.4604 k = 0.5515 0.1518 0.2472 ( 3788 PWs) bands (ev): -5.8753 -5.8753 -4.9632 -4.9632 -4.1280 -4.1280 -3.0515 -3.0515 2.1039 2.1039 2.9931 2.9931 4.5322 4.5322 5.1766 5.1766 5.6603 5.6603 6.1646 6.1646 6.3730 6.3730 7.1048 7.1048 7.4479 7.4479 7.8109 7.8109 7.9421 7.9421 8.4461 8.4461 8.8849 8.8849 9.2223 9.2223 9.4303 9.4303 10.2244 10.2244 11.1447 11.1447 11.4541 11.4541 12.4649 12.4649 13.7221 13.7221 14.4470 14.4470 k = 0.5412 0.1490 0.2640 ( 3792 PWs) bands (ev): -5.8774 -5.8774 -4.9709 -4.9709 -4.1010 -4.1010 -3.0697 -3.0697 2.1083 2.1083 2.9639 2.9639 4.6042 4.6042 5.1505 5.1505 5.6125 5.6125 6.1881 6.1881 6.3761 6.3761 7.0851 7.0851 7.4797 7.4797 7.7961 7.7961 7.9681 7.9681 8.4613 8.4613 8.8761 8.8761 9.1759 9.1759 9.4145 9.4145 10.2635 10.2635 11.1264 11.1264 11.4601 11.4601 12.4546 12.4546 13.7493 13.7493 14.4297 14.4297 k = 0.5309 0.1462 0.2807 ( 3789 PWs) bands (ev): -5.8791 -5.8791 -4.9769 -4.9769 -4.0787 -4.0787 -3.0851 -3.0851 2.1128 2.1128 2.9393 2.9393 4.6764 4.6764 5.1148 5.1148 5.5741 5.5741 6.2073 6.2073 6.3784 6.3784 7.0686 7.0686 7.5140 7.5140 7.7592 7.7592 8.0130 8.0130 8.4740 8.4740 8.8644 8.8644 9.1370 9.1370 9.4018 9.4018 10.2959 10.2959 11.1107 11.1107 11.4648 11.4648 12.4467 12.4467 13.7743 13.7743 14.4109 14.4109 k = 0.5206 0.1433 0.2975 ( 3794 PWs) bands (ev): -5.8804 -5.8804 -4.9812 -4.9812 -4.0619 -4.0619 -3.0968 -3.0968 2.1167 2.1167 2.9206 2.9206 4.7457 4.7457 5.0713 5.0713 5.5469 5.5469 6.2213 6.2213 6.3801 6.3801 7.0561 7.0561 7.5505 7.5505 7.7170 7.7170 8.0548 8.0548 8.4838 8.4838 8.8512 8.8512 9.1082 9.1082 9.3924 9.3924 10.3202 10.3202 11.0985 11.0985 11.4680 11.4680 12.4413 12.4413 13.7946 13.7946 14.3939 14.3939 k = 0.5103 0.1405 0.3142 ( 3790 PWs) bands (ev): -5.8812 -5.8812 -4.9838 -4.9838 -4.0515 -4.0515 -3.1042 -3.1042 2.1193 2.1193 2.9089 2.9089 4.8047 4.8047 5.0275 5.0275 5.5309 5.5309 6.2300 6.2300 6.3811 6.3811 7.0484 7.0484 7.5886 7.5886 7.6747 7.6747 8.0838 8.0838 8.4902 8.4902 8.8403 8.8403 9.0910 9.0910 9.3867 9.3867 10.3353 10.3353 11.0907 11.0907 11.4700 11.4700 12.4380 12.4380 13.8082 13.8082 14.3819 14.3819 k = 0.5000 0.1377 0.3309 ( 3790 PWs) bands (ev): -5.8814 -5.8814 -4.9846 -4.9846 -4.0479 -4.0479 -3.1067 -3.1067 2.1202 2.1202 2.9049 2.9049 4.8320 4.8320 5.0051 5.0051 5.5256 5.5256 6.2329 6.2329 6.3814 6.3814 7.0457 7.0457 7.6193 7.6193 7.6426 7.6426 8.0941 8.0941 8.4924 8.4924 8.8360 8.8360 9.0853 9.0853 9.3847 9.3847 10.3404 10.3404 11.0881 11.0881 11.4707 11.4707 12.4370 12.4370 13.8130 13.8130 14.3776 14.3776 k = 0.5000 0.1377 0.3309 ( 3790 PWs) bands (ev): -5.8814 -5.8814 -4.9846 -4.9846 -4.0479 -4.0479 -3.1067 -3.1067 2.1202 2.1202 2.9049 2.9049 4.8320 4.8320 5.0051 5.0051 5.5256 5.5256 6.2329 6.2329 6.3814 6.3814 7.0457 7.0457 7.6193 7.6193 7.6426 7.6426 8.0941 8.0941 8.4924 8.4924 8.8360 8.8360 9.0853 9.0853 9.3847 9.3847 10.3404 10.3404 11.0881 11.0881 11.4707 11.4707 12.4370 12.4370 13.8130 13.8130 14.3776 14.3776 k = 0.5054 0.1180 0.3309 ( 3794 PWs) bands (ev): -5.8803 -5.8803 -4.9836 -4.9836 -4.0472 -4.0472 -3.1060 -3.1060 2.1208 2.1208 2.9053 2.9053 4.8327 4.8327 5.0054 5.0054 5.5217 5.5217 6.1816 6.1816 6.4244 6.4244 7.0441 7.0441 7.6071 7.6071 7.6362 7.6362 8.1030 8.1030 8.4848 8.4848 8.8455 8.8455 9.0879 9.0879 9.3832 9.3832 10.3489 10.3489 11.0894 11.0894 11.4632 11.4632 12.4414 12.4414 13.8167 13.8167 14.3841 14.3841 k = 0.5108 0.0984 0.3309 ( 3794 PWs) bands (ev): -5.8768 -5.8768 -4.9804 -4.9804 -4.0450 -4.0450 -3.1037 -3.1037 2.1228 2.1228 2.9063 2.9063 4.8350 4.8350 5.0061 5.0061 5.5100 5.5100 6.0854 6.0854 6.4954 6.4954 7.0392 7.0392 7.5763 7.5763 7.6155 7.6155 8.1276 8.1276 8.4627 8.4627 8.8723 8.8723 9.0958 9.0958 9.3789 9.3789 10.3740 10.3740 11.0934 11.0934 11.4414 11.4414 12.4546 12.4546 13.8277 13.8277 14.4031 14.4031 k = 0.5162 0.0788 0.3309 ( 3790 PWs) bands (ev): -5.8710 -5.8710 -4.9751 -4.9751 -4.0412 -4.0412 -3.1000 -3.1000 2.1261 2.1261 2.9080 2.9080 4.8386 4.8386 5.0071 5.0071 5.4903 5.4903 5.9758 5.9758 6.5633 6.5633 7.0307 7.0307 7.5342 7.5342 7.5821 7.5821 8.1627 8.1627 8.4283 8.4283 8.9118 8.9118 9.1091 9.1091 9.3722 9.3722 10.4144 10.4144 11.0994 11.0994 11.4067 11.4067 12.4764 12.4764 13.8458 13.8458 14.4338 14.4338 k = 0.5216 0.0591 0.3309 ( 3790 PWs) bands (ev): -5.8629 -5.8629 -4.9676 -4.9676 -4.0360 -4.0360 -3.0949 -3.0949 2.1307 2.1307 2.9102 2.9102 4.8435 4.8435 5.0081 5.0081 5.4625 5.4625 5.8590 5.8590 6.6218 6.6218 7.0181 7.0181 7.4858 7.4858 7.5420 7.5420 8.2020 8.2020 8.3855 8.3855 8.9574 8.9574 9.1289 9.1289 9.3637 9.3637 10.4679 10.4679 11.1069 11.1069 11.3614 11.3614 12.5065 12.5065 13.8702 13.8702 14.4746 14.4746 k = 0.5270 0.0395 0.3309 ( 3792 PWs) bands (ev): -5.8525 -5.8525 -4.9581 -4.9581 -4.0294 -4.0294 -3.0883 -3.0883 2.1365 2.1365 2.9129 2.9129 4.8493 4.8493 5.0084 5.0084 5.4263 5.4263 5.7377 5.7377 6.6680 6.6680 7.0005 7.0005 7.4342 7.4342 7.5018 7.5018 8.2345 8.2345 8.3444 8.3444 9.0013 9.0013 9.1580 9.1580 9.3540 9.3540 10.5314 10.5314 11.1149 11.1149 11.3093 11.3093 12.5442 12.5442 13.9005 13.9005 14.5228 14.5228 k = 0.5324 0.0199 0.3309 ( 3792 PWs) bands (ev): -5.8398 -5.8398 -4.9465 -4.9465 -4.0213 -4.0213 -3.0802 -3.0802 2.1434 2.1434 2.9159 2.9159 4.8554 4.8554 5.0067 5.0067 5.3818 5.3818 5.6147 5.6147 6.6998 6.6998 6.9774 6.9774 7.3820 7.3820 7.4675 7.4675 8.2270 8.2270 8.3386 8.3386 9.0367 9.0367 9.1988 9.1988 9.3438 9.3438 10.5999 10.5999 11.1223 11.1223 11.2556 11.2556 12.5889 12.5889 13.9357 13.9357 14.5738 14.5738 k = 0.5378 0.0003 0.3309 ( 3790 PWs) bands (ev): -5.8248 -5.8248 -4.9328 -4.9328 -4.0117 -4.0117 -3.0709 -3.0709 2.1515 2.1515 2.9190 2.9190 4.8609 4.8609 5.0008 5.0008 5.3293 5.3293 5.4941 5.4941 6.7154 6.7154 6.9478 6.9478 7.3316 7.3316 7.4431 7.4431 8.1772 8.1772 8.3715 8.3715 9.0620 9.0620 9.2490 9.2490 9.3346 9.3346 10.6652 10.6652 11.1272 11.1272 11.2097 11.2097 12.6393 12.6393 13.9745 13.9745 14.6194 14.6194 k = 0.5432-0.0194 0.3309 ( 3790 PWs) bands (ev): -5.8076 -5.8076 -4.9170 -4.9170 -4.0008 -4.0008 -3.0601 -3.0601 2.1606 2.1606 2.9219 2.9219 4.8635 4.8635 4.9858 4.9858 5.2698 5.2698 5.3829 5.3829 6.7140 6.7140 6.9114 6.9114 7.2848 7.2848 7.4308 7.4308 8.1170 8.1170 8.4129 8.4129 9.0797 9.0797 9.2959 9.2959 9.3345 9.3345 10.7129 10.7129 11.1294 11.1294 11.1851 11.1851 12.6942 12.6942 14.0150 14.0150 14.6439 14.6439 k = 0.5486-0.0390 0.3309 ( 3786 PWs) bands (ev): -5.7881 -5.7881 -4.8993 -4.8993 -3.9886 -3.9886 -3.0482 -3.0482 2.1706 2.1706 2.9243 2.9243 4.8582 4.8582 4.9534 4.9534 5.2063 5.2063 5.2923 5.2923 6.6961 6.6961 6.8680 6.8680 7.2424 7.2424 7.4306 7.4306 8.0565 8.0565 8.4547 8.4547 9.0927 9.0927 9.3030 9.3030 9.3764 9.3764 10.7250 10.7250 11.1373 11.1373 11.1906 11.1906 12.7516 12.7516 14.0537 14.0537 14.6259 14.6259 k = 0.5540-0.0586 0.3309 ( 3782 PWs) bands (ev): -5.7664 -5.7664 -4.8795 -4.8795 -3.9750 -3.9750 -3.0350 -3.0350 2.1814 2.1814 2.9258 2.9258 4.8301 4.8301 4.9011 4.9011 5.1478 5.1478 5.2325 5.2325 6.6641 6.6641 6.8177 6.8177 7.2046 7.2046 7.4410 7.4410 7.9995 7.9995 8.4947 8.4947 9.1028 9.1028 9.2955 9.2955 9.4324 9.4324 10.6965 10.6965 11.1464 11.1464 11.2344 11.2344 12.8091 12.8091 14.0844 14.0844 14.5657 14.5657 k = 0.5594-0.0783 0.3309 ( 3776 PWs) bands (ev): -5.7424 -5.7424 -4.8579 -4.8579 -3.9602 -3.9602 -3.0206 -3.0206 2.1929 2.1929 2.9259 2.9259 4.7547 4.7547 4.8449 4.8449 5.1061 5.1061 5.2018 5.2018 6.6206 6.6206 6.7607 6.7607 7.1712 7.1712 7.4595 7.4595 7.9484 7.9484 8.5320 8.5320 9.1108 9.1108 9.2872 9.2872 9.4874 9.4874 10.6403 10.6403 11.1481 11.1481 11.3107 11.3107 12.8638 12.8638 14.0963 14.0963 14.4934 14.4934 k = 0.5649-0.0979 0.3309 ( 3780 PWs) bands (ev): -5.7163 -5.7163 -4.8343 -4.8343 -3.9441 -3.9441 -3.0052 -3.0052 2.2049 2.2049 2.9238 2.9238 4.6457 4.6457 4.7771 4.7771 5.0867 5.0867 5.1908 5.1908 6.5684 6.5684 6.6972 6.6972 7.1422 7.1422 7.4839 7.4839 7.9046 7.9046 8.5659 8.5659 9.1175 9.1175 9.2798 9.2798 9.5393 9.5393 10.5703 10.5703 11.1446 11.1446 11.4020 11.4020 12.9119 12.9119 14.0754 14.0754 14.4297 14.4297 k = 0.5703-0.1175 0.3309 ( 3768 PWs) bands (ev): -5.6880 -5.6880 -4.8088 -4.8088 -3.9269 -3.9269 -2.9888 -2.9888 2.2171 2.2171 2.9187 2.9187 4.5254 4.5254 4.6901 4.6901 5.0857 5.0857 5.1907 5.1907 6.5098 6.5098 6.6274 6.6274 7.1180 7.1180 7.5120 7.5120 7.8689 7.8689 8.5959 8.5959 9.1231 9.1231 9.2739 9.2739 9.5874 9.5874 10.4943 10.4943 11.1369 11.1369 11.4980 11.4980 12.9489 12.9489 14.0171 14.0171 14.3712 14.3712 k = 0.5757-0.1371 0.3309 ( 3764 PWs) bands (ev): -5.6575 -5.6575 -4.7816 -4.7816 -3.9085 -3.9085 -2.9715 -2.9715 2.2295 2.2295 2.9096 2.9096 4.4031 4.4031 4.5886 4.5886 5.0964 5.0964 5.1968 5.1968 6.4467 6.4467 6.5516 6.5516 7.0987 7.0987 7.5425 7.5425 7.8411 7.8411 8.6213 8.6213 9.1279 9.1279 9.2700 9.2700 9.6314 9.6314 10.4167 10.4167 11.1248 11.1248 11.5927 11.5927 12.9701 12.9701 13.9324 13.9324 14.3149 14.3149 k = 0.5811-0.1568 0.3309 ( 3762 PWs) bands (ev): -5.6249 -5.6249 -4.7526 -4.7526 -3.8891 -3.8891 -2.9534 -2.9534 2.2417 2.2417 2.8953 2.8953 4.2833 4.2833 4.4778 4.4778 5.1141 5.1141 5.2065 5.2065 6.3804 6.3804 6.4707 6.4707 7.0844 7.0844 7.5743 7.5743 7.8210 7.8210 8.6414 8.6414 9.1322 9.1322 9.2684 9.2684 9.6711 9.6711 10.3401 10.3401 11.1081 11.1081 11.6821 11.6821 12.9709 12.9709 13.8348 13.8348 14.2727 14.2727 k = 0.5865-0.1764 0.3309 ( 3762 PWs) bands (ev): -5.5903 -5.5903 -4.7220 -4.7220 -3.8687 -3.8687 -2.9346 -2.9346 2.2534 2.2534 2.8741 2.8741 4.1694 4.1694 4.3609 4.3609 5.1361 5.1361 5.2184 5.2184 6.3121 6.3121 6.3860 6.3860 7.0752 7.0752 7.6065 7.6065 7.8078 7.8078 8.6557 8.6557 9.1360 9.1360 9.2695 9.2695 9.7065 9.7065 10.2661 10.2661 11.0867 11.0867 11.7629 11.7629 12.9489 12.9489 13.7327 13.7327 14.2498 14.2498 k = 0.5919-0.1960 0.3309 ( 3762 PWs) bands (ev): -5.5537 -5.5537 -4.6897 -4.6897 -3.8473 -3.8473 -2.9153 -2.9153 2.2644 2.2644 2.8445 2.8445 4.0640 4.0640 4.2402 4.2402 5.1610 5.1610 5.2316 5.2316 6.2427 6.2427 6.2990 6.2990 7.0708 7.0708 7.6386 7.6386 7.8006 7.8006 8.6637 8.6637 9.1394 9.1394 9.2734 9.2734 9.7376 9.7376 10.1960 10.1960 11.0603 11.0603 11.8322 11.8322 12.9041 12.9041 13.6310 13.6310 14.1917 14.1917 k = 0.5973-0.2157 0.3309 ( 3756 PWs) bands (ev): -5.5150 -5.5150 -4.6560 -4.6560 -3.8251 -3.8251 -2.8956 -2.8956 2.2742 2.2742 2.8051 2.8051 3.9691 3.9691 4.1174 4.1174 5.1879 5.1879 5.2456 5.2456 6.1725 6.1725 6.2121 6.2121 7.0708 7.0708 7.6700 7.6700 7.7987 7.7987 8.6650 8.6650 9.1424 9.1424 9.2802 9.2802 9.7644 9.7644 10.1309 10.1309 11.0286 11.0286 11.8874 11.8874 12.8394 12.8394 13.5323 13.5323 14.1116 14.1116 k = 0.6027-0.2353 0.3309 ( 3764 PWs) bands (ev): -5.4744 -5.4744 -4.6210 -4.6210 -3.8021 -3.8021 -2.8757 -2.8757 2.2824 2.2824 2.7545 2.7545 3.8861 3.8861 3.9939 3.9939 5.2161 5.2161 5.2596 5.2596 6.1002 6.1002 6.1292 6.1292 7.0747 7.0747 7.7000 7.7000 7.8015 7.8015 8.6597 8.6597 9.1449 9.1449 9.2895 9.2895 9.7866 9.7866 10.0720 10.0720 10.9915 10.9915 11.9261 11.9261 12.7592 12.7592 13.4383 13.4383 14.0340 14.0340 k = 0.6081-0.2549 0.3309 ( 3766 PWs) bands (ev): -5.4319 -5.4319 -4.5847 -4.5847 -3.7784 -3.7784 -2.8557 -2.8557 2.2884 2.2884 2.6925 2.6925 3.8156 3.8156 3.8710 3.8710 5.2448 5.2448 5.2733 5.2733 6.0233 6.0233 6.0554 6.0554 7.0820 7.0820 7.7281 7.7281 7.8087 7.8087 8.6478 8.6478 9.1468 9.1468 9.3007 9.3007 9.8040 9.8040 10.0206 10.0206 10.9489 10.9489 11.9467 11.9467 12.6678 12.6678 13.3493 13.3493 13.9644 13.9644 k = 0.6135-0.2745 0.3309 ( 3778 PWs) bands (ev): -5.3875 -5.3875 -4.5473 -4.5473 -3.7540 -3.7540 -2.8358 -2.8358 2.2917 2.2917 2.6194 2.6194 3.7453 3.7453 3.7620 3.7620 5.2730 5.2730 5.2861 5.2861 5.9449 5.9449 5.9906 5.9906 7.0924 7.0924 7.7532 7.7532 7.8203 7.8203 8.6297 8.6297 9.1480 9.1480 9.3129 9.3129 9.8153 9.8153 9.9786 9.9786 10.9009 10.9009 11.9482 11.9482 12.5690 12.5690 13.2651 13.2651 13.9073 13.9073 k = 0.6189-0.2942 0.3309 ( 3776 PWs) bands (ev): -5.3414 -5.3414 -4.5090 -4.5090 -3.7289 -3.7289 -2.8161 -2.8161 2.2915 2.2915 2.5368 2.5368 3.6290 3.6290 3.7126 3.7126 5.2944 5.2944 5.3023 5.3023 5.8709 5.8709 5.9325 5.9325 7.1052 7.1052 7.7748 7.7748 7.8359 7.8359 8.6061 8.6061 9.1485 9.1485 9.3250 9.3250 9.8193 9.8193 9.9484 9.9484 10.8475 10.8475 11.9309 11.9309 12.4660 12.4660 13.1847 13.1847 13.8656 13.8656 k = 0.6243-0.3138 0.3309 ( 3774 PWs) bands (ev): -5.2936 -5.2936 -4.4699 -4.4699 -3.7034 -3.7034 -2.7970 -2.7970 2.2870 2.2870 2.4467 2.4467 3.5139 3.5139 3.6748 3.6748 5.3028 5.3028 5.3254 5.3254 5.8051 5.8051 5.8810 5.8810 7.1202 7.1202 7.7930 7.7930 7.8546 7.8546 8.5774 8.5774 9.1482 9.1482 9.3357 9.3357 9.8157 9.8157 9.9310 9.9310 10.7891 10.7891 11.8964 11.8964 12.3610 12.3610 13.1072 13.1072 13.8406 13.8406 k = 0.6297-0.3334 0.3309 ( 3774 PWs) bands (ev): -5.2441 -5.2441 -4.4303 -4.4303 -3.6773 -3.6773 -2.7786 -2.7786 2.2764 2.2764 2.3520 2.3520 3.4035 3.4035 3.6443 3.6443 5.3063 5.3063 5.3439 5.3439 5.7514 5.7514 5.8372 5.8372 7.1370 7.1370 7.8086 7.8086 7.8747 7.8747 8.5444 8.5444 9.1471 9.1471 9.3438 9.3438 9.8074 9.8074 9.9239 9.9239 10.7261 10.7261 11.8471 11.8471 12.2557 12.2557 13.0318 13.0318 13.8320 13.8320 k = 0.6351-0.3531 0.3309 ( 3772 PWs) bands (ev): -5.1930 -5.1930 -4.3905 -4.3905 -3.6506 -3.6506 -2.7611 -2.7611 2.2402 2.2402 2.2734 2.2734 3.2990 3.2990 3.6188 3.6188 5.3044 5.3044 5.3542 5.3542 5.7135 5.7135 5.8021 5.8021 7.1551 7.1551 7.8225 7.8225 7.8944 7.8944 8.5078 8.5078 9.1452 9.1452 9.3482 9.3482 9.7996 9.7996 9.9226 9.9226 10.6592 10.6592 11.7861 11.7861 12.1513 12.1513 12.9585 12.9585 13.8379 13.8379 k = 0.6405-0.3727 0.3309 ( 3770 PWs) bands (ev): -5.1405 -5.1405 -4.3507 -4.3507 -3.6235 -3.6235 -2.7448 -2.7448 2.1450 2.1450 2.2452 2.2452 3.2016 3.2016 3.5964 3.5964 5.2964 5.2964 5.3546 5.3546 5.6942 5.6942 5.7766 5.7766 7.1744 7.1744 7.8349 7.8349 7.9124 7.9124 8.4684 8.4684 9.1424 9.1424 9.3485 9.3485 9.7954 9.7954 9.9238 9.9238 10.5889 10.5889 11.7166 11.7166 12.0487 12.0487 12.8877 12.8877 13.8558 13.8558 k = 0.6459-0.3923 0.3309 ( 3776 PWs) bands (ev): -5.0866 -5.0866 -4.3113 -4.3113 -3.5958 -3.5958 -2.7299 -2.7299 2.0438 2.0438 2.2152 2.2152 3.1124 3.1124 3.5757 3.5757 5.2824 5.2824 5.3460 5.3460 5.6928 5.6928 5.7609 5.7609 7.1945 7.1945 7.8458 7.8458 7.9276 7.9276 8.4270 8.4270 9.1387 9.1387 9.3446 9.3446 9.7956 9.7956 9.9258 9.9258 10.5164 10.5164 11.6415 11.6415 11.9488 11.9488 12.8200 12.8200 13.8822 13.8822 k = 0.6513-0.4120 0.3309 ( 3778 PWs) bands (ev): -5.0314 -5.0314 -4.2726 -4.2726 -3.5676 -3.5676 -2.7168 -2.7168 1.9429 1.9429 2.1778 2.1778 3.0321 3.0321 3.5554 3.5554 5.2640 5.2640 5.3321 5.3321 5.7052 5.7052 5.7546 5.7546 7.2151 7.2151 7.8550 7.8550 7.9391 7.9391 8.3848 8.3848 9.1341 9.1341 9.3369 9.3369 9.7992 9.7992 9.9287 9.9287 10.4425 10.4425 11.5634 11.5634 11.8520 11.8520 12.7562 12.7562 13.8815 13.8815 k = 0.6567-0.4316 0.3309 ( 3772 PWs) bands (ev): -4.9750 -4.9750 -4.2352 -4.2352 -3.5386 -3.5386 -2.7056 -2.7056 1.8437 1.8437 2.1324 2.1324 2.9613 2.9613 3.5347 3.5347 5.2437 5.2437 5.3166 5.3166 5.7256 5.7256 5.7576 5.7576 7.2361 7.2361 7.8621 7.8621 7.9455 7.9455 8.3429 8.3429 9.1285 9.1285 9.3259 9.3259 9.8043 9.8043 9.9330 9.9330 10.3686 10.3686 11.4848 11.4848 11.7588 11.7588 12.6966 12.6966 13.8418 13.8418 k = 0.6621-0.4512 0.3309 ( 3766 PWs) bands (ev): -4.9176 -4.9176 -4.1994 -4.1994 -3.5088 -3.5088 -2.6967 -2.6967 1.7473 1.7473 2.0795 2.0795 2.8999 2.8999 3.5129 3.5129 5.2244 5.2244 5.3016 5.3016 5.7467 5.7467 5.7716 5.7716 7.2571 7.2571 7.8665 7.8665 7.9457 7.9457 8.3030 8.3030 9.1219 9.1219 9.3124 9.3124 9.8087 9.8087 9.9397 9.9397 10.2957 10.2957 11.4076 11.4076 11.6695 11.6695 12.6419 12.6419 13.8041 13.8041 k = 0.6675-0.4708 0.3309 ( 3760 PWs) bands (ev): -4.8592 -4.8592 -4.1658 -4.1658 -3.4781 -3.4781 -2.6902 -2.6902 1.6544 1.6544 2.0202 2.0202 2.8473 2.8473 3.4897 3.4897 5.2085 5.2085 5.2886 5.2886 5.7639 5.7639 5.7977 5.7977 7.2780 7.2780 7.8677 7.8677 7.9384 7.9384 8.2664 8.2664 9.1144 9.1144 9.2966 9.2966 9.8102 9.8102 9.9496 9.9496 10.2252 10.2252 11.3337 11.3337 11.5844 11.5844 12.5921 12.5921 13.7682 13.7682 k = 0.6729-0.4905 0.3309 ( 3764 PWs) bands (ev): -4.8001 -4.8001 -4.1349 -4.1349 -3.4461 -3.4461 -2.6865 -2.6865 1.5656 1.5656 1.9557 1.9557 2.8028 2.8028 3.4650 3.4650 5.1973 5.1973 5.2785 5.2785 5.7806 5.7806 5.8292 5.8292 7.2984 7.2984 7.8652 7.8652 7.9225 7.9225 8.2347 8.2347 9.1059 9.1059 9.2788 9.2788 9.8075 9.8075 9.9628 9.9628 10.1583 10.1583 11.2646 11.2646 11.5036 11.5036 12.5476 12.5476 13.7331 13.7331 k = 0.6783-0.5101 0.3309 ( 3768 PWs) bands (ev): -4.7403 -4.7403 -4.1072 -4.1072 -3.4129 -3.4129 -2.6858 -2.6858 1.4813 1.4813 1.8877 1.8877 2.7654 2.7654 3.4390 3.4390 5.1915 5.1915 5.2717 5.2717 5.7986 5.7986 5.8624 5.8624 7.3182 7.3182 7.8581 7.8581 7.8981 7.8981 8.2083 8.2083 9.0965 9.0965 9.2591 9.2591 9.8005 9.8005 9.9786 9.9786 10.0966 10.0966 11.2019 11.2019 11.4273 11.4273 12.5083 12.5083 13.6979 13.6979 k = 0.6837-0.5297 0.3309 ( 3770 PWs) bands (ev): -4.6800 -4.6800 -4.0834 -4.0834 -3.3781 -3.3781 -2.6884 -2.6884 1.4021 1.4021 1.8177 1.8177 2.7344 2.7344 3.4118 3.4118 5.1912 5.1912 5.2685 5.2685 5.8179 5.8179 5.8956 5.8956 7.3370 7.3370 7.8449 7.8449 7.8671 7.8671 8.1868 8.1868 9.0863 9.0863 9.2374 9.2374 9.7895 9.7895 9.9941 9.9941 10.0430 10.0430 11.1467 11.1467 11.3556 11.3556 12.4743 12.4743 13.6622 13.6622 k = 0.6892-0.5494 0.3309 ( 3774 PWs) bands (ev): -4.6194 -4.6194 -4.0638 -4.0638 -3.3418 -3.3418 -2.6943 -2.6943 1.3282 1.3282 1.7471 1.7471 2.7091 2.7091 3.3839 3.3839 5.1959 5.1959 5.2692 5.2692 5.8383 5.8383 5.9278 5.9278 7.3544 7.3544 7.8186 7.8186 7.8382 7.8382 8.1688 8.1688 9.0756 9.0756 9.2134 9.2134 9.7753 9.7753 9.9823 9.9823 10.0244 10.0244 11.1002 11.1002 11.2883 11.2883 12.4455 12.4455 13.6261 13.6261 k = 0.6946-0.5690 0.3309 ( 3776 PWs) bands (ev): -4.5587 -4.5587 -4.0489 -4.0489 -3.3038 -3.3038 -2.7039 -2.7039 1.2600 1.2600 1.6771 1.6771 2.6892 2.6892 3.3557 3.3557 5.2047 5.2047 5.2741 5.2741 5.8592 5.8592 5.9583 5.9583 7.3700 7.3700 7.7780 7.7780 7.8147 7.8147 8.1529 8.1529 9.0645 9.0645 9.1872 9.1872 9.7588 9.7588 9.9432 9.9432 10.0405 10.0405 11.0633 11.0633 11.2256 11.2256 12.4219 12.4219 13.5901 13.5901 k = 0.7000-0.5886 0.3309 ( 3776 PWs) bands (ev): -4.4982 -4.4982 -4.0389 -4.0389 -3.2643 -3.2643 -2.7171 -2.7171 1.1977 1.1977 1.6087 1.6087 2.6745 2.6745 3.3280 3.3280 5.2160 5.2160 5.2840 5.2840 5.8804 5.8804 5.9866 5.9866 7.3829 7.3829 7.7327 7.7327 7.7893 7.7893 8.1379 8.1379 9.0534 9.0534 9.1586 9.1586 9.7407 9.7407 9.9084 9.9084 10.0595 10.0595 11.0363 11.0363 11.1673 11.1673 12.4032 12.4032 13.5549 13.5549 k = 0.7054-0.6082 0.3309 ( 3770 PWs) bands (ev): -4.4379 -4.4379 -4.0341 -4.0341 -3.2232 -3.2232 -2.7342 -2.7342 1.1415 1.1415 1.5426 1.5426 2.6650 2.6650 3.3012 3.3012 5.2273 5.2273 5.3001 5.3001 5.9016 5.9016 6.0122 6.0122 7.3919 7.3919 7.6857 7.6857 7.7615 7.7615 8.1228 8.1228 9.0426 9.0426 9.1278 9.1278 9.7223 9.7223 9.8800 9.8800 10.0788 10.0788 11.0193 11.0193 11.1135 11.1135 12.3895 12.3895 13.5214 13.5214 k = 0.7108-0.6279 0.3309 ( 3776 PWs) bands (ev): -4.3782 -4.3782 -4.0345 -4.0345 -3.1809 -3.1809 -2.7552 -2.7552 1.0915 1.0915 1.4794 1.4794 2.6608 2.6608 3.2761 3.2761 5.2370 5.2370 5.3231 5.3231 5.9225 5.9225 6.0344 6.0344 7.3954 7.3954 7.6383 7.6383 7.7332 7.7332 8.1072 8.1072 9.0319 9.0319 9.0952 9.0952 9.7041 9.7041 9.8577 9.8577 10.0981 10.0981 11.0112 11.0112 11.0648 11.0648 12.3807 12.3807 13.4906 13.4906 k = 0.7162-0.6475 0.3309 ( 3778 PWs) bands (ev): -4.3193 -4.3193 -4.0401 -4.0401 -3.1376 -3.1376 -2.7801 -2.7801 1.0478 1.0478 1.4199 1.4199 2.6620 2.6620 3.2531 3.2531 5.2442 5.2442 5.3524 5.3524 5.9429 5.9429 6.0530 6.0530 7.3908 7.3908 7.5911 7.5911 7.7076 7.7076 8.0909 8.0909 9.0200 9.0200 9.0633 9.0633 9.6867 9.6867 9.8412 9.8412 10.1177 10.1177 11.0023 11.0023 11.0301 11.0301 12.3766 12.3766 13.4633 13.4633 k = 0.7216-0.6671 0.3309 ( 3784 PWs) bands (ev): -4.2614 -4.2614 -4.0508 -4.0508 -3.0938 -3.0938 -2.8087 -2.8087 1.0105 1.0105 1.3643 1.3643 2.6687 2.6687 3.2330 3.2330 5.2488 5.2488 5.3870 5.3870 5.9625 5.9625 6.0675 6.0675 7.3757 7.3757 7.5445 7.5445 7.6880 7.6880 8.0736 8.0736 9.0001 9.0001 9.0395 9.0395 9.6704 9.6704 9.8302 9.8302 10.1380 10.1380 10.9678 10.9678 11.0332 11.0332 12.3772 12.3772 13.4401 13.4401 k = 0.7270-0.6868 0.3309 ( 3786 PWs) bands (ev): -4.2048 -4.2048 -4.0665 -4.0665 -3.0496 -3.0496 -2.8412 -2.8412 0.9795 0.9795 1.3131 1.3131 2.6811 2.6811 3.2163 3.2163 5.2507 5.2507 5.4256 5.4256 5.9809 5.9809 6.0778 6.0778 7.3482 7.3482 7.4997 7.4997 7.6766 7.6766 8.0554 8.0554 8.9678 8.9678 9.0295 9.0295 9.6549 9.6549 9.8245 9.8245 10.1592 10.1592 10.9293 10.9293 11.0515 11.0515 12.3825 12.3825 13.4217 13.4217 k = 0.7324-0.7064 0.3309 ( 3778 PWs) bands (ev): -4.1498 -4.1498 -4.0869 -4.0869 -3.0056 -3.0056 -2.8772 -2.8772 0.9549 0.9549 1.2668 1.2668 2.6992 2.6992 3.2034 3.2034 5.2496 5.2496 5.4673 5.4673 5.9977 5.9977 6.0838 6.0838 7.3082 7.3082 7.4579 7.4579 7.6737 7.6737 8.0363 8.0363 8.9302 8.9302 9.0275 9.0275 9.6400 9.6400 9.8241 9.8241 10.1818 10.1818 10.8928 10.8928 11.0775 11.0775 12.3924 12.3924 13.4085 13.4085 k = 0.7378-0.7260 0.3309 ( 3776 PWs) bands (ev): -4.1118 -4.1118 -4.0967 -4.0967 -2.9622 -2.9622 -2.9167 -2.9167 0.9367 0.9367 1.2255 1.2255 2.7231 2.7231 3.1948 3.1948 5.2455 5.2455 5.5112 5.5112 6.0123 6.0123 6.0857 6.0857 7.2576 7.2576 7.4201 7.4201 7.6776 7.6776 8.0164 8.0164 8.8916 8.8916 9.0303 9.0303 9.6254 9.6254 9.8285 9.8285 10.2061 10.2061 10.8589 10.8589 11.1096 11.1096 12.4067 12.4067 13.4009 13.4009 k = 0.7432-0.7456 0.3309 ( 3780 PWs) bands (ev): -4.1410 -4.1410 -4.0457 -4.0457 -2.9594 -2.9594 -2.9197 -2.9197 0.9246 0.9246 1.1897 1.1897 2.7528 2.7528 3.1910 3.1910 5.2379 5.2379 5.5565 5.5565 6.0234 6.0234 6.0842 6.0842 7.1992 7.1992 7.3865 7.3865 7.6866 7.6866 7.9956 7.9956 8.8537 8.8537 9.0373 9.0373 9.6109 9.6109 9.8373 9.8373 10.2322 10.2322 10.8276 10.8276 11.1467 11.1467 12.4256 12.4256 13.3989 13.3989 k = 0.7486-0.7653 0.3309 ( 3780 PWs) bands (ev): -4.1740 -4.1740 -3.9972 -3.9972 -3.0051 -3.0051 -2.8786 -2.8786 0.9186 0.9186 1.1596 1.1596 2.7881 2.7881 3.1922 3.1922 5.2269 5.2269 5.6025 5.6025 6.0286 6.0286 6.0816 6.0816 7.1356 7.1356 7.3571 7.3571 7.6992 7.6992 7.9740 7.9740 8.8180 8.8180 9.0484 9.0484 9.5968 9.5968 9.8501 9.8501 10.2604 10.2604 10.7988 10.7988 11.1877 11.1877 12.4488 12.4488 13.4029 13.4029 k = 0.2514-0.9131 0.5988 ( 3780 PWs) bands (ev): -4.1740 -4.1740 -3.9972 -3.9972 -3.0051 -3.0051 -2.8786 -2.8786 0.9186 0.9186 1.1596 1.1596 2.7881 2.7881 3.1922 3.1922 5.2269 5.2269 5.6025 5.6025 6.0286 6.0286 6.0816 6.0816 7.1356 7.1356 7.3571 7.3571 7.6992 7.6992 7.9740 7.9740 8.8180 8.8180 9.0484 9.0484 9.5968 9.5968 9.8501 9.8501 10.2604 10.2604 10.7988 10.7988 11.1877 11.1877 12.4488 12.4488 13.4029 13.4029 k = 0.2461-0.8937 0.5988 ( 3780 PWs) bands (ev): -4.2102 -4.2102 -3.9518 -3.9518 -3.0531 -3.0531 -2.8396 -2.8396 0.9187 0.9187 1.1358 1.1358 2.8285 2.8285 3.1987 3.1987 5.2124 5.2124 5.6479 5.6479 6.0246 6.0246 6.0810 6.0810 7.0700 7.0700 7.3317 7.3317 7.7144 7.7144 7.9517 7.9517 8.7858 8.7858 9.0633 9.0633 9.5828 9.5828 9.8661 9.8661 10.2904 10.2904 10.7726 10.7726 11.2314 11.2314 12.4759 12.4759 13.4125 13.4125 k = 0.2407-0.8742 0.5988 ( 3778 PWs) bands (ev): -4.2496 -4.2496 -3.9093 -3.9093 -3.1035 -3.1035 -2.8026 -2.8026 0.9245 0.9245 1.1182 1.1182 2.8742 2.8742 3.2107 3.2107 5.1946 5.1946 5.6924 5.6924 6.0108 6.0108 6.0829 6.0829 7.0034 7.0034 7.3100 7.3100 7.7317 7.7317 7.9285 7.9285 8.7577 8.7577 9.0821 9.0821 9.5692 9.5692 9.8850 9.8850 10.3227 10.3227 10.7488 10.7488 11.2774 11.2774 12.5071 12.5071 13.4279 13.4279 k = 0.2354-0.8548 0.5988 ( 3774 PWs) bands (ev): -4.2919 -4.2919 -3.8700 -3.8700 -3.1561 -3.1561 -2.7680 -2.7680 0.9360 0.9360 1.1069 1.1069 2.9247 2.9247 3.2282 3.2282 5.1735 5.1735 5.7351 5.7351 5.9895 5.9895 6.0856 6.0856 6.9370 6.9370 7.2915 7.2915 7.7509 7.7509 7.9043 7.9043 8.7345 8.7345 9.1045 9.1045 9.5559 9.5559 9.9063 9.9063 10.3572 10.3572 10.7275 10.7275 11.3249 11.3249 12.5422 12.5422 13.4487 13.4487 k = 0.2300-0.8354 0.5988 ( 3776 PWs) bands (ev): -4.3368 -4.3368 -3.8340 -3.8340 -3.2105 -3.2105 -2.7360 -2.7360 0.9529 0.9529 1.1022 1.1022 2.9799 2.9799 3.2514 3.2514 5.1493 5.1493 5.7745 5.7745 5.9632 5.9632 6.0873 6.0873 6.8720 6.8720 7.2762 7.2762 7.7718 7.7718 7.8793 7.8793 8.7169 8.7169 9.1302 9.1302 9.5428 9.5428 9.9297 9.9297 10.3942 10.3942 10.7086 10.7086 11.3733 11.3733 12.5810 12.5810 13.4746 13.4746 k = 0.2247-0.8160 0.5988 ( 3778 PWs) bands (ev): -4.3839 -4.3839 -3.8016 -3.8016 -3.2665 -3.2665 -2.7068 -2.7068 0.9751 0.9751 1.1043 1.1043 3.0394 3.0394 3.2802 3.2802 5.1225 5.1225 5.8076 5.8076 5.9356 5.9356 6.0872 6.0872 6.8092 6.8092 7.2635 7.2635 7.7941 7.7941 7.8539 7.8539 8.7053 8.7053 9.1587 9.1587 9.5300 9.5300 9.9547 9.9547 10.4337 10.4337 10.6924 10.6924 11.4218 11.4218 12.6233 12.6233 13.5054 13.5054 k = 0.2193-0.7965 0.5988 ( 3784 PWs) bands (ev): -4.4330 -4.4330 -3.7730 -3.7730 -3.3238 -3.3238 -2.6806 -2.6806 1.0024 1.0024 1.1132 1.1132 3.1028 3.1028 3.3147 3.3147 5.0932 5.0932 5.8240 5.8240 5.9170 5.9170 6.0851 6.0851 6.7493 6.7493 7.2532 7.2532 7.8118 7.8118 7.8347 7.8347 8.7000 8.7000 9.1894 9.1894 9.5176 9.5176 9.9812 9.9812 10.4759 10.4759 10.6791 10.6791 11.4696 11.4696 12.6689 12.6689 13.5405 13.5405 k = 0.2140-0.7771 0.5988 ( 3780 PWs) bands (ev): -4.4837 -4.4837 -3.7483 -3.7483 -3.3821 -3.3821 -2.6576 -2.6576 1.0347 1.0347 1.1291 1.1291 3.1696 3.1696 3.3547 3.3547 5.0620 5.0620 5.8078 5.8078 5.9236 5.9236 6.0814 6.0814 6.6928 6.6928 7.2446 7.2446 7.7948 7.7948 7.8522 7.8522 8.7010 8.7010 9.2217 9.2217 9.5055 9.5055 10.0086 10.0086 10.5210 10.5210 10.6692 10.6692 11.5161 11.5161 12.7175 12.7175 13.5793 13.5793 k = 0.2086-0.7577 0.5988 ( 3778 PWs) bands (ev): -4.5358 -4.5358 -3.7276 -3.7276 -3.4409 -3.4409 -2.6379 -2.6379 1.0715 1.0715 1.1520 1.1520 3.2394 3.2394 3.4000 3.4000 5.0293 5.0293 5.7691 5.7691 5.9453 5.9453 6.0763 6.0763 6.6400 6.6400 7.2371 7.2371 7.7689 7.7689 7.8814 7.8814 8.7079 8.7079 9.2548 9.2548 9.4938 9.4938 10.0368 10.0368 10.5690 10.5690 10.6633 10.6633 11.5606 11.5606 12.7691 12.7691 13.6212 13.6212 k = 0.2033-0.7383 0.5988 ( 3778 PWs) bands (ev): -4.5890 -4.5890 -3.7114 -3.7114 -3.4998 -3.4998 -2.6215 -2.6215 1.1128 1.1128 1.1817 1.1817 3.3117 3.3117 3.4503 3.4503 4.9955 4.9955 5.7212 5.7212 5.9690 5.9690 6.0710 6.0710 6.5910 6.5910 7.2300 7.2300 7.7434 7.7434 7.9139 7.9139 8.7203 8.7203 9.2881 9.2881 9.4827 9.4827 10.0651 10.0651 10.6193 10.6193 10.6627 10.6627 11.6021 11.6021 12.8232 12.8232 13.6655 13.6655 k = 0.1979-0.7188 0.5988 ( 3776 PWs) bands (ev): -4.6431 -4.6431 -3.7004 -3.7004 -3.5576 -3.5576 -2.6084 -2.6084 1.1581 1.1581 1.2182 1.2182 3.3858 3.3858 3.5055 3.5055 4.9610 4.9610 5.6685 5.6685 5.9894 5.9894 6.0674 6.0674 6.5459 6.5459 7.2223 7.2223 7.7199 7.7199 7.9493 7.9493 8.7376 8.7376 9.3204 9.3204 9.4724 9.4724 10.0929 10.0929 10.6585 10.6585 10.6821 10.6821 11.6402 11.6402 12.8797 12.8797 13.7114 13.7114 k = 0.1926-0.6994 0.5988 ( 3778 PWs) bands (ev): -4.6977 -4.6977 -3.6977 -3.6977 -3.6109 -3.6109 -2.5985 -2.5985 1.2072 1.2072 1.2614 1.2614 3.4611 3.4611 3.5651 3.5651 4.9263 4.9263 5.6126 5.6126 6.0029 6.0029 6.0693 6.0693 6.5044 6.5044 7.2131 7.2131 7.6996 7.6996 7.9872 7.9872 8.7592 8.7592 9.3506 9.3506 9.4634 9.4634 10.1197 10.1197 10.6717 10.6717 10.7373 10.7373 11.6739 11.6739 12.9382 12.9382 13.7584 13.7584 k = 0.1872-0.6800 0.5988 ( 3782 PWs) bands (ev): -4.7527 -4.7527 -3.7159 -3.7159 -3.6470 -3.6470 -2.5919 -2.5919 1.2597 1.2597 1.3109 1.3109 3.5371 3.5371 3.6286 3.6286 4.8918 4.8918 5.5546 5.5546 6.0072 6.0072 6.0799 6.0799 6.4665 6.4665 7.2015 7.2015 7.6836 7.6836 8.0274 8.0274 8.7843 8.7843 9.3767 9.3767 9.4573 9.4573 10.1444 10.1444 10.6889 10.6889 10.7995 10.7995 11.7028 11.7028 12.9984 12.9984 13.8060 13.8060 k = 0.1819-0.6605 0.5988 ( 3780 PWs) bands (ev): -4.8079 -4.8079 -3.7615 -3.7615 -3.6588 -3.6588 -2.5882 -2.5882 1.3152 1.3152 1.3665 1.3665 3.6130 3.6130 3.6957 3.6957 4.8579 4.8579 5.4952 5.4952 6.0050 6.0050 6.0979 6.0979 6.4317 6.4317 7.1869 7.1869 7.6728 7.6728 8.0695 8.0695 8.8123 8.8123 9.3943 9.3943 9.4579 9.4579 10.1664 10.1664 10.7139 10.7139 10.8661 10.8661 11.7263 11.7263 13.0597 13.0597 13.8541 13.8541 k = 0.1765-0.6411 0.5988 ( 3786 PWs) bands (ev): -4.8630 -4.8630 -3.8170 -3.8170 -3.6636 -3.6636 -2.5875 -2.5875 1.3733 1.3733 1.4277 1.4277 3.6882 3.6882 3.7656 3.7656 4.8251 4.8251 5.4353 5.4353 6.0009 6.0009 6.1203 6.1203 6.3999 6.3999 7.1686 7.1686 7.6677 7.6677 8.1133 8.1133 8.8424 8.8424 9.3995 9.3995 9.4688 9.4688 10.1850 10.1850 10.7475 10.7475 10.9370 10.9370 11.7440 11.7440 13.1216 13.1216 13.9028 13.9028 k = 0.1712-0.6217 0.5988 ( 3780 PWs) bands (ev): -4.9179 -4.9179 -3.8746 -3.8746 -3.6687 -3.6687 -2.5895 -2.5895 1.4335 1.4335 1.4942 1.4942 3.7620 3.7620 3.8376 3.8376 4.7936 4.7936 5.3753 5.3753 5.9974 5.9974 6.1459 6.1459 6.3710 6.3710 7.1469 7.1469 7.6687 7.6687 8.1581 8.1581 8.8741 8.8741 9.3958 9.3958 9.4863 9.4863 10.2000 10.2000 10.7902 10.7902 11.0122 11.0122 11.7558 11.7558 13.1834 13.1834 13.9525 13.9525 k = 0.1658-0.6023 0.5988 ( 3776 PWs) bands (ev): -4.9723 -4.9723 -3.9325 -3.9325 -3.6756 -3.6756 -2.5940 -2.5940 1.4953 1.4953 1.5655 1.5655 3.8335 3.8335 3.9111 3.9111 4.7641 4.7641 5.3161 5.3161 5.9963 5.9963 6.1741 6.1741 6.3457 6.3457 7.1219 7.1219 7.6754 7.6754 8.2035 8.2035 8.9067 8.9067 9.3885 9.3885 9.5051 9.5051 10.2114 10.2114 10.8418 10.8418 11.0915 11.0915 11.7617 11.7617 13.2442 13.2442 14.0037 14.0037 k = 0.1605-0.5828 0.5988 ( 3778 PWs) bands (ev): -5.0262 -5.0262 -3.9901 -3.9901 -3.6845 -3.6845 -2.6007 -2.6007 1.5580 1.5580 1.6411 1.6411 3.9022 3.9022 3.9851 3.9851 4.7370 4.7370 5.2582 5.2582 5.9986 5.9986 6.2026 6.2026 6.3267 6.3267 7.0944 7.0944 7.6875 7.6875 8.2489 8.2489 8.9397 8.9397 9.3798 9.3798 9.5227 9.5227 10.2195 10.2195 10.9020 10.9020 11.1745 11.1745 11.7621 11.7621 13.3031 13.3031 14.0570 14.0570 k = 0.1551-0.5634 0.5988 ( 3786 PWs) bands (ev): -5.0794 -5.0794 -4.0468 -4.0468 -3.6956 -3.6956 -2.6096 -2.6096 1.6211 1.6211 1.7206 1.7206 3.9672 3.9672 4.0586 4.0586 4.7129 4.7129 5.2022 5.2022 6.0054 6.0054 6.2230 6.2230 6.3232 6.3232 7.0649 7.0649 7.7045 7.7045 8.2938 8.2938 8.9727 8.9727 9.3706 9.3706 9.5384 9.5384 10.2248 10.2248 10.9699 10.9699 11.2608 11.2608 11.7575 11.7575 13.3592 13.3592 14.1131 14.1131 k = 0.1498-0.5440 0.5988 ( 3778 PWs) bands (ev): -5.1318 -5.1318 -4.1026 -4.1026 -3.7085 -3.7085 -2.6203 -2.6203 1.6840 1.6840 1.8033 1.8033 4.0279 4.0279 4.1302 4.1302 4.6928 4.6928 5.1489 5.1489 6.0173 6.0173 6.2231 6.2231 6.3480 6.3480 7.0343 7.0343 7.7257 7.7257 8.3376 8.3376 9.0055 9.0055 9.3615 9.3615 9.5519 9.5519 10.2278 10.2278 11.0451 11.0451 11.3488 11.3488 11.7497 11.7497 13.4113 13.4113 14.1725 14.1725 k = 0.1444-0.5245 0.5988 ( 3778 PWs) bands (ev): -5.1831 -5.1831 -4.1573 -4.1573 -3.7230 -3.7230 -2.6326 -2.6326 1.7461 1.7461 1.8886 1.8886 4.0835 4.0835 4.1980 4.1980 4.6780 4.6780 5.0992 5.0992 6.0347 6.0347 6.2095 6.2095 6.3956 6.3956 7.0033 7.0033 7.7508 7.7508 8.3798 8.3798 9.0374 9.0374 9.3526 9.3526 9.5632 9.5632 10.2290 10.2290 11.1267 11.1267 11.4350 11.4350 11.7423 11.7423 13.4585 13.4585 14.2354 14.2354 k = 0.1391-0.5051 0.5988 ( 3786 PWs) bands (ev): -5.2334 -5.2334 -4.2108 -4.2108 -3.7390 -3.7390 -2.6463 -2.6463 1.8068 1.8068 1.9758 1.9758 4.1336 4.1336 4.2595 4.2595 4.6706 4.6706 5.0539 5.0539 6.0569 6.0569 6.1931 6.1931 6.4566 6.4566 6.9725 6.9725 7.7793 7.7793 8.4200 8.4200 9.0683 9.0683 9.3441 9.3441 9.5723 9.5723 10.2287 10.2287 11.2140 11.2140 11.5099 11.5099 11.7451 11.7451 13.4999 13.4999 14.3020 14.3020 k = 0.1337-0.4857 0.5988 ( 3784 PWs) bands (ev): -5.2824 -5.2824 -4.2629 -4.2629 -3.7562 -3.7562 -2.6611 -2.6611 1.8656 1.8656 2.0640 2.0640 4.1773 4.1773 4.3113 4.3113 4.6735 4.6735 5.0143 5.0143 6.0798 6.0798 6.1821 6.1821 6.5274 6.5274 6.9428 6.9428 7.8109 7.8109 8.4576 8.4576 9.0980 9.0980 9.3364 9.3364 9.5793 9.5793 10.2273 10.2273 11.3065 11.3065 11.5532 11.5532 11.7785 11.7785 13.5351 13.5351 14.3719 14.3719 k = 0.1284-0.4663 0.5988 ( 3782 PWs) bands (ev): -5.3302 -5.3302 -4.3135 -4.3135 -3.7744 -3.7744 -2.6769 -2.6769 1.9221 1.9221 2.1526 2.1526 4.2141 4.2141 4.3498 4.3498 4.6898 4.6898 4.9819 4.9819 6.0917 6.0917 6.1901 6.1901 6.6061 6.6061 6.9152 6.9152 7.8454 7.8454 8.4924 8.4924 9.1260 9.1260 9.3297 9.3297 9.5843 9.5843 10.2251 10.2251 11.4033 11.4033 11.5556 11.5556 11.8518 11.8518 13.5638 13.5638 14.4444 14.4444 k = 0.1230-0.4468 0.5988 ( 3776 PWs) bands (ev): -5.3766 -5.3766 -4.3625 -4.3625 -3.7933 -3.7933 -2.6935 -2.6935 1.9756 1.9756 2.2407 2.2407 4.2431 4.2431 4.3734 4.3734 4.7207 4.7207 4.9582 4.9582 6.0848 6.0848 6.2253 6.2253 6.6899 6.6899 6.8922 6.8922 7.8826 7.8826 8.5239 8.5239 9.1521 9.1521 9.3246 9.3246 9.5875 9.5875 10.2222 10.2222 11.5032 11.5032 11.5343 11.5343 11.9489 11.9489 13.5860 13.5860 14.5177 14.5177 k = 0.1177-0.4274 0.5988 ( 3776 PWs) bands (ev): -5.4214 -5.4214 -4.4099 -4.4099 -3.8128 -3.8128 -2.7106 -2.7106 2.0259 2.0259 2.3275 2.3275 4.2636 4.2636 4.3838 4.3838 4.7641 4.7641 4.9452 4.9452 6.0683 6.0683 6.2788 6.2788 6.7674 6.7674 6.8850 6.8850 7.9224 7.9224 8.5520 8.5520 9.1755 9.1755 9.3216 9.3216 9.5889 9.5889 10.2186 10.2186 11.4985 11.4985 11.6087 11.6087 12.0569 12.0569 13.6020 13.6020 14.5874 14.5874 k = 0.1123-0.4080 0.5988 ( 3772 PWs) bands (ev): -5.4648 -5.4648 -4.4556 -4.4556 -3.8327 -3.8327 -2.7280 -2.7280 2.0727 2.0727 2.4120 2.4120 4.2753 4.2753 4.3847 4.3847 4.8159 4.8159 4.9446 4.9446 6.0487 6.0487 6.3440 6.3440 6.7982 6.7982 6.9339 6.9339 7.9647 7.9647 8.5764 8.5764 9.1954 9.1954 9.3217 9.3217 9.5886 9.5886 10.2146 10.2146 11.4577 11.4577 11.7149 11.7149 12.1703 12.1703 13.6125 13.6125 14.6419 14.6419 k = 0.1070-0.3886 0.5988 ( 3770 PWs) bands (ev): -5.5065 -5.5065 -4.4996 -4.4996 -3.8527 -3.8527 -2.7457 -2.7457 2.1158 2.1158 2.4934 2.4934 4.2782 4.2782 4.3794 4.3794 4.8720 4.8720 4.9577 4.9577 6.0284 6.0284 6.4179 6.4179 6.7903 6.7903 7.0306 7.0306 8.0096 8.0096 8.5970 8.5970 9.2109 9.2109 9.3261 9.3261 9.5869 9.5869 10.2102 10.2102 11.4120 11.4120 11.8226 11.8226 12.2866 12.2866 13.6181 13.6181 14.6517 14.6517 k = 0.1016-0.3691 0.5988 ( 3774 PWs) bands (ev): -5.5465 -5.5465 -4.5417 -4.5417 -3.8727 -3.8727 -2.7634 -2.7634 2.1549 2.1549 2.5710 2.5710 4.2732 4.2732 4.3705 4.3705 4.9288 4.9288 4.9859 4.9859 6.0084 6.0084 6.4982 6.4982 6.7770 6.7770 7.1419 7.1419 8.0571 8.0571 8.6135 8.6135 9.2215 9.2215 9.3353 9.3353 9.5837 9.5837 10.2054 10.2054 11.3630 11.3630 11.9306 11.9306 12.4037 12.4037 13.6198 13.6198 14.5859 14.5859 k = 0.0963-0.3497 0.5988 ( 3774 PWs) bands (ev): -5.5848 -5.5848 -4.5819 -4.5819 -3.8925 -3.8925 -2.7810 -2.7810 2.1902 2.1902 2.6441 2.6441 4.2616 4.2616 4.3593 4.3593 4.9839 4.9839 5.0293 5.0293 5.9894 5.9894 6.5815 6.5815 6.7675 6.7675 7.2603 7.2603 8.1072 8.1072 8.6258 8.6258 9.2278 9.2278 9.3490 9.3490 9.5792 9.5792 10.2002 10.2002 11.3112 11.3112 12.0373 12.0373 12.5197 12.5197 13.6184 13.6184 14.4643 14.4643 k = 0.0909-0.3303 0.5988 ( 3770 PWs) bands (ev): -5.6212 -5.6212 -4.6202 -4.6202 -3.9120 -3.9120 -2.7984 -2.7984 2.2216 2.2216 2.7121 2.7121 4.2448 4.2448 4.3468 4.3468 5.0388 5.0388 5.0842 5.0842 5.9718 5.9718 6.6574 6.6574 6.7730 6.7730 7.3832 7.3832 8.1601 8.1601 8.6339 8.6339 9.2311 9.2311 9.3659 9.3659 9.5735 9.5735 10.1947 10.1947 11.2571 11.2571 12.1404 12.1404 12.6323 12.6323 13.6151 13.6151 14.3198 14.3198 k = 0.0856-0.3108 0.5988 ( 3772 PWs) bands (ev): -5.6559 -5.6559 -4.6565 -4.6565 -3.9310 -3.9310 -2.8153 -2.8153 2.2493 2.2493 2.7745 2.7745 4.2246 4.2246 4.3337 4.3337 5.0973 5.0973 5.1446 5.1446 5.9561 5.9561 6.6964 6.6964 6.8223 6.8223 7.5092 7.5092 8.2158 8.2158 8.6376 8.6376 9.2330 9.2330 9.3847 9.3847 9.5669 9.5669 10.1890 10.1890 11.2013 11.2013 12.2368 12.2368 12.7387 12.7387 13.6112 13.6112 14.1718 14.1718 k = 0.0802-0.2914 0.5988 ( 3766 PWs) bands (ev): -5.6886 -5.6886 -4.6908 -4.6908 -3.9495 -3.9495 -2.8318 -2.8318 2.2735 2.2735 2.8311 2.8311 4.2021 4.2021 4.3203 4.3203 5.1596 5.1596 5.2077 5.2077 5.9430 5.9430 6.7039 6.7039 6.9093 6.9093 7.6371 7.6371 8.2745 8.2745 8.6369 8.6369 9.2345 9.2345 9.4045 9.4045 9.5595 9.5595 10.1829 10.1829 11.1439 11.1439 12.3221 12.3221 12.8348 12.8348 13.6084 13.6084 14.0326 14.0326 k = 0.0749-0.2720 0.5988 ( 3766 PWs) bands (ev): -5.7194 -5.7194 -4.7231 -4.7231 -3.9672 -3.9672 -2.8476 -2.8476 2.2943 2.2943 2.8818 2.8818 4.1786 4.1786 4.3070 4.3070 5.2233 5.2233 5.2735 5.2735 5.9336 5.9336 6.7054 6.7054 7.0075 7.0075 7.7657 7.7657 8.3362 8.3362 8.6317 8.6317 9.2364 9.2364 9.4244 9.4244 9.5519 9.5519 10.1766 10.1766 11.0852 11.0852 12.3902 12.3902 12.9157 12.9157 13.6087 13.6087 13.9127 13.9127 k = 0.0695-0.2526 0.5988 ( 3766 PWs) bands (ev): -5.7482 -5.7482 -4.7532 -4.7532 -3.9842 -3.9842 -2.8628 -2.8628 2.3122 2.3122 2.9267 2.9267 4.1548 4.1548 4.2939 4.2939 5.2844 5.2844 5.3426 5.3426 5.9291 5.9291 6.7078 6.7078 7.1087 7.1087 7.8935 7.8935 8.4011 8.4011 8.6219 8.6219 9.2393 9.2393 9.4437 9.4437 9.5446 9.5446 10.1700 10.1700 11.0254 11.0254 12.4338 12.4338 12.9756 12.9756 13.6135 13.6135 13.8219 13.8219 k = 0.0642-0.2331 0.5988 ( 3770 PWs) bands (ev): -5.7750 -5.7750 -4.7812 -4.7812 -4.0002 -4.0002 -2.8772 -2.8772 2.3273 2.3273 2.9661 2.9661 4.1313 4.1313 4.2811 4.2811 5.3405 5.3405 5.4137 5.4137 5.9318 5.9318 6.7128 6.7128 7.2099 7.2099 8.0192 8.0192 8.4689 8.4689 8.6076 8.6076 9.2437 9.2437 9.4609 9.4609 9.5391 9.5391 10.1634 10.1634 10.9649 10.9649 12.4461 12.4461 13.0097 13.0097 13.6225 13.6225 13.7689 13.7689 k = 0.0588-0.2137 0.5988 ( 3772 PWs) bands (ev): -5.7997 -5.7997 -4.8071 -4.8071 -4.0152 -4.0152 -2.8907 -2.8907 2.3400 2.3400 3.0002 3.0002 4.1087 4.1087 4.2690 4.2690 5.3910 5.3910 5.4821 5.4821 5.9450 5.9450 6.7208 6.7208 7.3095 7.3095 8.1411 8.1411 8.5393 8.5393 8.5893 8.5893 9.2501 9.2501 9.4737 9.4737 9.5380 9.5380 10.1566 10.1566 10.9038 10.9038 12.4246 12.4246 13.0163 13.0163 13.6323 13.6323 13.7573 13.7573 k = 0.0535-0.1943 0.5988 ( 3776 PWs) bands (ev): -5.8224 -5.8224 -4.8308 -4.8308 -4.0292 -4.0292 -2.9032 -2.9032 2.3505 2.3505 3.0294 3.0294 4.0874 4.0874 4.2574 4.2574 5.4360 5.4360 5.5418 5.5418 5.9728 5.9728 6.7316 6.7316 7.4058 7.4058 8.2570 8.2570 8.5644 8.5644 8.6149 8.6149 9.2588 9.2588 9.4795 9.4795 9.5438 9.5438 10.1498 10.1498 10.8426 10.8426 12.3732 12.3732 12.9977 12.9977 13.6375 13.6375 13.7829 13.7829 k = 0.0481-0.1748 0.5988 ( 3776 PWs) bands (ev): -5.8430 -5.8430 -4.8523 -4.8523 -4.0421 -4.0421 -2.9147 -2.9147 2.3591 2.3591 3.0542 3.0542 4.0675 4.0675 4.2467 4.2467 5.4757 5.4757 5.5880 5.5880 6.0182 6.0182 6.7448 6.7448 7.4974 7.4974 8.3633 8.3633 8.5400 8.5400 8.6903 8.6903 9.2701 9.2701 9.4796 9.4796 9.5558 9.5558 10.1430 10.1430 10.7819 10.7819 12.3006 12.3006 12.9591 12.9591 13.6340 13.6340 13.8360 13.8360 k = 0.0428-0.1554 0.5988 ( 3782 PWs) bands (ev): -5.8615 -5.8615 -4.8716 -4.8716 -4.0537 -4.0537 -2.9252 -2.9252 2.3661 2.3661 3.0750 3.0750 4.0493 4.0493 4.2368 4.2368 5.5101 5.5101 5.6193 5.6193 6.0804 6.0804 6.7597 6.7597 7.5831 7.5831 8.4450 8.4450 8.5264 8.5264 8.7680 8.7680 9.2839 9.2839 9.4781 9.4781 9.5699 9.5699 10.1362 10.1362 10.7223 10.7223 12.2164 12.2164 12.9064 12.9064 13.6200 13.6200 13.9038 13.9038 k = 0.0374-0.1360 0.5988 ( 3780 PWs) bands (ev): -5.8779 -5.8779 -4.8887 -4.8887 -4.0641 -4.0641 -2.9346 -2.9346 2.3718 2.3718 3.0923 3.0923 4.0329 4.0329 4.2279 4.2279 5.5394 5.5394 5.6383 5.6383 6.1548 6.1548 6.7757 6.7757 7.6615 7.6615 8.4486 8.4486 8.5761 8.5761 8.8471 8.8471 9.2994 9.2994 9.4784 9.4784 9.5834 9.5834 10.1296 10.1296 10.6650 10.6650 12.1285 12.1285 12.8456 12.8456 13.5954 13.5954 13.9661 13.9661 k = 0.0321-0.1166 0.5988 ( 3778 PWs) bands (ev): -5.8921 -5.8921 -4.9035 -4.9035 -4.0732 -4.0732 -2.9428 -2.9428 2.3762 2.3762 3.1064 3.1064 4.0186 4.0186 4.2200 4.2200 5.5639 5.5639 5.6489 5.6489 6.2351 6.2351 6.7918 6.7918 7.7314 7.7314 8.4165 8.4165 8.6462 8.6462 8.9269 8.9269 9.3146 9.3146 9.4828 9.4828 9.5944 9.5944 10.1231 10.1231 10.6112 10.6112 12.0427 12.0427 12.7820 12.7820 13.5609 13.5609 13.9489 13.9489 k = 0.0267-0.0971 0.5988 ( 3782 PWs) bands (ev): -5.9041 -5.9041 -4.9161 -4.9161 -4.0810 -4.0810 -2.9498 -2.9498 2.3797 2.3797 3.1178 3.1178 4.0063 4.0063 4.2132 4.2132 5.5839 5.5839 5.6544 5.6544 6.3154 6.3154 6.8072 6.8072 7.7917 7.7917 8.3797 8.3797 8.7064 8.7064 9.0065 9.0065 9.3272 9.3272 9.4918 9.4918 9.6020 9.6020 10.1165 10.1165 10.5627 10.5627 11.9635 11.9635 12.7201 12.7201 13.5181 13.5181 13.8789 13.8789 k = 0.0214-0.0777 0.5988 ( 3782 PWs) bands (ev): -5.9140 -5.9140 -4.9264 -4.9264 -4.0874 -4.0874 -2.9555 -2.9555 2.3823 2.3823 3.1266 3.1266 3.9962 3.9962 4.2076 4.2076 5.5996 5.5996 5.6569 5.6569 6.3903 6.3903 6.8209 6.8209 7.8414 7.8414 8.3437 8.3437 8.7535 8.7535 9.0848 9.0848 9.3357 9.3357 9.5020 9.5020 9.6072 9.6072 10.1101 10.1101 10.5211 10.5211 11.8941 11.8941 12.6639 12.6639 13.4711 13.4711 13.8263 13.8263 k = 0.0160-0.0583 0.5988 ( 3780 PWs) bands (ev): -5.9217 -5.9217 -4.9344 -4.9344 -4.0924 -4.0924 -2.9600 -2.9600 2.3842 2.3842 3.1333 3.1333 3.9882 3.9882 4.2032 4.2032 5.6115 5.6115 5.6579 5.6579 6.4551 6.4551 6.8324 6.8324 7.8797 7.8797 8.3119 8.3119 8.7880 8.7880 9.1596 9.1596 9.3402 9.3402 9.5056 9.5056 9.6131 9.6131 10.1040 10.1040 10.4881 10.4881 11.8371 11.8371 12.6167 12.6167 13.4261 13.4261 13.7908 13.7908 k = 0.0107-0.0389 0.5988 ( 3776 PWs) bands (ev): -5.9272 -5.9272 -4.9401 -4.9401 -4.0960 -4.0960 -2.9633 -2.9633 2.3855 2.3855 3.1379 3.1379 3.9826 3.9826 4.2000 4.2000 5.6198 5.6198 5.6581 5.6581 6.5054 6.5054 6.8409 6.8409 7.9064 7.9064 8.2871 8.2871 8.8113 8.8113 9.2277 9.2277 9.3418 9.3418 9.4962 9.4962 9.6220 9.6220 10.0987 10.0987 10.4644 10.4644 11.7948 11.7948 12.5809 12.5809 13.3894 13.3894 13.7685 13.7685 k = 0.0053-0.0194 0.5988 ( 3772 PWs) bands (ev): -5.9305 -5.9305 -4.9436 -4.9436 -4.0982 -4.0982 -2.9652 -2.9652 2.3862 2.3862 3.1406 3.1406 3.9791 3.9791 4.1981 4.1981 5.6247 5.6247 5.6581 5.6581 6.5374 6.5374 6.8461 6.8461 7.9219 7.9219 8.2715 8.2715 8.8246 8.8246 9.2824 9.2824 9.3410 9.3410 9.4778 9.4778 9.6307 9.6307 10.0950 10.0950 10.4502 10.4502 11.7687 11.7687 12.5587 12.5587 13.3657 13.3657 13.7564 13.7564 k = 0.0000 0.0000 0.5988 ( 3768 PWs) bands (ev): -5.9316 -5.9316 -4.9447 -4.9447 -4.0989 -4.0989 -2.9659 -2.9659 2.3865 2.3865 3.1414 3.1414 3.9780 3.9780 4.1974 4.1974 5.6263 5.6263 5.6580 5.6580 6.5483 6.5483 6.8479 6.8479 7.9270 7.9270 8.2661 8.2661 8.8289 8.8289 9.3072 9.3072 9.3385 9.3385 9.4669 9.4669 9.6342 9.6342 10.0937 10.0937 10.4456 10.4456 11.7598 11.7598 12.5511 12.5511 13.3575 13.3575 13.7525 13.7525 k = 0.0000 0.0000 0.5988 ( 3768 PWs) bands (ev): -5.9316 -5.9316 -4.9447 -4.9447 -4.0989 -4.0989 -2.9659 -2.9659 2.3865 2.3865 3.1414 3.1414 3.9780 3.9780 4.1974 4.1974 5.6263 5.6263 5.6580 5.6580 6.5483 6.5483 6.8479 6.8479 7.9270 7.9270 8.2661 8.2661 8.8289 8.8289 9.3072 9.3072 9.3385 9.3385 9.4669 9.4669 9.6342 9.6342 10.0937 10.0937 10.4456 10.4456 11.7598 11.7598 12.5511 12.5511 13.3575 13.3575 13.7525 13.7525 k = 0.0197 0.0054 0.5988 ( 3772 PWs) bands (ev): -5.9311 -5.9311 -4.9438 -4.9438 -4.1021 -4.1021 -2.9643 -2.9643 2.3859 2.3859 3.1417 3.1417 3.9709 3.9709 4.2085 4.2085 5.6041 5.6041 5.6843 5.6843 6.5462 6.5462 6.8504 6.8504 7.9274 7.9274 8.2597 8.2597 8.8266 8.8266 9.2786 9.2786 9.3592 9.3592 9.4605 9.4605 9.6360 9.6360 10.0951 10.0951 10.4520 10.4520 11.7526 11.7526 12.5515 12.5515 13.3621 13.3621 13.7539 13.7539 k = 0.0394 0.0109 0.5988 ( 3774 PWs) bands (ev): -5.9297 -5.9297 -4.9411 -4.9411 -4.1116 -4.1116 -2.9597 -2.9597 2.3844 2.3844 3.1422 3.1422 3.9541 3.9541 4.2376 4.2376 5.5750 5.5750 5.7256 5.7256 6.5400 6.5400 6.8577 6.8577 7.9285 7.9285 8.2407 8.2407 8.8194 8.8194 9.2334 9.2334 9.3772 9.3772 9.4471 9.4471 9.6404 9.6404 10.0986 10.0986 10.4707 10.4707 11.7319 11.7319 12.5526 12.5526 13.3748 13.3748 13.7623 13.7623 k = 0.0591 0.0163 0.5988 ( 3776 PWs) bands (ev): -5.9274 -5.9274 -4.9367 -4.9367 -4.1271 -4.1271 -2.9525 -2.9525 2.3821 2.3821 3.1421 3.1421 3.9351 3.9351 4.2779 4.2779 5.5488 5.5488 5.7718 5.7718 6.5303 6.5303 6.8694 6.8694 7.9296 7.9296 8.2101 8.2101 8.8068 8.8068 9.1836 9.1836 9.3678 9.3678 9.4449 9.4449 9.6456 9.6456 10.1027 10.1027 10.5005 10.5005 11.7007 11.7007 12.5542 12.5542 13.3929 13.3929 13.7832 13.7832 k = 0.0789 0.0217 0.5988 ( 3778 PWs) bands (ev): -5.9242 -5.9242 -4.9305 -4.9305 -4.1479 -4.1479 -2.9430 -2.9430 2.3792 2.3792 3.1399 3.1399 3.9194 3.9194 4.3248 4.3248 5.5262 5.5262 5.8219 5.8219 6.5178 6.5178 6.8847 6.8847 7.9289 7.9289 8.1700 8.1700 8.7873 8.7873 9.1325 9.1325 9.3319 9.3319 9.4560 9.4560 9.6505 9.6505 10.1054 10.1054 10.5396 10.5396 11.6626 11.6626 12.5565 12.5565 13.4133 13.4133 13.8185 13.8185 k = 0.0986 0.0271 0.5988 ( 3777 PWs) bands (ev): -5.9202 -5.9202 -4.9226 -4.9226 -4.1732 -4.1732 -2.9320 -2.9320 2.3760 2.3760 3.1346 3.1346 3.9106 3.9106 4.3758 4.3758 5.5071 5.5071 5.8755 5.8755 6.5031 6.5031 6.9029 6.9029 7.9228 7.9228 8.1253 8.1253 8.7591 8.7591 9.0828 9.0828 9.2844 9.2844 9.4690 9.4690 9.6546 9.6546 10.1050 10.1050 10.5860 10.5860 11.6215 11.6215 12.5596 12.5596 13.4337 13.4337 13.8671 13.8671 k = 0.1183 0.0326 0.5988 ( 3781 PWs) bands (ev): -5.9156 -5.9156 -4.9131 -4.9131 -4.2022 -4.2022 -2.9200 -2.9200 2.3725 2.3725 3.1254 3.1254 3.9102 3.9102 4.4300 4.4300 5.4914 5.4914 5.9320 5.9320 6.4870 6.4870 6.9236 6.9236 7.9030 7.9030 8.0854 8.0854 8.7201 8.7201 9.0374 9.0374 9.2315 9.2315 9.4808 9.4808 9.6578 9.6578 10.0999 10.0999 10.6380 10.6380 11.5806 11.5806 12.5639 12.5639 13.4530 13.4530 13.9268 13.9268 k = 0.1380 0.0380 0.5988 ( 3780 PWs) bands (ev): -5.9104 -5.9104 -4.9021 -4.9021 -4.2341 -4.2341 -2.9078 -2.9078 2.3687 2.3687 3.1124 3.1124 3.9186 3.9186 4.4869 4.4869 5.4788 5.4788 5.9907 5.9907 6.4698 6.4698 6.9462 6.9462 7.8602 7.8602 8.0616 8.0616 8.6686 8.6686 8.9976 8.9976 9.1764 9.1764 9.4910 9.4910 9.6602 9.6602 10.0895 10.0895 10.6941 10.6941 11.5422 11.5422 12.5697 12.5697 13.4707 13.4707 13.9945 13.9945 k = 0.1577 0.0434 0.5988 ( 3777 PWs) bands (ev): -5.9048 -5.9048 -4.8898 -4.8898 -4.2677 -4.2677 -2.8959 -2.8959 2.3640 2.3640 3.0966 3.0966 3.9348 3.9348 4.5465 4.5465 5.4690 5.4690 6.0507 6.0507 6.4521 6.4521 6.9703 6.9703 7.7955 7.7955 8.0552 8.0552 8.6047 8.6047 8.9628 8.9628 9.1212 9.1212 9.5000 9.5000 9.6621 9.6621 10.0739 10.0739 10.7528 10.7528 11.5075 11.5075 12.5772 12.5772 13.4869 13.4869 14.0674 14.0674 k = 0.1774 0.0489 0.5988 ( 3767 PWs) bands (ev): -5.8989 -5.8989 -4.8762 -4.8762 -4.3022 -4.3022 -2.8848 -2.8848 2.3578 2.3578 3.0799 3.0799 3.9574 3.9574 4.6091 4.6091 5.4616 5.4616 6.1109 6.1109 6.4341 6.4341 6.9958 6.9958 7.7184 7.7184 8.0596 8.0596 8.5295 8.5295 8.9305 8.9305 9.0688 9.0688 9.5080 9.5080 9.6634 9.6634 10.0536 10.0536 10.8131 10.8131 11.4772 11.4772 12.5867 12.5867 13.5015 13.5015 14.1426 14.1426 k = 0.1972 0.0543 0.5988 ( 3772 PWs) bands (ev): -5.8931 -5.8931 -4.8618 -4.8618 -4.3366 -4.3366 -2.8750 -2.8750 2.3491 2.3491 3.0645 3.0645 3.9842 3.9842 4.6749 4.6749 5.4564 5.4564 6.1699 6.1699 6.4160 6.4160 7.0222 7.0222 7.6372 7.6372 8.0694 8.0694 8.4447 8.4447 8.8961 8.8961 9.0227 9.0227 9.5153 9.5153 9.6642 9.6642 10.0295 10.0295 10.8739 10.8739 11.4510 11.4510 12.5981 12.5981 13.5144 13.5144 14.2175 14.2175 k = 0.2169 0.0597 0.5988 ( 3772 PWs) bands (ev): -5.8874 -5.8874 -4.8467 -4.8467 -4.3698 -4.3698 -2.8669 -2.8669 2.3366 2.3366 3.0526 3.0526 4.0133 4.0133 4.7441 4.7441 5.4530 5.4530 6.2257 6.2257 6.3983 6.3983 7.0493 7.0493 7.5583 7.5583 8.0821 8.0821 8.3523 8.3523 8.8557 8.8557 8.9861 8.9861 9.5220 9.5220 9.6648 9.6648 10.0026 10.0026 10.9342 10.9342 11.4285 11.4285 12.6113 12.6113 13.5252 13.5252 14.2890 14.2890 k = 0.2366 0.0651 0.5988 ( 3772 PWs) bands (ev): -5.8822 -5.8822 -4.8314 -4.8314 -4.4006 -4.4006 -2.8607 -2.8607 2.3194 2.3194 3.0462 3.0462 4.0429 4.0429 4.8162 4.8162 5.4513 5.4513 6.2757 6.2757 6.3812 6.3812 7.0768 7.0768 7.4873 7.4873 8.0953 8.0953 8.2549 8.2549 8.8084 8.8084 8.9594 8.9594 9.5284 9.5284 9.6652 9.6652 9.9742 9.9742 10.9933 10.9933 11.4089 11.4089 12.6261 12.6261 13.5335 13.5335 14.3519 14.3519 k = 0.2563 0.0706 0.5988 ( 3774 PWs) bands (ev): -5.8779 -5.8779 -4.8165 -4.8165 -4.4280 -4.4280 -2.8565 -2.8565 2.2965 2.2965 3.0468 3.0468 4.0716 4.0716 4.8901 4.8901 5.4516 5.4516 6.3160 6.3160 6.3665 6.3665 7.1043 7.1043 7.4297 7.4297 8.0991 8.0991 8.1630 8.1630 8.7565 8.7565 8.9399 8.9399 9.5343 9.5343 9.6654 9.6654 9.9451 9.9451 11.0503 11.0503 11.3915 11.3915 12.6421 12.6421 13.5387 13.5387 14.3969 14.3969 k = 0.2760 0.0760 0.5988 ( 3776 PWs) bands (ev): -5.8746 -5.8746 -4.8027 -4.8027 -4.4505 -4.4505 -2.8545 -2.8545 2.2678 2.2678 3.0548 3.0548 4.0984 4.0984 4.9634 4.9634 5.4554 5.4554 6.3328 6.3328 6.3656 6.3656 7.1317 7.1317 7.3903 7.3903 8.0285 8.0285 8.1424 8.1424 8.7027 8.7027 8.9250 8.9250 9.5396 9.5396 9.6658 9.6658 9.9162 9.9162 11.1044 11.1044 11.3756 11.3756 12.6590 12.6590 13.5405 13.5405 14.4121 14.4121 k = 0.2957 0.0814 0.5988 ( 3779 PWs) bands (ev): -5.8729 -5.8729 -4.7908 -4.7908 -4.4669 -4.4669 -2.8547 -2.8547 2.2333 2.2333 3.0697 3.0697 4.1227 4.1227 5.0310 5.0310 5.4662 5.4662 6.3225 6.3225 6.3807 6.3807 7.1594 7.1594 7.3721 7.3721 7.9220 7.9220 8.1554 8.1554 8.6487 8.6487 8.9129 8.9129 9.5442 9.5442 9.6662 9.6662 9.8882 9.8882 11.1545 11.1545 11.3609 11.3609 12.6764 12.6764 13.5383 13.5383 14.3984 14.3984 k = 0.3155 0.0869 0.5988 ( 3771 PWs) bands (ev): -5.8729 -5.8729 -4.7812 -4.7812 -4.4759 -4.4759 -2.8571 -2.8571 2.1938 2.1938 3.0904 3.0904 4.1444 4.1444 5.0848 5.0848 5.4906 5.4906 6.3076 6.3076 6.3906 6.3906 7.1890 7.1890 7.3750 7.3750 7.8117 7.8117 8.1711 8.1711 8.5958 8.5958 8.9027 8.9027 9.5477 9.5477 9.6667 9.6667 9.8617 9.8617 11.1992 11.1992 11.3477 11.3477 12.6938 12.6938 13.5323 13.5323 14.3706 14.3706 k = 0.3352 0.0923 0.5988 ( 3772 PWs) bands (ev): -5.8751 -5.8751 -4.7743 -4.7743 -4.4771 -4.4771 -2.8615 -2.8615 2.1500 2.1500 3.1148 3.1148 4.1638 4.1638 5.1156 5.1156 5.5365 5.5365 6.2924 6.2924 6.3939 6.3939 7.2220 7.2220 7.3955 7.3955 7.7015 7.7015 8.1866 8.1866 8.5448 8.5448 8.8938 8.8938 9.5499 9.5499 9.6672 9.6672 9.8373 9.8373 11.2350 11.2350 11.3381 11.3381 12.7107 12.7107 13.5225 13.5225 14.3399 14.3399 k = 0.5000 0.1377-0.2679 ( 3774 PWs) bands (ev): -6.0862 -6.0862 -4.7858 -4.7858 -3.8359 -3.8359 -3.1279 -3.1279 1.3343 1.3343 3.5082 3.5082 3.8719 3.8719 5.4155 5.4155 5.5246 5.5246 6.0248 6.0248 6.3565 6.3565 7.5004 7.5004 7.5812 7.5812 8.1634 8.1634 8.8224 8.8224 8.8342 8.8342 9.1085 9.1085 9.3275 9.3275 9.5199 9.5199 10.1720 10.1720 11.3005 11.3005 11.3827 11.3827 12.2908 12.2908 13.1769 13.1769 13.2295 13.2295 k = 0.5054 0.1181-0.2679 ( 3780 PWs) bands (ev): -6.0851 -6.0851 -4.7849 -4.7849 -3.8351 -3.8351 -3.1272 -3.1272 1.3341 1.3341 3.5088 3.5088 3.8725 3.8725 5.4160 5.4160 5.5240 5.5240 6.0155 6.0155 6.3573 6.3573 7.4989 7.4989 7.5794 7.5794 8.1567 8.1567 8.7824 8.7824 8.8656 8.8656 9.1021 9.1021 9.3337 9.3337 9.5189 9.5189 10.1771 10.1771 11.2972 11.2972 11.3693 11.3693 12.3073 12.3073 13.1806 13.1806 13.2433 13.2433 k = 0.5108 0.0986-0.2679 ( 3778 PWs) bands (ev): -6.0815 -6.0815 -4.7822 -4.7822 -3.8325 -3.8325 -3.1252 -3.1252 1.3334 1.3334 3.5106 3.5106 3.8745 3.8745 5.4173 5.4173 5.5223 5.5223 5.9881 5.9881 6.3599 6.3599 7.4944 7.4944 7.5740 7.5740 8.1368 8.1368 8.7256 8.7256 8.8949 8.8949 9.0881 9.0881 9.3494 9.3494 9.5164 9.5164 10.1916 10.1916 11.2701 11.2701 11.3509 11.3509 12.3521 12.3521 13.1913 13.1913 13.2839 13.2839 k = 0.5161 0.0790-0.2679 ( 3774 PWs) bands (ev): -6.0756 -6.0756 -4.7777 -4.7777 -3.8281 -3.8281 -3.1218 -3.1218 1.3322 1.3322 3.5134 3.5134 3.8779 3.8779 5.4194 5.4194 5.5193 5.5193 5.9441 5.9441 6.3642 6.3642 7.4868 7.4868 7.5647 7.5647 8.1040 8.1040 8.6554 8.6554 8.9134 8.9134 9.0776 9.0776 9.3695 9.3695 9.5133 9.5133 10.2135 10.2135 11.2007 11.2007 11.3555 11.3555 12.4152 12.4152 13.2073 13.2073 13.3494 13.3494 k = 0.5215 0.0595-0.2679 ( 3770 PWs) bands (ev): -6.0673 -6.0673 -4.7713 -4.7713 -3.8220 -3.8220 -3.1171 -3.1171 1.3304 1.3304 3.5173 3.5173 3.8826 3.8826 5.4222 5.4222 5.5149 5.5149 5.8855 5.8855 6.3701 6.3701 7.4757 7.4757 7.5510 7.5510 8.0589 8.0589 8.5724 8.5724 8.9127 8.9127 9.0827 9.0827 9.3908 9.3908 9.5111 9.5111 10.2398 10.2398 11.1080 11.1080 11.3735 11.3735 12.4863 12.4863 13.2255 13.2255 13.4367 13.4367 k = 0.5269 0.0399-0.2679 ( 3768 PWs) bands (ev): -6.0566 -6.0566 -4.7632 -4.7632 -3.8142 -3.8142 -3.1111 -3.1111 1.3281 1.3281 3.5221 3.5221 3.8887 3.8887 5.4254 5.4254 5.5088 5.5088 5.8152 5.8152 6.3776 6.3776 7.4608 7.4608 7.5321 7.5321 8.0027 8.0027 8.4791 8.4791 8.8916 8.8916 9.1055 9.1055 9.4120 9.4120 9.5114 9.5114 10.2677 10.2677 11.0047 11.0047 11.3984 11.3984 12.5574 12.5574 13.2419 13.2419 13.5422 13.5422 k = 0.5323 0.0204-0.2679 ( 3768 PWs) bands (ev): -6.0436 -6.0436 -4.7533 -4.7533 -3.8047 -3.8047 -3.1039 -3.1039 1.3250 1.3250 3.5276 3.5276 3.8962 3.8962 5.4281 5.4281 5.5005 5.5005 5.7366 5.7366 6.3864 6.3864 7.4413 7.4413 7.5070 7.5070 7.9363 7.9363 8.3789 8.3789 8.8569 8.8569 9.1376 9.1376 9.4327 9.4327 9.5155 9.5155 10.2944 10.2944 10.8968 10.8968 11.4273 11.4273 12.6222 12.6222 13.2521 13.2521 13.6616 13.6616 k = 0.5377 0.0009-0.2679 ( 3764 PWs) bands (ev): -6.0282 -6.0282 -4.7416 -4.7416 -3.7935 -3.7935 -3.0955 -3.0955 1.3210 1.3210 3.5337 3.5337 3.9051 3.9051 5.4281 5.4281 5.4892 5.4892 5.6551 5.6551 6.3966 6.3966 7.4164 7.4164 7.4742 7.4742 7.8616 7.8616 8.2760 8.2760 8.8145 8.8145 9.1719 9.1719 9.4524 9.4524 9.5248 9.5248 10.3178 10.3178 10.7882 10.7882 11.4572 11.4572 12.6758 12.6758 13.2547 13.2547 13.7859 13.7859 k = 0.5430-0.0187-0.2679 ( 3758 PWs) bands (ev): -6.0105 -6.0105 -4.7283 -4.7283 -3.7807 -3.7807 -3.0859 -3.0859 1.3162 1.3162 3.5401 3.5401 3.9156 3.9156 5.4158 5.4158 5.4758 5.4758 5.5812 5.5812 6.4078 6.4078 7.3847 7.3847 7.4322 7.4322 7.7804 7.7804 8.1745 8.1745 8.7676 8.7676 9.2041 9.2041 9.4701 9.4701 9.5408 9.5408 10.3362 10.3362 10.6815 10.6815 11.4840 11.4840 12.7150 12.7150 13.2528 13.2528 13.8276 13.8276 k = 0.5484-0.0382-0.2679 ( 3752 PWs) bands (ev): -5.9905 -5.9905 -4.7132 -4.7132 -3.7662 -3.7662 -3.0753 -3.0753 1.3102 1.3102 3.5465 3.5465 3.9276 3.9276 5.3684 5.3684 5.4690 5.4690 5.5310 5.5310 6.4197 6.4197 7.3438 7.3438 7.3797 7.3797 7.6954 7.6954 8.0786 8.0786 8.7183 8.7183 9.2323 9.2323 9.4851 9.4851 9.5636 9.5636 10.3485 10.3485 10.5789 10.5789 11.5027 11.5027 12.7381 12.7381 13.2548 13.2548 13.8408 13.8408 k = 0.5538-0.0578-0.2679 ( 3754 PWs) bands (ev): -5.9682 -5.9682 -4.6965 -4.6965 -3.7501 -3.7501 -3.0638 -3.0638 1.3030 1.3030 3.5525 3.5525 3.9414 3.9414 5.2875 5.2875 5.4694 5.4694 5.5035 5.5035 6.4319 6.4319 7.2894 7.2894 7.3174 7.3174 7.6097 7.6097 7.9916 7.9916 8.6679 8.6679 9.2559 9.2559 9.4977 9.4977 9.5916 9.5916 10.3522 10.3522 10.4838 10.4838 11.5083 11.5083 12.7454 12.7454 13.2706 13.2706 13.8637 13.8637 k = 0.5592-0.0773-0.2679 ( 3760 PWs) bands (ev): -5.9435 -5.9435 -4.6782 -4.6782 -3.7324 -3.7324 -3.0514 -3.0514 1.2944 1.2944 3.5577 3.5577 3.9569 3.9569 5.1929 5.1929 5.4690 5.4690 5.4883 5.4883 6.4436 6.4436 7.2169 7.2169 7.2476 7.2476 7.5269 7.5269 7.9158 7.9158 8.6175 8.6175 9.2751 9.2751 9.5089 9.5089 9.6225 9.6225 10.3356 10.3356 10.4089 10.4089 11.4964 11.4964 12.7385 12.7385 13.3087 13.3087 13.8929 13.8929 k = 0.5646-0.0969-0.2679 ( 3760 PWs) bands (ev): -5.9166 -5.9166 -4.6584 -4.6584 -3.7132 -3.7132 -3.0382 -3.0382 1.2842 1.2842 3.5616 3.5616 3.9742 3.9742 5.0942 5.0942 5.4582 5.4582 5.4862 5.4862 6.4535 6.4535 7.1285 7.1285 7.1688 7.1688 7.4500 7.4500 7.8510 7.8510 8.5678 8.5678 9.2905 9.2905 9.5190 9.5190 9.6544 9.6544 10.2749 10.2749 10.3791 10.3791 11.4649 11.4649 12.7203 12.7203 13.3737 13.3737 13.9252 13.9252 k = 0.5699-0.1164-0.2679 ( 3760 PWs) bands (ev): -5.8875 -5.8875 -4.6371 -4.6371 -3.6925 -3.6925 -3.0244 -3.0244 1.2724 1.2724 3.5638 3.5638 3.9936 3.9936 4.9955 4.9955 5.4414 5.4414 5.4895 5.4895 6.4595 6.4595 7.0300 7.0300 7.0806 7.0806 7.3794 7.3794 7.7957 7.7957 8.5194 8.5194 9.3029 9.3029 9.5279 9.5279 9.6855 9.6855 10.1995 10.1995 10.3664 10.3664 11.4142 11.4142 12.6936 12.6936 13.4667 13.4667 13.9591 13.9591 k = 0.5753-0.1359-0.2679 ( 3758 PWs) bands (ev): -5.8561 -5.8561 -4.6143 -4.6143 -3.6703 -3.6703 -3.0102 -3.0102 1.2587 1.2587 3.5636 3.5636 4.0152 4.0152 4.8988 4.8988 5.4222 5.4222 5.4929 5.4929 6.4576 6.4576 6.9259 6.9259 6.9891 6.9891 7.3135 7.3135 7.7477 7.7477 8.4726 8.4726 9.3129 9.3129 9.5356 9.5356 9.7150 9.7150 10.1275 10.1275 10.3537 10.3537 11.3467 11.3467 12.6613 12.6613 13.5854 13.5854 13.9939 13.9939 k = 0.5807-0.1555-0.2679 ( 3760 PWs) bands (ev): -5.8225 -5.8225 -4.5901 -4.5901 -3.6467 -3.6467 -2.9956 -2.9956 1.2431 1.2431 3.5605 3.5605 4.0389 4.0389 4.8055 4.8055 5.4008 5.4008 5.4946 5.4946 6.4415 6.4415 6.8189 6.8189 6.9050 6.9050 7.2502 7.2502 7.7046 7.7046 8.4275 8.4275 9.3211 9.3211 9.5417 9.5417 9.7420 9.7420 10.0626 10.0626 10.3388 10.3388 11.2657 11.2657 12.6258 12.6258 13.7251 13.7251 14.0307 14.0307 k = 0.5861-0.1750-0.2679 ( 3760 PWs) bands (ev): -5.7867 -5.7867 -4.5647 -4.5647 -3.6218 -3.6218 -2.9808 -2.9808 1.2256 1.2256 3.5539 3.5539 4.0649 4.0649 4.7165 4.7165 5.3772 5.3772 5.4936 5.4936 6.4033 6.4033 6.7099 6.7099 6.8414 6.8414 7.1877 7.1877 7.6646 7.6646 8.3842 8.3842 9.3278 9.3278 9.5458 9.5458 9.7657 9.7657 10.0063 10.0063 10.3216 10.3216 11.1748 11.1748 12.5893 12.5893 13.8774 13.8774 14.0738 14.0738 k = 0.5915-0.1946-0.2679 ( 3758 PWs) bands (ev): -5.7487 -5.7487 -4.5381 -4.5381 -3.5956 -3.5956 -2.9660 -2.9660 1.2061 1.2061 3.5432 3.5432 4.0931 4.0931 4.6327 4.6327 5.3511 5.3511 5.4885 5.4885 6.3400 6.3400 6.6002 6.6002 6.8055 6.8055 7.1253 7.1253 7.6262 7.6262 8.3426 8.3426 9.3332 9.3332 9.5478 9.5478 9.7848 9.7848 9.9602 9.9602 10.3025 10.3025 11.0770 11.0770 12.5533 12.5533 14.0142 14.0142 14.1470 14.1470 k = 0.5969-0.2141-0.2679 ( 3760 PWs) bands (ev): -5.7087 -5.7087 -4.5104 -4.5104 -3.5681 -3.5681 -2.9515 -2.9515 1.1847 1.1847 3.5278 3.5278 4.1234 4.1234 4.5546 4.5546 5.3221 5.3221 5.4776 5.4776 6.2583 6.2583 6.4913 6.4913 6.7940 6.7940 7.0627 7.0627 7.5883 7.5883 8.3023 8.3023 9.3376 9.3376 9.5474 9.5474 9.7974 9.7974 9.9264 9.9264 10.2821 10.2821 10.9750 10.9750 12.5190 12.5190 14.0880 14.0880 14.2924 14.2924 k = 0.6022-0.2337-0.2679 ( 3759 PWs) bands (ev): -5.6665 -5.6665 -4.4817 -4.4817 -3.5395 -3.5395 -2.9374 -2.9374 1.1615 1.1615 3.5073 3.5073 4.1555 4.1555 4.4830 4.4830 5.2900 5.2900 5.4586 5.4586 6.1688 6.1688 6.3853 6.3853 6.7987 6.7987 7.0001 7.0001 7.5501 7.5501 8.2633 8.2633 9.3411 9.3411 9.5449 9.5449 9.8009 9.8009 9.9074 9.9074 10.2610 10.2610 10.8713 10.8713 12.4873 12.4873 14.1315 14.1315 14.4686 14.4686 k = 0.6076-0.2532-0.2679 ( 3757 PWs) bands (ev): -5.6224 -5.6224 -4.4522 -4.4522 -3.5098 -3.5098 -2.9240 -2.9240 1.1368 1.1368 3.4812 3.4812 4.1884 4.1884 4.4186 4.4186 5.2543 5.2543 5.4291 5.4291 6.0812 6.0812 6.2839 6.2839 6.8132 6.8132 6.9379 6.9379 7.5111 7.5111 8.2252 8.2252 9.3439 9.3439 9.5408 9.5408 9.7956 9.7956 9.9023 9.9023 10.2399 10.2399 10.7675 10.7675 12.4590 12.4590 14.1687 14.1687 14.6299 14.6299 k = 0.6130-0.2727-0.2679 ( 3765 PWs) bands (ev): -5.5762 -5.5762 -4.4220 -4.4220 -3.4791 -3.4791 -2.9114 -2.9114 1.1108 1.1108 3.4491 3.4491 4.2192 4.2192 4.3642 4.3642 5.2145 5.2145 5.3865 5.3865 6.0018 6.0018 6.1886 6.1886 6.8327 6.8327 6.8775 6.8775 7.4707 7.4707 8.1879 8.1879 9.3460 9.3460 9.5359 9.5359 9.7863 9.7863 9.9050 9.9050 10.2196 10.2196 10.6653 10.6653 12.4345 12.4345 14.2042 14.2042 14.7257 14.7257 k = 0.6184-0.2923-0.2679 ( 3771 PWs) bands (ev): -5.5280 -5.5280 -4.3912 -4.3912 -3.4475 -3.4475 -2.9000 -2.9000 1.0840 1.0840 3.4110 3.4110 4.2355 4.2355 4.3318 4.3318 5.1703 5.1703 5.3298 5.3298 5.9342 5.9342 6.1008 6.1008 6.8135 6.8135 6.8608 6.8608 7.4288 7.4288 8.1513 8.1513 9.3476 9.3476 9.5314 9.5314 9.7772 9.7772 9.9102 9.9102 10.2006 10.2006 10.5661 10.5661 12.4140 12.4140 14.2394 14.2394 14.7444 14.7444 k = 0.6238-0.3118-0.2679 ( 3771 PWs) bands (ev): -5.4780 -5.4780 -4.3600 -4.3600 -3.4151 -3.4151 -2.8899 -2.8899 1.0568 1.0568 3.3665 3.3665 4.2159 4.2159 4.3416 4.3416 5.1212 5.1212 5.2604 5.2604 5.8786 5.8786 6.0218 6.0218 6.7562 6.7562 6.8866 6.8866 7.3852 7.3852 8.1153 8.1153 9.3488 9.3488 9.5282 9.5282 9.7699 9.7699 9.9149 9.9149 10.1838 10.1838 10.4713 10.4713 12.3978 12.3978 14.2749 14.2749 14.7282 14.7282 k = 0.6291-0.3314-0.2679 ( 3769 PWs) bands (ev): -5.4261 -5.4261 -4.3287 -4.3287 -3.3819 -3.3819 -2.8814 -2.8814 1.0298 1.0298 3.3159 3.3159 4.1778 4.1778 4.3751 4.3751 5.0674 5.0674 5.1818 5.1818 5.8326 5.8326 5.9523 5.9523 6.7004 6.7004 6.9145 6.9145 7.3399 7.3399 8.0800 8.0800 9.3496 9.3496 9.5271 9.5271 9.7645 9.7645 9.9177 9.9177 10.1693 10.1693 10.3824 10.3824 12.3858 12.3858 14.3109 14.3109 14.7003 14.7003 k = 0.6345-0.3509-0.2679 ( 3771 PWs) bands (ev): -5.3725 -5.3725 -4.2974 -4.2974 -3.3481 -3.3481 -2.8746 -2.8746 1.0035 1.0035 3.2593 3.2593 4.1368 4.1368 4.4148 4.4148 5.0094 5.0094 5.0987 5.0987 5.7924 5.7924 5.8928 5.8928 6.6476 6.6476 6.9430 6.9430 7.2933 7.2933 8.0455 8.0455 9.3501 9.3501 9.5287 9.5287 9.7610 9.7610 9.9179 9.9179 10.1566 10.1566 10.3013 10.3013 12.3780 12.3780 14.3473 14.3473 14.6683 14.6683 k = 0.6399-0.3705-0.2679 ( 3771 PWs) bands (ev): -5.3171 -5.3171 -4.2665 -4.2665 -3.3137 -3.3137 -2.8698 -2.8698 0.9787 0.9787 3.1969 3.1969 4.0953 4.0953 4.4552 4.4552 4.9488 4.9488 5.0158 5.0158 5.7546 5.7546 5.8431 5.8431 6.5987 6.5987 6.9703 6.9703 7.2463 7.2463 8.0119 8.0119 9.3504 9.3504 9.5330 9.5330 9.7591 9.7591 9.9155 9.9155 10.1420 10.1420 10.2331 10.2331 12.3742 12.3742 14.3835 14.3835 14.6351 14.6351 k = 0.6453-0.3900-0.2679 ( 3779 PWs) bands (ev): -5.2601 -5.2601 -4.2361 -4.2361 -3.2790 -3.2790 -2.8671 -2.8671 0.9559 0.9559 3.1293 3.1293 4.0527 4.0527 4.4923 4.4923 4.8890 4.8890 4.9375 4.9375 5.7170 5.7170 5.8012 5.8012 6.5545 6.5545 6.9935 6.9935 7.2017 7.2017 7.9796 7.9796 9.3503 9.3503 9.5398 9.5398 9.7587 9.7587 9.9107 9.9107 10.1134 10.1134 10.1909 10.1909 12.3741 12.3741 14.4182 14.4182 14.6029 14.6029 k = 0.6507-0.4096-0.2679 ( 3781 PWs) bands (ev): -5.2015 -5.2015 -4.2067 -4.2067 -3.2440 -3.2440 -2.8667 -2.8667 0.9358 0.9358 3.0568 3.0568 4.0077 4.0077 4.5192 4.5192 4.8358 4.8358 4.8684 4.8684 5.6790 5.6790 5.7645 5.7645 6.5159 6.5159 7.0050 7.0050 7.1667 7.1667 7.9487 7.9487 9.3499 9.3499 9.5486 9.5486 9.7598 9.7598 9.9041 9.9041 10.0686 10.0686 10.1778 10.1778 12.3774 12.3774 14.4463 14.4463 14.5768 14.5768 k = 0.6560-0.4291-0.2679 ( 3773 PWs) bands (ev): -5.1414 -5.1414 -4.1786 -4.1786 -3.2089 -3.2089 -2.8684 -2.8684 0.9190 0.9190 2.9802 2.9802 3.9587 3.9587 4.5247 4.5247 4.7896 4.7896 4.8229 4.8229 5.6404 5.6404 5.7300 5.7300 6.4839 6.4839 6.9919 6.9919 7.1543 7.1543 7.9195 7.9195 9.3490 9.3490 9.5585 9.5585 9.7623 9.7623 9.8959 9.8959 10.0253 10.0253 10.1774 10.1774 12.3838 12.3838 14.4539 14.4539 14.5706 14.5706 k = 0.6614-0.4486-0.2679 ( 3775 PWs) bands (ev): -5.0800 -5.0800 -4.1522 -4.1522 -3.1737 -3.1737 -2.8723 -2.8723 0.9061 0.9061 2.8999 2.8999 3.9045 3.9045 4.4999 4.4999 4.7421 4.7421 4.8208 4.8208 5.6009 5.6009 5.6954 5.6954 6.4594 6.4594 6.9523 6.9523 7.1662 7.1662 7.8922 7.8922 9.3476 9.3476 9.5680 9.5680 9.7657 9.7657 9.8873 9.8873 9.9922 9.9922 10.1822 10.1822 12.3929 12.3929 14.4327 14.4327 14.5924 14.5924 k = 0.6668-0.4682-0.2679 ( 3779 PWs) bands (ev): -5.0173 -5.0173 -4.1280 -4.1280 -3.1386 -3.1386 -2.8783 -2.8783 0.8976 0.8976 2.8167 2.8167 3.8447 3.8447 4.4505 4.4505 4.7023 4.7023 4.8482 4.8482 5.5598 5.5598 5.6596 5.6596 6.4431 6.4431 6.8980 6.8980 7.1908 7.1908 7.8670 7.8670 9.3455 9.3455 9.5758 9.5758 9.7679 9.7679 9.8817 9.8817 9.9718 9.9718 10.1901 10.1901 12.4043 12.4043 14.3955 14.3955 14.6290 14.6290 k = 0.6722-0.4877-0.2679 ( 3781 PWs) bands (ev): -4.9535 -4.9535 -4.1065 -4.1065 -3.1039 -3.1039 -2.8860 -2.8860 0.8940 0.8940 2.7312 2.7312 3.7796 3.7796 4.3882 4.3882 4.6735 4.6735 4.8905 4.8905 5.5171 5.5171 5.6219 5.6219 6.4353 6.4353 6.8366 6.8366 7.2207 7.2207 7.8441 7.8441 9.3428 9.3428 9.5810 9.5810 9.7661 9.7661 9.8849 9.8849 9.9631 9.9631 10.2002 10.2002 12.4174 12.4174 14.3513 14.3513 14.6713 14.6713 k = 0.6776-0.5073-0.2679 ( 3775 PWs) bands (ev): -4.8886 -4.8886 -4.0882 -4.0882 -3.0695 -3.0695 -2.8952 -2.8952 0.8957 0.8957 2.6441 2.6441 3.7105 3.7105 4.3205 4.3205 4.6549 4.6549 4.9392 4.9392 5.4731 5.4731 5.5819 5.5819 6.4361 6.4361 6.7713 6.7713 7.2529 7.2529 7.8235 7.8235 9.3392 9.3392 9.5832 9.5832 9.7596 9.7596 9.9005 9.9005 9.9642 9.9642 10.2122 10.2122 12.4319 12.4319 14.3032 14.3032 14.7160 14.7160 k = 0.6829-0.5268-0.2679 ( 3769 PWs) bands (ev): -4.8228 -4.8228 -4.0738 -4.0738 -3.0356 -3.0356 -2.9055 -2.9055 0.9028 0.9028 2.5558 2.5558 3.6386 3.6386 4.2510 4.2510 4.6450 4.6450 4.9889 4.9889 5.4297 5.4297 5.5398 5.5398 6.4451 6.4451 6.7040 6.7040 7.2862 7.2862 7.8055 7.8055 9.3347 9.3347 9.5827 9.5827 9.7506 9.7506 9.9262 9.9262 9.9746 9.9746 10.2258 10.2258 12.4472 12.4472 14.2522 14.2522 14.7617 14.7617 k = 0.6883-0.5464-0.2679 ( 3765 PWs) bands (ev): -4.7563 -4.7563 -4.0639 -4.0639 -3.0025 -3.0025 -2.9163 -2.9163 0.9155 0.9155 2.4671 2.4671 3.5657 3.5657 4.1819 4.1819 4.6418 4.6418 5.0335 5.0335 5.3913 5.3913 5.4958 5.4958 6.4616 6.4616 6.6360 6.6360 7.3199 7.3199 7.7899 7.7899 9.3291 9.3291 9.5803 9.5803 9.7414 9.7414 9.9561 9.9561 9.9968 9.9968 10.2410 10.2410 12.4628 12.4628 14.1993 14.1993 14.8074 14.8074 k = 0.6937-0.5659-0.2679 ( 3767 PWs) bands (ev): -4.6892 -4.6892 -4.0590 -4.0590 -2.9702 -2.9702 -2.9271 -2.9271 0.9340 0.9340 2.3784 2.3784 3.4931 3.4931 4.1144 4.1144 4.6431 4.6431 5.0635 5.0635 5.3669 5.3669 5.4504 5.4504 6.4832 6.4832 6.5700 6.5700 7.3536 7.3536 7.7768 7.7768 9.3225 9.3225 9.5771 9.5771 9.7331 9.7331 9.9850 9.9850 10.0336 10.0336 10.2577 10.2577 12.4782 12.4782 14.1451 14.1451 14.8519 14.8519 k = 0.6991-0.5854-0.2679 ( 3763 PWs) bands (ev): -4.6217 -4.6217 -4.0598 -4.0598 -2.9391 -2.9391 -2.9373 -2.9373 0.9581 0.9581 2.2902 2.2902 3.4223 3.4223 4.0496 4.0496 4.6467 4.6467 5.0667 5.0667 5.3682 5.3682 5.4045 5.4045 6.4830 6.4830 6.5334 6.5334 7.3870 7.3870 7.7663 7.7663 9.3149 9.3149 9.5737 9.5737 9.7259 9.7259 10.0143 10.0143 10.0821 10.0821 10.2762 10.2762 12.4931 12.4931 14.0900 14.0900 14.8939 14.8939 k = 0.7045-0.6050-0.2679 ( 3763 PWs) bands (ev): -4.5540 -4.5540 -4.0666 -4.0666 -2.9467 -2.9467 -2.9087 -2.9087 0.9878 0.9878 2.2030 2.2030 3.3542 3.3542 3.9878 3.9878 4.6504 4.6504 5.0403 5.0403 5.3563 5.3563 5.4009 5.4009 6.4263 6.4263 6.5613 6.5613 7.4200 7.4200 7.7583 7.7583 9.3062 9.3062 9.5705 9.5705 9.7195 9.7195 10.0473 10.0473 10.1378 10.1378 10.2966 10.2966 12.5067 12.5067 14.0348 14.0348 14.9320 14.9320 k = 0.7098-0.6245-0.2679 ( 3767 PWs) bands (ev): -4.4863 -4.4863 -4.0799 -4.0799 -2.9546 -2.9546 -2.8797 -2.8797 1.0229 1.0229 2.1173 2.1173 3.2898 3.2898 3.9297 3.9297 4.6521 4.6521 4.9939 4.9939 5.3105 5.3105 5.4519 5.4519 6.3655 6.3655 6.6021 6.6021 7.4523 7.4523 7.7527 7.7527 9.2966 9.2966 9.5676 9.5676 9.7137 9.7137 10.0851 10.0851 10.1986 10.1986 10.3191 10.3191 12.5189 12.5189 13.9800 13.9800 14.9641 14.9641 k = 0.7152-0.6441-0.2679 ( 3769 PWs) bands (ev): -4.4189 -4.4189 -4.0997 -4.0997 -2.9608 -2.9608 -2.8521 -2.8521 1.0630 1.0630 2.0334 2.0334 3.2300 3.2300 3.8756 3.8756 4.6497 4.6497 4.9370 4.9370 5.2650 5.2650 5.5143 5.5143 6.3088 6.3088 6.6483 6.6483 7.4838 7.4838 7.7496 7.7496 9.2862 9.2862 9.5651 9.5651 9.7084 9.7084 10.1280 10.1280 10.2627 10.2627 10.3448 10.3448 12.5291 12.5291 13.9261 13.9261 14.9880 14.9880 k = 0.7206-0.6636-0.2679 ( 3769 PWs) bands (ev): -4.3519 -4.3519 -4.1261 -4.1261 -2.9653 -2.9653 -2.8260 -2.8260 1.1079 1.1079 1.9518 1.9518 3.1754 3.1754 3.8255 3.8255 4.6417 4.6417 4.8749 4.8749 5.2204 5.2204 5.5831 5.5831 6.2587 6.2587 6.6989 6.6989 7.5143 7.5143 7.7488 7.7488 9.2751 9.2751 9.5628 9.5628 9.7033 9.7033 10.1757 10.1757 10.3264 10.3264 10.3767 10.3767 12.5371 12.5371 13.8738 13.8738 15.0012 15.0012 k = 0.7260-0.6832-0.2679 ( 3763 PWs) bands (ev): -4.2857 -4.2857 -4.1588 -4.1588 -2.9681 -2.9681 -2.8013 -2.8013 1.1572 1.1572 1.8728 1.8728 3.1267 3.1267 3.7798 3.7798 4.6267 4.6267 4.8106 4.8106 5.1762 5.1762 5.6557 5.6557 6.2171 6.2171 6.7531 6.7531 7.5436 7.5436 7.7503 7.7503 9.2635 9.2635 9.5606 9.5606 9.6983 9.6983 10.2278 10.2278 10.3779 10.3779 10.4267 10.4267 12.5426 12.5426 13.8235 13.8235 15.0008 15.0008 k = 0.2740-0.9952-0.0000 ( 3763 PWs) bands (ev): -4.2857 -4.2857 -4.1588 -4.1588 -2.9681 -2.9681 -2.8013 -2.8013 1.1572 1.1572 1.8728 1.8728 3.1267 3.1267 3.7798 3.7798 4.6267 4.6267 4.8106 4.8106 5.1762 5.1762 5.6557 5.6557 6.2171 6.2171 6.7531 6.7531 7.5436 7.5436 7.7503 7.7503 9.2635 9.2635 9.5606 9.5606 9.6983 9.6983 10.2278 10.2278 10.3779 10.3779 10.4267 10.4267 12.5426 12.5426 13.8235 13.8235 15.0008 15.0008 k = 0.2686-0.9757-0.0000 ( 3763 PWs) bands (ev): -4.2206 -4.2206 -4.1975 -4.1975 -2.9695 -2.9695 -2.7783 -2.7783 1.2102 1.2102 1.7969 1.7969 3.0844 3.0844 3.7384 3.7384 4.6045 4.6045 4.7461 4.7461 5.1315 5.1315 5.7308 5.7308 6.1860 6.1860 6.8103 6.8103 7.5717 7.5717 7.7541 7.7541 9.2513 9.2513 9.5583 9.5583 9.6933 9.6933 10.2835 10.2835 10.4158 10.4158 10.4959 10.4959 12.5454 12.5454 13.7758 13.7758 14.9757 14.9757 k = 0.2633-0.9562 0.0000 ( 3769 PWs) bands (ev): -4.2416 -4.2416 -4.1569 -4.1569 -2.9699 -2.9699 -2.7570 -2.7570 1.2666 1.2666 1.7242 1.7242 3.0492 3.0492 3.7012 3.7012 4.5752 4.5752 4.6827 4.6827 5.0849 5.0849 5.8076 5.8076 6.1665 6.1665 6.8701 6.8701 7.5984 7.5984 7.7601 7.7601 9.2387 9.2387 9.5559 9.5559 9.6879 9.6879 10.3414 10.3414 10.4526 10.4526 10.5726 10.5726 12.5454 12.5454 13.7310 13.7310 14.9156 14.9156 k = 0.2579-0.9367 0.0000 ( 3771 PWs) bands (ev): -4.2907 -4.2907 -4.0949 -4.0949 -2.9695 -2.9695 -2.7373 -2.7373 1.3256 1.3256 1.6551 1.6551 3.0214 3.0214 3.6681 3.6681 4.5399 4.5399 4.6217 4.6217 5.0350 5.0350 5.8855 5.8855 6.1597 6.1597 6.9321 6.9321 7.6238 7.6238 7.7682 7.7682 9.2257 9.2257 9.5531 9.5531 9.6824 9.6824 10.3993 10.3993 10.4935 10.4935 10.6529 10.6529 12.5427 12.5427 13.6897 13.6897 14.8459 14.8459 k = 0.2525-0.9172-0.0000 ( 3769 PWs) bands (ev): -4.3442 -4.3442 -4.0349 -4.0349 -2.9690 -2.9690 -2.7192 -2.7192 1.3867 1.3867 1.5899 1.5899 3.0014 3.0014 3.6386 3.6386 4.4998 4.4998 4.5642 4.5642 4.9808 4.9808 5.9639 5.9639 6.1656 6.1656 6.9960 6.9960 7.6479 7.6479 7.7783 7.7783 9.2124 9.2124 9.5502 9.5502 9.6765 9.6765 10.4537 10.4537 10.5422 10.5422 10.7356 10.7356 12.5374 12.5374 13.6523 13.6523 14.7733 14.7733 k = 0.2471-0.8976-0.0000 ( 3763 PWs) bands (ev): -4.4013 -4.4013 -3.9773 -3.9773 -2.9686 -2.9686 -2.7028 -2.7028 1.4489 1.4489 1.5289 1.5289 2.9899 2.9899 3.6123 3.6123 4.4564 4.4564 4.5113 4.5113 4.9219 4.9219 6.0420 6.0420 6.1843 6.1843 7.0614 7.0614 7.6708 7.6708 7.7903 7.7903 9.1990 9.1990 9.5468 9.5468 9.6702 9.6702 10.5022 10.5022 10.6009 10.6009 10.8202 10.8202 12.5297 12.5297 13.6190 13.6190 14.6989 14.6989 k = 0.2418-0.8781 0.0000 ( 3773 PWs) bands (ev): -4.4617 -4.4617 -3.9225 -3.9225 -2.9688 -2.9688 -2.6879 -2.6879 1.4711 1.4711 1.5129 1.5129 2.9870 2.9870 3.5887 3.5887 4.4115 4.4115 4.4640 4.4640 4.8584 4.8584 6.1183 6.1183 6.2157 6.2157 7.1280 7.1280 7.6927 7.6927 7.8040 7.8040 9.1853 9.1853 9.5431 9.5431 9.6633 9.6633 10.5456 10.5456 10.6681 10.6681 10.9059 10.9059 12.5199 12.5199 13.5903 13.5903 14.6232 14.6232 k = 0.2364-0.8586 0.0000 ( 3769 PWs) bands (ev): -4.5247 -4.5247 -3.8708 -3.8708 -2.9700 -2.9700 -2.6745 -2.6745 1.4195 1.4195 1.5750 1.5750 2.9932 2.9932 3.5670 3.5670 4.3670 4.3670 4.4228 4.4228 4.7908 4.7908 6.1897 6.1897 6.2612 6.2612 7.1954 7.1954 7.7138 7.7138 7.8193 7.8193 9.1715 9.1715 9.5389 9.5389 9.6560 9.6560 10.5862 10.5862 10.7407 10.7407 10.9924 10.9924 12.5084 12.5084 13.5664 13.5664 14.5464 14.5464 k = 0.2310-0.8391 0.0000 ( 3763 PWs) bands (ev): -4.5899 -4.5899 -3.8225 -3.8225 -2.9725 -2.9725 -2.6626 -2.6626 1.3722 1.3722 1.6363 1.6363 3.0088 3.0088 3.5464 3.5464 4.3245 4.3245 4.3889 4.3889 4.7197 4.7197 6.2531 6.2531 6.3224 6.3224 7.2632 7.2632 7.7343 7.7343 7.8362 7.8362 9.1578 9.1578 9.5343 9.5343 9.6481 9.6481 10.6254 10.6254 10.8168 10.8168 11.0789 11.0789 12.4959 12.4959 13.5476 13.5476 14.4689 14.4689 k = 0.2257-0.8196-0.0000 ( 3769 PWs) bands (ev): -4.6567 -4.6567 -3.7780 -3.7780 -2.9764 -2.9764 -2.6520 -2.6520 1.3298 1.3298 1.6956 1.6956 3.0339 3.0339 3.5262 3.5262 4.2850 4.2850 4.3634 4.3634 4.6461 4.6461 6.3110 6.3110 6.3948 6.3948 7.3311 7.3311 7.7547 7.7547 7.8544 7.8544 9.1441 9.1441 9.5292 9.5292 9.6396 9.6396 10.6637 10.6637 10.8949 10.8949 11.1647 11.1647 12.4830 12.4830 13.5340 13.5340 14.3909 14.3909 k = 0.2203-0.8001 0.0000 ( 3769 PWs) bands (ev): -4.7248 -4.7248 -3.7377 -3.7377 -2.9821 -2.9821 -2.6426 -2.6426 1.2924 1.2924 1.7518 1.7518 3.0685 3.0685 3.5058 3.5058 4.2497 4.2497 4.3474 4.3474 4.5706 4.5706 6.3682 6.3682 6.4720 6.4720 7.3987 7.3987 7.7751 7.7751 7.8742 7.8742 9.1305 9.1305 9.5236 9.5236 9.6307 9.6307 10.7013 10.7013 10.9740 10.9740 11.2489 11.2489 12.4705 12.4705 13.5258 13.5258 14.3128 14.3128 k = 0.2149-0.7806-0.0000 ( 3771 PWs) bands (ev): -4.7938 -4.7938 -3.7017 -3.7017 -2.9897 -2.9897 -2.6344 -2.6344 1.2602 1.2602 1.8043 1.8043 3.1125 3.1125 3.4848 3.4848 4.2195 4.2195 4.3416 4.3416 4.4944 4.4944 6.4264 6.4264 6.5511 6.5511 7.4653 7.4653 7.7958 7.7958 7.8957 7.8957 9.1172 9.1172 9.5174 9.5174 9.6213 9.6213 10.7380 10.7380 11.0536 11.0536 11.3303 11.3303 12.4595 12.4595 13.5229 13.5229 14.2348 14.2348 k = 0.2095-0.7610 0.0000 ( 3771 PWs) bands (ev): -4.8634 -4.8634 -3.6703 -3.6703 -2.9992 -2.9992 -2.6274 -2.6274 1.2332 1.2332 1.8522 1.8522 3.1652 3.1652 3.4631 3.4631 4.1953 4.1953 4.3454 4.3454 4.4193 4.4193 6.4855 6.4855 6.6305 6.6305 7.5305 7.5305 7.8172 7.8172 7.9191 7.9191 9.1043 9.1043 9.5106 9.5106 9.6115 9.6115 10.7736 10.7736 11.1330 11.1330 11.4075 11.4075 12.4513 12.4513 13.5253 13.5253 14.1572 14.1572 k = 0.2042-0.7415-0.0000 ( 3777 PWs) bands (ev): -4.9332 -4.9332 -3.6436 -3.6436 -3.0106 -3.0106 -2.6215 -2.6215 1.2112 1.2112 1.8949 1.8949 3.2260 3.2260 3.4413 3.4413 4.1776 4.1776 4.3320 4.3320 4.3733 4.3733 6.5449 6.5449 6.7099 6.7099 7.5934 7.5934 7.8396 7.8396 7.9450 7.9450 9.0920 9.0920 9.5032 9.5032 9.6013 9.6013 10.8079 10.8079 11.2117 11.2117 11.4787 11.4787 12.4474 12.4474 13.5324 13.5324 14.0805 14.0805 k = 0.1988-0.7220 0.0000 ( 3781 PWs) bands (ev): -5.0031 -5.0031 -3.6216 -3.6216 -3.0240 -3.0240 -2.6167 -2.6167 1.1941 1.1941 1.9319 1.9319 3.2933 3.2933 3.4207 3.4207 4.1647 4.1647 4.2661 4.2661 4.3952 4.3952 6.6039 6.6039 6.7887 6.7887 7.6530 7.6530 7.8632 7.8632 7.9740 7.9740 9.0805 9.0805 9.4952 9.4952 9.5909 9.5909 10.8406 10.8406 11.2893 11.2893 11.5420 11.5420 12.4492 12.4492 13.5440 13.5440 14.0052 14.0052 k = 0.1934-0.7025-0.0000 ( 3783 PWs) bands (ev): -5.0727 -5.0727 -3.6043 -3.6043 -3.0393 -3.0393 -2.6130 -2.6130 1.1817 1.1817 1.9629 1.9629 3.3589 3.3589 3.4089 3.4089 4.1409 4.1409 4.2171 4.2171 4.4320 4.4320 6.6616 6.6616 6.8668 6.8668 7.7085 7.7085 7.8883 7.8883 8.0067 8.0067 9.0698 9.0698 9.4864 9.4864 9.5803 9.5803 10.8714 10.8714 11.3653 11.3653 11.5953 11.5953 12.4585 12.4585 13.5592 13.5592 13.9319 13.9319 k = 0.1880-0.6830 0.0000 ( 3785 PWs) bands (ev): -5.1418 -5.1418 -3.5916 -3.5916 -3.0564 -3.0564 -2.6106 -2.6106 1.1737 1.1737 1.9875 1.9875 3.3699 3.3699 3.4588 3.4588 4.0833 4.0833 4.2143 4.2143 4.4789 4.4789 6.7173 6.7173 6.9439 6.9439 7.7587 7.7587 7.9152 7.9152 8.0440 8.0440 9.0603 9.0603 9.4768 9.4768 9.5696 9.5696 10.9002 10.9002 11.4395 11.4395 11.6371 11.6371 12.4760 12.4760 13.5770 13.5770 13.8615 13.8615 k = 0.1827-0.6635-0.0000 ( 3785 PWs) bands (ev): -5.2103 -5.2103 -3.5833 -3.5833 -3.0753 -3.0753 -2.6094 -2.6094 1.1696 1.1696 2.0056 2.0056 3.3566 3.3566 3.5395 3.5395 4.0124 4.0124 4.2387 4.2387 4.5349 4.5349 6.7703 6.7703 7.0200 7.0200 7.8032 7.8032 7.9437 7.9437 8.0862 8.0862 9.0523 9.0523 9.4666 9.4666 9.5590 9.5590 10.9267 10.9267 11.5113 11.5113 11.6664 11.6664 12.5016 12.5016 13.5963 13.5963 13.7950 13.7950 k = 0.1773-0.6440 0.0000 ( 3781 PWs) bands (ev): -5.2779 -5.2779 -3.5791 -3.5791 -3.0957 -3.0957 -2.6095 -2.6095 1.1690 1.1690 2.0174 2.0174 3.3449 3.3449 3.6245 3.6245 3.9398 3.9398 4.2805 4.2805 4.5991 4.5991 6.8202 6.8202 7.0948 7.0948 7.8422 7.8422 7.9735 7.9735 8.1333 8.1333 9.0459 9.0459 9.4556 9.4556 9.5484 9.5484 10.9509 10.9509 11.5800 11.5800 11.6841 11.6841 12.5338 12.5338 13.6155 13.6155 13.7341 13.7341 k = 0.1719-0.6245-0.0000 ( 3775 PWs) bands (ev): -5.3446 -5.3446 -3.5788 -3.5788 -3.1176 -3.1176 -2.6111 -2.6111 1.1711 1.1711 2.0229 2.0229 3.3377 3.3377 3.7099 3.7099 3.8689 3.8689 4.3381 4.3381 4.6709 4.6709 6.8664 6.8664 7.1683 7.1683 7.8766 7.8766 8.0040 8.0040 8.1847 8.1847 9.0416 9.0416 9.4438 9.4438 9.5380 9.5380 10.9726 10.9726 11.6409 11.6409 11.6959 11.6959 12.5692 12.5692 13.6326 13.6326 13.6812 13.6812 k = 0.1666-0.6049 0.0000 ( 3773 PWs) bands (ev): -5.4102 -5.4102 -3.5821 -3.5821 -3.1408 -3.1408 -2.6142 -2.6142 1.1754 1.1754 2.0224 2.0224 3.3361 3.3361 3.7720 3.7720 3.8231 3.8231 4.4111 4.4111 4.7496 4.7496 6.9089 6.9089 7.2402 7.2402 7.9074 7.9074 8.0347 8.0347 8.2392 8.2392 9.0397 9.0397 9.4314 9.4314 9.5277 9.5277 10.9918 10.9918 11.6660 11.6660 11.7315 11.7315 12.6033 12.6033 13.6321 13.6321 13.6534 13.6534 k = 0.1612-0.5854-0.0000 ( 3763 PWs) bands (ev): -5.4745 -5.4745 -3.5885 -3.5885 -3.1650 -3.1650 -2.6188 -2.6188 1.1811 1.1811 2.0165 2.0165 3.3411 3.3411 3.7188 3.7188 3.8948 3.8948 4.4985 4.4985 4.8346 4.8346 6.9476 6.9476 7.3105 7.3105 7.9356 7.9356 8.0652 8.0652 8.2960 8.2960 9.0404 9.0404 9.4183 9.4183 9.5176 9.5176 11.0084 11.0084 11.6572 11.6572 11.7907 11.7907 12.6310 12.6310 13.6045 13.6045 13.6620 13.6620 k = 0.1558-0.5659 0.0000 ( 3763 PWs) bands (ev): -5.5375 -5.5375 -3.5977 -3.5977 -3.1903 -3.1903 -2.6249 -2.6249 1.1875 1.1875 2.0056 2.0056 3.3533 3.3533 3.6521 3.6521 3.9827 3.9827 4.5989 4.5989 4.9254 4.9254 6.9825 6.9825 7.3789 7.3789 7.9618 7.9618 8.0949 8.0949 8.3540 8.3540 9.0441 9.0441 9.4047 9.4047 9.5076 9.5076 11.0226 11.0226 11.6376 11.6376 11.8525 11.8525 12.6468 12.6468 13.5909 13.5909 13.6686 13.6686 k = 0.1504-0.5464-0.0000 ( 3765 PWs) bands (ev): -5.5990 -5.5990 -3.6093 -3.6093 -3.2163 -3.2163 -2.6325 -2.6325 1.1940 1.1940 1.9903 1.9903 3.3727 3.3727 3.5870 3.5870 4.0729 4.0729 4.7109 4.7109 5.0215 5.0215 7.0140 7.0140 7.4452 7.4452 7.9865 7.9865 8.1232 8.1232 8.4126 8.4126 9.0510 9.0510 9.3907 9.3907 9.4978 9.4978 11.0344 11.0344 11.6117 11.6117 11.9139 11.9139 12.6468 12.6468 13.5952 13.5952 13.6710 13.6710 k = 0.1451-0.5269 0.0000 ( 3757 PWs) bands (ev): -5.6589 -5.6589 -3.6231 -3.6231 -3.2428 -3.2428 -2.6415 -2.6415 1.1998 1.1998 1.9712 1.9712 3.3977 3.3977 3.5267 3.5267 4.1653 4.1653 4.8325 4.8325 5.1224 5.1224 7.0425 7.0425 7.5093 7.5093 8.0102 8.0102 8.1498 8.1498 8.4713 8.4713 9.0614 9.0614 9.3766 9.3766 9.4882 9.4882 11.0437 11.0437 11.5812 11.5812 11.9748 11.9748 12.6293 12.6293 13.6163 13.6163 13.6707 13.6707 k = 0.1397-0.5074-0.0000 ( 3759 PWs) bands (ev): -5.7173 -5.7173 -3.6387 -3.6387 -3.2699 -3.2699 -2.6518 -2.6518 1.2044 1.2044 1.9490 1.9490 3.4122 3.4122 3.4880 3.4880 4.2598 4.2598 4.9624 4.9624 5.2276 5.2276 7.0687 7.0687 7.5707 7.5707 8.0332 8.0332 8.1740 8.1740 8.5298 8.5298 9.0752 9.0752 9.3623 9.3623 9.4788 9.4788 11.0508 11.0508 11.5471 11.5471 12.0353 12.0353 12.5947 12.5947 13.6402 13.6402 13.6796 13.6796 k = 0.1343-0.4879-0.0000 ( 3759 PWs) bands (ev): -5.7738 -5.7738 -3.6557 -3.6557 -3.2971 -3.2971 -2.6633 -2.6633 1.2074 1.2074 1.9243 1.9243 3.3767 3.3767 3.5105 3.5105 4.3567 4.3567 5.0989 5.0989 5.3367 5.3367 7.0931 7.0931 7.6289 7.6289 8.0559 8.0559 8.1954 8.1954 8.5878 8.5878 9.0922 9.0922 9.3481 9.3481 9.4697 9.4697 11.0556 11.0556 11.5101 11.5101 12.0954 12.0954 12.5454 12.5454 13.6385 13.6385 13.7229 13.7229 k = 0.1289-0.4683 0.0000 ( 3757 PWs) bands (ev): -5.8287 -5.8287 -3.6738 -3.6738 -3.3245 -3.3245 -2.6760 -2.6760 1.2085 1.2085 1.8976 1.8976 3.3225 3.3225 3.5635 3.5635 4.4558 4.4558 5.2408 5.2408 5.4492 5.4492 7.1165 7.1165 7.6833 7.6833 8.0789 8.0789 8.2139 8.2139 8.6451 8.6451 9.1119 9.1119 9.3345 9.3345 9.4608 9.4608 11.0584 11.0584 11.4709 11.4709 12.1554 12.1554 12.4840 12.4840 13.6252 13.6252 13.7827 13.7827 k = 0.1236-0.4488-0.0000 ( 3759 PWs) bands (ev): -5.8816 -5.8816 -3.6929 -3.6929 -3.3519 -3.3519 -2.6895 -2.6895 1.2076 1.2076 1.8694 1.8694 3.2667 3.2667 3.6295 3.6295 4.5569 4.5569 5.3871 5.3871 5.5647 5.5647 7.1398 7.1398 7.7331 7.7331 8.1029 8.1029 8.2294 8.2294 8.7018 8.7018 9.1333 9.1333 9.3218 9.3218 9.4523 9.4523 11.0591 11.0591 11.4298 11.4298 12.2149 12.2149 12.4131 12.4131 13.6073 13.6073 13.8477 13.8477 k = 0.1182-0.4293 0.0000 ( 3757 PWs) bands (ev): -5.9326 -5.9326 -3.7126 -3.7126 -3.3790 -3.3790 -2.7039 -2.7039 1.2045 1.2045 1.8402 1.8402 3.2121 3.2121 3.7056 3.7056 4.6595 4.6595 5.5366 5.5366 5.6828 5.6828 7.1638 7.1638 7.7772 7.7772 8.1284 8.1284 8.2422 8.2422 8.7576 8.7576 9.1551 9.1551 9.3111 9.3111 9.4443 9.4443 11.0580 11.0580 11.3873 11.3873 12.2702 12.2702 12.3380 12.3380 13.5864 13.5864 13.9120 13.9120 k = 0.1128-0.4098-0.0000 ( 3757 PWs) bands (ev): -5.9817 -5.9817 -3.7327 -3.7327 -3.4058 -3.4058 -2.7188 -2.7188 1.1995 1.1995 1.8104 1.8104 3.1593 3.1593 3.7909 3.7909 4.7631 4.7631 5.6883 5.6883 5.8033 5.8033 7.1895 7.1895 7.8147 7.8147 8.1556 8.1556 8.2532 8.2532 8.8127 8.8127 9.1749 9.1749 9.3038 9.3038 9.4370 9.4370 11.0551 11.0551 11.3436 11.3436 12.2385 12.2385 12.3423 12.3423 13.5630 13.5630 13.9696 13.9696 k = 0.1075-0.3903-0.0000 ( 3755 PWs) bands (ev): -6.0288 -6.0288 -3.7530 -3.7530 -3.4321 -3.4321 -2.7342 -2.7342 1.1926 1.1926 1.7804 1.7804 3.1085 3.1085 3.8847 3.8847 4.8668 4.8668 5.8408 5.8408 5.9261 5.9261 7.2180 7.2180 7.8449 7.8449 8.1836 8.1836 8.2642 8.2642 8.8668 8.8668 9.1895 9.1895 9.3026 9.3026 9.4307 9.4307 11.0505 11.0505 11.2991 11.2991 12.1473 12.1473 12.3989 12.3989 13.5375 13.5375 14.0138 14.0138 k = 0.1021-0.3708-0.0000 ( 3751 PWs) bands (ev): -6.0738 -6.0738 -3.7734 -3.7734 -3.4579 -3.4579 -2.7499 -2.7499 1.1841 1.1841 1.7504 1.7504 3.0599 3.0599 3.9863 3.9863 4.9701 4.9701 5.9916 5.9916 6.0520 6.0520 7.2504 7.2504 7.8674 7.8674 8.2086 8.2086 8.2794 8.2794 8.9202 8.9202 9.1961 9.1961 9.3093 9.3093 9.4260 9.4260 11.0443 11.0443 11.2540 11.2540 12.0483 12.0483 12.4556 12.4556 13.5101 13.5101 14.0375 14.0375 k = 0.0967-0.3513-0.0000 ( 3747 PWs) bands (ev): -6.1167 -6.1167 -3.7935 -3.7935 -3.4829 -3.4829 -2.7657 -2.7657 1.1742 1.1742 1.7209 1.7209 3.0135 3.0135 4.0949 4.0949 5.0719 5.0719 6.1363 6.1363 6.1840 6.1840 7.2880 7.2880 7.8825 7.8825 8.2249 8.2249 8.3046 8.3046 8.9723 8.9723 9.1950 9.1950 9.3223 9.3223 9.4239 9.4239 11.0366 11.0366 11.2087 11.2087 11.9436 11.9436 12.5094 12.5094 13.4809 13.4809 14.0367 14.0367 k = 0.0913-0.3317-0.0000 ( 3757 PWs) bands (ev): -6.1574 -6.1574 -3.8133 -3.8133 -3.5072 -3.5072 -2.7815 -2.7815 1.1632 1.1632 1.6919 1.6919 2.9695 2.9695 4.2100 4.2100 5.1714 5.1714 6.2700 6.2700 6.3250 6.3250 7.3322 7.3322 7.8906 7.8906 8.2317 8.2317 8.3399 8.3399 9.0226 9.0226 9.1898 9.1898 9.3371 9.3371 9.4258 9.4258 11.0275 11.0275 11.1632 11.1632 11.8339 11.8339 12.5577 12.5577 13.4500 13.4500 14.0117 14.0117 k = 0.0860-0.3122-0.0000 ( 3761 PWs) bands (ev): -6.1960 -6.1960 -3.8327 -3.8327 -3.5305 -3.5305 -2.7971 -2.7971 1.1513 1.1513 1.6637 1.6637 2.9278 2.9278 4.3306 4.3306 5.2676 5.2676 6.3958 6.3958 6.4700 6.4700 7.3849 7.3849 7.8924 7.8924 8.2328 8.2328 8.3808 8.3808 9.0690 9.0690 9.1850 9.1850 9.3496 9.3496 9.4334 9.4334 11.0170 11.0170 11.1179 11.1179 11.7198 11.7198 12.5972 12.5972 13.4180 13.4180 13.9661 13.9661 k = 0.0806-0.2927-0.0000 ( 3767 PWs) bands (ev): -6.2324 -6.2324 -3.8514 -3.8514 -3.5528 -3.5528 -2.8124 -2.8124 1.1389 1.1389 1.6366 1.6366 2.8885 2.8885 4.4562 4.4562 5.3596 5.3596 6.5172 6.5172 6.6131 6.6131 7.4475 7.4475 7.8885 7.8885 8.2307 8.2307 8.4240 8.4240 9.1043 9.1043 9.1888 9.1888 9.3589 9.3589 9.4468 9.4468 11.0050 11.0050 11.0733 11.0733 11.6020 11.6020 12.6235 12.6235 13.3857 13.3857 13.9045 13.9045 k = 0.0752-0.2732-0.0000 ( 3769 PWs) bands (ev): -6.2666 -6.2666 -3.8694 -3.8694 -3.5741 -3.5741 -2.8273 -2.8273 1.1262 1.1262 1.6106 1.6106 2.8517 2.8517 4.5857 4.5857 5.4465 5.4465 6.6353 6.6353 6.7508 6.7508 7.5216 7.5216 7.8795 7.8795 8.2268 8.2268 8.4675 8.4675 9.1173 9.1173 9.2118 9.2118 9.3677 9.3677 9.4640 9.4640 10.9909 10.9909 11.0301 11.0301 11.4814 11.4814 12.6316 12.6316 13.3552 13.3552 13.8305 13.8305 k = 0.0698-0.2537 0.0000 ( 3769 PWs) bands (ev): -6.2985 -6.2985 -3.8866 -3.8866 -3.5942 -3.5942 -2.8416 -2.8416 1.1135 1.1135 1.5860 1.5860 2.8173 2.8173 4.7186 4.7186 5.5274 5.5274 6.7500 6.7500 6.8811 6.8811 7.6080 7.6080 7.8661 7.8661 8.2216 8.2216 8.5098 8.5098 9.1136 9.1136 9.2457 9.2457 9.3812 9.3812 9.4828 9.4828 10.9700 10.9700 10.9933 10.9933 11.3592 11.3592 12.6163 12.6163 13.3288 13.3288 13.7473 13.7473 k = 0.0645-0.2342 0.0000 ( 3769 PWs) bands (ev): -6.3281 -6.3281 -3.9029 -3.9029 -3.6131 -3.6131 -2.8553 -2.8553 1.1009 1.1009 1.5627 1.5627 2.7853 2.7853 4.8537 4.8537 5.6018 5.6018 6.8609 6.8609 7.0029 7.0029 7.7058 7.7058 7.8493 7.8493 8.2156 8.2156 8.5499 8.5499 9.1041 9.1041 9.2748 9.2748 9.4062 9.4062 9.5017 9.5017 10.9340 10.9340 10.9713 10.9713 11.2366 11.2366 12.5750 12.5750 13.3079 13.3079 13.6578 13.6578 k = 0.0591-0.2147 0.0000 ( 3759 PWs) bands (ev): -6.3555 -6.3555 -3.9181 -3.9181 -3.6306 -3.6306 -2.8682 -2.8682 1.0886 1.0886 1.5410 1.5410 2.7559 2.7559 4.9901 4.9901 5.6691 5.6691 6.9674 6.9674 7.1158 7.1158 7.7980 7.7980 7.8452 7.8452 8.2093 8.2093 8.5869 8.5869 9.0928 9.0928 9.2930 9.2930 9.4453 9.4453 9.5203 9.5203 10.8924 10.8924 10.9548 10.9548 11.1156 11.1156 12.5083 12.5083 13.2923 13.2923 13.5644 13.5644 k = 0.0537-0.1951-0.0000 ( 3751 PWs) bands (ev): -6.3805 -6.3805 -3.9323 -3.9323 -3.6469 -3.6469 -2.8803 -2.8803 1.0769 1.0769 1.5209 1.5209 2.7289 2.7289 5.1268 5.1268 5.7293 5.7293 7.0688 7.0688 7.2204 7.2204 7.7923 7.7923 7.9430 7.9430 8.2033 8.2033 8.6201 8.6201 9.0812 9.0812 9.3029 9.3029 9.4924 9.4924 9.5411 9.5411 10.8492 10.8492 10.9382 10.9382 10.9992 10.9992 12.4203 12.4203 13.2801 13.2801 13.4698 13.4698 k = 0.0484-0.1756-0.0000 ( 3749 PWs) bands (ev): -6.4031 -6.4031 -3.9453 -3.9453 -3.6617 -3.6617 -2.8915 -2.8915 1.0659 1.0659 1.5026 1.5026 2.7045 2.7045 5.2624 5.2624 5.7824 5.7824 7.1645 7.1645 7.3167 7.3167 7.7651 7.7651 8.0605 8.0605 8.2011 8.2011 8.6490 8.6490 9.0703 9.0703 9.3089 9.3089 9.5294 9.5294 9.5768 9.5768 10.8019 10.8019 10.8877 10.8877 10.9263 10.9263 12.3166 12.3166 13.2680 13.2680 13.3767 13.3767 k = 0.0430-0.1561-0.0000 ( 3743 PWs) bands (ev): -6.4235 -6.4235 -3.9571 -3.9571 -3.6751 -3.6751 -2.9017 -2.9017 1.0558 1.0558 1.4859 1.4859 2.6827 2.6827 5.3953 5.3953 5.8287 5.8287 7.2539 7.2539 7.4037 7.4037 7.7363 7.7363 8.1461 8.1461 8.2321 8.2321 8.6735 8.6735 9.0610 9.0610 9.3133 9.3133 9.5474 9.5474 9.6331 9.6331 10.7369 10.7369 10.8065 10.8065 10.9095 10.9095 12.2027 12.2027 13.2458 13.2458 13.2962 13.2962 k = 0.0376-0.1366 0.0000 ( 3741 PWs) bands (ev): -6.4414 -6.4414 -3.9676 -3.9676 -3.6870 -3.6870 -2.9108 -2.9108 1.0465 1.0465 1.4712 1.4712 2.6633 2.6633 5.5235 5.5235 5.8691 5.8691 7.3360 7.3360 7.4763 7.4763 7.7128 7.7128 8.1565 8.1565 8.3337 8.3337 8.6939 8.6939 9.0547 9.0547 9.3175 9.3175 9.5581 9.5581 9.6957 9.6957 10.6503 10.6503 10.7551 10.7551 10.8945 10.8945 12.0839 12.0839 13.1787 13.1787 13.2639 13.2639 k = 0.0322-0.1171 0.0000 ( 3739 PWs) bands (ev): -6.4570 -6.4570 -3.9768 -3.9768 -3.6974 -3.6974 -2.9188 -2.9188 1.0383 1.0383 1.4583 1.4583 2.6466 2.6466 5.6442 5.6442 5.9046 5.9046 7.4099 7.4099 7.5199 7.5199 7.7106 7.7106 8.1484 8.1484 8.4423 8.4423 8.7110 8.7110 9.0536 9.0536 9.3218 9.3218 9.5651 9.5651 9.7586 9.7586 10.5646 10.5646 10.7149 10.7149 10.8806 10.8806 11.9652 11.9652 13.0973 13.0973 13.2514 13.2514 k = 0.0269-0.0976-0.0000 ( 3741 PWs) bands (ev): -6.4702 -6.4702 -3.9846 -3.9846 -3.7063 -3.7063 -2.9256 -2.9256 1.0312 1.0312 1.4473 1.4473 2.6324 2.6324 5.7530 5.7530 5.9376 5.9376 7.4743 7.4743 7.5215 7.5215 7.7440 7.7440 8.1358 8.1358 8.5362 8.5362 8.7266 8.7266 9.0606 9.0606 9.3262 9.3262 9.5693 9.5693 9.8183 9.8183 10.4895 10.4895 10.6787 10.6787 10.8679 10.8679 11.8513 11.8513 13.0207 13.0207 13.2417 13.2417 k = 0.0215-0.0781-0.0000 ( 3739 PWs) bands (ev): -6.4811 -6.4811 -3.9911 -3.9911 -3.7135 -3.7135 -2.9313 -2.9313 1.0254 1.0254 1.4382 1.4382 2.6208 2.6208 5.8419 5.8419 5.9734 5.9734 7.4925 7.4925 7.5327 7.5327 7.7985 7.7985 8.1199 8.1199 8.6056 8.6056 8.7427 8.7427 9.0784 9.0784 9.3305 9.3305 9.5712 9.5712 9.8714 9.8714 10.4291 10.4291 10.6453 10.6453 10.8568 10.8568 11.7471 11.7471 12.9530 12.9530 13.2334 13.2334 k = 0.0161-0.0585-0.0000 ( 3739 PWs) bands (ev): -6.4895 -6.4895 -3.9962 -3.9962 -3.7192 -3.7192 -2.9357 -2.9357 1.0207 1.0207 1.4312 1.4312 2.6117 2.6117 5.9002 5.9002 6.0192 6.0192 7.4607 7.4607 7.5759 7.5759 7.8568 7.8568 8.1004 8.1004 8.6471 8.6471 8.7596 8.7596 9.1067 9.1067 9.3344 9.3344 9.5710 9.5710 9.9146 9.9146 10.3858 10.3858 10.6153 10.6153 10.8478 10.8478 11.6578 11.6578 12.8970 12.8970 13.2265 13.2265 k = 0.0107-0.0390 0.0000 ( 3731 PWs) bands (ev): -6.4955 -6.4955 -3.9998 -3.9998 -3.7233 -3.7233 -2.9389 -2.9389 1.0174 1.0174 1.4261 1.4261 2.6052 2.6052 5.9300 5.9300 6.0687 6.0687 7.4308 7.4308 7.6083 7.6083 7.9114 7.9114 8.0767 8.0767 8.6675 8.6675 8.7735 8.7735 9.1388 9.1388 9.3374 9.3374 9.5696 9.5696 9.9452 9.9452 10.3596 10.3596 10.5902 10.5902 10.8411 10.8411 11.5889 11.5889 12.8551 12.8551 13.2213 13.2213 k = 0.0054-0.0195 0.0000 ( 3733 PWs) bands (ev): -6.4991 -6.4991 -4.0020 -4.0020 -3.7257 -3.7257 -2.9408 -2.9408 1.0154 1.0154 1.4231 1.4231 2.6014 2.6014 5.9436 5.9436 6.1051 6.1051 7.4101 7.4101 7.6281 7.6281 7.9586 7.9586 8.0493 8.0493 8.6762 8.6762 8.7815 8.7815 9.1642 9.1642 9.3392 9.3392 9.5678 9.5678 9.9626 9.9626 10.3476 10.3476 10.5729 10.5729 10.8369 10.8369 11.5452 11.5452 12.8291 12.8291 13.2181 13.2181 k = 0.0000 0.0000 0.0000 ( 3733 PWs) bands (ev): -6.5003 -6.5003 -4.0027 -4.0027 -3.7265 -3.7265 -2.9415 -2.9415 1.0147 1.0147 1.4221 1.4221 2.6001 2.6001 5.9476 5.9476 6.1182 6.1182 7.4026 7.4026 7.6348 7.6348 7.9856 7.9856 8.0291 8.0291 8.6786 8.6786 8.7840 8.7840 9.1739 9.1739 9.3398 9.3398 9.5671 9.5671 9.9681 9.9681 10.3445 10.3445 10.5666 10.5666 10.8355 10.8355 11.5301 11.5301 12.8203 12.8203 13.2170 13.2170 k = 0.0000 0.0000 0.0000 ( 3733 PWs) bands (ev): -6.5003 -6.5003 -4.0027 -4.0027 -3.7265 -3.7265 -2.9415 -2.9415 1.0147 1.0147 1.4221 1.4221 2.6001 2.6001 5.9476 5.9476 6.1182 6.1182 7.4026 7.4026 7.6348 7.6348 7.9856 7.9856 8.0291 8.0291 8.6786 8.6786 8.7840 8.7840 9.1739 9.1739 9.3398 9.3398 9.5671 9.5671 9.9681 9.9681 10.3445 10.3445 10.5666 10.5666 10.8355 10.8355 11.5301 11.5301 12.8203 12.8203 13.2170 13.2170 k = 0.0102-0.0171-0.0027 ( 3735 PWs) bands (ev): -6.4992 -6.4992 -4.0022 -4.0022 -3.7258 -3.7258 -2.9410 -2.9410 1.0153 1.0153 1.4235 1.4235 2.6015 2.6015 5.9437 5.9437 6.1063 6.1063 7.4091 7.4091 7.6287 7.6287 7.9606 7.9606 8.0481 8.0481 8.6763 8.6763 8.7818 8.7818 9.1649 9.1649 9.3394 9.3394 9.5672 9.5672 9.9625 9.9625 10.3469 10.3469 10.5724 10.5724 10.8369 10.8369 11.5444 11.5444 12.8274 12.8274 13.2197 13.2197 k = 0.0204-0.0343-0.0055 ( 3731 PWs) bands (ev): -6.4957 -6.4957 -4.0008 -4.0008 -3.7236 -3.7236 -2.9395 -2.9395 1.0172 1.0172 1.4276 1.4276 2.6057 2.6057 5.9307 5.9307 6.0732 6.0732 7.4272 7.4272 7.6108 7.6108 7.9164 7.9164 8.0748 8.0748 8.6682 8.6682 8.7747 8.7747 9.1408 9.1408 9.3384 9.3384 9.5669 9.5669 9.9453 9.9453 10.3569 10.3569 10.5878 10.5878 10.8412 10.8412 11.5860 11.5860 12.8485 12.8485 13.2277 13.2277 k = 0.0306-0.0514-0.0082 ( 3735 PWs) bands (ev): -6.4899 -6.4899 -3.9984 -3.9984 -3.7199 -3.7199 -2.9371 -2.9371 1.0203 1.0203 1.4346 1.4346 2.6127 2.6127 5.9032 5.9032 6.0274 6.0274 7.4533 7.4533 7.5815 7.5815 7.8650 7.8650 8.0985 8.0985 8.6495 8.6495 8.7629 8.7629 9.1089 9.1089 9.3366 9.3366 9.5652 9.5652 9.9164 9.9164 10.3790 10.3790 10.6093 10.6093 10.8483 10.8483 11.6519 11.6519 12.8823 12.8823 13.2414 13.2414 k = 0.0408-0.0685-0.0109 ( 3738 PWs) bands (ev): -6.4817 -6.4817 -3.9951 -3.9951 -3.7149 -3.7149 -2.9338 -2.9338 1.0247 1.0247 1.4443 1.4443 2.6225 2.6225 5.8508 5.8508 5.9833 5.9833 7.4820 7.4820 7.5418 7.5418 7.8094 7.8094 8.1188 8.1188 8.6122 8.6122 8.7485 8.7485 9.0781 9.0781 9.3340 9.3340 9.5606 9.5606 9.8774 9.8774 10.4161 10.4161 10.6337 10.6337 10.8582 10.8582 11.7377 11.7377 12.9270 12.9270 13.2607 13.2607 k = 0.0510-0.0856-0.0137 ( 3742 PWs) bands (ev): -6.4713 -6.4713 -3.9909 -3.9909 -3.7083 -3.7083 -2.9295 -2.9295 1.0302 1.0302 1.4566 1.4566 2.6351 2.6351 5.7701 5.7701 5.9481 5.9481 7.4868 7.4868 7.5120 7.5120 7.7542 7.7542 8.1361 8.1361 8.5499 8.5499 8.7346 8.7346 9.0548 9.0548 9.3310 9.3310 9.5522 9.5522 9.8314 9.8314 10.4677 10.4677 10.6595 10.6595 10.8713 10.8713 11.8384 11.8384 12.9800 12.9800 13.2861 13.2861 k = 0.0612-0.1028-0.0164 ( 3745 PWs) bands (ev): -6.4585 -6.4585 -3.9858 -3.9858 -3.7004 -3.7004 -2.9243 -2.9243 1.0368 1.0368 1.4716 1.4716 2.6505 2.6505 5.6696 5.6696 5.9168 5.9168 7.4298 7.4298 7.5181 7.5181 7.7096 7.7096 8.1508 8.1508 8.4636 8.4636 8.7215 8.7215 9.0407 9.0407 9.3278 9.3278 9.5391 9.5391 9.7820 9.7820 10.5315 10.5315 10.6861 10.6861 10.8878 10.8878 11.9492 11.9492 13.0387 13.0387 13.3179 13.3179 k = 0.0714-0.1199-0.0191 ( 3747 PWs) bands (ev): -6.4435 -6.4435 -3.9797 -3.9797 -3.6911 -3.6911 -2.9182 -2.9182 1.0446 1.0446 1.4891 1.4891 2.6686 2.6686 5.5569 5.5569 5.8845 5.8845 7.3621 7.3621 7.4932 7.4932 7.6913 7.6913 8.1623 8.1623 8.3604 8.3604 8.7073 8.7073 9.0340 9.0340 9.3244 9.3244 9.5203 9.5203 9.7331 9.7331 10.6030 10.6030 10.7145 10.7145 10.9089 10.9089 12.0656 12.0656 13.1001 13.1001 13.3567 13.3567 k = 0.0816-0.1370-0.0219 ( 3748 PWs) bands (ev): -6.4261 -6.4261 -3.9728 -3.9728 -3.6805 -3.6805 -2.9113 -2.9113 1.0533 1.0533 1.5092 1.5092 2.6895 2.6895 5.4365 5.4365 5.8487 5.8487 7.2866 7.2866 7.4359 7.4359 7.6974 7.6974 8.1645 8.1645 8.2532 8.2532 8.6905 8.6905 9.0322 9.0322 9.3203 9.3203 9.4949 9.4949 9.6882 9.6882 10.6742 10.6742 10.7473 10.7473 10.9373 10.9373 12.1829 12.1829 13.1614 13.1614 13.4027 13.4027 k = 0.0918-0.1541-0.0246 ( 3749 PWs) bands (ev): -6.4065 -6.4065 -3.9650 -3.9650 -3.6685 -3.6685 -2.9035 -2.9035 1.0629 1.0629 1.5316 1.5316 2.7131 2.7131 5.3112 5.3112 5.8085 5.8085 7.2041 7.2041 7.3609 7.3609 7.7124 7.7124 8.1004 8.1004 8.2049 8.2049 8.6701 8.6701 9.0333 9.0333 9.3142 9.3142 9.4637 9.4637 9.6499 9.6499 10.7308 10.7308 10.7905 10.7905 10.9789 10.9789 12.2969 12.2969 13.2204 13.2204 13.4558 13.4558 k = 0.1020-0.1713-0.0273 ( 3753 PWs) bands (ev): -6.3846 -6.3846 -3.9564 -3.9564 -3.6552 -3.6552 -2.8949 -2.8949 1.0732 1.0732 1.5563 1.5563 2.7395 2.7395 5.1830 5.1830 5.7630 5.7630 7.1153 7.1153 7.2761 7.2761 7.7270 7.7270 7.9842 7.9842 8.2067 8.2067 8.6455 8.6455 9.0358 9.0358 9.3029 9.3029 9.4306 9.4306 9.6184 9.6184 10.7689 10.7689 10.8377 10.8377 11.0418 11.0418 12.4026 12.4026 13.2759 13.2759 13.5153 13.5153 k = 0.1122-0.1884-0.0301 ( 3754 PWs) bands (ev): -6.3604 -6.3604 -3.9469 -3.9469 -3.6407 -3.6407 -2.8856 -2.8856 1.0842 1.0842 1.5832 1.5832 2.7685 2.7685 5.0535 5.0535 5.7121 5.7121 7.0210 7.0210 7.1840 7.1840 7.7336 7.7336 7.8705 7.8705 8.2122 8.2122 8.6167 8.6167 9.0386 9.0386 9.2818 9.2818 9.4032 9.4032 9.5924 9.5924 10.7997 10.7997 10.8744 10.8744 11.1270 11.1270 12.4954 12.4954 13.3283 13.3283 13.5797 13.5797 k = 0.1224-0.2055-0.0328 ( 3750 PWs) bands (ev): -6.3340 -6.3340 -3.9367 -3.9367 -3.6250 -3.6250 -2.8757 -2.8757 1.0957 1.0957 1.6122 1.6122 2.8002 2.8002 4.9239 4.9239 5.6555 5.6555 6.9218 6.9218 7.0846 7.0846 7.7020 7.7020 7.7966 7.7966 8.2167 8.2167 8.5836 8.5836 9.0400 9.0400 9.2491 9.2491 9.3866 9.3866 9.5701 9.5701 10.8283 10.8283 10.9009 10.9009 11.2271 11.2271 12.5702 12.5702 13.3790 13.3790 13.6476 13.6476 k = 0.1327-0.2226-0.0355 ( 3753 PWs) bands (ev): -6.3054 -6.3054 -3.9257 -3.9257 -3.6082 -3.6082 -2.8651 -2.8651 1.1075 1.1075 1.6430 1.6430 2.8346 2.8346 4.7955 4.7955 5.5934 5.5934 6.8183 6.8183 6.9773 6.9773 7.6131 7.6131 7.7850 7.7850 8.2191 8.2191 8.5466 8.5466 9.0374 9.0374 9.2107 9.2107 9.3789 9.3789 9.5503 9.5503 10.8558 10.8558 10.9213 10.9213 11.3345 11.3345 12.6236 12.6236 13.4302 13.4302 13.7179 13.7179 k = 0.1429-0.2398-0.0383 ( 3754 PWs) bands (ev): -6.2745 -6.2745 -3.9140 -3.9140 -3.5902 -3.5902 -2.8539 -2.8539 1.1194 1.1194 1.6756 1.6756 2.8716 2.8716 4.6690 4.6690 5.5259 5.5259 6.7112 6.7112 6.8617 6.8617 7.5194 7.5194 7.7856 7.7856 8.2187 8.2187 8.5062 8.5062 9.0256 9.0256 9.1767 9.1767 9.3757 9.3757 9.5323 9.5323 10.8820 10.8820 10.9385 10.9385 11.4441 11.4441 12.6542 12.6542 13.4833 13.4833 13.7896 13.7896 k = 0.1531-0.2569-0.0410 ( 3756 PWs) bands (ev): -6.2415 -6.2415 -3.9017 -3.9017 -3.5713 -3.5713 -2.8423 -2.8423 1.1311 1.1311 1.7097 1.7097 2.9111 2.9111 4.5456 4.5456 5.4534 5.4534 6.6010 6.6010 6.7381 6.7381 7.4346 7.4346 7.7860 7.7860 8.2150 8.2150 8.4628 8.4628 8.9987 8.9987 9.1559 9.1559 9.3744 9.3744 9.5158 9.5158 10.9060 10.9060 10.9549 10.9549 11.5525 11.5525 12.6640 12.6640 13.5386 13.5386 13.8601 13.8601 k = 0.1633-0.2740-0.0437 ( 3758 PWs) bands (ev): -6.2063 -6.2063 -3.8888 -3.8888 -3.5513 -3.5513 -2.8303 -2.8303 1.1423 1.1423 1.7452 1.7452 2.9532 2.9532 4.4258 4.4258 5.3764 5.3764 6.4880 6.4880 6.6077 6.6077 7.3606 7.3606 7.7842 7.7842 8.2074 8.2074 8.4172 8.4172 8.9572 8.9572 9.1493 9.1493 9.3734 9.3734 9.5011 9.5011 10.9258 10.9258 10.9728 10.9728 11.6567 11.6567 12.6571 12.6571 13.5953 13.5953 13.9246 13.9246 k = 0.1735-0.2911-0.0465 ( 3758 PWs) bands (ev): -6.1690 -6.1690 -3.8754 -3.8754 -3.5304 -3.5304 -2.8180 -2.8180 1.1529 1.1529 1.7818 1.7818 2.9977 2.9977 4.3107 4.3107 5.2955 5.2955 6.3720 6.3720 6.4730 6.4730 7.2967 7.2967 7.7798 7.7798 8.1951 8.1951 8.3703 8.3703 8.9069 8.9069 9.1518 9.1518 9.3716 9.3716 9.4883 9.4883 10.9398 10.9398 10.9940 10.9940 11.7540 11.7540 12.6388 12.6388 13.6516 13.6516 13.9753 13.9753 k = 0.1837-0.3083-0.0492 ( 3754 PWs) bands (ev): -6.1296 -6.1296 -3.8615 -3.8615 -3.5087 -3.5087 -2.8056 -2.8056 1.1625 1.1625 1.8193 1.8193 3.0446 3.0446 4.2009 4.2009 5.2116 5.2116 6.2520 6.2520 6.3372 6.3372 7.2417 7.2417 7.7727 7.7727 8.1769 8.1769 8.3232 8.3232 8.8525 8.8525 9.1592 9.1592 9.3683 9.3683 9.4781 9.4781 10.9485 10.9485 11.0180 11.0180 11.8413 11.8413 12.6140 12.6140 13.7055 13.7055 14.0033 14.0033 k = 0.1939-0.3254-0.0519 ( 3755 PWs) bands (ev): -6.0880 -6.0880 -3.8473 -3.8473 -3.4861 -3.4861 -2.7931 -2.7931 1.1707 1.1707 1.8575 1.8575 3.0939 3.0939 4.0971 4.0971 5.1251 5.1251 6.1260 6.1260 6.2046 6.2046 7.1941 7.1941 7.7629 7.7629 8.1514 8.1514 8.2774 8.2774 8.7968 8.7968 9.1692 9.1692 9.3630 9.3630 9.4707 9.4707 10.9533 10.9533 11.0434 11.0434 11.9155 11.9155 12.5871 12.5871 13.7535 13.7535 14.0052 14.0052 k = 0.2041-0.3425-0.0547 ( 3754 PWs) bands (ev): -6.0445 -6.0445 -3.8328 -3.8328 -3.4629 -3.4629 -2.7806 -2.7806 1.1773 1.1773 1.8959 1.8959 3.1455 3.1455 4.0001 4.0001 5.0370 5.0370 5.9921 5.9921 6.0790 6.0790 7.1525 7.1525 7.7503 7.7503 8.1172 8.1172 8.2342 8.2342 8.7411 8.7411 9.1804 9.1804 9.3560 9.3560 9.4660 9.4660 10.9551 10.9551 11.0692 11.0692 11.9731 11.9731 12.5612 12.5612 13.7885 13.7885 13.9921 13.9921 k = 0.2143-0.3597-0.0574 ( 3759 PWs) bands (ev): -5.9989 -5.9989 -3.8182 -3.8182 -3.4390 -3.4390 -2.7684 -2.7684 1.1820 1.1820 1.9344 1.9344 3.1992 3.1992 3.9106 3.9106 4.9478 4.9478 5.8522 5.8522 5.9604 5.9604 7.1155 7.1155 7.7348 7.7348 8.0742 8.0742 8.1938 8.1938 8.6867 8.6867 9.1919 9.1919 9.3480 9.3480 9.4637 9.4637 10.9541 10.9541 11.0948 11.0948 12.0115 12.0115 12.5378 12.5378 13.7984 13.7984 13.9890 13.9890 k = 0.2245-0.3768-0.0601 ( 3759 PWs) bands (ev): -5.9514 -5.9514 -3.8035 -3.8035 -3.4145 -3.4145 -2.7566 -2.7566 1.1845 1.1845 1.9724 1.9724 3.2550 3.2550 3.8290 3.8290 4.8584 4.8584 5.7097 5.7097 5.8471 5.8471 7.0820 7.0820 7.7164 7.7164 8.0240 8.0240 8.1545 8.1545 8.6344 8.6344 9.2027 9.2027 9.3400 9.3400 9.4633 9.4633 10.9507 10.9507 11.1198 11.1198 12.0297 12.0297 12.5158 12.5158 13.7826 13.7826 14.0098 14.0098 k = 0.2347-0.3939-0.0629 ( 3758 PWs) bands (ev): -5.9019 -5.9019 -3.7889 -3.7889 -3.3895 -3.3895 -2.7453 -2.7453 1.1846 1.1846 2.0096 2.0096 3.3125 3.3125 3.7560 3.7560 4.7692 4.7692 5.5669 5.5669 5.7379 5.7379 7.0509 7.0509 7.6948 7.6948 7.9688 7.9688 8.1144 8.1144 8.5851 8.5851 9.2116 9.2116 9.3336 9.3336 9.4644 9.4644 10.9447 10.9447 11.1441 11.1441 12.0296 12.0296 12.4916 12.4916 13.7601 13.7601 14.0450 14.0450 k = 0.2449-0.4110-0.0656 ( 3763 PWs) bands (ev): -5.8506 -5.8506 -3.7745 -3.7745 -3.3642 -3.3642 -2.7346 -2.7346 1.1822 1.1822 2.0455 2.0455 3.3714 3.3714 3.6923 3.6923 4.6808 4.6808 5.4257 5.4257 5.6327 5.6327 7.0210 7.0210 7.6699 7.6699 7.9102 7.9102 8.0721 8.0721 8.5393 8.5393 9.2172 9.2172 9.3304 9.3304 9.4665 9.4665 10.9359 10.9359 11.1675 11.1675 12.0143 12.0143 12.4610 12.4610 13.7464 13.7464 14.0844 14.0844 k = 0.2551-0.4282-0.0683 ( 3765 PWs) bands (ev): -5.7974 -5.7974 -3.7605 -3.7605 -3.3385 -3.3385 -2.7248 -2.7248 1.1774 1.1774 2.0796 2.0796 3.4307 3.4307 3.6390 3.6390 4.5935 4.5935 5.2871 5.2871 5.5318 5.5318 6.9913 6.9913 7.6415 7.6415 7.8497 7.8497 8.0273 8.0273 8.4974 8.4974 9.2184 9.2184 9.3317 9.3317 9.4695 9.4695 10.9243 10.9243 11.1899 11.1899 11.9877 11.9877 12.4212 12.4212 13.7479 13.7479 14.1232 14.1232 k = 0.2653-0.4453-0.0711 ( 3765 PWs) bands (ev): -5.7425 -5.7425 -3.7470 -3.7470 -3.3126 -3.3126 -2.7159 -2.7159 1.1702 1.1702 2.1112 2.1112 3.4864 3.4864 3.5999 3.5999 4.5078 4.5078 5.1523 5.1523 5.4356 5.4356 6.9607 6.9607 7.6094 7.6094 7.7882 7.7882 7.9803 7.9803 8.4593 8.4593 9.2150 9.2150 9.3376 9.3376 9.4731 9.4731 10.9094 10.9094 11.2111 11.2111 11.9527 11.9527 12.3724 12.3724 13.7654 13.7654 14.1588 14.1588 k = 0.2755-0.4624-0.0738 ( 3766 PWs) bands (ev): -5.6858 -5.6858 -3.7344 -3.7344 -3.2866 -3.2866 -2.7082 -2.7082 1.1609 1.1609 2.1399 2.1399 3.5156 3.5156 3.5974 3.5974 4.4236 4.4236 5.0224 5.0224 5.3448 5.3448 6.9281 6.9281 7.5733 7.5733 7.7263 7.7263 7.9319 7.9319 8.4249 8.4249 9.2081 9.2081 9.3470 9.3470 9.4773 9.4773 10.8908 10.8908 11.2310 11.2310 11.9111 11.9111 12.3171 12.3171 13.7969 13.7969 14.1893 14.1893 k = 0.2857-0.4795-0.0765 ( 3766 PWs) bands (ev): -5.6275 -5.6275 -3.7227 -3.7227 -3.2606 -3.2606 -2.7018 -2.7018 1.1500 1.1500 2.1648 2.1648 3.5037 3.5037 3.6458 3.6458 4.3411 4.3411 4.8983 4.8983 5.2601 5.2601 6.8921 6.8921 7.5328 7.5328 7.6653 7.6653 7.8833 7.8833 8.3939 8.3939 9.1988 9.1988 9.3588 9.3588 9.4822 9.4822 10.8679 10.8679 11.2496 11.2496 11.8645 11.8645 12.2590 12.2590 13.8389 13.8389 14.2127 14.2127 k = 0.2959-0.4967-0.0793 ( 3772 PWs) bands (ev): -5.5676 -5.5676 -3.7122 -3.7122 -3.2346 -3.2346 -2.6968 -2.6968 1.1379 1.1379 2.1853 2.1853 3.4864 3.4864 3.7082 3.7082 4.2602 4.2602 4.7814 4.7814 5.1822 5.1822 6.8518 6.8518 7.4871 7.4871 7.6064 7.6064 7.8355 7.8355 8.3657 8.3657 9.1883 9.1883 9.3715 9.3715 9.4878 9.4878 10.8402 10.8402 11.2668 11.2668 11.8140 11.8140 12.2017 12.2017 13.8881 13.8881 14.2267 14.2267 k = 0.3061-0.5138-0.0820 ( 3769 PWs) bands (ev): -5.5063 -5.5063 -3.7032 -3.7032 -3.2089 -3.2089 -2.6932 -2.6932 1.1254 1.1254 2.2007 2.2007 3.4738 3.4738 3.7730 3.7730 4.1812 4.1812 4.6728 4.6728 5.1121 5.1121 6.8061 6.8061 7.4350 7.4350 7.5520 7.5520 7.7893 7.7893 8.3401 8.3401 9.1771 9.1771 9.3844 9.3844 9.4942 9.4942 10.8071 10.8071 11.2824 11.2824 11.7611 11.7611 12.1478 12.1478 13.9412 13.9412 14.2295 14.2295 k = 0.3163-0.5309-0.0847 ( 3771 PWs) bands (ev): -5.4435 -5.4435 -3.6960 -3.6960 -3.1834 -3.1834 -2.6911 -2.6911 1.1131 1.1131 2.2104 2.2104 3.4666 3.4666 3.8361 3.8361 4.1056 4.1056 4.5742 4.5742 5.0505 5.0505 6.7545 6.7545 7.3751 7.3751 7.5042 7.5042 7.7453 7.7453 8.3166 8.3166 9.1656 9.1656 9.3968 9.3968 9.5017 9.5017 10.7679 10.7679 11.2965 11.2965 11.7079 11.7079 12.0990 12.0990 13.9955 13.9955 14.2217 14.2217 k = 0.3265-0.5480-0.0875 ( 3770 PWs) bands (ev): -5.3794 -5.3794 -3.6909 -3.6909 -3.1583 -3.1583 -2.6906 -2.6906 1.1017 1.1017 2.2139 2.2139 3.4641 3.4641 3.8879 3.8879 4.0419 4.0419 4.4869 4.4869 4.9981 4.9981 6.6966 6.6966 7.3077 7.3077 7.4636 7.4636 7.7035 7.7035 8.2950 8.2950 9.1543 9.1543 9.4082 9.4082 9.5102 9.5102 10.7224 10.7224 11.3088 11.3088 11.6566 11.6566 12.0554 12.0554 14.0482 14.0482 14.2065 14.2065 k = 0.3367-0.5652-0.0902 ( 3773 PWs) bands (ev): -5.3142 -5.3142 -3.6881 -3.6881 -3.1336 -3.1336 -2.6916 -2.6916 1.0921 1.0921 2.2106 2.2106 3.4646 3.4646 3.8898 3.8898 4.0277 4.0277 4.4133 4.4133 4.9554 4.9554 6.6329 6.6329 7.2339 7.2339 7.4295 7.4295 7.6641 7.6641 8.2750 8.2750 9.1431 9.1431 9.4182 9.4182 9.5200 9.5200 10.6706 10.6706 11.3192 11.3192 11.6096 11.6096 12.0168 12.0168 14.0950 14.0950 14.1900 14.1900 k = 0.3469-0.5823-0.0929 ( 3770 PWs) bands (ev): -5.2478 -5.2478 -3.6881 -3.6881 -3.1096 -3.1096 -2.6940 -2.6940 1.0848 1.0848 2.2005 2.2005 3.4655 3.4655 3.8358 3.8358 4.0668 4.0668 4.3571 4.3571 4.9227 4.9227 6.5639 6.5639 7.1554 7.1554 7.4006 7.4006 7.6270 7.6270 8.2565 8.2565 9.1323 9.1323 9.4269 9.4269 9.5308 9.5308 10.6130 10.6130 11.3274 11.3274 11.5685 11.5685 11.9826 11.9826 14.1214 14.1214 14.1877 14.1877 k = 0.3571-0.5994-0.0957 ( 3775 PWs) bands (ev): -5.1805 -5.1805 -3.6911 -3.6911 -3.0864 -3.0864 -2.6976 -2.6976 1.0805 1.0805 2.1834 2.1834 3.4625 3.4625 3.7733 3.7733 4.1070 4.1070 4.3273 4.3273 4.8996 4.8996 6.4906 6.4906 7.0733 7.0733 7.3755 7.3755 7.5923 7.5923 8.2393 8.2393 9.1219 9.1219 9.4340 9.4340 9.5424 9.5424 10.5507 10.5507 11.3332 11.3332 11.5343 11.5343 11.9521 11.9521 14.1133 14.1133 14.2138 14.2138 k = 0.3673-0.6165-0.0984 ( 3777 PWs) bands (ev): -5.1124 -5.1124 -3.6974 -3.6974 -3.0639 -3.0639 -2.7023 -2.7023 1.0798 1.0798 2.1596 2.1596 3.4498 3.4498 3.7190 3.7190 4.1244 4.1244 4.3365 4.3365 4.8856 4.8856 6.4142 6.4142 6.9885 6.9885 7.3530 7.3530 7.5603 7.5603 8.2233 8.2233 9.1120 9.1120 9.4398 9.4398 9.5547 9.5547 10.4851 10.4851 11.3365 11.3365 11.5077 11.5077 11.9248 11.9248 14.0929 14.0929 14.2449 14.2449 k = 0.3776-0.6337-0.1011 ( 3775 PWs) bands (ev): -5.0437 -5.0437 -3.7075 -3.7075 -3.0424 -3.0424 -2.7079 -2.7079 1.0831 1.0831 2.1293 2.1293 3.4217 3.4217 3.6796 3.6796 4.1217 4.1217 4.3803 4.3803 4.8797 4.8797 6.3362 6.3362 6.9017 6.9017 7.3317 7.3317 7.5313 7.5313 8.2085 8.2085 9.1026 9.1026 9.4445 9.4445 9.5671 9.5671 10.4178 10.4178 11.3371 11.3371 11.4882 11.4882 11.9002 11.9002 14.0708 14.0708 14.2681 14.2681 k = 0.3878-0.6508-0.1039 ( 3776 PWs) bands (ev): -4.9746 -4.9746 -3.7215 -3.7215 -3.0219 -3.0219 -2.7140 -2.7140 1.0908 1.0908 2.0932 2.0932 3.3785 3.3785 3.6545 3.6545 4.1163 4.1163 4.4415 4.4415 4.8805 4.8805 6.2579 6.2579 6.8136 6.8136 7.3105 7.3105 7.5058 7.5058 8.1950 8.1950 9.0937 9.0937 9.4482 9.4482 9.5795 9.5795 10.3503 10.3503 11.3354 11.3354 11.4751 11.4751 11.8780 11.8780 14.0496 14.0496 14.2796 14.2796 k = 0.3980-0.6679-0.1066 ( 3769 PWs) bands (ev): -4.9052 -4.9052 -3.7395 -3.7395 -3.0026 -3.0026 -2.7206 -2.7206 1.1031 1.1031 2.0518 2.0518 3.3261 3.3261 3.6371 3.6371 4.1189 4.1189 4.5095 4.5095 4.8862 4.8862 6.1808 6.1808 6.7248 6.7248 7.2885 7.2885 7.4843 7.4843 8.1826 8.1826 9.0854 9.0854 9.4511 9.4511 9.5916 9.5916 10.2844 10.2844 11.3322 11.3322 11.4671 11.4671 11.8580 11.8580 14.0300 14.0300 14.2806 14.2806 k = 0.4082-0.6851-0.1093 ( 3771 PWs) bands (ev): -4.8360 -4.8360 -3.7618 -3.7618 -2.9845 -2.9845 -2.7273 -2.7273 1.1201 1.1201 2.0058 2.0058 3.2708 3.2708 3.6215 3.6215 4.1329 4.1329 4.5799 4.5799 4.8950 4.8950 6.1066 6.1066 6.6359 6.6359 7.2653 7.2653 7.4668 7.4668 8.1713 8.1713 9.0777 9.0777 9.4533 9.4533 9.6029 9.6029 10.2213 10.2213 11.3283 11.3283 11.4627 11.4627 11.8398 11.8398 14.0126 14.0126 14.2742 14.2742 k = 0.4184-0.7022-0.1121 ( 3777 PWs) bands (ev): -4.7670 -4.7670 -3.7882 -3.7882 -2.9677 -2.9677 -2.7338 -2.7338 1.1418 1.1418 1.9560 1.9560 3.2169 3.2169 3.6050 3.6050 4.1583 4.1583 4.6502 4.6502 4.9050 4.9050 6.0371 6.0371 6.5476 6.5476 7.2410 7.2410 7.4531 7.4531 8.1613 8.1613 9.0705 9.0705 9.4548 9.4548 9.6134 9.6134 10.1624 10.1624 11.3242 11.3242 11.4606 11.4606 11.8235 11.8235 13.9973 13.9973 14.2632 14.2632 k = 0.4286-0.7193-0.1148 ( 3774 PWs) bands (ev): -4.6989 -4.6989 -3.8187 -3.8187 -2.9525 -2.9525 -2.7401 -2.7401 1.1682 1.1682 1.9032 1.9032 3.1668 3.1668 3.5872 3.5872 4.1933 4.1933 4.7184 4.7184 4.9143 4.9143 5.9743 5.9743 6.4608 6.4608 7.2162 7.2162 7.4429 7.4429 8.1524 8.1524 9.0640 9.0640 9.4558 9.4558 9.6229 9.6229 10.1088 10.1088 11.3206 11.3206 11.4599 11.4599 11.8090 11.8090 13.9844 13.9844 14.2498 14.2498 k = 0.4388-0.7364-0.1175 ( 3776 PWs) bands (ev): -4.6320 -4.6320 -3.8527 -3.8527 -2.9388 -2.9388 -2.7460 -2.7460 1.1989 1.1989 1.8481 1.8481 3.1219 3.1219 3.5691 3.5691 4.2353 4.2353 4.7816 4.7816 4.9222 4.9222 5.9202 5.9202 6.3763 6.3763 7.1918 7.1918 7.4354 7.4354 8.1447 8.1447 9.0583 9.0583 9.4564 9.4564 9.6311 9.6311 10.0611 10.0611 11.3176 11.3176 11.4600 11.4600 11.7962 11.7962 13.9738 13.9738 14.2357 14.2357 k = 0.4490-0.7536-0.1203 ( 3778 PWs) bands (ev): -4.5672 -4.5672 -3.8898 -3.8898 -2.9269 -2.9269 -2.7512 -2.7512 1.2337 1.2337 1.7918 1.7918 3.0831 3.0831 3.5519 3.5519 4.2816 4.2816 4.8339 4.8339 4.9313 4.9313 5.8766 5.8766 6.2956 6.2956 7.1688 7.1688 7.4301 7.4301 8.1383 8.1383 9.0532 9.0532 9.4566 9.4566 9.6381 9.6381 10.0201 10.0201 11.3153 11.3153 11.4605 11.4605 11.7853 11.7853 13.9653 13.9653 14.2218 14.2218 k = 0.4592-0.7707-0.1230 ( 3779 PWs) bands (ev): -4.5056 -4.5056 -3.9288 -3.9288 -2.9168 -2.9168 -2.7557 -2.7557 1.2718 1.2718 1.7354 1.7354 3.0509 3.0509 3.5366 3.5366 4.3291 4.3291 4.8628 4.8628 4.9516 4.9516 5.8451 5.8451 6.2203 6.2203 7.1482 7.1482 7.4263 7.4263 8.1330 8.1330 9.0490 9.0490 9.4566 9.4566 9.6437 9.6437 9.9863 9.9863 11.3136 11.3136 11.4611 11.4611 11.7763 11.7763 13.9588 13.9588 14.2092 14.2092 k = 0.4694-0.7878-0.1257 ( 3776 PWs) bands (ev): -4.4489 -4.4489 -3.9678 -3.9678 -2.9087 -2.9087 -2.7594 -2.7594 1.3123 1.3123 1.6803 1.6803 3.0256 3.0256 3.5239 3.5239 4.3745 4.3745 4.8652 4.8652 4.9846 4.9846 5.8260 5.8260 6.1530 6.1530 7.1311 7.1311 7.4239 7.4239 8.1289 8.1289 9.0456 9.0456 9.4565 9.4565 9.6480 9.6480 9.9600 9.9600 11.3124 11.3124 11.4617 11.4617 11.7692 11.7692 13.9541 13.9541 14.1985 14.1985 k = 0.4796-0.8049-0.1285 ( 3773 PWs) bands (ev): -4.4004 -4.4004 -4.0038 -4.0038 -2.9027 -2.9027 -2.7622 -2.7622 1.3529 1.3529 1.6291 1.6291 3.0074 3.0074 3.5144 3.5144 4.4133 4.4133 4.8556 4.8556 5.0162 5.0162 5.8179 5.8179 6.0975 6.0975 7.1181 7.1181 7.4223 7.4223 8.1260 8.1260 9.0432 9.0432 9.4563 9.4563 9.6510 9.6510 9.9412 9.9412 11.3116 11.3116 11.4621 11.4621 11.7641 11.7641 13.9509 13.9509 14.1904 14.1904 k = 0.4898-0.8221-0.1312 ( 3773 PWs) bands (ev): -4.3657 -4.3657 -4.0309 -4.0309 -2.8991 -2.8991 -2.7639 -2.7639 1.3879 1.3879 1.5876 1.5876 2.9965 2.9965 3.5086 3.5086 4.4403 4.4403 4.8451 4.8451 5.0374 5.0374 5.8171 5.8171 6.0593 6.0593 7.1101 7.1101 7.4214 7.4214 8.1243 8.1243 9.0416 9.0416 9.4561 9.4561 9.6527 9.6527 9.9299 9.9299 11.3112 11.3112 11.4624 11.4624 11.7610 11.7610 13.9491 13.9491 14.1854 14.1854 k = 0.5000-0.8392-0.1340 ( 3776 PWs) bands (ev): -4.3527 -4.3527 -4.0414 -4.0414 -2.8979 -2.8979 -2.7644 -2.7644 1.4036 1.4036 1.5697 1.5697 2.9928 2.9928 3.5067 3.5067 4.4501 4.4501 4.8406 4.8406 5.0449 5.0449 5.8179 5.8179 6.0454 6.0454 7.1073 7.1073 7.4211 7.4211 8.1237 8.1237 9.0411 9.0411 9.4561 9.4561 9.6532 9.6532 9.9261 9.9261 11.3110 11.3110 11.4625 11.4625 11.7599 11.7599 13.9485 13.9485 14.1837 14.1837 k = 0.5000-0.8392 0.4649 ( 3784 PWs) bands (ev): -4.1915 -4.1915 -3.9742 -3.9742 -3.0093 -3.0093 -2.8795 -2.8795 0.8905 0.8905 1.1959 1.1959 2.5632 2.5632 3.6080 3.6080 4.9273 4.9273 5.6767 5.6767 6.0053 6.0053 6.1359 6.1359 6.7671 6.7671 7.4859 7.4859 7.8140 7.8140 8.0540 8.0540 8.7664 8.7664 9.0572 9.0572 9.6110 9.6110 10.0307 10.0307 10.1835 10.1835 10.8754 10.8754 11.4164 11.4164 13.0145 13.0145 13.1395 13.1395 k = 0.4906-0.8234 0.4561 ( 3780 PWs) bands (ev): -4.2010 -4.2010 -3.9675 -3.9675 -3.0208 -3.0208 -2.8687 -2.8687 0.8920 0.8920 1.1992 1.1992 2.5652 2.5652 3.6100 3.6100 4.9209 4.9209 5.6781 5.6781 6.0061 6.0061 6.1312 6.1312 6.7674 6.7674 7.4847 7.4847 7.8126 7.8126 8.0593 8.0593 8.7685 8.7685 9.0570 9.0570 9.6109 9.6109 10.0311 10.0311 10.1912 10.1912 10.8766 10.8766 11.4176 11.4176 13.0147 13.0147 13.1427 13.1427 k = 0.4811-0.8075 0.4473 ( 3785 PWs) bands (ev): -4.2266 -4.2266 -3.9503 -3.9503 -3.0480 -3.0480 -2.8437 -2.8437 0.8966 0.8966 1.2090 1.2090 2.5709 2.5709 3.6159 3.6159 4.9026 4.9026 5.6804 5.6804 6.0083 6.0083 6.1184 6.1184 6.7683 6.7683 7.4811 7.4811 7.8083 7.8083 8.0752 8.0752 8.7744 8.7744 9.0566 9.0566 9.6103 9.6103 10.0331 10.0331 10.2132 10.2132 10.8801 10.8801 11.4214 11.4214 13.0156 13.0156 13.1518 13.1518 k = 0.4717-0.7917 0.4386 ( 3783 PWs) bands (ev): -4.2633 -4.2633 -3.9276 -3.9276 -3.0819 -3.0819 -2.8135 -2.8135 0.9042 0.9042 1.2252 1.2252 2.5804 2.5804 3.6252 3.6252 4.8746 4.8746 5.6788 5.6788 6.0114 6.0114 6.1019 6.1019 6.7707 6.7707 7.4749 7.4749 7.8012 7.8012 8.1008 8.1008 8.7838 8.7838 9.0559 9.0559 9.6094 9.6094 10.0389 10.0389 10.2472 10.2472 10.8861 10.8861 11.4276 11.4276 13.0181 13.0181 13.1659 13.1659 k = 0.4623-0.7759 0.4298 ( 3784 PWs) bands (ev): -4.3071 -4.3071 -3.9031 -3.9031 -3.1183 -3.1183 -2.7823 -2.7823 0.9150 0.9150 1.2478 1.2478 2.5937 2.5937 3.6376 3.6376 4.8400 4.8400 5.6668 5.6668 6.0144 6.0144 6.0875 6.0875 6.7754 6.7754 7.4662 7.4662 7.7918 7.7918 8.1348 8.1348 8.7957 8.7957 9.0553 9.0553 9.6080 9.6080 10.0501 10.0501 10.2912 10.2912 10.8944 10.8944 11.4361 11.4361 13.0232 13.0232 13.1842 13.1842 k = 0.4528-0.7600 0.4210 ( 3782 PWs) bands (ev): -4.3560 -4.3560 -3.8788 -3.8788 -3.1554 -3.1554 -2.7519 -2.7519 0.9289 0.9289 1.2764 1.2764 2.6108 2.6108 3.6521 3.6521 4.8020 4.8020 5.6385 5.6385 6.0167 6.0167 6.0800 6.0800 6.7837 6.7837 7.4552 7.4552 7.7809 7.7809 8.1751 8.1751 8.8095 8.8095 9.0549 9.0549 9.6060 9.6060 10.0678 10.0678 10.3437 10.3437 10.9051 10.9051 11.4470 11.4470 13.0316 13.0316 13.2056 13.2056 k = 0.4434-0.7442 0.4123 ( 3787 PWs) bands (ev): -4.4088 -4.4088 -3.8558 -3.8558 -3.1924 -3.1924 -2.7233 -2.7233 0.9461 0.9461 1.3108 1.3108 2.6316 2.6316 3.6678 3.6678 4.7636 4.7636 5.5918 5.5918 6.0190 6.0190 6.0795 6.0795 6.7972 6.7972 7.4424 7.4424 7.7698 7.7698 8.2192 8.2192 8.8244 8.8244 9.0552 9.0552 9.6032 9.6032 10.0923 10.0923 10.4035 10.4035 10.9184 10.9184 11.4602 11.4602 13.0439 13.0439 13.2295 13.2295 k = 0.4340-0.7284 0.4035 ( 3784 PWs) bands (ev): -4.4646 -4.4646 -3.8346 -3.8346 -3.2288 -3.2288 -2.6969 -2.6969 0.9664 0.9664 1.3507 1.3507 2.6563 2.6563 3.6832 3.6832 4.7277 4.7277 5.5288 5.5288 6.0209 6.0209 6.0829 6.0829 6.8174 6.8174 7.4287 7.4287 7.7592 7.7592 8.2648 8.2648 8.8396 8.8396 9.0563 9.0563 9.5997 9.5997 10.1234 10.1234 10.4693 10.4693 10.9343 10.9343 11.4758 11.4758 13.0605 13.0605 13.2554 13.2554 k = 0.4245-0.7125 0.3947 ( 3783 PWs) bands (ev): -4.5230 -4.5230 -3.8155 -3.8155 -3.2641 -3.2641 -2.6732 -2.6732 0.9899 0.9899 1.3958 1.3958 2.6846 2.6846 3.6970 3.6970 4.6970 4.6970 5.4536 5.4536 6.0195 6.0195 6.0887 6.0887 6.8451 6.8451 7.4151 7.4151 7.7498 7.7498 8.3100 8.3100 8.8547 8.8547 9.0588 9.0588 9.5954 9.5954 10.1609 10.1609 10.5400 10.5400 10.9531 10.9531 11.4940 11.4940 13.0815 13.0815 13.2830 13.2830 k = 0.4151-0.6967 0.3859 ( 3781 PWs) bands (ev): -4.5834 -4.5834 -3.7987 -3.7987 -3.2981 -3.2981 -2.6523 -2.6523 1.0164 1.0164 1.4457 1.4457 2.7165 2.7165 3.7073 3.7073 4.6739 4.6739 5.3704 5.3704 6.0098 6.0098 6.0982 6.0982 6.8807 6.8807 7.4029 7.4029 7.7418 7.7418 8.3535 8.3535 8.8693 8.8693 9.0628 9.0628 9.5902 9.5902 10.2040 10.2040 10.6138 10.6138 10.9753 10.9753 11.5151 11.5151 13.1069 13.1069 13.3121 13.3121 k = 0.4057-0.6808 0.3772 ( 3782 PWs) bands (ev): -4.6457 -4.6457 -3.7843 -3.7843 -3.3306 -3.3306 -2.6345 -2.6345 1.0457 1.0457 1.4999 1.4999 2.7520 2.7520 3.7127 3.7127 4.6607 4.6607 5.2823 5.2823 5.9893 5.9893 6.1121 6.1121 6.9233 6.9233 7.3933 7.3933 7.7352 7.7352 8.3941 8.3941 8.8832 8.8832 9.0685 9.0685 9.5842 9.5842 10.2521 10.2521 10.6885 10.6885 11.0017 11.0017 11.5399 11.5399 13.1366 13.1366 13.3424 13.3424 k = 0.3962-0.6650 0.3684 ( 3777 PWs) bands (ev): -4.7093 -4.7093 -3.7724 -3.7724 -3.3616 -3.3616 -2.6197 -2.6197 1.0775 1.0775 1.5578 1.5578 2.7909 2.7909 3.7120 3.7120 4.6587 4.6587 5.1920 5.1920 5.9581 5.9581 6.1300 6.1300 6.9714 6.9714 7.3878 7.3878 7.7300 7.7300 8.4312 8.4312 8.8966 8.8966 9.0760 9.0760 9.5775 9.5775 10.3043 10.3043 10.7609 10.7609 11.0335 11.0335 11.5694 11.5694 13.1703 13.1703 13.3739 13.3739 k = 0.3868-0.6492 0.3596 ( 3777 PWs) bands (ev): -4.7741 -4.7741 -3.7630 -3.7630 -3.3908 -3.3908 -2.6080 -2.6080 1.1117 1.1117 1.6187 1.6187 2.8330 2.8330 3.7050 3.7050 4.6687 4.6687 5.1016 5.1016 5.9181 5.9181 6.1510 6.1510 7.0225 7.0225 7.3879 7.3879 7.7262 7.7262 8.4648 8.4648 8.9095 8.9095 9.0851 9.0851 9.5700 9.5700 10.3598 10.3598 10.8272 10.8272 11.0721 11.0721 11.6049 11.6049 13.2076 13.2076 13.4064 13.4064 k = 0.3774-0.6333 0.3509 ( 3776 PWs) bands (ev): -4.8398 -4.8398 -3.7560 -3.7560 -3.4182 -3.4182 -2.5992 -2.5992 1.1478 1.1478 1.6818 1.6818 2.8781 2.8781 3.6921 3.6921 4.6903 4.6903 5.0129 5.0129 5.8712 5.8712 6.1745 6.1745 7.0736 7.0736 7.3953 7.3953 7.7236 7.7236 8.4946 8.4946 8.9220 8.9220 9.0956 9.0956 9.5620 9.5620 10.4182 10.4182 10.8841 10.8841 11.1179 11.1179 11.6482 11.6482 13.2480 13.2480 13.4399 13.4399 k = 0.3679-0.6175 0.3421 ( 3771 PWs) bands (ev): -4.9060 -4.9060 -3.7514 -3.7514 -3.4437 -3.4437 -2.5933 -2.5933 1.1854 1.1854 1.7461 1.7461 2.9257 2.9257 3.6749 3.6749 4.7222 4.7222 4.9275 4.9275 5.8200 5.8200 6.2002 6.2002 7.1210 7.1210 7.4122 7.4122 7.7224 7.7224 8.5212 8.5212 8.9345 8.9345 9.1073 9.1073 9.5534 9.5534 10.4786 10.4786 10.9305 10.9305 11.1689 11.1689 11.7012 11.7012 13.2908 13.2908 13.4742 13.4742 k = 0.3585-0.6017 0.3333 ( 3775 PWs) bands (ev): -4.9726 -4.9726 -3.7491 -3.7491 -3.4674 -3.4674 -2.5902 -2.5902 1.2240 1.2240 1.8105 1.8105 2.9752 2.9752 3.6553 3.6553 4.7620 4.7620 4.8469 4.8469 5.7668 5.7668 6.2279 6.2279 7.1616 7.1616 7.4405 7.4405 7.7228 7.7228 8.5447 8.5447 8.9469 8.9469 9.1198 9.1198 9.5442 9.5442 10.5406 10.5406 10.9679 10.9679 11.2212 11.2212 11.7652 11.7652 13.3355 13.3355 13.5091 13.5091 k = 0.3491-0.5858 0.3245 ( 3775 PWs) bands (ev): -5.0393 -5.0393 -3.7490 -3.7490 -3.4894 -3.4894 -2.5895 -2.5895 1.2630 1.2630 1.8737 1.8737 3.0254 3.0254 3.6364 3.6364 4.7682 4.7682 4.8115 4.8115 5.7146 5.7146 6.2574 6.2574 7.1938 7.1938 7.4799 7.4799 7.7254 7.7254 8.5657 8.5657 8.9593 8.9593 9.1330 9.1330 9.5347 9.5347 10.6038 10.6038 10.9985 10.9985 11.2710 11.2710 11.8404 11.8404 13.3813 13.3813 13.5444 13.5444 k = 0.3396-0.5700 0.3158 ( 3773 PWs) bands (ev): -5.1059 -5.1059 -3.7509 -3.7509 -3.5097 -3.5097 -2.5912 -2.5912 1.3019 1.3019 1.9344 1.9344 3.0745 3.0745 3.6218 3.6218 4.7011 4.7011 4.8590 4.8590 5.6667 5.6667 6.2886 6.2886 7.2186 7.2186 7.5272 7.5272 7.7317 7.7317 8.5847 8.5847 8.9719 8.9719 9.1465 9.1465 9.5248 9.5248 10.6674 10.6674 11.0241 11.0241 11.3164 11.3164 11.9252 11.9252 13.4274 13.4274 13.5798 13.5798 k = 0.3302-0.5542 0.3070 ( 3772 PWs) bands (ev): -5.1722 -5.1722 -3.7546 -3.7546 -3.5284 -3.5284 -2.5950 -2.5950 1.3399 1.3399 1.9909 1.9909 3.1196 3.1196 3.6159 3.6159 4.6402 4.6402 4.9067 4.9067 5.6274 5.6274 6.3213 6.3213 7.2382 7.2382 7.5763 7.5763 7.7448 7.7448 8.6019 8.6019 8.9847 8.9847 9.1602 9.1602 9.5147 9.5147 10.7311 10.7311 11.0460 11.0460 11.3576 11.3576 12.0171 12.0171 13.4730 13.4730 13.6148 13.6148 k = 0.3208-0.5383 0.2982 ( 3768 PWs) bands (ev): -5.2381 -5.2381 -3.7598 -3.7598 -3.5458 -3.5458 -2.6007 -2.6007 1.3764 1.3764 2.0419 2.0419 3.1569 3.1569 3.6240 3.6240 4.5874 4.5874 4.9491 4.9491 5.6019 5.6019 6.3555 6.3555 7.2549 7.2549 7.6188 7.6188 7.7702 7.7702 8.6179 8.6179 8.9974 8.9974 9.1740 9.1740 9.5043 9.5043 10.7941 10.7941 11.0647 11.0647 11.3957 11.3957 12.1129 12.1129 13.5172 13.5172 13.6489 13.6489 k = 0.3113-0.5225 0.2895 ( 3767 PWs) bands (ev): -5.3033 -5.3033 -3.7662 -3.7662 -3.5620 -3.5620 -2.6080 -2.6080 1.4106 1.4106 2.0858 2.0858 3.1830 3.1830 3.6508 3.6508 4.5433 4.5433 4.9814 4.9814 5.5954 5.5954 6.3911 6.3911 7.2702 7.2702 7.6479 7.6479 7.8128 7.8128 8.6328 8.6328 9.0102 9.0102 9.1878 9.1878 9.4938 9.4938 10.8555 10.8555 11.0807 11.0807 11.4323 11.4323 12.2090 12.2090 13.5590 13.5590 13.6817 13.6817 k = 0.3019-0.5067 0.2807 ( 3769 PWs) bands (ev): -5.3677 -5.3677 -3.7735 -3.7735 -3.5773 -3.5773 -2.6167 -2.6167 1.4416 1.4416 2.1214 2.1214 3.1975 3.1975 3.6977 3.6977 4.5081 4.5081 5.0011 5.0011 5.6117 5.6117 6.4278 6.4278 7.2852 7.2852 7.6650 7.6650 7.8698 7.8698 8.6470 8.6470 9.0230 9.0230 9.2015 9.2015 9.4832 9.4832 10.9141 10.9141 11.0943 11.0943 11.4691 11.4691 12.3020 12.3020 13.5974 13.5974 13.7127 13.7127 k = 0.2925-0.4908 0.2719 ( 3770 PWs) bands (ev): -5.4311 -5.4311 -3.7815 -3.7815 -3.5920 -3.5920 -2.6266 -2.6266 1.4689 1.4689 2.1477 2.1477 3.2029 3.2029 3.7622 3.7622 4.4819 4.4819 5.0095 5.0095 5.6510 5.6510 6.4657 6.4657 7.3006 7.3006 7.6755 7.6755 7.9349 7.9349 8.6604 8.6604 9.0358 9.0358 9.2151 9.2151 9.4726 9.4726 10.9684 10.9684 11.1059 11.1059 11.5078 11.5078 12.3883 12.3883 13.6312 13.6312 13.7420 13.7420 k = 0.2830-0.4750 0.2631 ( 3770 PWs) bands (ev): -5.4935 -5.4935 -3.7899 -3.7899 -3.6060 -3.6060 -2.6376 -2.6376 1.4917 1.4917 2.1638 2.1638 3.2035 3.2035 3.8392 3.8392 4.4653 4.4653 5.0114 5.0114 5.7096 5.7096 6.5046 6.5046 7.3167 7.3167 7.6831 7.6831 8.0040 8.0040 8.6732 8.6732 9.0485 9.0485 9.2286 9.2286 9.4621 9.4621 11.0162 11.0162 11.1166 11.1166 11.5499 11.5499 12.4639 12.4639 13.6594 13.6594 13.7702 13.7702 k = 0.2736-0.4592 0.2544 ( 3774 PWs) bands (ev): -5.5547 -5.5547 -3.7985 -3.7985 -3.6197 -3.6197 -2.6494 -2.6494 1.5096 1.5096 2.1696 2.1696 3.2029 3.2029 3.9226 3.9226 4.4602 4.4602 5.0130 5.0130 5.7831 5.7831 6.5444 6.5444 7.3340 7.3340 7.6895 7.6895 8.0749 8.0749 8.6855 8.6855 9.0610 9.0610 9.2418 9.2418 9.4519 9.4519 11.0542 11.0542 11.1282 11.1282 11.5969 11.5969 12.5252 12.5252 13.6810 13.6810 13.7987 13.7987 k = 0.2642-0.4433 0.2456 ( 3772 PWs) bands (ev): -5.6145 -5.6145 -3.8071 -3.8071 -3.6330 -3.6330 -2.6618 -2.6618 1.5221 1.5221 2.1652 2.1652 3.2033 3.2033 4.0046 4.0046 4.4706 4.4706 5.0195 5.0195 5.8673 5.8673 6.5850 6.5850 7.3525 7.3525 7.6955 7.6955 8.1465 8.1465 8.6971 8.6971 9.0734 9.0734 9.2548 9.2548 9.4419 9.4419 11.0786 11.0786 11.1436 11.1436 11.6496 11.6496 12.5682 12.5682 13.6960 13.6960 13.8293 13.8293 k = 0.2547-0.4275 0.2368 ( 3766 PWs) bands (ev): -5.6729 -5.6729 -3.8155 -3.8155 -3.6460 -3.6460 -2.6748 -2.6748 1.5291 1.5291 2.1514 2.1514 3.2056 3.2056 4.0762 4.0762 4.5034 4.5034 5.0346 5.0346 5.9592 5.9592 6.6263 6.6263 7.3726 7.3726 7.7017 7.7017 8.2182 8.2182 8.7082 8.7082 9.0857 9.0857 9.2675 9.2675 9.4326 9.4326 11.0895 11.0895 11.1621 11.1621 11.7082 11.7082 12.5903 12.5903 13.7052 13.7052 13.8638 13.8638 k = 0.2453-0.4117 0.2281 ( 3769 PWs) bands (ev): -5.7298 -5.7298 -3.8238 -3.8238 -3.6587 -3.6587 -2.6882 -2.6882 1.5306 1.5306 2.1292 2.1292 3.2090 3.2090 4.1303 4.1303 4.5644 4.5644 5.0603 5.0603 6.0565 6.0565 6.6683 6.6683 7.3944 7.3944 7.7083 7.7083 8.2895 8.2895 8.7187 8.7187 9.0978 9.0978 9.2795 9.2795 9.4239 9.4239 11.0917 11.0917 11.1791 11.1791 11.7721 11.7721 12.5903 12.5903 13.7089 13.7089 13.9035 13.9035 k = 0.2358-0.3958 0.2193 ( 3771 PWs) bands (ev): -5.7851 -5.7851 -3.8319 -3.8319 -3.6710 -3.6710 -2.7018 -2.7018 1.5268 1.5268 2.0999 2.0999 3.2123 3.2123 4.1680 4.1680 4.6522 4.6522 5.0981 5.0981 6.1578 6.1578 6.7110 6.7110 7.4180 7.4180 7.7154 7.7154 8.3600 8.3600 8.7286 8.7286 9.1098 9.1098 9.2906 9.2906 9.4165 9.4165 11.0886 11.0886 11.1914 11.1914 11.8399 11.8399 12.5694 12.5694 13.7073 13.7073 13.9486 13.9486 k = 0.2264-0.3800 0.2105 ( 3768 PWs) bands (ev): -5.8388 -5.8388 -3.8398 -3.8398 -3.6828 -3.6828 -2.7155 -2.7155 1.5180 1.5180 2.0652 2.0652 3.2134 3.2134 4.1971 4.1971 4.7584 4.7584 5.1488 5.1488 6.2620 6.2620 6.7543 6.7543 7.4435 7.4435 7.7230 7.7230 8.4294 8.4294 8.7382 8.7382 9.1216 9.1216 9.3003 9.3003 9.4110 9.4110 11.0818 11.0818 11.1983 11.1983 11.9091 11.9091 12.5313 12.5313 13.7001 13.7001 13.9968 13.9968 k = 0.2170-0.3642 0.2017 ( 3768 PWs) bands (ev): -5.8906 -5.8906 -3.8476 -3.8476 -3.6941 -3.6941 -2.7294 -2.7294 1.5048 1.5048 2.0263 2.0263 3.2103 3.2103 4.2264 4.2264 4.8729 4.8729 5.2140 5.2140 6.3681 6.3681 6.7984 6.7984 7.4709 7.4709 7.7314 7.7314 8.4970 8.4970 8.7478 8.7478 9.1332 9.1332 9.3078 9.3078 9.4081 9.4081 11.0718 11.0718 11.1999 11.1999 11.9749 11.9749 12.4825 12.4825 13.6871 13.6871 14.0400 14.0400 k = 0.2075-0.3483 0.1930 ( 3766 PWs) bands (ev): -5.9407 -5.9407 -3.8553 -3.8553 -3.7046 -3.7046 -2.7432 -2.7432 1.4875 1.4875 1.9846 1.9846 3.2013 3.2013 4.2617 4.2617 4.9866 4.9866 5.2964 5.2964 6.4754 6.4754 6.8436 6.8436 7.5002 7.5002 7.7404 7.7404 8.5616 8.5616 8.7586 8.7586 9.1447 9.1447 9.3126 9.3126 9.4086 9.4086 11.0591 11.0591 11.1964 11.1964 12.0285 12.0285 12.4343 12.4343 13.6684 13.6684 14.0600 14.0600 k = 0.1981-0.3325 0.1842 ( 3764 PWs) bands (ev): -5.9888 -5.9888 -3.8631 -3.8631 -3.7142 -3.7142 -2.7569 -2.7569 1.4667 1.4667 1.9414 1.9414 3.1856 3.1856 4.3063 4.3063 5.0922 5.0922 5.3987 5.3987 6.5831 6.5831 6.8903 6.8903 7.5311 7.5311 7.7504 7.7504 8.6203 8.6203 8.7729 8.7729 9.1560 9.1560 9.3146 9.3146 9.4126 9.4126 11.0436 11.0436 11.1884 11.1884 12.0520 12.0520 12.4062 12.4062 13.6448 13.6448 14.0431 14.0431 k = 0.1887-0.3167 0.1754 ( 3762 PWs) bands (ev): -6.0351 -6.0351 -3.8710 -3.8710 -3.7228 -3.7228 -2.7705 -2.7705 1.4430 1.4430 1.8976 1.8976 3.1632 3.1632 4.3616 4.3616 5.1865 5.1865 5.5206 5.5206 6.6901 6.6901 6.9394 6.9394 7.5632 7.5632 7.7615 7.7615 8.6675 8.6675 8.7962 8.7962 9.1674 9.1674 9.3144 9.3144 9.4199 9.4199 11.0255 11.0255 11.1762 11.1762 12.0276 12.0276 12.4170 12.4170 13.6170 13.6170 14.0006 14.0006 k = 0.1792-0.3008 0.1667 ( 3763 PWs) bands (ev): -6.0793 -6.0793 -3.8791 -3.8791 -3.7302 -3.7302 -2.7840 -2.7840 1.4168 1.4168 1.8540 1.8540 3.1347 3.1347 4.4276 4.4276 5.2706 5.2706 5.6579 5.6579 6.7948 6.7948 6.9924 6.9924 7.5957 7.5957 7.7741 7.7741 8.6971 8.6971 8.8336 8.8336 9.1790 9.1790 9.3132 9.3132 9.4295 9.4295 11.0050 11.0050 11.1600 11.1600 11.9617 11.9617 12.4609 12.4609 13.5860 13.5860 13.9440 13.9440 k = 0.1698-0.2850 0.1579 ( 3761 PWs) bands (ev): -6.1216 -6.1216 -3.8875 -3.8875 -3.7364 -3.7364 -2.7972 -2.7972 1.3888 1.3888 1.8114 1.8114 3.1013 3.1013 4.5035 4.5035 5.3474 5.3474 5.8053 5.8053 6.8940 6.8940 7.0526 7.0526 7.6276 7.6276 7.7893 7.7893 8.7116 8.7116 8.8819 8.8819 9.1913 9.1913 9.3125 9.3125 9.4407 9.4407 10.9822 10.9822 11.1401 11.1401 11.8727 11.8727 12.5186 12.5186 13.5530 13.5530 13.8788 13.8788 k = 0.1604-0.2692 0.1491 ( 3765 PWs) bands (ev): -6.1617 -6.1617 -3.8962 -3.8962 -3.7412 -3.7412 -2.8101 -2.8101 1.3594 1.3594 1.7701 1.7701 3.0642 3.0642 4.5880 4.5880 5.4188 5.4188 5.9585 5.9585 6.9826 6.9826 7.1248 7.1248 7.6572 7.6572 7.8082 7.8082 8.7172 8.7172 8.9328 8.9328 9.2051 9.2051 9.3137 9.3137 9.4527 9.4527 10.9571 10.9571 11.1163 11.1163 11.7725 11.7725 12.5765 12.5765 13.5194 13.5194 13.8093 13.8093 k = 0.1509-0.2533 0.1403 ( 3763 PWs) bands (ev): -6.1997 -6.1997 -3.9051 -3.9051 -3.7448 -3.7448 -2.8228 -2.8228 1.3290 1.3290 1.7307 1.7307 3.0247 3.0247 4.6801 4.6801 5.4857 5.4857 6.1143 6.1143 7.0576 7.0576 7.2120 7.2120 7.6827 7.6827 7.8323 7.8323 8.7181 8.7181 8.9798 8.9798 9.2213 9.2213 9.3191 9.3191 9.4652 9.4652 10.9300 10.9300 11.0888 11.0888 11.6674 11.6674 12.6254 12.6254 13.4869 13.4869 13.7395 13.7395 k = 0.1415-0.2375 0.1316 ( 3761 PWs) bands (ev): -6.2356 -6.2356 -3.9142 -3.9142 -3.7471 -3.7471 -2.8351 -2.8351 1.2983 1.2983 1.6933 1.6933 2.9837 2.9837 4.7782 4.7782 5.5487 5.5487 6.2703 6.2703 7.1223 7.1223 7.3105 7.3105 7.7031 7.7031 7.8627 7.8627 8.7161 8.7161 9.0182 9.0182 9.2397 9.2397 9.3319 9.3319 9.4778 9.4778 10.9010 10.9010 11.0571 11.0571 11.5612 11.5612 12.6571 12.6571 13.4568 13.4568 13.6741 13.6741 k = 0.1321-0.2217 0.1228 ( 3762 PWs) bands (ev): -6.2693 -6.2693 -3.9234 -3.9234 -3.7483 -3.7483 -2.8469 -2.8469 1.2676 1.2676 1.6582 1.6582 2.9424 2.9424 4.8812 4.8812 5.6075 5.6075 6.4245 6.4245 7.1817 7.1817 7.4141 7.4141 7.7189 7.7189 7.8992 7.8992 8.7120 8.7120 9.0453 9.0453 9.2574 9.2574 9.3570 9.3570 9.4904 9.4904 10.8703 10.8703 11.0207 11.0207 11.4571 11.4571 12.6644 12.6644 13.4296 13.4296 13.6178 13.6178 k = 0.1226-0.2058 0.1140 ( 3760 PWs) bands (ev): -6.3008 -6.3008 -3.9325 -3.9325 -3.7486 -3.7486 -2.8584 -2.8584 1.2373 1.2373 1.6254 1.6254 2.9015 2.9015 4.9880 4.9880 5.6621 5.6621 6.5752 6.5752 7.2387 7.2387 7.5169 7.5169 7.7331 7.7331 7.9409 7.9409 8.7066 8.7066 9.0615 9.0615 9.2714 9.2714 9.3962 9.3962 9.5030 9.5030 10.8379 10.8379 10.9791 10.9791 11.3580 11.3580 12.6424 12.6424 13.4030 13.4030 13.5735 13.5735 k = 0.1132-0.1900 0.1053 ( 3756 PWs) bands (ev): -6.3301 -6.3301 -3.9415 -3.9415 -3.7479 -3.7479 -2.8694 -2.8694 1.2079 1.2079 1.5951 1.5951 2.8616 2.8616 5.0974 5.0974 5.7124 5.7124 6.7206 6.7206 7.2941 7.2941 7.6085 7.6085 7.7544 7.7544 7.9875 7.9875 8.7005 8.7005 9.0693 9.0693 9.2819 9.2819 9.4456 9.4456 9.5164 9.5164 10.8035 10.8035 10.9317 10.9317 11.2670 11.2670 12.5910 12.5910 13.3738 13.3738 13.5379 13.5379 k = 0.1038-0.1742 0.0965 ( 3755 PWs) bands (ev): -6.3571 -6.3571 -3.9503 -3.9503 -3.7466 -3.7466 -2.8798 -2.8798 1.1797 1.1797 1.5673 1.5673 2.8233 2.8233 5.2082 5.2082 5.7582 5.7582 6.8592 6.8592 7.3475 7.3475 7.6660 7.6660 7.8031 7.8031 8.0402 8.0402 8.6944 8.6944 9.0715 9.0715 9.2904 9.2904 9.4952 9.4952 9.5357 9.5357 10.7659 10.7659 10.8794 10.8794 11.1866 11.1866 12.5144 12.5144 13.3410 13.3410 13.5005 13.5005 k = 0.0943-0.1583 0.0877 ( 3753 PWs) bands (ev): -6.3818 -6.3818 -3.9586 -3.9586 -3.7448 -3.7448 -2.8896 -2.8896 1.1530 1.1530 1.5419 1.5419 2.7871 2.7871 5.3192 5.3192 5.7998 5.7998 6.9895 6.9895 7.3976 7.3976 7.6864 7.6864 7.8778 7.8778 8.1024 8.1024 8.6891 8.6891 9.0704 9.0704 9.2980 9.2980 9.5230 9.5230 9.5792 9.5792 10.7226 10.7226 10.8259 10.8259 11.1177 11.1177 12.4187 12.4187 13.3051 13.3051 13.4526 13.4526 k = 0.0849-0.1425 0.0789 ( 3747 PWs) bands (ev): -6.4042 -6.4042 -3.9664 -3.9664 -3.7425 -3.7425 -2.8988 -2.8988 1.1281 1.1281 1.5190 1.5190 2.7534 2.7534 5.4291 5.4291 5.8371 5.8371 7.1102 7.1102 7.4419 7.4419 7.6938 7.6938 7.9495 7.9495 8.1787 8.1787 8.6856 8.6856 9.0677 9.0677 9.3050 9.3050 9.5358 9.5358 9.6375 9.6375 10.6705 10.6705 10.7776 10.7776 11.0598 11.0598 12.3099 12.3099 13.2644 13.2644 13.3970 13.3970 k = 0.0755-0.1267 0.0702 ( 3743 PWs) bands (ev): -6.4243 -6.4243 -3.9736 -3.9736 -3.7401 -3.7401 -2.9072 -2.9072 1.1052 1.1052 1.4986 1.4986 2.7225 2.7225 5.5363 5.5363 5.8707 5.8707 7.2200 7.2200 7.4762 7.4762 7.7018 7.7018 8.0049 8.0049 8.2691 8.2691 8.6850 8.6850 9.0647 9.0647 9.3116 9.3116 9.5450 9.5450 9.6972 9.6972 10.6102 10.6102 10.7377 10.7377 11.0109 11.0109 12.1934 12.1934 13.2142 13.2142 13.3446 13.3446 k = 0.0660-0.1108 0.0614 ( 3741 PWs) bands (ev): -6.4421 -6.4421 -3.9802 -3.9802 -3.7375 -3.7375 -2.9149 -2.9149 1.0846 1.0846 1.4806 1.4806 2.6946 2.6946 5.6387 5.6387 5.9011 5.9011 7.3176 7.3176 7.4956 7.4956 7.7185 7.7185 8.0437 8.0437 8.3661 8.3661 8.6887 8.6887 9.0632 9.0632 9.3177 9.3177 9.5525 9.5525 9.7548 9.7548 10.5474 10.5474 10.7048 10.7048 10.9692 10.9692 12.0737 12.0737 13.1516 13.1516 13.3041 13.3041 k = 0.0566-0.0950 0.0526 ( 3742 PWs) bands (ev): -6.4575 -6.4575 -3.9860 -3.9860 -3.7350 -3.7350 -2.9217 -2.9217 1.0665 1.0665 1.4650 1.4650 2.6701 2.6701 5.7332 5.7332 5.9298 5.9298 7.4007 7.4007 7.4996 7.4996 7.7473 7.7473 8.0690 8.0690 8.4596 8.4596 8.6982 8.6982 9.0651 9.0651 9.3234 9.3234 9.5585 9.5585 9.8082 9.8082 10.4881 10.4881 10.6766 10.6766 10.9337 10.9337 11.9553 11.9553 13.0818 13.0818 13.2756 13.2756 k = 0.0472-0.0792 0.0439 ( 3739 PWs) bands (ev): -6.4706 -6.4706 -3.9910 -3.9910 -3.7327 -3.7327 -2.9276 -2.9276 1.0509 1.0509 1.4519 1.4519 2.6490 2.6490 5.8151 5.8151 5.9596 5.9596 7.4580 7.4580 7.5024 7.5024 7.7863 7.7863 8.0827 8.0827 8.5392 8.5392 8.7148 8.7148 9.0732 9.0732 9.3284 9.3284 9.5631 9.5631 9.8559 9.8559 10.4365 10.4365 10.6512 10.6512 10.9037 10.9037 11.8425 11.8425 13.0122 13.0122 13.2552 13.2552 k = 0.0377-0.0633 0.0351 ( 3738 PWs) bands (ev): -6.4813 -6.4813 -3.9951 -3.9951 -3.7306 -3.7306 -2.9325 -2.9325 1.0380 1.0380 1.4411 1.4411 2.6315 2.6315 5.8768 5.8768 5.9957 5.9957 7.4572 7.4572 7.5415 7.5415 7.8311 7.8311 8.0861 8.0861 8.5978 8.5978 8.7374 8.7374 9.0899 9.0899 9.3327 9.3327 9.5661 9.5661 9.8964 9.8964 10.3958 10.3958 10.6278 10.6278 10.8791 10.8791 11.7402 11.7402 12.9485 12.9485 13.2403 13.2403 k = 0.0283-0.0475 0.0263 ( 3732 PWs) bands (ev): -6.4896 -6.4896 -3.9984 -3.9984 -3.7289 -3.7289 -2.9364 -2.9364 1.0278 1.0278 1.4328 1.4328 2.6178 2.6178 5.9144 5.9144 6.0390 6.0390 7.4385 7.4385 7.5823 7.5823 7.8779 7.8779 8.0801 8.0801 8.6360 8.6360 8.7597 8.7597 9.1151 9.1151 9.3361 9.3361 9.5676 9.5676 9.9282 9.9282 10.3677 10.3677 10.6059 10.6059 10.8599 10.8599 11.6532 11.6532 12.8948 12.8948 13.2297 13.2297 k = 0.0189-0.0317 0.0175 ( 3734 PWs) bands (ev): -6.4956 -6.4956 -4.0008 -4.0008 -3.7276 -3.7276 -2.9392 -2.9392 1.0206 1.0206 1.4268 1.4268 2.6080 2.6080 5.9346 5.9346 6.0800 6.0800 7.4202 7.4202 7.6116 7.6116 7.9232 7.9232 8.0657 8.0657 8.6600 8.6600 8.7749 8.7749 9.1433 9.1433 9.3383 9.3383 9.5677 9.5677 9.9507 9.9507 10.3520 10.3520 10.5864 10.5864 10.8463 10.8463 11.5865 11.5865 12.8542 12.8542 13.2225 13.2225 k = 0.0094-0.0158 0.0088 ( 3733 PWs) bands (ev): -6.4991 -6.4991 -4.0022 -4.0022 -3.7268 -3.7268 -2.9409 -2.9409 1.0162 1.0162 1.4233 1.4233 2.6021 2.6021 5.9445 5.9445 6.1082 6.1082 7.4073 7.4073 7.6290 7.6290 7.9633 7.9633 8.0449 8.0449 8.6739 8.6739 8.7821 8.7821 9.1655 9.1655 9.3394 9.3394 9.5673 9.5673 9.9639 9.9639 10.3458 10.3458 10.5720 10.5720 10.8382 10.8382 11.5445 11.5445 12.8289 12.8289 13.2183 13.2183 k = 0.0000 0.0000 0.0000 ( 3733 PWs) bands (ev): -6.5003 -6.5003 -4.0027 -4.0027 -3.7265 -3.7265 -2.9415 -2.9415 1.0147 1.0147 1.4221 1.4221 2.6001 2.6001 5.9476 5.9476 6.1182 6.1182 7.4026 7.4026 7.6348 7.6348 7.9856 7.9856 8.0291 8.0291 8.6786 8.6786 8.7840 8.7840 9.1739 9.1739 9.3398 9.3398 9.5671 9.5671 9.9681 9.9681 10.3445 10.3445 10.5666 10.5666 10.8355 10.8355 11.5301 11.5301 12.8203 12.8203 13.2170 13.2170 Writing output data file Si2NiSe4.save init_run : 0.31s CPU 0.45s WALL ( 1 calls) electrons : 217.55s CPU 220.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 217.54s CPU 220.39s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 379 calls) cegterg : 196.84s CPU 199.07s WALL ( 460 calls) Called by sum_band: Called by *egterg: h_psi : 130.24s CPU 131.83s WALL ( 7982 calls) s_psi : 5.64s CPU 5.66s WALL ( 7982 calls) g_psi : 0.23s CPU 0.24s WALL ( 7143 calls) cdiaghg : 60.58s CPU 61.39s WALL ( 7522 calls) cegterg:over : 6.08s CPU 6.14s WALL ( 7143 calls) cegterg:upda : 5.40s CPU 5.33s WALL ( 7143 calls) cegterg:last : 2.45s CPU 2.49s WALL ( 1244 calls) cdiaghg:chol : 3.49s CPU 3.50s WALL ( 7522 calls) cdiaghg:inve : 2.33s CPU 2.41s WALL ( 7522 calls) cdiaghg:para : 3.78s CPU 3.83s WALL ( 15044 calls) Called by h_psi: h_psi:vloc : 116.18s CPU 117.80s WALL ( 7982 calls) h_psi:vnl : 13.78s CPU 13.81s WALL ( 7982 calls) add_vuspsi : 6.81s CPU 6.75s WALL ( 7982 calls) General routines calbec : 6.94s CPU 7.04s WALL ( 7982 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 109.40s CPU 110.87s WALL ( 866184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 758 calls) Parallel routines fft_scatter : 26.50s CPU 26.98s WALL ( 866207 calls) PWSCF : 3m54.90s CPU 4m21.13s WALL This run was terminated on: 21: 4:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=