Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:43 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: ./O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 13 4 707 303 54 Max 24 14 5 713 319 60 Sum 845 489 149 25531 11287 1989 bravais-lattice index = 14 lattice parameter (alat) = 5.7114 a.u. unit-cell volume = 258.8576 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.711383 celldm(2)= 1.000000 celldm(3)= 1.512565 celldm(4)= 0.279282 celldm(5)= 0.279282 celldm(6)= -0.001214 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.001214 0.999999 0.000000 ) a(3) = ( 0.422433 0.422946 1.389432 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.001214 -0.304402 ) b(2) = ( 0.000000 1.000001 -0.304402 ) b(3) = ( 0.000000 0.000000 0.719719 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 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= 523 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 2) = ( 0.0065710 0.0065790 -0.0020027), wk = 0.0019120 k( 3) = ( 0.0131419 0.0131579 -0.0040053), wk = 0.0019120 k( 4) = ( 0.0197129 0.0197369 -0.0060079), wk = 0.0019120 k( 5) = ( 0.0262839 0.0263158 -0.0080106), wk = 0.0019120 k( 6) = ( 0.0328548 0.0328948 -0.0100132), wk = 0.0019120 k( 7) = ( 0.0394258 0.0394737 -0.0120159), wk = 0.0019120 k( 8) = ( 0.0459968 0.0460527 -0.0140185), wk = 0.0019120 k( 9) = ( 0.0525678 0.0526316 -0.0160212), wk = 0.0019120 k( 10) = ( 0.0591387 0.0592106 -0.0180238), wk = 0.0019120 k( 11) = ( 0.0657097 0.0657895 -0.0200265), wk = 0.0019120 k( 12) = ( 0.0722807 0.0723685 -0.0220291), wk = 0.0019120 k( 13) = ( 0.0788516 0.0789474 -0.0240318), wk = 0.0019120 k( 14) = ( 0.0854226 0.0855264 -0.0260344), wk = 0.0019120 k( 15) = ( 0.0919936 0.0921053 -0.0280371), wk = 0.0019120 k( 16) = ( 0.0985645 0.0986843 -0.0300397), wk = 0.0019120 k( 17) = ( 0.1051355 0.1052632 -0.0320424), wk = 0.0019120 k( 18) = ( 0.1117065 0.1118422 -0.0340450), wk = 0.0019120 k( 19) = ( 0.1182774 0.1184211 -0.0360477), wk = 0.0019120 k( 20) = ( 0.1248484 0.1250001 -0.0380503), wk = 0.0019120 k( 21) = ( 0.1314194 0.1315790 -0.0400529), wk = 0.0019120 k( 22) = ( 0.1379903 0.1381580 -0.0420556), wk = 0.0019120 k( 23) = ( 0.1445613 0.1447370 -0.0440582), wk = 0.0019120 k( 24) = ( 0.1511323 0.1513159 -0.0460609), wk = 0.0019120 k( 25) = ( 0.1577032 0.1578948 -0.0480635), wk = 0.0019120 k( 26) = ( 0.1642742 0.1644738 -0.0500662), wk = 0.0019120 k( 27) = ( 0.1708452 0.1710528 -0.0520688), wk = 0.0019120 k( 28) = ( 0.1774161 0.1776317 -0.0540715), wk = 0.0019120 k( 29) = ( 0.1839871 0.1842107 -0.0560741), wk = 0.0019120 k( 30) = ( 0.1905581 0.1907896 -0.0580768), wk = 0.0019120 k( 31) = ( 0.1971291 0.1973686 -0.0600794), wk = 0.0019120 k( 32) = ( 0.2037000 0.2039475 -0.0620821), wk = 0.0019120 k( 33) = ( 0.2102710 0.2105265 -0.0640847), wk = 0.0019120 k( 34) = ( 0.2168420 0.2171054 -0.0660874), wk = 0.0019120 k( 35) = ( 0.2234129 0.2236844 -0.0680900), wk = 0.0019120 k( 36) = ( 0.2299839 0.2302633 -0.0700927), wk = 0.0019120 k( 37) = ( 0.2365549 0.2368423 -0.0720953), wk = 0.0019120 k( 38) = ( 0.2431258 0.2434212 -0.0740980), wk = 0.0019120 k( 39) = ( 0.2496968 0.2500002 -0.0761006), wk = 0.0019120 k( 40) = ( 0.2562678 0.2565791 -0.0781032), wk = 0.0019120 k( 41) = ( 0.2628387 0.2631581 -0.0801059), wk = 0.0019120 k( 42) = ( 0.2694097 0.2697370 -0.0821085), wk = 0.0019120 k( 43) = ( 0.2759807 0.2763160 -0.0841112), wk = 0.0019120 k( 44) = ( 0.2825516 0.2828949 -0.0861138), wk = 0.0019120 k( 45) = ( 0.2891226 0.2894739 -0.0881165), wk = 0.0019120 k( 46) = ( 0.2956936 0.2960528 -0.0901191), wk = 0.0019120 k( 47) = ( 0.3022646 0.3026318 -0.0921218), wk = 0.0019120 k( 48) = ( 0.3088355 0.3092108 -0.0941244), wk = 0.0019120 k( 49) = ( 0.3154065 0.3157897 -0.0961271), wk = 0.0019120 k( 50) = ( 0.3219775 0.3223687 -0.0981297), wk = 0.0019120 k( 51) = ( 0.3285484 0.3289476 -0.1001324), wk = 0.0019120 k( 52) = ( 0.3351194 0.3355266 -0.1021350), wk = 0.0019120 k( 53) = ( 0.3416904 0.3421055 -0.1041377), wk = 0.0019120 k( 54) = ( 0.3482613 0.3486845 -0.1061403), wk = 0.0019120 k( 55) = ( 0.3548323 0.3552634 -0.1081430), wk = 0.0019120 k( 56) = ( 0.3614033 0.3618424 -0.1101456), wk = 0.0019120 k( 57) = ( 0.3679742 0.3684213 -0.1121483), wk = 0.0019120 k( 58) = ( 0.3745452 0.3750003 -0.1141509), wk = 0.0019120 k( 59) = ( 0.3811162 0.3815792 -0.1161536), wk = 0.0019120 k( 60) = ( 0.3876871 0.3881582 -0.1181562), wk = 0.0019120 k( 61) = ( 0.3942581 0.3947371 -0.1201588), wk = 0.0019120 k( 62) = ( 0.4008291 0.4013161 -0.1221615), wk = 0.0019120 k( 63) = ( 0.4074001 0.4078950 -0.1241641), wk = 0.0019120 k( 64) = ( 0.4139710 0.4144740 -0.1261668), wk = 0.0019120 k( 65) = ( 0.4205420 0.4210529 -0.1281694), wk = 0.0019120 k( 66) = ( 0.4271130 0.4276319 -0.1301721), wk = 0.0019120 k( 67) = ( 0.4336839 0.4342108 -0.1321747), wk = 0.0019120 k( 68) = ( 0.4402549 0.4407898 -0.1341774), wk = 0.0019120 k( 69) = ( 0.4468259 0.4473688 -0.1361800), wk = 0.0019120 k( 70) = ( 0.4533968 0.4539477 -0.1381827), wk = 0.0019120 k( 71) = ( 0.4599678 0.4605267 -0.1401853), wk = 0.0019120 k( 72) = ( 0.4665388 0.4671056 -0.1421880), wk = 0.0019120 k( 73) = ( 0.4731097 0.4736846 -0.1441906), wk = 0.0019120 k( 74) = ( 0.4796807 0.4802635 -0.1461933), wk = 0.0019120 k( 75) = ( 0.4862517 0.4868425 -0.1481959), wk = 0.0019120 k( 76) = ( 0.4928226 0.4934214 -0.1501986), wk = 0.0019120 k( 77) = ( 0.4993936 0.5000004 -0.1522012), wk = 0.0019120 k( 78) = ( 0.4993936 0.5000004 -0.1522012), wk = 0.0019120 k( 79) = ( 0.5020242 0.5026342 -0.1435488), wk = 0.0019120 k( 80) = ( 0.5046548 0.5052680 -0.1348964), wk = 0.0019120 k( 81) = ( 0.5072855 0.5079018 -0.1262439), wk = 0.0019120 k( 82) = ( 0.5099161 0.5105356 -0.1175915), wk = 0.0019120 k( 83) = ( 0.5125467 0.5131695 -0.1089391), wk = 0.0019120 k( 84) = ( 0.5151773 0.5158033 -0.1002867), wk = 0.0019120 k( 85) = ( 0.5178080 0.5184371 -0.0916343), wk = 0.0019120 k( 86) = ( 0.5204386 0.5210709 -0.0829818), wk = 0.0019120 k( 87) = ( 0.5230692 0.5237047 -0.0743294), wk = 0.0019120 k( 88) = ( 0.5256998 0.5263385 -0.0656770), wk = 0.0019120 k( 89) = ( 0.5283304 0.5289723 -0.0570246), wk = 0.0019120 k( 90) = ( 0.5309610 0.5316062 -0.0483722), wk = 0.0019120 k( 91) = ( 0.5335917 0.5342400 -0.0397197), wk = 0.0019120 k( 92) = ( 0.5362223 0.5368738 -0.0310673), wk = 0.0019120 k( 93) = ( 0.5388529 0.5395076 -0.0224149), wk = 0.0019120 k( 94) = ( 0.5414835 0.5421414 -0.0137625), wk = 0.0019120 k( 95) = ( 0.5441141 0.5447752 -0.0051100), wk = 0.0019120 k( 96) = ( 0.5467448 0.5474091 0.0035424), wk = 0.0019120 k( 97) = ( 0.5493754 0.5500429 0.0121948), wk = 0.0019120 k( 98) = ( 0.5520060 0.5526767 0.0208472), wk = 0.0019120 k( 99) = ( 0.5546366 0.5553105 0.0294996), wk = 0.0019120 k( 100) = ( 0.5572672 0.5579443 0.0381521), wk = 0.0019120 k( 101) = ( 0.5598979 0.5605781 0.0468045), wk = 0.0019120 k( 102) = ( 0.5625285 0.5632119 0.0554569), wk = 0.0019120 k( 103) = ( 0.5625285 0.5632119 0.0554569), wk = 0.0019120 k( 104) = ( 0.5591158 0.5597951 0.0636840), wk = 0.0019120 k( 105) = ( 0.5557031 0.5563783 0.0719111), wk = 0.0019120 k( 106) = ( 0.5522904 0.5529614 0.0801382), wk = 0.0019120 k( 107) = ( 0.5488777 0.5495446 0.0883653), wk = 0.0019120 k( 108) = ( 0.5454650 0.5461277 0.0965924), wk = 0.0019120 k( 109) = ( 0.5420523 0.5427109 0.1048194), wk = 0.0019120 k( 110) = ( 0.5386396 0.5392941 0.1130465), wk = 0.0019120 k( 111) = ( 0.5352269 0.5358772 0.1212736), wk = 0.0019120 k( 112) = ( 0.5318142 0.5324604 0.1295007), wk = 0.0019120 k( 113) = ( 0.5284015 0.5290435 0.1377278), wk = 0.0019120 k( 114) = ( 0.5249888 0.5256267 0.1459549), wk = 0.0019120 k( 115) = ( 0.5215761 0.5222098 0.1541820), wk = 0.0019120 k( 116) = ( 0.5181634 0.5187930 0.1624091), wk = 0.0019120 k( 117) = ( 0.5147507 0.5153762 0.1706362), wk = 0.0019120 k( 118) = ( 0.5113380 0.5119593 0.1788633), wk = 0.0019120 k( 119) = ( 0.5079254 0.5085425 0.1870904), wk = 0.0019120 k( 120) = ( 0.5045127 0.5051256 0.1953175), wk = 0.0019120 k( 121) = ( 0.5011000 0.5017088 0.2035446), wk = 0.0019120 k( 122) = ( 0.4976873 0.4982919 0.2117716), wk = 0.0019120 k( 123) = ( 0.4942746 0.4948751 0.2199987), wk = 0.0019120 k( 124) = ( 0.4908619 0.4914583 0.2282258), wk = 0.0019120 k( 125) = ( 0.4874492 0.4880414 0.2364529), wk = 0.0019120 k( 126) = ( 0.4840365 0.4846246 0.2446800), wk = 0.0019120 k( 127) = ( 0.4806238 0.4812077 0.2529071), wk = 0.0019120 k( 128) = ( 0.4772111 0.4777909 0.2611342), wk = 0.0019120 k( 129) = ( 0.4737984 0.4743741 0.2693613), wk = 0.0019120 k( 130) = ( 0.4703857 0.4709572 0.2775884), wk = 0.0019120 k( 131) = ( 0.4669730 0.4675404 0.2858155), wk = 0.0019120 k( 132) = ( 0.4635603 0.4641235 0.2940426), wk = 0.0019120 k( 133) = ( 0.4601476 0.4607067 0.3022697), wk = 0.0019120 k( 134) = ( 0.4567349 0.4572898 0.3104968), wk = 0.0019120 k( 135) = ( 0.4533222 0.4538730 0.3187238), wk = 0.0019120 k( 136) = ( 0.4499095 0.4504562 0.3269509), wk = 0.0019120 k( 137) = ( 0.4464968 0.4470393 0.3351780), wk = 0.0019120 k( 138) = ( 0.4430841 0.4436225 0.3434051), wk = 0.0019120 k( 139) = ( 0.4396714 0.4402056 0.3516322), wk = 0.0019120 k( 140) = ( 0.4362587 0.4367888 0.3598593), wk = 0.0019120 k( 141) = ( 0.4362587 0.4367888 0.3598593), wk = 0.0019120 k( 142) = ( 0.4295471 0.4300690 0.3598593), wk = 0.0019120 k( 143) = ( 0.4228354 0.4233491 0.3598593), wk = 0.0019120 k( 144) = ( 0.4161237 0.4166293 0.3598593), wk = 0.0019120 k( 145) = ( 0.4094121 0.4099095 0.3598593), wk = 0.0019120 k( 146) = ( 0.4027004 0.4031896 0.3598593), wk = 0.0019120 k( 147) = ( 0.3959887 0.3964698 0.3598593), wk = 0.0019120 k( 148) = ( 0.3892770 0.3897500 0.3598593), wk = 0.0019120 k( 149) = ( 0.3825654 0.3830302 0.3598593), wk = 0.0019120 k( 150) = ( 0.3758537 0.3763103 0.3598593), wk = 0.0019120 k( 151) = ( 0.3691420 0.3695905 0.3598593), wk = 0.0019120 k( 152) = ( 0.3624303 0.3628707 0.3598593), wk = 0.0019120 k( 153) = ( 0.3557187 0.3561509 0.3598593), wk = 0.0019120 k( 154) = ( 0.3490070 0.3494310 0.3598593), wk = 0.0019120 k( 155) = ( 0.3422953 0.3427112 0.3598593), wk = 0.0019120 k( 156) = ( 0.3355836 0.3359914 0.3598593), wk = 0.0019120 k( 157) = ( 0.3288720 0.3292715 0.3598593), wk = 0.0019120 k( 158) = ( 0.3221603 0.3225517 0.3598593), wk = 0.0019120 k( 159) = ( 0.3154486 0.3158319 0.3598593), wk = 0.0019120 k( 160) = ( 0.3087370 0.3091121 0.3598593), wk = 0.0019120 k( 161) = ( 0.3020253 0.3023922 0.3598593), wk = 0.0019120 k( 162) = ( 0.2953136 0.2956724 0.3598593), wk = 0.0019120 k( 163) = ( 0.2886019 0.2889526 0.3598593), wk = 0.0019120 k( 164) = ( 0.2818903 0.2822328 0.3598593), wk = 0.0019120 k( 165) = ( 0.2751786 0.2755129 0.3598593), wk = 0.0019120 k( 166) = ( 0.2684669 0.2687931 0.3598593), wk = 0.0019120 k( 167) = ( 0.2617552 0.2620733 0.3598593), wk = 0.0019120 k( 168) = ( 0.2550436 0.2553534 0.3598593), wk = 0.0019120 k( 169) = ( 0.2483319 0.2486336 0.3598593), wk = 0.0019120 k( 170) = ( 0.2416202 0.2419138 0.3598593), wk = 0.0019120 k( 171) = ( 0.2349085 0.2351940 0.3598593), wk = 0.0019120 k( 172) = ( 0.2281969 0.2284741 0.3598593), wk = 0.0019120 k( 173) = ( 0.2214852 0.2217543 0.3598593), wk = 0.0019120 k( 174) = ( 0.2147735 0.2150345 0.3598593), wk = 0.0019120 k( 175) = ( 0.2080619 0.2083147 0.3598593), wk = 0.0019120 k( 176) = ( 0.2013502 0.2015948 0.3598593), wk = 0.0019120 k( 177) = ( 0.1946385 0.1948750 0.3598593), wk = 0.0019120 k( 178) = ( 0.1879268 0.1881552 0.3598593), wk = 0.0019120 k( 179) = ( 0.1812152 0.1814353 0.3598593), wk = 0.0019120 k( 180) = ( 0.1745035 0.1747155 0.3598593), wk = 0.0019120 k( 181) = ( 0.1677918 0.1679957 0.3598593), wk = 0.0019120 k( 182) = ( 0.1610802 0.1612759 0.3598593), wk = 0.0019120 k( 183) = ( 0.1543685 0.1545560 0.3598593), wk = 0.0019120 k( 184) = ( 0.1476568 0.1478362 0.3598593), wk = 0.0019120 k( 185) = ( 0.1409451 0.1411164 0.3598593), wk = 0.0019120 k( 186) = ( 0.1342335 0.1343966 0.3598593), wk = 0.0019120 k( 187) = ( 0.1275218 0.1276767 0.3598593), wk = 0.0019120 k( 188) = ( 0.1208101 0.1209569 0.3598593), wk = 0.0019120 k( 189) = ( 0.1140984 0.1142371 0.3598593), wk = 0.0019120 k( 190) = ( 0.1073868 0.1075172 0.3598593), wk = 0.0019120 k( 191) = ( 0.1006751 0.1007974 0.3598593), wk = 0.0019120 k( 192) = ( 0.0939634 0.0940776 0.3598593), wk = 0.0019120 k( 193) = ( 0.0872518 0.0873578 0.3598593), wk = 0.0019120 k( 194) = ( 0.0805401 0.0806379 0.3598593), wk = 0.0019120 k( 195) = ( 0.0738284 0.0739181 0.3598593), wk = 0.0019120 k( 196) = ( 0.0671167 0.0671983 0.3598593), wk = 0.0019120 k( 197) = ( 0.0604051 0.0604785 0.3598593), wk = 0.0019120 k( 198) = ( 0.0536934 0.0537586 0.3598593), wk = 0.0019120 k( 199) = ( 0.0469817 0.0470388 0.3598593), wk = 0.0019120 k( 200) = ( 0.0402700 0.0403190 0.3598593), wk = 0.0019120 k( 201) = ( 0.0335584 0.0335991 0.3598593), wk = 0.0019120 k( 202) = ( 0.0268467 0.0268793 0.3598593), wk = 0.0019120 k( 203) = ( 0.0201350 0.0201595 0.3598593), wk = 0.0019120 k( 204) = ( 0.0134234 0.0134397 0.3598593), wk = 0.0019120 k( 205) = ( 0.0067117 0.0067198 0.3598593), wk = 0.0019120 k( 206) = ( 0.0000000 0.0000000 0.3598593), wk = 0.0019120 k( 207) = ( 0.0000000 0.0000000 0.3598593), wk = 0.0019120 k( 208) = ( 0.0067568 -0.0067486 0.3598593), wk = 0.0019120 k( 209) = ( 0.0135135 -0.0134971 0.3598593), wk = 0.0019120 k( 210) = ( 0.0202703 -0.0202457 0.3598593), wk = 0.0019120 k( 211) = ( 0.0270270 -0.0269942 0.3598593), wk = 0.0019120 k( 212) = ( 0.0337838 -0.0337428 0.3598593), wk = 0.0019120 k( 213) = ( 0.0405405 -0.0404913 0.3598593), wk = 0.0019120 k( 214) = ( 0.0472973 -0.0472399 0.3598593), wk = 0.0019120 k( 215) = ( 0.0540540 -0.0539885 0.3598593), wk = 0.0019120 k( 216) = ( 0.0608108 -0.0607370 0.3598593), wk = 0.0019120 k( 217) = ( 0.0675676 -0.0674856 0.3598593), wk = 0.0019120 k( 218) = ( 0.0743243 -0.0742341 0.3598593), wk = 0.0019120 k( 219) = ( 0.0810811 -0.0809827 0.3598593), wk = 0.0019120 k( 220) = ( 0.0878378 -0.0877312 0.3598593), wk = 0.0019120 k( 221) = ( 0.0945946 -0.0944798 0.3598593), wk = 0.0019120 k( 222) = ( 0.1013514 -0.1012284 0.3598593), wk = 0.0019120 k( 223) = ( 0.1081081 -0.1079769 0.3598593), wk = 0.0019120 k( 224) = ( 0.1148649 -0.1147255 0.3598593), wk = 0.0019120 k( 225) = ( 0.1216216 -0.1214740 0.3598593), wk = 0.0019120 k( 226) = ( 0.1283784 -0.1282226 0.3598593), wk = 0.0019120 k( 227) = ( 0.1351351 -0.1349712 0.3598593), wk = 0.0019120 k( 228) = ( 0.1418919 -0.1417197 0.3598593), wk = 0.0019120 k( 229) = ( 0.1486486 -0.1484683 0.3598593), wk = 0.0019120 k( 230) = ( 0.1554054 -0.1552168 0.3598593), wk = 0.0019120 k( 231) = ( 0.1621622 -0.1619654 0.3598593), wk = 0.0019120 k( 232) = ( 0.1689189 -0.1687139 0.3598593), wk = 0.0019120 k( 233) = ( 0.1756757 -0.1754625 0.3598593), wk = 0.0019120 k( 234) = ( 0.1824324 -0.1822110 0.3598593), wk = 0.0019120 k( 235) = ( 0.1891892 -0.1889596 0.3598593), wk = 0.0019120 k( 236) = ( 0.1959460 -0.1957082 0.3598593), wk = 0.0019120 k( 237) = ( 0.2027027 -0.2024567 0.3598593), wk = 0.0019120 k( 238) = ( 0.2094595 -0.2092053 0.3598593), wk = 0.0019120 k( 239) = ( 0.2162162 -0.2159538 0.3598593), wk = 0.0019120 k( 240) = ( 0.2229730 -0.2227024 0.3598593), wk = 0.0019120 k( 241) = ( 0.2297297 -0.2294509 0.3598593), wk = 0.0019120 k( 242) = ( 0.2364865 -0.2361995 0.3598593), wk = 0.0019120 k( 243) = ( 0.2432432 -0.2429481 0.3598593), wk = 0.0019120 k( 244) = ( 0.2500000 -0.2496966 0.3598593), wk = 0.0019120 k( 245) = ( 0.2567568 -0.2564452 0.3598593), wk = 0.0019120 k( 246) = ( 0.2635135 -0.2631937 0.3598593), wk = 0.0019120 k( 247) = ( 0.2702703 -0.2699423 0.3598593), wk = 0.0019120 k( 248) = ( 0.2770270 -0.2766909 0.3598593), wk = 0.0019120 k( 249) = ( 0.2837838 -0.2834394 0.3598593), wk = 0.0019120 k( 250) = ( 0.2905405 -0.2901880 0.3598593), wk = 0.0019120 k( 251) = ( 0.2972973 -0.2969365 0.3598593), wk = 0.0019120 k( 252) = ( 0.3040541 -0.3036851 0.3598593), wk = 0.0019120 k( 253) = ( 0.3108108 -0.3104336 0.3598593), wk = 0.0019120 k( 254) = ( 0.3175676 -0.3171822 0.3598593), wk = 0.0019120 k( 255) = ( 0.3243243 -0.3239307 0.3598593), wk = 0.0019120 k( 256) = ( 0.3310811 -0.3306793 0.3598593), wk = 0.0019120 k( 257) = ( 0.3378378 -0.3374279 0.3598593), wk = 0.0019120 k( 258) = ( 0.3445946 -0.3441764 0.3598593), wk = 0.0019120 k( 259) = ( 0.3513514 -0.3509250 0.3598593), wk = 0.0019120 k( 260) = ( 0.3581081 -0.3576735 0.3598593), wk = 0.0019120 k( 261) = ( 0.3648649 -0.3644221 0.3598593), wk = 0.0019120 k( 262) = ( 0.3716216 -0.3711707 0.3598593), wk = 0.0019120 k( 263) = ( 0.3783784 -0.3779192 0.3598593), wk = 0.0019120 k( 264) = ( 0.3851351 -0.3846678 0.3598593), wk = 0.0019120 k( 265) = ( 0.3918919 -0.3914163 0.3598593), wk = 0.0019120 k( 266) = ( 0.3986486 -0.3981649 0.3598593), wk = 0.0019120 k( 267) = ( 0.4054054 -0.4049134 0.3598593), wk = 0.0019120 k( 268) = ( 0.4121622 -0.4116620 0.3598593), wk = 0.0019120 k( 269) = ( 0.4189189 -0.4184106 0.3598593), wk = 0.0019120 k( 270) = ( 0.4256757 -0.4251591 0.3598593), wk = 0.0019120 k( 271) = ( 0.4324324 -0.4319077 0.3598593), wk = 0.0019120 k( 272) = ( 0.4391892 -0.4386562 0.3598593), wk = 0.0019120 k( 273) = ( 0.4459459 -0.4454048 0.3598593), wk = 0.0019120 k( 274) = ( 0.4527027 -0.4521533 0.3598593), wk = 0.0019120 k( 275) = ( 0.4594595 -0.4589019 0.3598593), wk = 0.0019120 k( 276) = ( 0.4662162 -0.4656505 0.3598593), wk = 0.0019120 k( 277) = ( 0.4729730 -0.4723990 0.3598593), wk = 0.0019120 k( 278) = ( 0.4797297 -0.4791476 0.3598593), wk = 0.0019120 k( 279) = ( 0.4864865 -0.4858961 0.3598593), wk = 0.0019120 k( 280) = ( 0.4932432 -0.4926447 0.3598593), wk = 0.0019120 k( 281) = ( 0.5000000 -0.4993932 0.3598593), wk = 0.0019120 k( 282) = ( 0.5000000 -0.4993932 0.3598593), wk = 0.0019120 k( 283) = ( 0.4937472 -0.5056537 0.3598593), wk = 0.0019120 k( 284) = ( 0.4874943 -0.5119141 0.3598593), wk = 0.0019120 k( 285) = ( 0.4812415 -0.5181746 0.3598593), wk = 0.0019120 k( 286) = ( 0.4749886 -0.5244350 0.3598593), wk = 0.0019120 k( 287) = ( 0.4687358 -0.5306955 0.3598593), wk = 0.0019120 k( 288) = ( 0.4624829 -0.5369559 0.3598593), wk = 0.0019120 k( 289) = ( 0.4562301 -0.5432164 0.3598593), wk = 0.0019120 k( 290) = ( 0.4499772 -0.5494768 0.3598593), wk = 0.0019120 k( 291) = ( 0.4437244 -0.5557372 0.3598593), wk = 0.0019120 k( 292) = ( 0.4374715 -0.5619977 0.3598593), wk = 0.0019120 k( 293) = ( 0.5637413 -0.4355745 0.0554569), wk = 0.0019120 k( 294) = ( 0.5611106 -0.4382084 0.0468045), wk = 0.0019120 k( 295) = ( 0.5584800 -0.4408422 0.0381521), wk = 0.0019120 k( 296) = ( 0.5558494 -0.4434760 0.0294996), wk = 0.0019120 k( 297) = ( 0.5532188 -0.4461098 0.0208472), wk = 0.0019120 k( 298) = ( 0.5505882 -0.4487436 0.0121948), wk = 0.0019120 k( 299) = ( 0.5479576 -0.4513774 0.0035424), wk = 0.0019120 k( 300) = ( 0.5453269 -0.4540112 -0.0051100), wk = 0.0019120 k( 301) = ( 0.5426963 -0.4566451 -0.0137625), wk = 0.0019120 k( 302) = ( 0.5400657 -0.4592789 -0.0224149), wk = 0.0019120 k( 303) = ( 0.5374351 -0.4619127 -0.0310673), wk = 0.0019120 k( 304) = ( 0.5348044 -0.4645465 -0.0397197), wk = 0.0019120 k( 305) = ( 0.5321738 -0.4671803 -0.0483722), wk = 0.0019120 k( 306) = ( 0.5295432 -0.4698141 -0.0570246), wk = 0.0019120 k( 307) = ( 0.5269126 -0.4724480 -0.0656770), wk = 0.0019120 k( 308) = ( 0.5242820 -0.4750818 -0.0743294), wk = 0.0019120 k( 309) = ( 0.5216513 -0.4777156 -0.0829818), wk = 0.0019120 k( 310) = ( 0.5190207 -0.4803494 -0.0916343), wk = 0.0019120 k( 311) = ( 0.5163901 -0.4829832 -0.1002867), wk = 0.0019120 k( 312) = ( 0.5137595 -0.4856170 -0.1089391), wk = 0.0019120 k( 313) = ( 0.5111289 -0.4882508 -0.1175915), wk = 0.0019120 k( 314) = ( 0.5084983 -0.4908847 -0.1262439), wk = 0.0019120 k( 315) = ( 0.5058676 -0.4935185 -0.1348964), wk = 0.0019120 k( 316) = ( 0.5032370 -0.4961523 -0.1435488), wk = 0.0019120 k( 317) = ( 0.5006064 -0.4987861 -0.1522012), wk = 0.0019120 k( 318) = ( 0.5006064 -0.4987861 -0.1522012), wk = 0.0019120 k( 319) = ( 0.5005685 -0.4988241 -0.1426886), wk = 0.0019120 k( 320) = ( 0.5005306 -0.4988620 -0.1331761), wk = 0.0019120 k( 321) = ( 0.5004927 -0.4989000 -0.1236635), wk = 0.0019120 k( 322) = ( 0.5004548 -0.4989379 -0.1141509), wk = 0.0019120 k( 323) = ( 0.5004169 -0.4989758 -0.1046383), wk = 0.0019120 k( 324) = ( 0.5003790 -0.4990138 -0.0951258), wk = 0.0019120 k( 325) = ( 0.5003411 -0.4990517 -0.0856132), wk = 0.0019120 k( 326) = ( 0.5003032 -0.4990897 -0.0761006), wk = 0.0019120 k( 327) = ( 0.5002653 -0.4991276 -0.0665880), wk = 0.0019120 k( 328) = ( 0.5002274 -0.4991656 -0.0570755), wk = 0.0019120 k( 329) = ( 0.5001895 -0.4992035 -0.0475629), wk = 0.0019120 k( 330) = ( 0.5001516 -0.4992415 -0.0380503), wk = 0.0019120 k( 331) = ( 0.5001137 -0.4992794 -0.0285377), wk = 0.0019120 k( 332) = ( 0.5000758 -0.4993173 -0.0190251), wk = 0.0019120 k( 333) = ( 0.5000379 -0.4993553 -0.0095126), wk = 0.0019120 k( 334) = ( 0.5000000 -0.4993932 0.0000000), wk = 0.0019120 k( 335) = ( 0.5000000 -0.4993932 0.0000000), wk = 0.0019120 k( 336) = ( 0.4932432 -0.4926447 -0.0000000), wk = 0.0019120 k( 337) = ( 0.4864865 -0.4858961 0.0000000), wk = 0.0019120 k( 338) = ( 0.4797297 -0.4791476 0.0000000), wk = 0.0019120 k( 339) = ( 0.4729730 -0.4723990 0.0000000), wk = 0.0019120 k( 340) = ( 0.4662162 -0.4656505 -0.0000000), wk = 0.0019120 k( 341) = ( 0.4594595 -0.4589019 -0.0000000), wk = 0.0019120 k( 342) = ( 0.4527027 -0.4521533 0.0000000), wk = 0.0019120 k( 343) = ( 0.4459459 -0.4454048 0.0000000), wk = 0.0019120 k( 344) = ( 0.4391892 -0.4386562 -0.0000000), wk = 0.0019120 k( 345) = ( 0.4324324 -0.4319077 0.0000000), wk = 0.0019120 k( 346) = ( 0.4256757 -0.4251591 0.0000000), wk = 0.0019120 k( 347) = ( 0.4189189 -0.4184106 -0.0000000), wk = 0.0019120 k( 348) = ( 0.4121622 -0.4116620 0.0000000), wk = 0.0019120 k( 349) = ( 0.4054054 -0.4049134 -0.0000000), wk = 0.0019120 k( 350) = ( 0.3986486 -0.3981649 0.0000000), wk = 0.0019120 k( 351) = ( 0.3918919 -0.3914163 0.0000000), wk = 0.0019120 k( 352) = ( 0.3851351 -0.3846678 0.0000000), wk = 0.0019120 k( 353) = ( 0.3783784 -0.3779192 0.0000000), wk = 0.0019120 k( 354) = ( 0.3716216 -0.3711707 -0.0000000), wk = 0.0019120 k( 355) = ( 0.3648649 -0.3644221 -0.0000000), wk = 0.0019120 k( 356) = ( 0.3581081 -0.3576735 -0.0000000), wk = 0.0019120 k( 357) = ( 0.3513514 -0.3509250 -0.0000000), wk = 0.0019120 k( 358) = ( 0.3445946 -0.3441764 0.0000000), wk = 0.0019120 k( 359) = ( 0.3378378 -0.3374279 -0.0000000), wk = 0.0019120 k( 360) = ( 0.3310811 -0.3306793 -0.0000000), wk = 0.0019120 k( 361) = ( 0.3243243 -0.3239307 0.0000000), wk = 0.0019120 k( 362) = ( 0.3175676 -0.3171822 -0.0000000), wk = 0.0019120 k( 363) = ( 0.3108108 -0.3104336 0.0000000), wk = 0.0019120 k( 364) = ( 0.3040541 -0.3036851 -0.0000000), wk = 0.0019120 k( 365) = ( 0.2972973 -0.2969365 0.0000000), wk = 0.0019120 k( 366) = ( 0.2905405 -0.2901880 0.0000000), wk = 0.0019120 k( 367) = ( 0.2837838 -0.2834394 -0.0000000), wk = 0.0019120 k( 368) = ( 0.2770270 -0.2766909 0.0000000), wk = 0.0019120 k( 369) = ( 0.2702703 -0.2699423 -0.0000000), wk = 0.0019120 k( 370) = ( 0.2635135 -0.2631937 0.0000000), wk = 0.0019120 k( 371) = ( 0.2567568 -0.2564452 -0.0000000), wk = 0.0019120 k( 372) = ( 0.2500000 -0.2496966 0.0000000), wk = 0.0019120 k( 373) = ( 0.2432432 -0.2429481 -0.0000000), wk = 0.0019120 k( 374) = ( 0.2364865 -0.2361995 -0.0000000), wk = 0.0019120 k( 375) = ( 0.2297297 -0.2294509 -0.0000000), wk = 0.0019120 k( 376) = ( 0.2229730 -0.2227024 -0.0000000), wk = 0.0019120 k( 377) = ( 0.2162162 -0.2159538 -0.0000000), wk = 0.0019120 k( 378) = ( 0.2094595 -0.2092053 -0.0000000), wk = 0.0019120 k( 379) = ( 0.2027027 -0.2024567 0.0000000), wk = 0.0019120 k( 380) = ( 0.1959460 -0.1957082 -0.0000000), wk = 0.0019120 k( 381) = ( 0.1891892 -0.1889596 0.0000000), wk = 0.0019120 k( 382) = ( 0.1824324 -0.1822110 -0.0000000), wk = 0.0019120 k( 383) = ( 0.1756757 -0.1754625 0.0000000), wk = 0.0019120 k( 384) = ( 0.1689189 -0.1687139 -0.0000000), wk = 0.0019120 k( 385) = ( 0.1621622 -0.1619654 0.0000000), wk = 0.0019120 k( 386) = ( 0.1554054 -0.1552168 -0.0000000), wk = 0.0019120 k( 387) = ( 0.1486486 -0.1484683 0.0000000), wk = 0.0019120 k( 388) = ( 0.1418919 -0.1417197 -0.0000000), wk = 0.0019120 k( 389) = ( 0.1351351 -0.1349712 0.0000000), wk = 0.0019120 k( 390) = ( 0.1283784 -0.1282226 -0.0000000), wk = 0.0019120 k( 391) = ( 0.1216216 -0.1214740 -0.0000000), wk = 0.0019120 k( 392) = ( 0.1148649 -0.1147255 0.0000000), wk = 0.0019120 k( 393) = ( 0.1081081 -0.1079769 -0.0000000), wk = 0.0019120 k( 394) = ( 0.1013514 -0.1012284 0.0000000), wk = 0.0019120 k( 395) = ( 0.0945946 -0.0944798 0.0000000), wk = 0.0019120 k( 396) = ( 0.0878378 -0.0877312 0.0000000), wk = 0.0019120 k( 397) = ( 0.0810811 -0.0809827 0.0000000), wk = 0.0019120 k( 398) = ( 0.0743243 -0.0742341 0.0000000), wk = 0.0019120 k( 399) = ( 0.0675676 -0.0674856 0.0000000), wk = 0.0019120 k( 400) = ( 0.0608108 -0.0607370 -0.0000000), wk = 0.0019120 k( 401) = ( 0.0540540 -0.0539885 -0.0000000), wk = 0.0019120 k( 402) = ( 0.0472973 -0.0472399 0.0000000), wk = 0.0019120 k( 403) = ( 0.0405405 -0.0404913 0.0000000), wk = 0.0019120 k( 404) = ( 0.0337838 -0.0337428 -0.0000000), wk = 0.0019120 k( 405) = ( 0.0270270 -0.0269942 0.0000000), wk = 0.0019120 k( 406) = ( 0.0202703 -0.0202457 0.0000000), wk = 0.0019120 k( 407) = ( 0.0135135 -0.0134971 -0.0000000), wk = 0.0019120 k( 408) = ( 0.0067568 -0.0067486 -0.0000000), wk = 0.0019120 k( 409) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 410) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 411) = ( 0.0090909 0.0000110 -0.0027673), wk = 0.0019120 k( 412) = ( 0.0181818 0.0000221 -0.0055346), wk = 0.0019120 k( 413) = ( 0.0272727 0.0000331 -0.0083019), wk = 0.0019120 k( 414) = ( 0.0363636 0.0000442 -0.0110692), wk = 0.0019120 k( 415) = ( 0.0454546 0.0000552 -0.0138365), wk = 0.0019120 k( 416) = ( 0.0545455 0.0000662 -0.0166038), wk = 0.0019120 k( 417) = ( 0.0636364 0.0000773 -0.0193711), wk = 0.0019120 k( 418) = ( 0.0727273 0.0000883 -0.0221384), wk = 0.0019120 k( 419) = ( 0.0818182 0.0000993 -0.0249057), wk = 0.0019120 k( 420) = ( 0.0909091 0.0001104 -0.0276729), wk = 0.0019120 k( 421) = ( 0.1000000 0.0001214 -0.0304402), wk = 0.0019120 k( 422) = ( 0.1090909 0.0001325 -0.0332075), wk = 0.0019120 k( 423) = ( 0.1181818 0.0001435 -0.0359748), wk = 0.0019120 k( 424) = ( 0.1272727 0.0001545 -0.0387421), wk = 0.0019120 k( 425) = ( 0.1363636 0.0001656 -0.0415094), wk = 0.0019120 k( 426) = ( 0.1454545 0.0001766 -0.0442767), wk = 0.0019120 k( 427) = ( 0.1545455 0.0001877 -0.0470440), wk = 0.0019120 k( 428) = ( 0.1636364 0.0001987 -0.0498113), wk = 0.0019120 k( 429) = ( 0.1727273 0.0002097 -0.0525786), wk = 0.0019120 k( 430) = ( 0.1818182 0.0002208 -0.0553459), wk = 0.0019120 k( 431) = ( 0.1909091 0.0002318 -0.0581132), wk = 0.0019120 k( 432) = ( 0.2000000 0.0002429 -0.0608805), wk = 0.0019120 k( 433) = ( 0.2090909 0.0002539 -0.0636478), wk = 0.0019120 k( 434) = ( 0.2181818 0.0002649 -0.0664151), wk = 0.0019120 k( 435) = ( 0.2272727 0.0002760 -0.0691824), wk = 0.0019120 k( 436) = ( 0.2363636 0.0002870 -0.0719497), wk = 0.0019120 k( 437) = ( 0.2454545 0.0002980 -0.0747170), wk = 0.0019120 k( 438) = ( 0.2545455 0.0003091 -0.0774842), wk = 0.0019120 k( 439) = ( 0.2636364 0.0003201 -0.0802515), wk = 0.0019120 k( 440) = ( 0.2727273 0.0003312 -0.0830188), wk = 0.0019120 k( 441) = ( 0.2818182 0.0003422 -0.0857861), wk = 0.0019120 k( 442) = ( 0.2909091 0.0003532 -0.0885534), wk = 0.0019120 k( 443) = ( 0.3000000 0.0003643 -0.0913207), wk = 0.0019120 k( 444) = ( 0.3090909 0.0003753 -0.0940880), wk = 0.0019120 k( 445) = ( 0.3181818 0.0003864 -0.0968553), wk = 0.0019120 k( 446) = ( 0.3272727 0.0003974 -0.0996226), wk = 0.0019120 k( 447) = ( 0.3363636 0.0004084 -0.1023899), wk = 0.0019120 k( 448) = ( 0.3454546 0.0004195 -0.1051572), wk = 0.0019120 k( 449) = ( 0.3545454 0.0004305 -0.1079245), wk = 0.0019120 k( 450) = ( 0.3636364 0.0004415 -0.1106918), wk = 0.0019120 k( 451) = ( 0.3727273 0.0004526 -0.1134591), wk = 0.0019120 k( 452) = ( 0.3818182 0.0004636 -0.1162264), wk = 0.0019120 k( 453) = ( 0.3909091 0.0004747 -0.1189937), wk = 0.0019120 k( 454) = ( 0.4000000 0.0004857 -0.1217610), wk = 0.0019120 k( 455) = ( 0.4090909 0.0004967 -0.1245283), wk = 0.0019120 k( 456) = ( 0.4181818 0.0005078 -0.1272956), wk = 0.0019120 k( 457) = ( 0.4272727 0.0005188 -0.1300628), wk = 0.0019120 k( 458) = ( 0.4363636 0.0005299 -0.1328301), wk = 0.0019120 k( 459) = ( 0.4454546 0.0005409 -0.1355974), wk = 0.0019120 k( 460) = ( 0.4545455 0.0005519 -0.1383647), wk = 0.0019120 k( 461) = ( 0.4636364 0.0005630 -0.1411320), wk = 0.0019120 k( 462) = ( 0.4727273 0.0005740 -0.1438993), wk = 0.0019120 k( 463) = ( 0.4818182 0.0005851 -0.1466666), wk = 0.0019120 k( 464) = ( 0.4909091 0.0005961 -0.1494339), wk = 0.0019120 k( 465) = ( 0.5000000 0.0006071 -0.1522012), wk = 0.0019120 k( 466) = ( 0.5000000 0.0006071 0.2076581), wk = 0.0019120 k( 467) = ( 0.4912281 0.0005965 0.2040150), wk = 0.0019120 k( 468) = ( 0.4824561 0.0005858 0.2003719), wk = 0.0019120 k( 469) = ( 0.4736842 0.0005752 0.1967287), wk = 0.0019120 k( 470) = ( 0.4649123 0.0005645 0.1930856), wk = 0.0019120 k( 471) = ( 0.4561404 0.0005539 0.1894425), wk = 0.0019120 k( 472) = ( 0.4473684 0.0005432 0.1857994), wk = 0.0019120 k( 473) = ( 0.4385965 0.0005326 0.1821562), wk = 0.0019120 k( 474) = ( 0.4298246 0.0005219 0.1785131), wk = 0.0019120 k( 475) = ( 0.4210526 0.0005113 0.1748700), wk = 0.0019120 k( 476) = ( 0.4122807 0.0005006 0.1712269), wk = 0.0019120 k( 477) = ( 0.4035088 0.0004900 0.1675837), wk = 0.0019120 k( 478) = ( 0.3947368 0.0004793 0.1639406), wk = 0.0019120 k( 479) = ( 0.3859649 0.0004687 0.1602975), wk = 0.0019120 k( 480) = ( 0.3771930 0.0004580 0.1566544), wk = 0.0019120 k( 481) = ( 0.3684211 0.0004474 0.1530112), wk = 0.0019120 k( 482) = ( 0.3596491 0.0004367 0.1493681), wk = 0.0019120 k( 483) = ( 0.3508772 0.0004261 0.1457250), wk = 0.0019120 k( 484) = ( 0.3421053 0.0004154 0.1420819), wk = 0.0019120 k( 485) = ( 0.3333333 0.0004048 0.1384387), wk = 0.0019120 k( 486) = ( 0.3245614 0.0003941 0.1347956), wk = 0.0019120 k( 487) = ( 0.3157895 0.0003834 0.1311525), wk = 0.0019120 k( 488) = ( 0.3070175 0.0003728 0.1275094), wk = 0.0019120 k( 489) = ( 0.2982456 0.0003621 0.1238662), wk = 0.0019120 k( 490) = ( 0.2894737 0.0003515 0.1202231), wk = 0.0019120 k( 491) = ( 0.2807018 0.0003408 0.1165800), wk = 0.0019120 k( 492) = ( 0.2719298 0.0003302 0.1129369), wk = 0.0019120 k( 493) = ( 0.2631579 0.0003195 0.1092937), wk = 0.0019120 k( 494) = ( 0.2543860 0.0003089 0.1056506), wk = 0.0019120 k( 495) = ( 0.2456140 0.0002982 0.1020075), wk = 0.0019120 k( 496) = ( 0.2368421 0.0002876 0.0983644), wk = 0.0019120 k( 497) = ( 0.2280702 0.0002769 0.0947212), wk = 0.0019120 k( 498) = ( 0.2192983 0.0002663 0.0910781), wk = 0.0019120 k( 499) = ( 0.2105263 0.0002556 0.0874350), wk = 0.0019120 k( 500) = ( 0.2017544 0.0002450 0.0837919), wk = 0.0019120 k( 501) = ( 0.1929825 0.0002343 0.0801487), wk = 0.0019120 k( 502) = ( 0.1842105 0.0002237 0.0765056), wk = 0.0019120 k( 503) = ( 0.1754386 0.0002130 0.0728625), wk = 0.0019120 k( 504) = ( 0.1666667 0.0002024 0.0692194), wk = 0.0019120 k( 505) = ( 0.1578947 0.0001917 0.0655762), wk = 0.0019120 k( 506) = ( 0.1491228 0.0001811 0.0619331), wk = 0.0019120 k( 507) = ( 0.1403509 0.0001704 0.0582900), wk = 0.0019120 k( 508) = ( 0.1315790 0.0001598 0.0546469), wk = 0.0019120 k( 509) = ( 0.1228070 0.0001491 0.0510037), wk = 0.0019120 k( 510) = ( 0.1140351 0.0001385 0.0473606), wk = 0.0019120 k( 511) = ( 0.1052632 0.0001278 0.0437175), wk = 0.0019120 k( 512) = ( 0.0964912 0.0001172 0.0400744), wk = 0.0019120 k( 513) = ( 0.0877193 0.0001065 0.0364312), wk = 0.0019120 k( 514) = ( 0.0789474 0.0000959 0.0327881), wk = 0.0019120 k( 515) = ( 0.0701754 0.0000852 0.0291450), wk = 0.0019120 k( 516) = ( 0.0614035 0.0000746 0.0255019), wk = 0.0019120 k( 517) = ( 0.0526316 0.0000639 0.0218587), wk = 0.0019120 k( 518) = ( 0.0438597 0.0000533 0.0182156), wk = 0.0019120 k( 519) = ( 0.0350877 0.0000426 0.0145725), wk = 0.0019120 k( 520) = ( 0.0263158 0.0000320 0.0109294), wk = 0.0019120 k( 521) = ( 0.0175439 0.0000213 0.0072862), wk = 0.0019120 k( 522) = ( 0.0087719 0.0000107 0.0036431), wk = 0.0019120 k( 523) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 2) = ( 0.0065710 0.0065710 0.0027758), wk = 0.0019120 k( 3) = ( 0.0131419 0.0131419 0.0055516), wk = 0.0019120 k( 4) = ( 0.0197129 0.0197129 0.0083274), wk = 0.0019120 k( 5) = ( 0.0262839 0.0262839 0.0111032), wk = 0.0019120 k( 6) = ( 0.0328548 0.0328548 0.0138790), wk = 0.0019120 k( 7) = ( 0.0394258 0.0394258 0.0166548), wk = 0.0019120 k( 8) = ( 0.0459968 0.0459968 0.0194306), wk = 0.0019120 k( 9) = ( 0.0525678 0.0525678 0.0222063), wk = 0.0019120 k( 10) = ( 0.0591387 0.0591387 0.0249821), wk = 0.0019120 k( 11) = ( 0.0657097 0.0657097 0.0277579), wk = 0.0019120 k( 12) = ( 0.0722807 0.0722807 0.0305337), wk = 0.0019120 k( 13) = ( 0.0788516 0.0788516 0.0333095), wk = 0.0019120 k( 14) = ( 0.0854226 0.0854226 0.0360853), wk = 0.0019120 k( 15) = ( 0.0919936 0.0919936 0.0388611), wk = 0.0019120 k( 16) = ( 0.0985645 0.0985645 0.0416369), wk = 0.0019120 k( 17) = ( 0.1051355 0.1051355 0.0444127), wk = 0.0019120 k( 18) = ( 0.1117065 0.1117065 0.0471885), wk = 0.0019120 k( 19) = ( 0.1182774 0.1182774 0.0499643), wk = 0.0019120 k( 20) = ( 0.1248484 0.1248484 0.0527401), wk = 0.0019120 k( 21) = ( 0.1314194 0.1314194 0.0555159), wk = 0.0019120 k( 22) = ( 0.1379903 0.1379903 0.0582916), wk = 0.0019120 k( 23) = ( 0.1445613 0.1445613 0.0610674), wk = 0.0019120 k( 24) = ( 0.1511323 0.1511323 0.0638432), wk = 0.0019120 k( 25) = ( 0.1577032 0.1577032 0.0666190), wk = 0.0019120 k( 26) = ( 0.1642742 0.1642742 0.0693948), wk = 0.0019120 k( 27) = ( 0.1708452 0.1708452 0.0721706), wk = 0.0019120 k( 28) = ( 0.1774161 0.1774161 0.0749464), wk = 0.0019120 k( 29) = ( 0.1839871 0.1839871 0.0777222), wk = 0.0019120 k( 30) = ( 0.1905581 0.1905581 0.0804980), wk = 0.0019120 k( 31) = ( 0.1971291 0.1971291 0.0832738), wk = 0.0019120 k( 32) = ( 0.2037000 0.2037000 0.0860496), wk = 0.0019120 k( 33) = ( 0.2102710 0.2102710 0.0888254), wk = 0.0019120 k( 34) = ( 0.2168420 0.2168420 0.0916012), wk = 0.0019120 k( 35) = ( 0.2234129 0.2234129 0.0943770), wk = 0.0019120 k( 36) = ( 0.2299839 0.2299839 0.0971527), wk = 0.0019120 k( 37) = ( 0.2365549 0.2365549 0.0999285), wk = 0.0019120 k( 38) = ( 0.2431258 0.2431258 0.1027043), wk = 0.0019120 k( 39) = ( 0.2496968 0.2496968 0.1054801), wk = 0.0019120 k( 40) = ( 0.2562678 0.2562678 0.1082559), wk = 0.0019120 k( 41) = ( 0.2628387 0.2628387 0.1110317), wk = 0.0019120 k( 42) = ( 0.2694097 0.2694097 0.1138075), wk = 0.0019120 k( 43) = ( 0.2759807 0.2759807 0.1165833), wk = 0.0019120 k( 44) = ( 0.2825516 0.2825516 0.1193591), wk = 0.0019120 k( 45) = ( 0.2891226 0.2891226 0.1221349), wk = 0.0019120 k( 46) = ( 0.2956936 0.2956936 0.1249107), wk = 0.0019120 k( 47) = ( 0.3022646 0.3022645 0.1276865), wk = 0.0019120 k( 48) = ( 0.3088355 0.3088355 0.1304623), wk = 0.0019120 k( 49) = ( 0.3154065 0.3154065 0.1332381), wk = 0.0019120 k( 50) = ( 0.3219775 0.3219775 0.1360139), wk = 0.0019120 k( 51) = ( 0.3285484 0.3285484 0.1387896), wk = 0.0019120 k( 52) = ( 0.3351194 0.3351194 0.1415654), wk = 0.0019120 k( 53) = ( 0.3416904 0.3416904 0.1443412), wk = 0.0019120 k( 54) = ( 0.3482613 0.3482613 0.1471170), wk = 0.0019120 k( 55) = ( 0.3548323 0.3548323 0.1498928), wk = 0.0019120 k( 56) = ( 0.3614033 0.3614033 0.1526686), wk = 0.0019120 k( 57) = ( 0.3679742 0.3679742 0.1554444), wk = 0.0019120 k( 58) = ( 0.3745452 0.3745452 0.1582202), wk = 0.0019120 k( 59) = ( 0.3811162 0.3811162 0.1609960), wk = 0.0019120 k( 60) = ( 0.3876871 0.3876871 0.1637718), wk = 0.0019120 k( 61) = ( 0.3942581 0.3942581 0.1665476), wk = 0.0019120 k( 62) = ( 0.4008291 0.4008291 0.1693234), wk = 0.0019120 k( 63) = ( 0.4074001 0.4074000 0.1720992), wk = 0.0019120 k( 64) = ( 0.4139710 0.4139710 0.1748750), wk = 0.0019120 k( 65) = ( 0.4205420 0.4205420 0.1776507), wk = 0.0019120 k( 66) = ( 0.4271130 0.4271130 0.1804265), wk = 0.0019120 k( 67) = ( 0.4336839 0.4336839 0.1832023), wk = 0.0019120 k( 68) = ( 0.4402549 0.4402549 0.1859781), wk = 0.0019120 k( 69) = ( 0.4468259 0.4468259 0.1887539), wk = 0.0019120 k( 70) = ( 0.4533968 0.4533968 0.1915297), wk = 0.0019120 k( 71) = ( 0.4599678 0.4599678 0.1943055), wk = 0.0019120 k( 72) = ( 0.4665388 0.4665388 0.1970813), wk = 0.0019120 k( 73) = ( 0.4731097 0.4731097 0.1998571), wk = 0.0019120 k( 74) = ( 0.4796807 0.4796807 0.2026329), wk = 0.0019120 k( 75) = ( 0.4862517 0.4862517 0.2054087), wk = 0.0019120 k( 76) = ( 0.4928226 0.4928226 0.2081845), wk = 0.0019120 k( 77) = ( 0.4993936 0.4993936 0.2109603), wk = 0.0019120 k( 78) = ( 0.4993936 0.4993936 0.2109603), wk = 0.0019120 k( 79) = ( 0.5020242 0.5020242 0.2252074), wk = 0.0019120 k( 80) = ( 0.5046548 0.5046548 0.2394546), wk = 0.0019120 k( 81) = ( 0.5072855 0.5072855 0.2537018), wk = 0.0019120 k( 82) = ( 0.5099161 0.5099161 0.2679489), wk = 0.0019120 k( 83) = ( 0.5125467 0.5125467 0.2821961), wk = 0.0019120 k( 84) = ( 0.5151773 0.5151773 0.2964433), wk = 0.0019120 k( 85) = ( 0.5178080 0.5178079 0.3106905), wk = 0.0019120 k( 86) = ( 0.5204386 0.5204386 0.3249376), wk = 0.0019120 k( 87) = ( 0.5230692 0.5230692 0.3391848), wk = 0.0019120 k( 88) = ( 0.5256998 0.5256998 0.3534320), wk = 0.0019120 k( 89) = ( 0.5283304 0.5283304 0.3676792), wk = 0.0019120 k( 90) = ( 0.5309610 0.5309610 0.3819263), wk = 0.0019120 k( 91) = ( 0.5335917 0.5335917 0.3961735), wk = 0.0019120 k( 92) = ( 0.5362223 0.5362223 0.4104207), wk = 0.0019120 k( 93) = ( 0.5388529 0.5388529 0.4246678), wk = 0.0019120 k( 94) = ( 0.5414835 0.5414835 0.4389150), wk = 0.0019120 k( 95) = ( 0.5441141 0.5441141 0.4531622), wk = 0.0019120 k( 96) = ( 0.5467448 0.5467448 0.4674094), wk = 0.0019120 k( 97) = ( 0.5493754 0.5493754 0.4816565), wk = 0.0019120 k( 98) = ( 0.5520060 0.5520060 0.4959037), wk = 0.0019120 k( 99) = ( 0.5546366 0.5546366 0.5101509), wk = 0.0019120 k( 100) = ( 0.5572672 0.5572672 0.5243980), wk = 0.0019120 k( 101) = ( 0.5598979 0.5598979 0.5386452), wk = 0.0019120 k( 102) = ( 0.5625285 0.5625285 0.5528924), wk = 0.0019120 k( 103) = ( 0.5625285 0.5625285 0.5528924), wk = 0.0019120 k( 104) = ( 0.5591158 0.5591158 0.5614366), wk = 0.0019120 k( 105) = ( 0.5557031 0.5557031 0.5699808), wk = 0.0019120 k( 106) = ( 0.5522904 0.5522904 0.5785250), wk = 0.0019120 k( 107) = ( 0.5488777 0.5488777 0.5870692), wk = 0.0019120 k( 108) = ( 0.5454650 0.5454650 0.5956134), wk = 0.0019120 k( 109) = ( 0.5420523 0.5420523 0.6041576), wk = 0.0019120 k( 110) = ( 0.5386396 0.5386396 0.6127019), wk = 0.0019120 k( 111) = ( 0.5352269 0.5352269 0.6212461), wk = 0.0019120 k( 112) = ( 0.5318142 0.5318142 0.6297903), wk = 0.0019120 k( 113) = ( 0.5284015 0.5284015 0.6383345), wk = 0.0019120 k( 114) = ( 0.5249888 0.5249888 0.6468787), wk = 0.0019120 k( 115) = ( 0.5215761 0.5215761 0.6554229), wk = 0.0019120 k( 116) = ( 0.5181634 0.5181634 0.6639671), wk = 0.0019120 k( 117) = ( 0.5147507 0.5147507 0.6725113), wk = 0.0019120 k( 118) = ( 0.5113380 0.5113380 0.6810555), wk = 0.0019120 k( 119) = ( 0.5079254 0.5079253 0.6895997), wk = 0.0019120 k( 120) = ( 0.5045127 0.5045126 0.6981439), wk = 0.0019120 k( 121) = ( 0.5011000 0.5011000 0.7066882), wk = 0.0019120 k( 122) = ( 0.4976873 0.4976873 0.7152324), wk = 0.0019120 k( 123) = ( 0.4942746 0.4942746 0.7237766), wk = 0.0019120 k( 124) = ( 0.4908619 0.4908619 0.7323208), wk = 0.0019120 k( 125) = ( 0.4874492 0.4874492 0.7408650), wk = 0.0019120 k( 126) = ( 0.4840365 0.4840365 0.7494092), wk = 0.0019120 k( 127) = ( 0.4806238 0.4806238 0.7579534), wk = 0.0019120 k( 128) = ( 0.4772111 0.4772111 0.7664976), wk = 0.0019120 k( 129) = ( 0.4737984 0.4737984 0.7750418), wk = 0.0019120 k( 130) = ( 0.4703857 0.4703857 0.7835860), wk = 0.0019120 k( 131) = ( 0.4669730 0.4669730 0.7921302), wk = 0.0019120 k( 132) = ( 0.4635603 0.4635603 0.8006745), wk = 0.0019120 k( 133) = ( 0.4601476 0.4601476 0.8092187), wk = 0.0019120 k( 134) = ( 0.4567349 0.4567349 0.8177629), wk = 0.0019120 k( 135) = ( 0.4533222 0.4533222 0.8263071), wk = 0.0019120 k( 136) = ( 0.4499095 0.4499095 0.8348513), wk = 0.0019120 k( 137) = ( 0.4464968 0.4464968 0.8433955), wk = 0.0019120 k( 138) = ( 0.4430841 0.4430841 0.8519397), wk = 0.0019120 k( 139) = ( 0.4396714 0.4396714 0.8604839), wk = 0.0019120 k( 140) = ( 0.4362587 0.4362587 0.8690281), wk = 0.0019120 k( 141) = ( 0.4362587 0.4362587 0.8690281), wk = 0.0019120 k( 142) = ( 0.4295471 0.4295471 0.8633508), wk = 0.0019120 k( 143) = ( 0.4228354 0.4228354 0.8576734), wk = 0.0019120 k( 144) = ( 0.4161237 0.4161237 0.8519961), wk = 0.0019120 k( 145) = ( 0.4094121 0.4094120 0.8463187), wk = 0.0019120 k( 146) = ( 0.4027004 0.4027004 0.8406414), wk = 0.0019120 k( 147) = ( 0.3959887 0.3959887 0.8349640), wk = 0.0019120 k( 148) = ( 0.3892770 0.3892770 0.8292866), wk = 0.0019120 k( 149) = ( 0.3825654 0.3825653 0.8236093), wk = 0.0019120 k( 150) = ( 0.3758537 0.3758537 0.8179319), wk = 0.0019120 k( 151) = ( 0.3691420 0.3691420 0.8122546), wk = 0.0019120 k( 152) = ( 0.3624303 0.3624303 0.8065772), wk = 0.0019120 k( 153) = ( 0.3557187 0.3557187 0.8008999), wk = 0.0019120 k( 154) = ( 0.3490070 0.3490070 0.7952225), wk = 0.0019120 k( 155) = ( 0.3422953 0.3422953 0.7895451), wk = 0.0019120 k( 156) = ( 0.3355836 0.3355836 0.7838678), wk = 0.0019120 k( 157) = ( 0.3288720 0.3288720 0.7781904), wk = 0.0019120 k( 158) = ( 0.3221603 0.3221603 0.7725131), wk = 0.0019120 k( 159) = ( 0.3154486 0.3154486 0.7668357), wk = 0.0019120 k( 160) = ( 0.3087370 0.3087369 0.7611584), wk = 0.0019120 k( 161) = ( 0.3020253 0.3020253 0.7554810), wk = 0.0019120 k( 162) = ( 0.2953136 0.2953136 0.7498037), wk = 0.0019120 k( 163) = ( 0.2886019 0.2886019 0.7441263), wk = 0.0019120 k( 164) = ( 0.2818903 0.2818903 0.7384489), wk = 0.0019120 k( 165) = ( 0.2751786 0.2751786 0.7327716), wk = 0.0019120 k( 166) = ( 0.2684669 0.2684669 0.7270942), wk = 0.0019120 k( 167) = ( 0.2617552 0.2617552 0.7214169), wk = 0.0019120 k( 168) = ( 0.2550436 0.2550436 0.7157395), wk = 0.0019120 k( 169) = ( 0.2483319 0.2483319 0.7100622), wk = 0.0019120 k( 170) = ( 0.2416202 0.2416202 0.7043848), wk = 0.0019120 k( 171) = ( 0.2349085 0.2349085 0.6987075), wk = 0.0019120 k( 172) = ( 0.2281969 0.2281969 0.6930301), wk = 0.0019120 k( 173) = ( 0.2214852 0.2214852 0.6873527), wk = 0.0019120 k( 174) = ( 0.2147735 0.2147735 0.6816754), wk = 0.0019120 k( 175) = ( 0.2080619 0.2080619 0.6759980), wk = 0.0019120 k( 176) = ( 0.2013502 0.2013502 0.6703207), wk = 0.0019120 k( 177) = ( 0.1946385 0.1946385 0.6646433), wk = 0.0019120 k( 178) = ( 0.1879268 0.1879268 0.6589660), wk = 0.0019120 k( 179) = ( 0.1812152 0.1812152 0.6532886), wk = 0.0019120 k( 180) = ( 0.1745035 0.1745035 0.6476113), wk = 0.0019120 k( 181) = ( 0.1677918 0.1677918 0.6419339), wk = 0.0019120 k( 182) = ( 0.1610802 0.1610802 0.6362565), wk = 0.0019120 k( 183) = ( 0.1543685 0.1543685 0.6305792), wk = 0.0019120 k( 184) = ( 0.1476568 0.1476568 0.6249018), wk = 0.0019120 k( 185) = ( 0.1409451 0.1409451 0.6192245), wk = 0.0019120 k( 186) = ( 0.1342335 0.1342335 0.6135471), wk = 0.0019120 k( 187) = ( 0.1275218 0.1275218 0.6078698), wk = 0.0019120 k( 188) = ( 0.1208101 0.1208101 0.6021924), wk = 0.0019120 k( 189) = ( 0.1140984 0.1140984 0.5965151), wk = 0.0019120 k( 190) = ( 0.1073868 0.1073868 0.5908377), wk = 0.0019120 k( 191) = ( 0.1006751 0.1006751 0.5851603), wk = 0.0019120 k( 192) = ( 0.0939634 0.0939634 0.5794830), wk = 0.0019120 k( 193) = ( 0.0872518 0.0872518 0.5738056), wk = 0.0019120 k( 194) = ( 0.0805401 0.0805401 0.5681283), wk = 0.0019120 k( 195) = ( 0.0738284 0.0738284 0.5624509), wk = 0.0019120 k( 196) = ( 0.0671167 0.0671167 0.5567736), wk = 0.0019120 k( 197) = ( 0.0604051 0.0604051 0.5510962), wk = 0.0019120 k( 198) = ( 0.0536934 0.0536934 0.5454189), wk = 0.0019120 k( 199) = ( 0.0469817 0.0469817 0.5397415), wk = 0.0019120 k( 200) = ( 0.0402700 0.0402700 0.5340641), wk = 0.0019120 k( 201) = ( 0.0335584 0.0335584 0.5283868), wk = 0.0019120 k( 202) = ( 0.0268467 0.0268467 0.5227094), wk = 0.0019120 k( 203) = ( 0.0201350 0.0201350 0.5170321), wk = 0.0019120 k( 204) = ( 0.0134234 0.0134233 0.5113547), wk = 0.0019120 k( 205) = ( 0.0067117 0.0067117 0.5056774), wk = 0.0019120 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 208) = ( 0.0067568 -0.0067568 0.5000000), wk = 0.0019120 k( 209) = ( 0.0135135 -0.0135135 0.5000000), wk = 0.0019120 k( 210) = ( 0.0202703 -0.0202703 0.5000000), wk = 0.0019120 k( 211) = ( 0.0270270 -0.0270270 0.5000000), wk = 0.0019120 k( 212) = ( 0.0337838 -0.0337838 0.5000000), wk = 0.0019120 k( 213) = ( 0.0405405 -0.0405405 0.5000000), wk = 0.0019120 k( 214) = ( 0.0472973 -0.0472973 0.5000000), wk = 0.0019120 k( 215) = ( 0.0540540 -0.0540540 0.5000000), wk = 0.0019120 k( 216) = ( 0.0608108 -0.0608108 0.5000000), wk = 0.0019120 k( 217) = ( 0.0675676 -0.0675676 0.5000000), wk = 0.0019120 k( 218) = ( 0.0743243 -0.0743243 0.5000000), wk = 0.0019120 k( 219) = ( 0.0810811 -0.0810811 0.5000000), wk = 0.0019120 k( 220) = ( 0.0878378 -0.0878378 0.5000000), wk = 0.0019120 k( 221) = ( 0.0945946 -0.0945946 0.5000000), wk = 0.0019120 k( 222) = ( 0.1013514 -0.1013513 0.5000000), wk = 0.0019120 k( 223) = ( 0.1081081 -0.1081081 0.5000000), wk = 0.0019120 k( 224) = ( 0.1148649 -0.1148649 0.5000000), wk = 0.0019120 k( 225) = ( 0.1216216 -0.1216216 0.5000000), wk = 0.0019120 k( 226) = ( 0.1283784 -0.1283784 0.5000000), wk = 0.0019120 k( 227) = ( 0.1351351 -0.1351351 0.5000000), wk = 0.0019120 k( 228) = ( 0.1418919 -0.1418919 0.5000000), wk = 0.0019120 k( 229) = ( 0.1486486 -0.1486486 0.5000000), wk = 0.0019120 k( 230) = ( 0.1554054 -0.1554054 0.5000000), wk = 0.0019120 k( 231) = ( 0.1621622 -0.1621622 0.5000000), wk = 0.0019120 k( 232) = ( 0.1689189 -0.1689189 0.5000000), wk = 0.0019120 k( 233) = ( 0.1756757 -0.1756757 0.5000000), wk = 0.0019120 k( 234) = ( 0.1824324 -0.1824324 0.5000000), wk = 0.0019120 k( 235) = ( 0.1891892 -0.1891892 0.5000000), wk = 0.0019120 k( 236) = ( 0.1959460 -0.1959459 0.5000000), wk = 0.0019120 k( 237) = ( 0.2027027 -0.2027027 0.5000000), wk = 0.0019120 k( 238) = ( 0.2094595 -0.2094595 0.5000000), wk = 0.0019120 k( 239) = ( 0.2162162 -0.2162162 0.5000000), wk = 0.0019120 k( 240) = ( 0.2229730 -0.2229730 0.5000000), wk = 0.0019120 k( 241) = ( 0.2297297 -0.2297297 0.5000000), wk = 0.0019120 k( 242) = ( 0.2364865 -0.2364865 0.5000000), wk = 0.0019120 k( 243) = ( 0.2432432 -0.2432432 0.5000000), wk = 0.0019120 k( 244) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0019120 k( 245) = ( 0.2567568 -0.2567568 0.5000000), wk = 0.0019120 k( 246) = ( 0.2635135 -0.2635135 0.5000000), wk = 0.0019120 k( 247) = ( 0.2702703 -0.2702703 0.5000000), wk = 0.0019120 k( 248) = ( 0.2770270 -0.2770270 0.5000000), wk = 0.0019120 k( 249) = ( 0.2837838 -0.2837838 0.5000000), wk = 0.0019120 k( 250) = ( 0.2905405 -0.2905405 0.5000000), wk = 0.0019120 k( 251) = ( 0.2972973 -0.2972973 0.5000000), wk = 0.0019120 k( 252) = ( 0.3040541 -0.3040541 0.5000000), wk = 0.0019120 k( 253) = ( 0.3108108 -0.3108108 0.5000000), wk = 0.0019120 k( 254) = ( 0.3175676 -0.3175676 0.5000000), wk = 0.0019120 k( 255) = ( 0.3243243 -0.3243243 0.5000000), wk = 0.0019120 k( 256) = ( 0.3310811 -0.3310811 0.5000000), wk = 0.0019120 k( 257) = ( 0.3378378 -0.3378378 0.5000000), wk = 0.0019120 k( 258) = ( 0.3445946 -0.3445946 0.5000000), wk = 0.0019120 k( 259) = ( 0.3513514 -0.3513513 0.5000000), wk = 0.0019120 k( 260) = ( 0.3581081 -0.3581081 0.5000000), wk = 0.0019120 k( 261) = ( 0.3648649 -0.3648649 0.5000000), wk = 0.0019120 k( 262) = ( 0.3716216 -0.3716216 0.5000000), wk = 0.0019120 k( 263) = ( 0.3783784 -0.3783784 0.5000000), wk = 0.0019120 k( 264) = ( 0.3851351 -0.3851351 0.5000000), wk = 0.0019120 k( 265) = ( 0.3918919 -0.3918919 0.5000000), wk = 0.0019120 k( 266) = ( 0.3986486 -0.3986486 0.5000000), wk = 0.0019120 k( 267) = ( 0.4054054 -0.4054054 0.5000000), wk = 0.0019120 k( 268) = ( 0.4121622 -0.4121622 0.5000000), wk = 0.0019120 k( 269) = ( 0.4189189 -0.4189189 0.5000000), wk = 0.0019120 k( 270) = ( 0.4256757 -0.4256757 0.5000000), wk = 0.0019120 k( 271) = ( 0.4324324 -0.4324324 0.5000000), wk = 0.0019120 k( 272) = ( 0.4391892 -0.4391892 0.5000000), wk = 0.0019120 k( 273) = ( 0.4459459 -0.4459459 0.5000000), wk = 0.0019120 k( 274) = ( 0.4527027 -0.4527027 0.5000000), wk = 0.0019120 k( 275) = ( 0.4594595 -0.4594595 0.5000000), wk = 0.0019120 k( 276) = ( 0.4662162 -0.4662162 0.5000000), wk = 0.0019120 k( 277) = ( 0.4729730 -0.4729730 0.5000000), wk = 0.0019120 k( 278) = ( 0.4797297 -0.4797297 0.5000000), wk = 0.0019120 k( 279) = ( 0.4864865 -0.4864865 0.5000000), wk = 0.0019120 k( 280) = ( 0.4932432 -0.4932432 0.5000000), wk = 0.0019120 k( 281) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019120 k( 282) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019120 k( 283) = ( 0.4937472 -0.5062528 0.4947108), wk = 0.0019120 k( 284) = ( 0.4874943 -0.5125057 0.4894215), wk = 0.0019120 k( 285) = ( 0.4812415 -0.5187585 0.4841323), wk = 0.0019120 k( 286) = ( 0.4749886 -0.5250114 0.4788430), wk = 0.0019120 k( 287) = ( 0.4687358 -0.5312642 0.4735538), wk = 0.0019120 k( 288) = ( 0.4624829 -0.5375171 0.4682646), wk = 0.0019120 k( 289) = ( 0.4562301 -0.5437699 0.4629753), wk = 0.0019120 k( 290) = ( 0.4499772 -0.5500228 0.4576861), wk = 0.0019120 k( 291) = ( 0.4437244 -0.5562756 0.4523969), wk = 0.0019120 k( 292) = ( 0.4374715 -0.5625285 0.4471076), wk = 0.0019120 k( 293) = ( 0.5637413 -0.4362587 0.1309719), wk = 0.0019120 k( 294) = ( 0.5611106 -0.4388894 0.1167247), wk = 0.0019120 k( 295) = ( 0.5584800 -0.4415200 0.1024775), wk = 0.0019120 k( 296) = ( 0.5558494 -0.4441506 0.0882304), wk = 0.0019120 k( 297) = ( 0.5532188 -0.4467812 0.0739832), wk = 0.0019120 k( 298) = ( 0.5505882 -0.4494118 0.0597360), wk = 0.0019120 k( 299) = ( 0.5479576 -0.4520424 0.0454888), wk = 0.0019120 k( 300) = ( 0.5453269 -0.4546731 0.0312417), wk = 0.0019120 k( 301) = ( 0.5426963 -0.4573037 0.0169945), wk = 0.0019120 k( 302) = ( 0.5400657 -0.4599343 0.0027473), wk = 0.0019120 k( 303) = ( 0.5374351 -0.4625649 -0.0114999), wk = 0.0019120 k( 304) = ( 0.5348044 -0.4651955 -0.0257470), wk = 0.0019120 k( 305) = ( 0.5321738 -0.4678262 -0.0399942), wk = 0.0019120 k( 306) = ( 0.5295432 -0.4704568 -0.0542414), wk = 0.0019120 k( 307) = ( 0.5269126 -0.4730874 -0.0684885), wk = 0.0019120 k( 308) = ( 0.5242820 -0.4757180 -0.0827357), wk = 0.0019120 k( 309) = ( 0.5216513 -0.4783486 -0.0969829), wk = 0.0019120 k( 310) = ( 0.5190207 -0.4809793 -0.1112301), wk = 0.0019120 k( 311) = ( 0.5163901 -0.4836099 -0.1254772), wk = 0.0019120 k( 312) = ( 0.5137595 -0.4862405 -0.1397244), wk = 0.0019120 k( 313) = ( 0.5111289 -0.4888711 -0.1539716), wk = 0.0019120 k( 314) = ( 0.5084983 -0.4915018 -0.1682188), wk = 0.0019120 k( 315) = ( 0.5058676 -0.4941324 -0.1824659), wk = 0.0019120 k( 316) = ( 0.5032370 -0.4967630 -0.1967131), wk = 0.0019120 k( 317) = ( 0.5006064 -0.4993936 -0.2109603), wk = 0.0019120 k( 318) = ( 0.5006064 -0.4993936 -0.2109603), wk = 0.0019120 k( 319) = ( 0.5005685 -0.4994315 -0.1977752), wk = 0.0019120 k( 320) = ( 0.5005306 -0.4994694 -0.1845902), wk = 0.0019120 k( 321) = ( 0.5004927 -0.4995073 -0.1714052), wk = 0.0019120 k( 322) = ( 0.5004548 -0.4995452 -0.1582202), wk = 0.0019120 k( 323) = ( 0.5004169 -0.4995831 -0.1450352), wk = 0.0019120 k( 324) = ( 0.5003790 -0.4996210 -0.1318502), wk = 0.0019120 k( 325) = ( 0.5003411 -0.4996589 -0.1186651), wk = 0.0019120 k( 326) = ( 0.5003032 -0.4996968 -0.1054801), wk = 0.0019120 k( 327) = ( 0.5002653 -0.4997347 -0.0922951), wk = 0.0019120 k( 328) = ( 0.5002274 -0.4997726 -0.0791101), wk = 0.0019120 k( 329) = ( 0.5001895 -0.4998105 -0.0659251), wk = 0.0019120 k( 330) = ( 0.5001516 -0.4998484 -0.0527401), wk = 0.0019120 k( 331) = ( 0.5001137 -0.4998863 -0.0395550), wk = 0.0019120 k( 332) = ( 0.5000758 -0.4999242 -0.0263700), wk = 0.0019120 k( 333) = ( 0.5000379 -0.4999621 -0.0131850), wk = 0.0019120 k( 334) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0019120 k( 335) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0019120 k( 336) = ( 0.4932432 -0.4932432 -0.0000000), wk = 0.0019120 k( 337) = ( 0.4864865 -0.4864865 0.0000000), wk = 0.0019120 k( 338) = ( 0.4797297 -0.4797297 0.0000000), wk = 0.0019120 k( 339) = ( 0.4729730 -0.4729730 0.0000000), wk = 0.0019120 k( 340) = ( 0.4662162 -0.4662162 0.0000000), wk = 0.0019120 k( 341) = ( 0.4594595 -0.4594595 0.0000000), wk = 0.0019120 k( 342) = ( 0.4527027 -0.4527027 0.0000000), wk = 0.0019120 k( 343) = ( 0.4459459 -0.4459459 0.0000000), wk = 0.0019120 k( 344) = ( 0.4391892 -0.4391892 0.0000000), wk = 0.0019120 k( 345) = ( 0.4324324 -0.4324324 0.0000000), wk = 0.0019120 k( 346) = ( 0.4256757 -0.4256757 0.0000000), wk = 0.0019120 k( 347) = ( 0.4189189 -0.4189189 0.0000000), wk = 0.0019120 k( 348) = ( 0.4121622 -0.4121622 0.0000000), wk = 0.0019120 k( 349) = ( 0.4054054 -0.4054054 0.0000000), wk = 0.0019120 k( 350) = ( 0.3986486 -0.3986486 0.0000000), wk = 0.0019120 k( 351) = ( 0.3918919 -0.3918919 0.0000000), wk = 0.0019120 k( 352) = ( 0.3851351 -0.3851351 0.0000000), wk = 0.0019120 k( 353) = ( 0.3783784 -0.3783784 0.0000000), wk = 0.0019120 k( 354) = ( 0.3716216 -0.3716216 0.0000000), wk = 0.0019120 k( 355) = ( 0.3648649 -0.3648649 0.0000000), wk = 0.0019120 k( 356) = ( 0.3581081 -0.3581081 0.0000000), wk = 0.0019120 k( 357) = ( 0.3513514 -0.3513513 0.0000000), wk = 0.0019120 k( 358) = ( 0.3445946 -0.3445946 0.0000000), wk = 0.0019120 k( 359) = ( 0.3378378 -0.3378378 0.0000000), wk = 0.0019120 k( 360) = ( 0.3310811 -0.3310811 0.0000000), wk = 0.0019120 k( 361) = ( 0.3243243 -0.3243243 0.0000000), wk = 0.0019120 k( 362) = ( 0.3175676 -0.3175676 0.0000000), wk = 0.0019120 k( 363) = ( 0.3108108 -0.3108108 0.0000000), wk = 0.0019120 k( 364) = ( 0.3040541 -0.3040541 0.0000000), wk = 0.0019120 k( 365) = ( 0.2972973 -0.2972973 0.0000000), wk = 0.0019120 k( 366) = ( 0.2905405 -0.2905405 0.0000000), wk = 0.0019120 k( 367) = ( 0.2837838 -0.2837838 0.0000000), wk = 0.0019120 k( 368) = ( 0.2770270 -0.2770270 0.0000000), wk = 0.0019120 k( 369) = ( 0.2702703 -0.2702703 0.0000000), wk = 0.0019120 k( 370) = ( 0.2635135 -0.2635135 0.0000000), wk = 0.0019120 k( 371) = ( 0.2567568 -0.2567568 0.0000000), wk = 0.0019120 k( 372) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0019120 k( 373) = ( 0.2432432 -0.2432432 0.0000000), wk = 0.0019120 k( 374) = ( 0.2364865 -0.2364865 0.0000000), wk = 0.0019120 k( 375) = ( 0.2297297 -0.2297297 0.0000000), wk = 0.0019120 k( 376) = ( 0.2229730 -0.2229730 0.0000000), wk = 0.0019120 k( 377) = ( 0.2162162 -0.2162162 0.0000000), wk = 0.0019120 k( 378) = ( 0.2094595 -0.2094595 0.0000000), wk = 0.0019120 k( 379) = ( 0.2027027 -0.2027027 0.0000000), wk = 0.0019120 k( 380) = ( 0.1959460 -0.1959459 0.0000000), wk = 0.0019120 k( 381) = ( 0.1891892 -0.1891892 0.0000000), wk = 0.0019120 k( 382) = ( 0.1824324 -0.1824324 0.0000000), wk = 0.0019120 k( 383) = ( 0.1756757 -0.1756757 0.0000000), wk = 0.0019120 k( 384) = ( 0.1689189 -0.1689189 0.0000000), wk = 0.0019120 k( 385) = ( 0.1621622 -0.1621622 0.0000000), wk = 0.0019120 k( 386) = ( 0.1554054 -0.1554054 0.0000000), wk = 0.0019120 k( 387) = ( 0.1486486 -0.1486486 0.0000000), wk = 0.0019120 k( 388) = ( 0.1418919 -0.1418919 0.0000000), wk = 0.0019120 k( 389) = ( 0.1351351 -0.1351351 0.0000000), wk = 0.0019120 k( 390) = ( 0.1283784 -0.1283784 0.0000000), wk = 0.0019120 k( 391) = ( 0.1216216 -0.1216216 0.0000000), wk = 0.0019120 k( 392) = ( 0.1148649 -0.1148649 0.0000000), wk = 0.0019120 k( 393) = ( 0.1081081 -0.1081081 0.0000000), wk = 0.0019120 k( 394) = ( 0.1013514 -0.1013513 0.0000000), wk = 0.0019120 k( 395) = ( 0.0945946 -0.0945946 0.0000000), wk = 0.0019120 k( 396) = ( 0.0878378 -0.0878378 0.0000000), wk = 0.0019120 k( 397) = ( 0.0810811 -0.0810811 0.0000000), wk = 0.0019120 k( 398) = ( 0.0743243 -0.0743243 0.0000000), wk = 0.0019120 k( 399) = ( 0.0675676 -0.0675676 0.0000000), wk = 0.0019120 k( 400) = ( 0.0608108 -0.0608108 0.0000000), wk = 0.0019120 k( 401) = ( 0.0540540 -0.0540540 0.0000000), wk = 0.0019120 k( 402) = ( 0.0472973 -0.0472973 0.0000000), wk = 0.0019120 k( 403) = ( 0.0405405 -0.0405405 0.0000000), wk = 0.0019120 k( 404) = ( 0.0337838 -0.0337838 -0.0000000), wk = 0.0019120 k( 405) = ( 0.0270270 -0.0270270 0.0000000), wk = 0.0019120 k( 406) = ( 0.0202703 -0.0202703 0.0000000), wk = 0.0019120 k( 407) = ( 0.0135135 -0.0135135 0.0000000), wk = 0.0019120 k( 408) = ( 0.0067568 -0.0067568 0.0000000), wk = 0.0019120 k( 409) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 410) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 411) = ( 0.0090909 -0.0000000 -0.0000000), wk = 0.0019120 k( 412) = ( 0.0181818 -0.0000000 -0.0000000), wk = 0.0019120 k( 413) = ( 0.0272727 0.0000000 -0.0000000), wk = 0.0019120 k( 414) = ( 0.0363636 -0.0000000 -0.0000000), wk = 0.0019120 k( 415) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0019120 k( 416) = ( 0.0545455 -0.0000000 0.0000000), wk = 0.0019120 k( 417) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0019120 k( 418) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0019120 k( 419) = ( 0.0818182 -0.0000000 0.0000000), wk = 0.0019120 k( 420) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0019120 k( 421) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0019120 k( 422) = ( 0.1090909 0.0000000 -0.0000000), wk = 0.0019120 k( 423) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0019120 k( 424) = ( 0.1272727 -0.0000000 0.0000000), wk = 0.0019120 k( 425) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0019120 k( 426) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0019120 k( 427) = ( 0.1545455 -0.0000000 0.0000000), wk = 0.0019120 k( 428) = ( 0.1636364 -0.0000000 0.0000000), wk = 0.0019120 k( 429) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0019120 k( 430) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0019120 k( 431) = ( 0.1909091 0.0000000 -0.0000000), wk = 0.0019120 k( 432) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0019120 k( 433) = ( 0.2090909 -0.0000000 -0.0000000), wk = 0.0019120 k( 434) = ( 0.2181818 0.0000000 -0.0000000), wk = 0.0019120 k( 435) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0019120 k( 436) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0019120 k( 437) = ( 0.2454545 -0.0000000 0.0000000), wk = 0.0019120 k( 438) = ( 0.2545455 -0.0000000 -0.0000000), wk = 0.0019120 k( 439) = ( 0.2636364 -0.0000000 0.0000000), wk = 0.0019120 k( 440) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0019120 k( 441) = ( 0.2818182 0.0000000 -0.0000000), wk = 0.0019120 k( 442) = ( 0.2909091 -0.0000000 0.0000000), wk = 0.0019120 k( 443) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0019120 k( 444) = ( 0.3090909 -0.0000000 0.0000000), wk = 0.0019120 k( 445) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0019120 k( 446) = ( 0.3272727 0.0000000 -0.0000000), wk = 0.0019120 k( 447) = ( 0.3363636 -0.0000000 0.0000000), wk = 0.0019120 k( 448) = ( 0.3454546 -0.0000000 0.0000000), wk = 0.0019120 k( 449) = ( 0.3545454 -0.0000000 -0.0000000), wk = 0.0019120 k( 450) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0019120 k( 451) = ( 0.3727273 -0.0000000 0.0000000), wk = 0.0019120 k( 452) = ( 0.3818182 0.0000000 -0.0000000), wk = 0.0019120 k( 453) = ( 0.3909091 0.0000000 -0.0000000), wk = 0.0019120 k( 454) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0019120 k( 455) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0019120 k( 456) = ( 0.4181818 -0.0000000 -0.0000000), wk = 0.0019120 k( 457) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0019120 k( 458) = ( 0.4363636 0.0000000 -0.0000000), wk = 0.0019120 k( 459) = ( 0.4454546 -0.0000000 -0.0000000), wk = 0.0019120 k( 460) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0019120 k( 461) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0019120 k( 462) = ( 0.4727273 0.0000000 -0.0000000), wk = 0.0019120 k( 463) = ( 0.4818182 -0.0000000 -0.0000000), wk = 0.0019120 k( 464) = ( 0.4909091 -0.0000000 0.0000000), wk = 0.0019120 k( 465) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 466) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 467) = ( 0.4912281 -0.0000000 0.4912281), wk = 0.0019120 k( 468) = ( 0.4824561 0.0000000 0.4824561), wk = 0.0019120 k( 469) = ( 0.4736842 0.0000000 0.4736842), wk = 0.0019120 k( 470) = ( 0.4649123 -0.0000000 0.4649123), wk = 0.0019120 k( 471) = ( 0.4561404 -0.0000000 0.4561404), wk = 0.0019120 k( 472) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0019120 k( 473) = ( 0.4385965 0.0000000 0.4385965), wk = 0.0019120 k( 474) = ( 0.4298246 -0.0000000 0.4298246), wk = 0.0019120 k( 475) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0019120 k( 476) = ( 0.4122807 0.0000000 0.4122807), wk = 0.0019120 k( 477) = ( 0.4035088 -0.0000000 0.4035088), wk = 0.0019120 k( 478) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0019120 k( 479) = ( 0.3859649 0.0000000 0.3859649), wk = 0.0019120 k( 480) = ( 0.3771930 0.0000000 0.3771930), wk = 0.0019120 k( 481) = ( 0.3684211 -0.0000000 0.3684210), wk = 0.0019120 k( 482) = ( 0.3596491 -0.0000000 0.3596491), wk = 0.0019120 k( 483) = ( 0.3508772 -0.0000000 0.3508772), wk = 0.0019120 k( 484) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0019120 k( 485) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0019120 k( 486) = ( 0.3245614 0.0000000 0.3245614), wk = 0.0019120 k( 487) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0019120 k( 488) = ( 0.3070175 -0.0000000 0.3070175), wk = 0.0019120 k( 489) = ( 0.2982456 -0.0000000 0.2982456), wk = 0.0019120 k( 490) = ( 0.2894737 -0.0000000 0.2894737), wk = 0.0019120 k( 491) = ( 0.2807018 0.0000000 0.2807018), wk = 0.0019120 k( 492) = ( 0.2719298 -0.0000000 0.2719298), wk = 0.0019120 k( 493) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0019120 k( 494) = ( 0.2543860 -0.0000000 0.2543860), wk = 0.0019120 k( 495) = ( 0.2456140 0.0000000 0.2456140), wk = 0.0019120 k( 496) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0019120 k( 497) = ( 0.2280702 0.0000000 0.2280702), wk = 0.0019120 k( 498) = ( 0.2192983 0.0000000 0.2192983), wk = 0.0019120 k( 499) = ( 0.2105263 0.0000000 0.2105263), wk = 0.0019120 k( 500) = ( 0.2017544 -0.0000000 0.2017544), wk = 0.0019120 k( 501) = ( 0.1929825 0.0000000 0.1929825), wk = 0.0019120 k( 502) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0019120 k( 503) = ( 0.1754386 -0.0000000 0.1754386), wk = 0.0019120 k( 504) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0019120 k( 505) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0019120 k( 506) = ( 0.1491228 -0.0000000 0.1491228), wk = 0.0019120 k( 507) = ( 0.1403509 -0.0000000 0.1403509), wk = 0.0019120 k( 508) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0019120 k( 509) = ( 0.1228070 0.0000000 0.1228070), wk = 0.0019120 k( 510) = ( 0.1140351 0.0000000 0.1140351), wk = 0.0019120 k( 511) = ( 0.1052632 0.0000000 0.1052632), wk = 0.0019120 k( 512) = ( 0.0964912 0.0000000 0.0964912), wk = 0.0019120 k( 513) = ( 0.0877193 -0.0000000 0.0877193), wk = 0.0019120 k( 514) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0019120 k( 515) = ( 0.0701754 -0.0000000 0.0701754), wk = 0.0019120 k( 516) = ( 0.0614035 0.0000000 0.0614035), wk = 0.0019120 k( 517) = ( 0.0526316 0.0000000 0.0526316), wk = 0.0019120 k( 518) = ( 0.0438597 -0.0000000 0.0438596), wk = 0.0019120 k( 519) = ( 0.0350877 -0.0000000 0.0350877), wk = 0.0019120 k( 520) = ( 0.0263158 0.0000000 0.0263158), wk = 0.0019120 k( 521) = ( 0.0175439 -0.0000000 0.0175439), wk = 0.0019120 k( 522) = ( 0.0087719 -0.0000000 0.0087719), wk = 0.0019120 k( 523) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 Dense grid: 25531 G-vectors FFT dimensions: ( 36, 36, 50) Smooth grid: 11287 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 98, 20) NL pseudopotentials 0.02 Mb ( 49, 28) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 708) G-vector shells 0.01 Mb ( 708) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 98, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 28, 2, 20) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./O2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.5 secs Computing kpt #: 5 total cpu time spent up to now is 1.6 secs Computing kpt #: 6 total cpu time spent up to now is 1.7 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 secs Computing kpt #: 13 total cpu time spent up to now is 2.2 secs Computing kpt #: 14 total cpu time spent up to now is 2.3 secs Computing kpt #: 15 total cpu time spent up to now is 2.4 secs Computing kpt #: 16 total cpu time spent up to now is 2.5 secs Computing kpt #: 17 total cpu time spent up to now is 2.5 secs Computing kpt #: 18 total cpu time spent up to now is 2.6 secs Computing kpt #: 19 total cpu time spent up to now is 2.7 secs Computing kpt #: 20 total cpu time spent up to now is 2.8 secs Computing kpt #: 21 total cpu time spent up to now is 2.9 secs Computing kpt #: 22 total cpu time spent up to now is 2.9 secs Computing kpt #: 23 total cpu time spent up to now is 3.0 secs Computing kpt #: 24 total cpu time spent up to now is 3.1 secs Computing kpt #: 25 total cpu time spent up to now is 3.2 secs Computing kpt #: 26 total cpu time spent up to now is 3.3 secs Computing kpt #: 27 total cpu time spent up to now is 3.4 secs Computing kpt #: 28 total cpu time spent up to now is 3.4 secs Computing kpt #: 29 total cpu time spent up to now is 3.5 secs Computing kpt #: 30 total cpu time spent up to now is 3.6 secs Computing kpt #: 31 total cpu time spent up to now is 3.7 secs Computing kpt #: 32 total cpu time spent up to now is 3.8 secs Computing kpt #: 33 total cpu time spent up to now is 3.8 secs Computing kpt #: 34 total cpu time spent up to now is 3.9 secs Computing kpt #: 35 total cpu time spent up to now is 4.0 secs Computing kpt #: 36 total cpu time spent up to now is 4.1 secs Computing kpt #: 37 total cpu time spent up to now is 4.2 secs Computing kpt #: 38 total cpu time spent up to now is 4.3 secs Computing kpt #: 39 total cpu time spent up to now is 4.3 secs Computing kpt #: 40 total cpu time spent up to now is 4.4 secs Computing kpt #: 41 total cpu time spent up to now is 4.5 secs Computing kpt #: 42 total cpu time spent up to now is 4.6 secs Computing kpt #: 43 total cpu time spent up to now is 4.7 secs Computing kpt #: 44 total cpu time spent up to now is 4.9 secs Computing kpt #: 45 total cpu time spent up to now is 5.0 secs Computing kpt #: 46 total cpu time spent up to now is 5.1 secs Computing kpt #: 47 total cpu time spent up to now is 5.1 secs Computing kpt #: 48 total cpu time spent up to now is 5.2 secs Computing kpt #: 49 total cpu time spent up to now is 5.3 secs Computing kpt #: 50 total cpu time spent up to now is 5.4 secs Computing kpt #: 51 total cpu time spent up to now is 5.5 secs Computing kpt #: 52 total cpu time spent up to now is 5.6 secs Computing kpt #: 53 total cpu time spent up to now is 5.7 secs Computing kpt #: 54 total cpu time spent up to now is 5.8 secs Computing kpt #: 55 total cpu time spent up to now is 5.9 secs Computing kpt #: 56 total cpu time spent up to now is 6.0 secs Computing kpt #: 57 total cpu time spent up to now is 6.1 secs Computing kpt #: 58 total cpu time spent up to now is 6.2 secs Computing kpt #: 59 total cpu time spent up to now is 6.3 secs Computing kpt #: 60 total cpu time spent up to now is 6.4 secs Computing kpt #: 61 total cpu time spent up to now is 6.5 secs Computing kpt #: 62 total cpu time spent up to now is 6.6 secs Computing kpt #: 63 total cpu time spent up to now is 6.7 secs Computing kpt #: 64 total cpu time spent up to now is 6.8 secs Computing kpt #: 65 total cpu time spent up to now is 6.9 secs Computing kpt #: 66 total cpu time spent up to now is 7.0 secs Computing kpt #: 67 total cpu time spent up to now is 7.1 secs Computing kpt #: 68 total cpu time spent up to now is 7.3 secs Computing kpt #: 69 total cpu time spent up to now is 7.5 secs Computing kpt #: 70 total cpu time spent up to now is 7.6 secs Computing kpt #: 71 total cpu time spent up to now is 7.8 secs Computing kpt #: 72 total cpu time spent up to now is 8.0 secs Computing kpt #: 73 total cpu time spent up to now is 8.1 secs Computing kpt #: 74 total cpu time spent up to now is 8.3 secs Computing kpt #: 75 total cpu time spent up to now is 8.4 secs Computing kpt #: 76 total cpu time spent up to now is 8.6 secs Computing kpt #: 77 total cpu time spent up to now is 8.7 secs Computing kpt #: 78 total cpu time spent up to now is 8.8 secs Computing kpt #: 79 total cpu time spent up to now is 9.0 secs Computing kpt #: 80 total cpu time spent up to now is 9.2 secs Computing kpt #: 81 total cpu time spent up to now is 9.3 secs Computing kpt #: 82 total cpu time spent up to now is 9.4 secs Computing kpt #: 83 total cpu time spent up to now is 9.6 secs Computing kpt #: 84 total cpu time spent up to now is 9.7 secs Computing kpt #: 85 total cpu time spent up to now is 9.9 secs Computing kpt #: 86 total cpu time spent up to now is 10.0 secs Computing kpt #: 87 total cpu time spent up to now is 10.1 secs Computing kpt #: 88 total cpu time spent up to now is 10.3 secs Computing kpt #: 89 total cpu time spent up to now is 10.4 secs Computing kpt #: 90 total cpu time spent up to now is 10.5 secs Computing kpt #: 91 total cpu time spent up to now is 10.6 secs Computing kpt #: 92 total cpu time spent up to now is 10.7 secs Computing kpt #: 93 total cpu time spent up to now is 10.8 secs Computing kpt #: 94 total cpu time spent up to now is 10.9 secs Computing kpt #: 95 total cpu time spent up to 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kpt #: 111 total cpu time spent up to now is 12.8 secs Computing kpt #: 112 total cpu time spent up to now is 12.9 secs Computing kpt #: 113 total cpu time spent up to now is 13.0 secs Computing kpt #: 114 total cpu time spent up to now is 13.1 secs Computing kpt #: 115 total cpu time spent up to now is 13.3 secs Computing kpt #: 116 total cpu time spent up to now is 13.4 secs Computing kpt #: 117 total cpu time spent up to now is 13.6 secs Computing kpt #: 118 total cpu time spent up to now is 13.7 secs Computing kpt #: 119 total cpu time spent up to now is 13.8 secs Computing kpt #: 120 total cpu time spent up to now is 14.0 secs Computing kpt #: 121 total cpu time spent up to now is 14.1 secs Computing kpt #: 122 total cpu time spent up to now is 14.3 secs Computing kpt #: 123 total cpu time spent up to now is 14.5 secs Computing kpt #: 124 total cpu time spent up to now is 14.7 secs Computing kpt #: 125 total cpu time spent up to now is 14.9 secs Computing kpt #: 126 total cpu time 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secs Computing kpt #: 142 total cpu time spent up to now is 17.4 secs Computing kpt #: 143 total cpu time spent up to now is 17.5 secs Computing kpt #: 144 total cpu time spent up to now is 17.6 secs Computing kpt #: 145 total cpu time spent up to now is 17.7 secs Computing kpt #: 146 total cpu time spent up to now is 17.8 secs Computing kpt #: 147 total cpu time spent up to now is 17.9 secs Computing kpt #: 148 total cpu time spent up to now is 18.0 secs Computing kpt #: 149 total cpu time spent up to now is 18.1 secs Computing kpt #: 150 total cpu time spent up to now is 18.1 secs Computing kpt #: 151 total cpu time spent up to now is 18.2 secs Computing kpt #: 152 total cpu time spent up to now is 18.3 secs Computing kpt #: 153 total cpu time spent up to now is 18.4 secs Computing kpt #: 154 total cpu time spent up to now is 18.5 secs Computing kpt #: 155 total cpu time spent up to now is 18.6 secs Computing kpt #: 156 total cpu time spent up to now is 18.7 secs Computing kpt #: 157 total cpu time spent up to now is 18.7 secs Computing kpt #: 158 total cpu time spent up to now is 18.8 secs Computing kpt #: 159 total cpu time spent up to now is 18.9 secs Computing kpt #: 160 total cpu time spent up to now is 19.0 secs Computing kpt #: 161 total cpu time spent up to now is 19.1 secs Computing kpt #: 162 total cpu time spent up to now is 19.2 secs Computing kpt #: 163 total cpu time spent up to now is 19.2 secs Computing kpt #: 164 total cpu time spent up to now is 19.3 secs Computing kpt #: 165 total cpu time spent up to now is 19.4 secs Computing kpt #: 166 total cpu time spent up to now is 19.5 secs Computing kpt #: 167 total cpu time spent up to now is 19.5 secs Computing kpt #: 168 total cpu time spent up to now is 19.6 secs Computing kpt #: 169 total cpu time spent up to now is 19.7 secs Computing kpt #: 170 total cpu time spent up to now is 19.9 secs Computing kpt #: 171 total cpu time spent up to now is 20.0 secs Computing kpt #: 172 total cpu time spent up to now is 20.0 secs Computing kpt #: 173 total cpu time spent up to now is 20.1 secs Computing kpt #: 174 total cpu time spent up to now is 20.2 secs Computing kpt #: 175 total cpu time spent up to now is 20.2 secs Computing kpt #: 176 total cpu time spent up to now is 20.3 secs Computing kpt #: 177 total cpu time spent up to now is 20.4 secs Computing kpt #: 178 total cpu time spent up to now is 20.5 secs Computing kpt #: 179 total cpu time spent up to now is 20.5 secs Computing kpt #: 180 total cpu time spent up to now is 20.6 secs Computing kpt #: 181 total cpu time spent up to now is 20.7 secs Computing kpt #: 182 total cpu time spent up to now is 20.7 secs Computing kpt #: 183 total cpu time spent up to now is 20.8 secs Computing kpt #: 184 total cpu time spent up to now is 20.9 secs Computing kpt #: 185 total cpu time spent up to now is 21.0 secs Computing kpt #: 186 total cpu time spent up to now is 21.0 secs Computing kpt #: 187 total cpu time spent up to now is 21.1 secs Computing kpt #: 188 total cpu time spent up to now is 21.2 secs Computing kpt #: 189 total cpu time spent up to now is 21.2 secs Computing kpt #: 190 total cpu time spent up to now is 21.3 secs Computing kpt #: 191 total cpu time spent up to now is 21.4 secs Computing kpt #: 192 total cpu time spent up to now is 21.4 secs Computing kpt #: 193 total cpu time spent up to now is 21.5 secs Computing kpt #: 194 total cpu time spent up to now is 21.6 secs Computing kpt #: 195 total cpu time spent up to now is 21.6 secs Computing kpt #: 196 total cpu time spent up to now is 21.7 secs Computing kpt #: 197 total cpu time spent up to now is 21.8 secs Computing kpt #: 198 total cpu time spent up to now is 21.8 secs Computing kpt #: 199 total cpu time spent up to now is 21.9 secs Computing kpt #: 200 total cpu time spent up to now is 22.0 secs Computing kpt #: 201 total cpu time spent up to now is 22.0 secs Computing kpt #: 202 total cpu time spent up to now is 22.1 secs Computing kpt #: 203 total cpu time spent up to now is 22.1 secs Computing kpt #: 204 total cpu time spent up to now is 22.2 secs Computing kpt #: 205 total cpu time spent up to now is 22.3 secs Computing kpt #: 206 total cpu time spent up to now is 22.3 secs Computing kpt #: 207 total cpu time spent up to now is 22.4 secs Computing kpt #: 208 total cpu time spent up to now is 22.5 secs Computing kpt #: 209 total cpu time spent up to now is 22.5 secs Computing kpt #: 210 total cpu time spent up to now is 22.6 secs Computing kpt #: 211 total cpu time spent up to now is 22.7 secs Computing kpt #: 212 total cpu time spent up to now is 22.7 secs Computing kpt #: 213 total cpu time spent up to now is 22.8 secs Computing kpt #: 214 total cpu time spent up to now is 22.9 secs Computing kpt #: 215 total cpu time spent up to now is 22.9 secs Computing kpt #: 216 total cpu time spent up to now is 23.0 secs Computing kpt #: 217 total cpu time spent up to now is 23.1 secs Computing kpt #: 218 total cpu time spent up to now is 23.1 secs Computing kpt #: 219 total cpu time spent up to now is 23.2 secs Computing kpt #: 220 total cpu time spent up to now is 23.2 secs Computing kpt #: 221 total cpu time spent up to now is 23.3 secs Computing kpt #: 222 total cpu time spent up to now is 23.4 secs Computing kpt #: 223 total cpu time spent up to now is 23.4 secs Computing kpt #: 224 total cpu time spent up to now is 23.5 secs Computing kpt #: 225 total cpu time spent up to now is 23.6 secs Computing kpt #: 226 total cpu time spent up to now is 23.6 secs Computing kpt #: 227 total cpu time spent up to now is 23.7 secs Computing kpt #: 228 total cpu time spent up to now is 23.8 secs Computing kpt #: 229 total cpu time spent up to now is 23.8 secs Computing kpt #: 230 total cpu time spent up to now is 23.9 secs Computing kpt #: 231 total cpu time spent up to now is 24.0 secs Computing kpt #: 232 total cpu time spent up to now is 24.1 secs Computing kpt #: 233 total cpu time spent up to now is 24.1 secs Computing kpt #: 234 total cpu time spent up to now is 24.2 secs Computing kpt #: 235 total cpu time spent up to now is 24.3 secs Computing kpt #: 236 total cpu time spent up to now is 24.3 secs Computing kpt #: 237 total cpu time spent up to now is 24.4 secs Computing kpt #: 238 total cpu time spent up to now is 24.5 secs Computing kpt #: 239 total cpu time spent up to now is 24.6 secs Computing kpt #: 240 total cpu time spent up to now is 24.6 secs Computing kpt #: 241 total cpu time spent up to now is 24.7 secs Computing kpt #: 242 total cpu time spent up to now is 24.8 secs Computing kpt #: 243 total cpu time spent up to now is 24.9 secs Computing kpt #: 244 total cpu time spent up to now is 25.0 secs Computing kpt #: 245 total cpu time spent up to now is 25.0 secs Computing kpt #: 246 total cpu time spent up to now is 25.1 secs Computing kpt #: 247 total cpu time spent up to now is 25.2 secs Computing kpt #: 248 total cpu time spent up to now is 25.3 secs Computing kpt #: 249 total cpu time spent up to now is 25.4 secs Computing kpt #: 250 total cpu time spent up to now is 25.4 secs Computing kpt #: 251 total cpu time spent up to now is 25.5 secs Computing kpt #: 252 total cpu time spent up to now is 25.6 secs Computing kpt #: 253 total cpu time spent up to now is 25.7 secs Computing kpt #: 254 total cpu time spent up to now is 25.8 secs Computing kpt #: 255 total cpu time spent up to now is 25.9 secs Computing kpt #: 256 total cpu time spent up to now is 26.0 secs Computing kpt #: 257 total cpu time spent up to now is 26.0 secs Computing kpt #: 258 total cpu time spent up to now is 26.1 secs Computing kpt #: 259 total cpu time spent up to now is 26.2 secs Computing kpt #: 260 total cpu time spent up to now is 26.3 secs Computing kpt #: 261 total cpu time spent up to now is 26.4 secs Computing kpt #: 262 total cpu time spent up to now is 26.5 secs Computing kpt #: 263 total cpu time spent up to now is 26.6 secs Computing kpt #: 264 total cpu time spent up to now is 26.7 secs Computing kpt #: 265 total cpu time spent up to now is 26.8 secs Computing kpt #: 266 total cpu time spent up to now is 26.9 secs Computing kpt #: 267 total cpu time spent up to now is 27.0 secs Computing kpt #: 268 total cpu time spent up to now is 27.1 secs Computing kpt #: 269 total cpu time spent up to now is 27.2 secs Computing kpt #: 270 total cpu time spent up to now is 27.3 secs Computing kpt #: 271 total cpu time spent up to now is 27.4 secs Computing kpt #: 272 total cpu time spent up to now is 27.5 secs Computing kpt #: 273 total cpu time spent up to now is 27.6 secs Computing kpt #: 274 total cpu time spent up to now is 27.7 secs Computing kpt #: 275 total cpu time spent up to now is 27.8 secs Computing kpt #: 276 total cpu time spent up to now is 27.9 secs Computing kpt #: 277 total cpu time spent up to now is 28.0 secs Computing kpt #: 278 total cpu time spent up to now is 28.2 secs Computing kpt #: 279 total cpu time spent up to now is 28.3 secs Computing kpt #: 280 total cpu time spent up to now is 28.4 secs Computing kpt #: 281 total cpu time spent up to now is 28.5 secs Computing kpt #: 282 total cpu time spent up to now is 28.6 secs Computing kpt #: 283 total cpu time spent up to now is 28.7 secs Computing kpt #: 284 total cpu time spent up to now is 28.8 secs Computing kpt #: 285 total cpu time spent up to now is 28.9 secs Computing kpt #: 286 total cpu time spent up to now is 29.0 secs Computing kpt #: 287 total cpu time spent up to now is 29.1 secs Computing kpt #: 288 total cpu time spent up to now is 29.2 secs Computing kpt #: 289 total cpu time spent up to now is 29.3 secs Computing kpt #: 290 total cpu time spent up to now is 29.4 secs Computing kpt #: 291 total cpu time spent up to now is 29.5 secs Computing kpt #: 292 total cpu time spent up to now is 29.6 secs Computing kpt #: 293 total cpu time spent up to now is 29.7 secs Computing kpt #: 294 total cpu time spent up to now is 29.9 secs Computing kpt #: 295 total cpu time spent up to now is 30.0 secs Computing kpt #: 296 total cpu time spent up to now is 30.1 secs Computing kpt #: 297 total cpu time spent up to now is 30.2 secs Computing kpt #: 298 total cpu time spent up to now is 30.3 secs Computing kpt #: 299 total cpu time spent up to now is 30.4 secs Computing kpt #: 300 total cpu time spent up to now is 30.5 secs Computing kpt #: 301 total cpu time spent up to now is 30.7 secs Computing kpt #: 302 total cpu time spent up to now is 30.8 secs Computing kpt #: 303 total cpu time spent up to now is 30.9 secs Computing kpt #: 304 total cpu time spent up to now is 31.0 secs Computing kpt #: 305 total cpu time spent up to now is 31.1 secs Computing kpt #: 306 total cpu time spent up to now is 31.3 secs Computing kpt #: 307 total cpu time spent up to now is 31.4 secs Computing kpt #: 308 total cpu time spent up to now is 31.5 secs Computing kpt #: 309 total cpu time spent up to now is 31.6 secs Computing kpt #: 310 total cpu time spent up to now is 31.7 secs Computing kpt #: 311 total cpu time spent up to now is 31.8 secs Computing kpt #: 312 total cpu time spent up to now is 31.9 secs Computing kpt #: 313 total cpu time spent up to now is 32.1 secs Computing kpt #: 314 total cpu time spent up to now is 32.2 secs Computing kpt #: 315 total cpu time spent up to now is 32.3 secs Computing kpt #: 316 total cpu time spent up to now is 32.5 secs Computing kpt #: 317 total cpu time spent up to now is 32.7 secs Computing kpt #: 318 total cpu time spent up to now is 32.8 secs Computing kpt #: 319 total cpu time spent up to now is 32.9 secs Computing kpt #: 320 total cpu time spent up to now is 33.1 secs Computing kpt #: 321 total cpu time spent up to now is 33.2 secs Computing kpt #: 322 total cpu time spent up to now is 33.3 secs Computing kpt #: 323 total cpu time spent up to now is 33.4 secs Computing kpt #: 324 total cpu time spent up to now is 33.5 secs Computing kpt #: 325 total cpu time spent up to now is 33.6 secs Computing kpt #: 326 total cpu time spent up to now is 33.7 secs Computing kpt #: 327 total cpu time spent up to now is 33.9 secs Computing kpt #: 328 total cpu time spent up to now is 34.0 secs Computing kpt #: 329 total cpu time spent up to now is 34.1 secs Computing kpt #: 330 total cpu time spent up to now is 34.2 secs Computing kpt #: 331 total cpu time spent up to now is 34.3 secs Computing kpt #: 332 total cpu time spent up to now is 34.4 secs Computing kpt #: 333 total cpu time spent up to now is 34.5 secs Computing kpt #: 334 total cpu time spent up to now is 34.6 secs Computing kpt #: 335 total cpu time spent up to now is 34.7 secs Computing kpt #: 336 total cpu time spent up to now is 34.8 secs Computing kpt #: 337 total cpu time spent up to now is 34.9 secs Computing kpt #: 338 total cpu time spent up to now is 35.0 secs Computing kpt #: 339 total cpu time spent up to now is 35.1 secs Computing kpt #: 340 total cpu time spent up to now is 35.2 secs Computing kpt #: 341 total cpu time spent up to now is 35.3 secs Computing kpt #: 342 total cpu time spent up to now is 35.4 secs Computing kpt #: 343 total cpu time spent up to now is 35.5 secs Computing kpt #: 344 total cpu time spent up to now is 35.6 secs Computing kpt #: 345 total cpu time spent up to now is 35.7 secs Computing kpt #: 346 total cpu time spent up to now is 35.8 secs Computing kpt #: 347 total cpu time spent up to now is 35.9 secs Computing kpt #: 348 total cpu time spent up to now is 36.0 secs Computing kpt #: 349 total cpu time spent up to now is 36.1 secs Computing kpt #: 350 total cpu time spent up to now is 36.2 secs Computing kpt #: 351 total cpu time spent up to now is 36.3 secs Computing kpt #: 352 total cpu time spent up to now is 36.5 secs Computing kpt #: 353 total cpu time spent up to now is 36.6 secs Computing kpt #: 354 total cpu time spent up to now is 36.7 secs Computing kpt #: 355 total cpu time spent up to now is 36.8 secs Computing kpt #: 356 total cpu time spent up to now is 36.9 secs Computing kpt #: 357 total cpu time spent up to now is 37.0 secs Computing kpt #: 358 total cpu time spent up to now is 37.1 secs Computing kpt #: 359 total cpu time spent up to now is 37.2 secs Computing kpt #: 360 total cpu time spent up to now is 37.3 secs Computing kpt #: 361 total cpu time spent up to now is 37.4 secs Computing kpt #: 362 total cpu time spent up to now is 37.5 secs Computing kpt #: 363 total cpu time spent up to now is 37.6 secs Computing kpt #: 364 total cpu time spent up to now is 37.7 secs Computing kpt #: 365 total cpu time spent up to now is 37.8 secs Computing kpt #: 366 total cpu time spent up to now is 37.9 secs Computing kpt #: 367 total cpu time spent up to now is 38.0 secs Computing kpt #: 368 total cpu time spent up to now is 38.1 secs Computing kpt #: 369 total cpu time spent up to now is 38.2 secs Computing kpt #: 370 total cpu time spent up to now is 38.3 secs Computing kpt #: 371 total cpu time spent up to now is 38.4 secs Computing kpt #: 372 total cpu time spent up to now is 38.5 secs Computing kpt #: 373 total cpu time spent up to now is 38.6 secs Computing kpt #: 374 total cpu time spent up to now is 38.6 secs Computing kpt #: 375 total cpu time spent up to now is 38.7 secs Computing kpt #: 376 total cpu time spent up to now is 38.8 secs Computing kpt #: 377 total cpu time spent up to now is 38.9 secs Computing kpt #: 378 total cpu time spent up to now is 39.0 secs Computing kpt #: 379 total cpu time spent up to now is 39.1 secs Computing kpt #: 380 total cpu time spent up to now is 39.1 secs Computing kpt #: 381 total cpu time spent up to now is 39.2 secs Computing kpt #: 382 total cpu time spent up to now is 39.3 secs Computing kpt #: 383 total cpu time spent up to now is 39.4 secs Computing kpt #: 384 total cpu time spent up to now is 39.4 secs Computing kpt #: 385 total cpu time spent up to now is 39.5 secs Computing kpt #: 386 total cpu time spent up to now is 39.6 secs Computing kpt #: 387 total cpu time spent up to now is 39.7 secs Computing kpt #: 388 total cpu time spent up to now is 39.8 secs Computing kpt #: 389 total cpu time spent up to now is 39.8 secs Computing kpt #: 390 total cpu time spent up to now is 39.9 secs Computing kpt #: 391 total cpu time spent up to now is 40.0 secs Computing kpt #: 392 total cpu time spent up to now is 40.1 secs Computing kpt #: 393 total cpu time spent up to now is 40.1 secs Computing kpt #: 394 total cpu time spent up to now is 40.2 secs Computing kpt #: 395 total cpu time spent up to now is 40.3 secs Computing kpt #: 396 total cpu time spent up to now is 40.4 secs Computing kpt #: 397 total cpu time spent up to now is 40.4 secs Computing kpt #: 398 total cpu time spent up to now is 40.5 secs Computing kpt #: 399 total cpu time spent up to now is 40.6 secs Computing kpt #: 400 total cpu time spent up to now is 40.7 secs Computing kpt #: 401 total cpu time spent up to now is 40.7 secs Computing kpt #: 402 total cpu time spent up to now is 40.8 secs Computing kpt #: 403 total cpu time spent up to now is 40.9 secs Computing kpt #: 404 total cpu time spent up to now is 40.9 secs Computing kpt #: 405 total cpu time spent up to now is 41.0 secs Computing kpt #: 406 total cpu time spent up to now is 41.1 secs Computing kpt #: 407 total cpu time spent up to now is 41.2 secs Computing kpt #: 408 total cpu time spent up to now is 41.2 secs Computing kpt #: 409 total cpu time spent up to now is 41.3 secs Computing kpt #: 410 total cpu time spent up to now is 41.4 secs Computing kpt #: 411 total cpu time spent up to now is 41.4 secs Computing kpt #: 412 total cpu time spent up to now is 41.5 secs Computing kpt #: 413 total cpu time spent up to now is 41.6 secs Computing kpt #: 414 total cpu time spent up to now is 41.7 secs Computing kpt #: 415 total cpu time spent up to now is 41.7 secs Computing kpt #: 416 total cpu time spent up to now is 41.8 secs Computing kpt #: 417 total cpu time spent up to now is 41.9 secs Computing kpt #: 418 total cpu time spent up to now is 42.0 secs Computing kpt #: 419 total cpu time spent up to now is 42.0 secs Computing kpt #: 420 total cpu time spent up to now is 42.1 secs Computing kpt #: 421 total cpu time spent up to now is 42.2 secs Computing kpt #: 422 total cpu time spent up to now is 42.3 secs Computing kpt #: 423 total cpu time spent up to now is 42.4 secs Computing kpt #: 424 total cpu time spent up to now is 42.4 secs Computing kpt #: 425 total cpu time spent up to now is 42.5 secs Computing kpt #: 426 total cpu time spent up to now is 42.6 secs Computing kpt #: 427 total cpu time spent up to now is 42.7 secs Computing kpt #: 428 total cpu time spent up to now is 42.8 secs Computing kpt #: 429 total cpu time spent up to now is 42.8 secs Computing kpt #: 430 total cpu time spent up to now is 42.9 secs Computing kpt #: 431 total cpu time spent up to now is 43.0 secs Computing kpt #: 432 total cpu time spent up to now is 43.1 secs Computing kpt #: 433 total cpu time spent up to now is 43.2 secs Computing kpt #: 434 total cpu time spent up to now is 43.3 secs Computing kpt #: 435 total cpu time spent up to now is 43.3 secs Computing kpt #: 436 total cpu time spent up to now is 43.4 secs Computing kpt #: 437 total cpu time spent up to now is 43.5 secs Computing kpt #: 438 total cpu time spent up to now is 43.6 secs Computing kpt #: 439 total cpu time spent up to now is 43.7 secs Computing kpt #: 440 total cpu time spent up to now is 43.8 secs Computing kpt #: 441 total cpu time spent up to now is 43.8 secs Computing kpt #: 442 total cpu time spent up to now is 43.9 secs Computing kpt #: 443 total cpu time spent up to now is 44.0 secs Computing kpt #: 444 total cpu time spent up to now is 44.1 secs Computing kpt #: 445 total cpu time spent up to now is 44.2 secs Computing kpt #: 446 total cpu time spent up to now is 44.3 secs Computing kpt #: 447 total cpu time spent up to now is 44.4 secs Computing kpt #: 448 total cpu time spent up to now is 44.5 secs Computing kpt #: 449 total cpu time spent up to now is 44.6 secs Computing kpt #: 450 total cpu time spent up to now is 44.7 secs Computing kpt #: 451 total cpu time spent up to now is 44.8 secs Computing kpt #: 452 total cpu time spent up to now is 44.8 secs Computing kpt #: 453 total cpu time spent up to now is 44.9 secs Computing kpt #: 454 total cpu time spent up to now is 45.0 secs Computing kpt #: 455 total cpu time spent up to now is 45.1 secs Computing kpt #: 456 total cpu time spent up to now is 45.2 secs Computing kpt #: 457 total cpu time spent up to now is 45.3 secs Computing kpt #: 458 total cpu time spent up to now is 45.4 secs Computing kpt #: 459 total cpu time spent up to now is 45.5 secs Computing kpt #: 460 total cpu time spent up to now is 45.6 secs Computing kpt #: 461 total cpu time spent up to now is 45.6 secs Computing kpt #: 462 total cpu time spent up to now is 45.7 secs Computing kpt #: 463 total cpu time spent up to now is 45.8 secs Computing kpt #: 464 total cpu time spent up to now is 45.9 secs Computing kpt #: 465 total cpu time spent up to now is 46.0 secs Computing kpt #: 466 total cpu time spent up to now is 46.1 secs Computing kpt #: 467 total cpu time spent up to now is 46.1 secs Computing kpt #: 468 total cpu time spent up to now is 46.2 secs Computing kpt #: 469 total cpu time spent up to now is 46.4 secs Computing kpt #: 470 total cpu time spent up to now is 46.4 secs Computing kpt #: 471 total cpu time spent up to now is 46.5 secs Computing kpt #: 472 total cpu time spent up to now is 46.6 secs Computing kpt #: 473 total cpu time spent up to now is 46.7 secs Computing kpt #: 474 total cpu time spent up to now is 46.8 secs Computing kpt #: 475 total cpu time spent up to now is 46.9 secs Computing kpt #: 476 total cpu time spent up to now is 47.0 secs Computing kpt #: 477 total cpu time spent up to now is 47.1 secs Computing kpt #: 478 total cpu time spent up to now is 47.2 secs Computing kpt #: 479 total cpu time spent up to now is 47.2 secs Computing kpt #: 480 total cpu time spent up to now is 47.3 secs Computing kpt #: 481 total cpu time spent up to now is 47.4 secs Computing kpt #: 482 total cpu time spent up to now is 47.5 secs Computing kpt #: 483 total cpu time spent up to now is 47.6 secs Computing kpt #: 484 total cpu time spent up to now is 47.7 secs Computing kpt #: 485 total cpu time spent up to now is 47.8 secs Computing kpt #: 486 total cpu time spent up to now is 47.9 secs Computing kpt #: 487 total cpu time spent up to now is 47.9 secs Computing kpt #: 488 total cpu time spent up to now is 48.0 secs Computing kpt #: 489 total cpu time spent up to now is 48.1 secs Computing kpt #: 490 total cpu time spent up to now is 48.2 secs Computing kpt #: 491 total cpu time spent up to now is 48.3 secs Computing kpt #: 492 total cpu time spent up to now is 48.4 secs Computing kpt #: 493 total cpu time spent up to now is 48.4 secs Computing kpt #: 494 total cpu time spent up to now is 48.5 secs Computing kpt #: 495 total cpu time spent up to now is 48.6 secs Computing kpt #: 496 total cpu time spent up to now is 48.7 secs Computing kpt #: 497 total cpu time spent up to now is 48.7 secs Computing kpt #: 498 total cpu time spent up to now is 48.8 secs Computing kpt #: 499 total cpu time spent up to now is 48.9 secs Computing kpt #: 500 total cpu time spent up to now is 49.0 secs Computing kpt #: 501 total cpu time spent up to now is 49.1 secs Computing kpt #: 502 total cpu time spent up to now is 49.1 secs Computing kpt #: 503 total cpu time spent up to now is 49.2 secs Computing kpt #: 504 total cpu time spent up to now is 49.3 secs Computing kpt #: 505 total cpu time spent up to now is 49.4 secs Computing kpt #: 506 total cpu time spent up to now is 49.4 secs Computing kpt #: 507 total cpu time spent up to now is 49.5 secs Computing kpt #: 508 total cpu time spent up to now is 49.6 secs Computing kpt #: 509 total cpu time spent up to now is 49.7 secs Computing kpt #: 510 total cpu time spent up to now is 49.8 secs Computing kpt #: 511 total cpu time spent up to now is 49.9 secs Computing kpt #: 512 total cpu time spent up to now is 49.9 secs Computing kpt #: 513 total cpu time spent up to now is 50.0 secs Computing kpt #: 514 total cpu time spent up to now is 50.1 secs Computing kpt #: 515 total cpu time spent up to now is 50.2 secs Computing kpt #: 516 total cpu time spent up to now is 50.3 secs Computing kpt #: 517 total cpu time spent up to now is 50.3 secs Computing kpt #: 518 total cpu time spent up to now is 50.4 secs Computing kpt #: 519 total cpu time spent up to now is 50.5 secs Computing kpt #: 520 total cpu time spent up to now is 50.6 secs Computing kpt #: 521 total cpu time spent up to now is 50.6 secs Computing kpt #: 522 total cpu time spent up to now is 50.7 secs Computing kpt #: 523 total cpu time spent up to now is 50.8 secs ethr = 8.33E-08, avg # of iterations = 20.4 total cpu time spent up to now is 50.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1407 PWs) bands (ev): -27.4447 -27.4447 -15.2498 -15.2498 -8.7473 -8.7473 -7.2613 -7.2613 -7.2372 -7.2372 -0.8659 -0.8659 -0.8354 -0.8354 5.3087 5.3087 8.7717 8.7717 10.1674 10.1674 k = 0.0066 0.0066-0.0020 ( 1404 PWs) bands (ev): -27.4447 -27.4447 -15.2497 -15.2497 -8.7471 -8.7471 -7.2617 -7.2617 -7.2376 -7.2376 -0.8663 -0.8663 -0.8357 -0.8357 5.3103 5.3103 8.7714 8.7714 10.1686 10.1686 k = 0.0131 0.0132-0.0040 ( 1406 PWs) bands (ev): -27.4444 -27.4444 -15.2493 -15.2493 -8.7465 -8.7465 -7.2630 -7.2630 -7.2390 -7.2390 -0.8674 -0.8674 -0.8369 -0.8369 5.3149 5.3149 8.7707 8.7707 10.1722 10.1722 k = 0.0197 0.0197-0.0060 ( 1405 PWs) bands (ev): -27.4439 -27.4439 -15.2487 -15.2487 -8.7457 -8.7457 -7.2652 -7.2652 -7.2412 -7.2412 -0.8693 -0.8693 -0.8387 -0.8387 5.3226 5.3226 8.7694 8.7694 10.1783 10.1783 k = 0.0263 0.0263-0.0080 ( 1405 PWs) bands (ev): -27.4432 -27.4432 -15.2479 -15.2479 -8.7444 -8.7444 -7.2683 -7.2683 -7.2443 -7.2443 -0.8719 -0.8719 -0.8413 -0.8413 5.3334 5.3334 8.7677 8.7677 10.1867 10.1867 k = 0.0329 0.0329-0.0100 ( 1409 PWs) bands (ev): -27.4424 -27.4424 -15.2468 -15.2468 -8.7428 -8.7428 -7.2723 -7.2723 -7.2483 -7.2483 -0.8753 -0.8753 -0.8446 -0.8446 5.3471 5.3471 8.7655 8.7655 10.1975 10.1975 k = 0.0394 0.0395-0.0120 ( 1413 PWs) bands (ev): -27.4413 -27.4413 -15.2454 -15.2454 -8.7409 -8.7409 -7.2771 -7.2771 -7.2531 -7.2531 -0.8794 -0.8794 -0.8486 -0.8486 5.3639 5.3639 8.7629 8.7629 10.2107 10.2107 k = 0.0460 0.0461-0.0140 ( 1415 PWs) bands (ev): -27.4401 -27.4401 -15.2439 -15.2439 -8.7386 -8.7386 -7.2828 -7.2828 -7.2588 -7.2588 -0.8842 -0.8842 -0.8533 -0.8533 5.3837 5.3837 8.7600 8.7600 10.2262 10.2262 k = 0.0526 0.0526-0.0160 ( 1412 PWs) bands (ev): -27.4387 -27.4387 -15.2421 -15.2421 -8.7360 -8.7360 -7.2893 -7.2893 -7.2654 -7.2654 -0.8897 -0.8897 -0.8587 -0.8587 5.4063 5.4063 8.7569 8.7569 10.2439 10.2439 k = 0.0591 0.0592-0.0180 ( 1410 PWs) bands (ev): -27.4371 -27.4371 -15.2400 -15.2400 -8.7330 -8.7330 -7.2966 -7.2966 -7.2727 -7.2727 -0.8959 -0.8959 -0.8647 -0.8647 5.4318 5.4318 8.7536 8.7536 10.2639 10.2639 k = 0.0657 0.0658-0.0200 ( 1410 PWs) bands (ev): -27.4353 -27.4353 -15.2378 -15.2378 -8.7298 -8.7298 -7.3047 -7.3047 -7.2808 -7.2808 -0.9027 -0.9027 -0.8714 -0.8714 5.4600 5.4600 8.7502 8.7502 10.2861 10.2861 k = 0.0723 0.0724-0.0220 ( 1410 PWs) bands (ev): -27.4334 -27.4334 -15.2353 -15.2353 -8.7262 -8.7262 -7.3136 -7.3136 -7.2897 -7.2897 -0.9103 -0.9103 -0.8787 -0.8787 5.4910 5.4910 8.7467 8.7467 10.3105 10.3105 k = 0.0789 0.0789-0.0240 ( 1410 PWs) bands (ev): -27.4312 -27.4312 -15.2325 -15.2325 -8.7222 -8.7222 -7.3232 -7.3232 -7.2993 -7.2993 -0.9185 -0.9185 -0.8867 -0.8867 5.5246 5.5246 8.7432 8.7432 10.3370 10.3370 k = 0.0854 0.0855-0.0260 ( 1410 PWs) bands (ev): -27.4289 -27.4289 -15.2296 -15.2296 -8.7180 -8.7180 -7.3335 -7.3335 -7.3097 -7.3097 -0.9273 -0.9273 -0.8952 -0.8952 5.5608 5.5608 8.7397 8.7397 10.3656 10.3656 k = 0.0920 0.0921-0.0280 ( 1410 PWs) bands (ev): -27.4265 -27.4265 -15.2265 -15.2265 -8.7135 -8.7135 -7.3445 -7.3445 -7.3208 -7.3208 -0.9367 -0.9367 -0.9043 -0.9043 5.5995 5.5995 8.7364 8.7364 10.3963 10.3963 k = 0.0986 0.0987-0.0300 ( 1410 PWs) bands (ev): -27.4239 -27.4239 -15.2231 -15.2231 -8.7086 -8.7086 -7.3562 -7.3562 -7.3325 -7.3325 -0.9467 -0.9467 -0.9139 -0.9139 5.6405 5.6405 8.7334 8.7334 10.4289 10.4289 k = 0.1051 0.1053-0.0320 ( 1410 PWs) bands (ev): -27.4211 -27.4211 -15.2196 -15.2196 -8.7035 -8.7035 -7.3685 -7.3685 -7.3448 -7.3448 -0.9572 -0.9572 -0.9241 -0.9241 5.6839 5.6839 8.7306 8.7306 10.4635 10.4635 k = 0.1117 0.1118-0.0340 ( 1404 PWs) bands (ev): -27.4182 -27.4182 -15.2158 -15.2158 -8.6981 -8.6981 -7.3813 -7.3813 -7.3578 -7.3578 -0.9683 -0.9683 -0.9347 -0.9347 5.7294 5.7294 8.7282 8.7282 10.5001 10.5001 k = 0.1183 0.1184-0.0360 ( 1402 PWs) bands (ev): -27.4152 -27.4152 -15.2118 -15.2118 -8.6924 -8.6924 -7.3947 -7.3947 -7.3713 -7.3713 -0.9798 -0.9798 -0.9458 -0.9458 5.7769 5.7769 8.7262 8.7262 10.5385 10.5385 k = 0.1248 0.1250-0.0381 ( 1400 PWs) bands (ev): -27.4120 -27.4120 -15.2077 -15.2077 -8.6865 -8.6865 -7.4086 -7.4086 -7.3854 -7.3854 -0.9918 -0.9918 -0.9574 -0.9574 5.8265 5.8265 8.7247 8.7247 10.5787 10.5787 k = 0.1314 0.1316-0.0401 ( 1400 PWs) bands (ev): -27.4086 -27.4086 -15.2034 -15.2034 -8.6803 -8.6803 -7.4231 -7.4231 -7.4000 -7.4000 -1.0042 -1.0042 -0.9694 -0.9694 5.8779 5.8779 8.7237 8.7237 10.6206 10.6206 k = 0.1380 0.1382-0.0421 ( 1402 PWs) bands (ev): -27.4052 -27.4052 -15.1989 -15.1989 -8.6739 -8.6739 -7.4379 -7.4379 -7.4150 -7.4150 -1.0170 -1.0170 -0.9818 -0.9818 5.9310 5.9310 8.7232 8.7232 10.6642 10.6642 k = 0.1446 0.1447-0.0441 ( 1404 PWs) bands (ev): -27.4016 -27.4016 -15.1943 -15.1943 -8.6672 -8.6672 -7.4533 -7.4533 -7.4305 -7.4305 -1.0302 -1.0302 -0.9946 -0.9946 5.9858 5.9858 8.7234 8.7234 10.7095 10.7095 k = 0.1511 0.1513-0.0461 ( 1398 PWs) bands (ev): -27.3979 -27.3979 -15.1895 -15.1895 -8.6603 -8.6603 -7.4690 -7.4690 -7.4463 -7.4463 -1.0437 -1.0437 -1.0077 -1.0077 6.0420 6.0420 8.7242 8.7242 10.7562 10.7562 k = 0.1577 0.1579-0.0481 ( 1400 PWs) bands (ev): -27.3941 -27.3941 -15.1845 -15.1845 -8.6532 -8.6532 -7.4851 -7.4851 -7.4625 -7.4625 -1.0575 -1.0575 -1.0212 -1.0212 6.0996 6.0996 8.7258 8.7258 10.8044 10.8044 k = 0.1643 0.1645-0.0501 ( 1398 PWs) bands (ev): -27.3902 -27.3902 -15.1794 -15.1794 -8.6459 -8.6459 -7.5015 -7.5015 -7.4789 -7.4789 -1.0715 -1.0715 -1.0349 -1.0349 6.1584 6.1584 8.7282 8.7282 10.8538 10.8538 k = 0.1708 0.1711-0.0521 ( 1400 PWs) bands (ev): -27.3863 -27.3863 -15.1742 -15.1742 -8.6384 -8.6384 -7.5184 -7.5184 -7.4955 -7.4955 -1.0858 -1.0858 -1.0490 -1.0490 6.2183 6.2183 8.7313 8.7313 10.9045 10.9045 k = 0.1774 0.1776-0.0541 ( 1402 PWs) bands (ev): -27.3822 -27.3822 -15.1688 -15.1688 -8.6307 -8.6307 -7.5356 -7.5356 -7.5123 -7.5123 -1.1002 -1.1002 -1.0632 -1.0632 6.2791 6.2791 8.7353 8.7353 10.9561 10.9561 k = 0.1840 0.1842-0.0561 ( 1401 PWs) bands (ev): -27.3780 -27.3780 -15.1633 -15.1633 -8.6228 -8.6228 -7.5531 -7.5531 -7.5292 -7.5292 -1.1148 -1.1148 -1.0777 -1.0777 6.3408 6.3408 8.7402 8.7402 11.0086 11.0086 k = 0.1906 0.1908-0.0581 ( 1401 PWs) bands (ev): -27.3738 -27.3738 -15.1577 -15.1577 -8.6148 -8.6148 -7.5709 -7.5709 -7.5461 -7.5461 -1.1296 -1.1296 -1.0924 -1.0924 6.4031 6.4031 8.7460 8.7460 11.0618 11.0618 k = 0.1971 0.1974-0.0601 ( 1401 PWs) bands (ev): -27.3695 -27.3695 -15.1521 -15.1521 -8.6066 -8.6066 -7.5890 -7.5890 -7.5630 -7.5630 -1.1444 -1.1444 -1.1072 -1.1072 6.4660 6.4660 8.7528 8.7528 11.1155 11.1155 k = 0.2037 0.2039-0.0621 ( 1399 PWs) bands (ev): -27.3652 -27.3652 -15.1463 -15.1463 -8.5983 -8.5983 -7.6075 -7.6075 -7.5798 -7.5798 -1.1593 -1.1593 -1.1221 -1.1221 6.5292 6.5292 8.7606 8.7606 11.1693 11.1693 k = 0.2103 0.2105-0.0641 ( 1401 PWs) bands (ev): -27.3608 -27.3608 -15.1404 -15.1404 -8.5898 -8.5898 -7.6261 -7.6261 -7.5966 -7.5966 -1.1742 -1.1742 -1.1372 -1.1372 6.5927 6.5927 8.7694 8.7694 11.2232 11.2232 k = 0.2168 0.2171-0.0661 ( 1400 PWs) bands (ev): -27.3564 -27.3564 -15.1345 -15.1345 -8.5812 -8.5812 -7.6450 -7.6450 -7.6132 -7.6132 -1.1891 -1.1891 -1.1523 -1.1523 6.6562 6.6562 8.7794 8.7794 11.2767 11.2767 k = 0.2234 0.2237-0.0681 ( 1393 PWs) bands (ev): -27.3519 -27.3519 -15.1285 -15.1285 -8.5725 -8.5725 -7.6641 -7.6641 -7.6296 -7.6296 -1.2039 -1.2039 -1.1674 -1.1674 6.7197 6.7197 8.7905 8.7905 11.3296 11.3296 k = 0.2300 0.2303-0.0701 ( 1393 PWs) bands (ev): -27.3474 -27.3474 -15.1225 -15.1225 -8.5637 -8.5637 -7.6834 -7.6834 -7.6459 -7.6459 -1.2188 -1.2188 -1.1826 -1.1826 6.7828 6.7828 8.8028 8.8028 11.3814 11.3814 k = 0.2366 0.2368-0.0721 ( 1395 PWs) bands (ev): -27.3429 -27.3429 -15.1164 -15.1164 -8.5548 -8.5548 -7.7027 -7.7027 -7.6620 -7.6620 -1.2336 -1.2336 -1.1977 -1.1977 6.8456 6.8456 8.8163 8.8163 11.4319 11.4319 k = 0.2431 0.2434-0.0741 ( 1393 PWs) bands (ev): -27.3383 -27.3383 -15.1103 -15.1103 -8.5458 -8.5458 -7.7221 -7.7221 -7.6779 -7.6779 -1.2482 -1.2482 -1.2128 -1.2128 6.9077 6.9077 8.8312 8.8312 11.4807 11.4807 k = 0.2497 0.2500-0.0761 ( 1395 PWs) bands (ev): -27.3338 -27.3338 -15.1042 -15.1042 -8.5367 -8.5367 -7.7416 -7.7416 -7.6935 -7.6935 -1.2628 -1.2628 -1.2278 -1.2278 6.9691 6.9691 8.8473 8.8473 11.5273 11.5273 k = 0.2563 0.2566-0.0781 ( 1395 PWs) bands (ev): -27.3293 -27.3293 -15.0980 -15.0980 -8.5275 -8.5275 -7.7611 -7.7611 -7.7090 -7.7090 -1.2772 -1.2772 -1.2427 -1.2427 7.0296 7.0296 8.8649 8.8649 11.5714 11.5714 k = 0.2628 0.2632-0.0801 ( 1395 PWs) bands (ev): -27.3248 -27.3248 -15.0919 -15.0919 -8.5183 -8.5183 -7.7805 -7.7805 -7.7241 -7.7241 -1.2915 -1.2915 -1.2575 -1.2575 7.0889 7.0889 8.8839 8.8839 11.6125 11.6125 k = 0.2694 0.2697-0.0821 ( 1395 PWs) bands (ev): -27.3203 -27.3203 -15.0858 -15.0858 -8.5090 -8.5090 -7.7998 -7.7998 -7.7391 -7.7391 -1.3056 -1.3056 -1.2721 -1.2721 7.1470 7.1470 8.9042 8.9042 11.6504 11.6504 k = 0.2760 0.2763-0.0841 ( 1395 PWs) bands (ev): -27.3158 -27.3158 -15.0797 -15.0797 -8.4996 -8.4996 -7.8190 -7.8190 -7.7538 -7.7538 -1.3195 -1.3195 -1.2865 -1.2865 7.2036 7.2036 8.9260 8.9260 11.6847 11.6847 k = 0.2826 0.2829-0.0861 ( 1393 PWs) bands (ev): -27.3114 -27.3114 -15.0736 -15.0736 -8.4902 -8.4902 -7.8381 -7.8381 -7.7681 -7.7681 -1.3332 -1.3332 -1.3007 -1.3007 7.2587 7.2587 8.9492 8.9492 11.7151 11.7151 k = 0.2891 0.2895-0.0881 ( 1397 PWs) bands (ev): -27.3070 -27.3070 -15.0676 -15.0676 -8.4808 -8.4808 -7.8570 -7.8570 -7.7823 -7.7823 -1.3467 -1.3467 -1.3147 -1.3147 7.3119 7.3119 8.9738 8.9738 11.7415 11.7415 k = 0.2957 0.2961-0.0901 ( 1401 PWs) bands (ev): -27.3027 -27.3027 -15.0616 -15.0616 -8.4714 -8.4714 -7.8757 -7.8757 -7.7961 -7.7961 -1.3599 -1.3599 -1.3285 -1.3285 7.3633 7.3633 8.9997 8.9997 11.7638 11.7638 k = 0.3023 0.3026-0.0921 ( 1407 PWs) bands (ev): -27.2984 -27.2984 -15.0557 -15.0557 -8.4619 -8.4619 -7.8941 -7.8941 -7.8097 -7.8097 -1.3729 -1.3729 -1.3420 -1.3420 7.4127 7.4127 9.0269 9.0269 11.7822 11.7822 k = 0.3088 0.3092-0.0941 ( 1409 PWs) bands (ev): -27.2942 -27.2942 -15.0499 -15.0499 -8.4524 -8.4524 -7.9122 -7.9122 -7.8230 -7.8230 -1.3857 -1.3857 -1.3551 -1.3551 7.4600 7.4600 9.0552 9.0552 11.7967 11.7967 k = 0.3154 0.3158-0.0961 ( 1409 PWs) bands (ev): -27.2900 -27.2900 -15.0442 -15.0442 -8.4429 -8.4429 -7.9301 -7.9301 -7.8359 -7.8359 -1.3981 -1.3981 -1.3680 -1.3680 7.5050 7.5050 9.0845 9.0845 11.8077 11.8077 k = 0.3220 0.3224-0.0981 ( 1410 PWs) bands (ev): -27.2860 -27.2860 -15.0386 -15.0386 -8.4334 -8.4334 -7.9476 -7.9476 -7.8486 -7.8486 -1.4102 -1.4102 -1.3805 -1.3805 7.5478 7.5478 9.1146 9.1146 11.8158 11.8158 k = 0.3285 0.3289-0.1001 ( 1409 PWs) bands (ev): -27.2820 -27.2820 -15.0330 -15.0330 -8.4238 -8.4238 -7.9647 -7.9647 -7.8610 -7.8610 -1.4221 -1.4221 -1.3926 -1.3926 7.5884 7.5884 9.1453 9.1453 11.8214 11.8214 k = 0.3351 0.3355-0.1021 ( 1410 PWs) bands (ev): -27.2781 -27.2781 -15.0276 -15.0276 -8.4143 -8.4143 -7.9815 -7.9815 -7.8731 -7.8731 -1.4336 -1.4336 -1.4044 -1.4044 7.6265 7.6265 9.1763 9.1763 11.8253 11.8253 k = 0.3417 0.3421-0.1041 ( 1411 PWs) bands (ev): -27.2743 -27.2743 -15.0224 -15.0224 -8.4048 -8.4048 -7.9978 -7.9978 -7.8849 -7.8849 -1.4448 -1.4448 -1.4159 -1.4159 7.6624 7.6624 9.2074 9.2074 11.8283 11.8283 k = 0.3483 0.3487-0.1061 ( 1409 PWs) bands (ev): -27.2706 -27.2706 -15.0172 -15.0172 -8.3953 -8.3953 -8.0137 -8.0137 -7.8964 -7.8964 -1.4556 -1.4556 -1.4269 -1.4269 7.6960 7.6960 9.2381 9.2381 11.8311 11.8311 k = 0.3548 0.3553-0.1081 ( 1413 PWs) bands (ev): -27.2671 -27.2671 -15.0123 -15.0123 -8.3859 -8.3859 -8.0291 -8.0291 -7.9076 -7.9076 -1.4661 -1.4661 -1.4375 -1.4375 7.7273 7.7273 9.2682 9.2682 11.8345 11.8345 k = 0.3614 0.3618-0.1101 ( 1411 PWs) bands (ev): -27.2636 -27.2636 -15.0074 -15.0074 -8.3764 -8.3764 -8.0441 -8.0441 -7.9186 -7.9186 -1.4763 -1.4763 -1.4478 -1.4478 7.7565 7.7565 9.2973 9.2973 11.8395 11.8395 k = 0.3680 0.3684-0.1121 ( 1413 PWs) bands (ev): -27.2603 -27.2603 -15.0028 -15.0028 -8.3671 -8.3671 -8.0585 -8.0585 -7.9292 -7.9292 -1.4860 -1.4860 -1.4576 -1.4576 7.7835 7.7835 9.3251 9.3251 11.8468 11.8468 k = 0.3745 0.3750-0.1142 ( 1411 PWs) bands (ev): -27.2571 -27.2571 -14.9983 -14.9983 -8.3577 -8.3577 -8.0724 -8.0724 -7.9396 -7.9396 -1.4954 -1.4954 -1.4670 -1.4670 7.8086 7.8086 9.3513 9.3513 11.8572 11.8572 k = 0.3811 0.3816-0.1162 ( 1411 PWs) bands (ev): -27.2540 -27.2540 -14.9941 -14.9941 -8.3484 -8.3484 -8.0857 -8.0857 -7.9497 -7.9497 -1.5044 -1.5044 -1.4759 -1.4759 7.8318 7.8318 9.3757 9.3757 11.8714 11.8714 k = 0.3877 0.3882-0.1182 ( 1413 PWs) bands (ev): -27.2510 -27.2510 -14.9900 -14.9900 -8.3392 -8.3392 -8.0985 -8.0985 -7.9595 -7.9595 -1.5130 -1.5130 -1.4845 -1.4845 7.8531 7.8531 9.3978 9.3978 11.8898 11.8898 k = 0.3943 0.3947-0.1202 ( 1413 PWs) bands (ev): -27.2482 -27.2482 -14.9861 -14.9861 -8.3300 -8.3300 -8.1106 -8.1106 -7.9690 -7.9690 -1.5212 -1.5212 -1.4925 -1.4925 7.8726 7.8726 9.4177 9.4177 11.9130 11.9130 k = 0.4008 0.4013-0.1222 ( 1409 PWs) bands (ev): -27.2456 -27.2456 -14.9825 -14.9825 -8.3209 -8.3209 -8.1221 -8.1221 -7.9782 -7.9782 -1.5290 -1.5290 -1.5001 -1.5001 7.8906 7.8906 9.4352 9.4352 11.9413 11.9413 k = 0.4074 0.4079-0.1242 ( 1409 PWs) bands (ev): -27.2431 -27.2431 -14.9791 -14.9791 -8.3119 -8.3119 -8.1331 -8.1331 -7.9872 -7.9872 -1.5364 -1.5364 -1.5072 -1.5072 7.9070 7.9070 9.4502 9.4502 11.9751 11.9751 k = 0.4140 0.4145-0.1262 ( 1409 PWs) bands (ev): -27.2407 -27.2407 -14.9759 -14.9759 -8.3031 -8.3031 -8.1433 -8.1433 -7.9959 -7.9959 -1.5434 -1.5434 -1.5138 -1.5138 7.9220 7.9220 9.4627 9.4627 12.0143 12.0143 k = 0.4205 0.4211-0.1282 ( 1411 PWs) bands (ev): -27.2385 -27.2385 -14.9730 -14.9730 -8.2943 -8.2943 -8.1529 -8.1529 -8.0043 -8.0043 -1.5501 -1.5501 -1.5199 -1.5199 7.9356 7.9356 9.4729 9.4729 12.0590 12.0590 k = 0.4271 0.4276-0.1302 ( 1413 PWs) bands (ev): -27.2365 -27.2365 -14.9704 -14.9704 -8.2856 -8.2856 -8.1618 -8.1618 -8.0124 -8.0124 -1.5564 -1.5564 -1.5254 -1.5254 7.9479 7.9479 9.4808 9.4808 12.1092 12.1092 k = 0.4337 0.4342-0.1322 ( 1415 PWs) bands (ev): -27.2346 -27.2346 -14.9679 -14.9679 -8.2771 -8.2771 -8.1700 -8.1700 -8.0202 -8.0202 -1.5623 -1.5623 -1.5303 -1.5303 7.9591 7.9591 9.4867 9.4867 12.1647 12.1647 k = 0.4403 0.4408-0.1342 ( 1413 PWs) bands (ev): -27.2329 -27.2329 -14.9658 -14.9658 -8.2688 -8.2688 -8.1774 -8.1774 -8.0277 -8.0277 -1.5679 -1.5679 -1.5347 -1.5347 7.9691 7.9691 9.4908 9.4908 12.2254 12.2254 k = 0.4468 0.4474-0.1362 ( 1415 PWs) bands (ev): -27.2313 -27.2313 -14.9640 -14.9640 -8.2607 -8.2607 -8.1841 -8.1841 -8.0349 -8.0349 -1.5732 -1.5732 -1.5385 -1.5385 7.9781 7.9781 9.4933 9.4933 12.2908 12.2908 k = 0.4534 0.4539-0.1382 ( 1417 PWs) bands (ev): -27.2300 -27.2300 -14.9624 -14.9624 -8.2529 -8.2529 -8.1900 -8.1900 -8.0417 -8.0417 -1.5782 -1.5782 -1.5416 -1.5416 7.9860 7.9860 9.4945 9.4945 12.3607 12.3607 k = 0.4600 0.4605-0.1402 ( 1415 PWs) bands (ev): -27.2288 -27.2288 -14.9611 -14.9611 -8.2455 -8.2455 -8.1950 -8.1950 -8.0481 -8.0481 -1.5828 -1.5828 -1.5441 -1.5441 7.9930 7.9930 9.4945 9.4945 12.4348 12.4348 k = 0.4665 0.4671-0.1422 ( 1413 PWs) bands (ev): -27.2277 -27.2277 -14.9601 -14.9601 -8.2385 -8.2385 -8.1991 -8.1991 -8.0541 -8.0541 -1.5872 -1.5872 -1.5460 -1.5460 7.9989 7.9989 9.4937 9.4937 12.4546 12.4546 k = 0.4731 0.4737-0.1442 ( 1414 PWs) bands (ev): -27.2269 -27.2269 -14.9594 -14.9594 -8.2323 -8.2323 -8.2020 -8.2020 -8.0597 -8.0597 -1.5912 -1.5912 -1.5473 -1.5473 8.0040 8.0040 9.4922 9.4922 12.4379 12.4379 k = 0.4797 0.4803-0.1462 ( 1414 PWs) bands (ev): -27.2262 -27.2262 -14.9590 -14.9590 -8.2271 -8.2271 -8.2035 -8.2035 -8.0647 -8.0647 -1.5949 -1.5949 -1.5479 -1.5479 8.0080 8.0080 9.4903 9.4903 12.4227 12.4228 k = 0.4863 0.4868-0.1482 ( 1418 PWs) bands (ev): -27.2257 -27.2257 -14.9590 -14.9590 -8.2235 -8.2235 -8.2032 -8.2032 -8.0691 -8.0691 -1.5983 -1.5983 -1.5478 -1.5478 8.0110 8.0110 9.4881 9.4881 12.4091 12.4091 k = 0.4928 0.4934-0.1502 ( 1416 PWs) bands (ev): -27.2254 -27.2254 -14.9592 -14.9592 -8.2215 -8.2215 -8.2010 -8.2010 -8.0728 -8.0728 -1.6013 -1.6013 -1.5471 -1.5471 8.0129 8.0129 9.4858 9.4858 12.3971 12.3971 k = 0.4994 0.5000-0.1522 ( 1416 PWs) bands (ev): -27.2252 -27.2252 -14.9598 -14.9598 -8.2204 -8.2204 -8.1977 -8.1977 -8.0758 -8.0758 -1.6040 -1.6040 -1.5458 -1.5458 8.0138 8.0138 9.4835 9.4835 12.3866 12.3867 k = 0.4994 0.5000-0.1522 ( 1416 PWs) bands (ev): -27.2252 -27.2252 -14.9598 -14.9598 -8.2204 -8.2204 -8.1977 -8.1977 -8.0758 -8.0758 -1.6040 -1.6040 -1.5458 -1.5458 8.0138 8.0138 9.4835 9.4835 12.3866 12.3866 k = 0.5020 0.5026-0.1435 ( 1413 PWs) bands (ev): -27.2252 -27.2252 -14.9606 -14.9606 -8.2190 -8.2190 -8.1972 -8.1972 -8.0755 -8.0755 -1.5980 -1.5980 -1.5532 -1.5532 8.0056 8.0056 9.4993 9.4993 12.4285 12.4286 k = 0.5047 0.5053-0.1349 ( 1411 PWs) bands (ev): -27.2252 -27.2252 -14.9614 -14.9614 -8.2176 -8.2176 -8.1965 -8.1965 -8.0752 -8.0752 -1.5929 -1.5929 -1.5594 -1.5594 7.9988 7.9988 9.5116 9.5116 12.4721 12.4721 k = 0.5073 0.5079-0.1262 ( 1410 PWs) bands (ev): -27.2252 -27.2252 -14.9624 -14.9624 -8.2165 -8.2165 -8.1955 -8.1955 -8.0747 -8.0747 -1.5904 -1.5904 -1.5629 -1.5629 7.9935 7.9935 9.5201 9.5201 12.5164 12.5178 k = 0.5099 0.5105-0.1176 ( 1412 PWs) bands (ev): -27.2253 -27.2253 -14.9633 -14.9633 -8.2156 -8.2156 -8.1943 -8.1943 -8.0741 -8.0741 -1.5921 -1.5921 -1.5620 -1.5620 7.9898 7.9898 9.5248 9.5248 12.4319 12.4319 k = 0.5125 0.5132-0.1089 ( 1412 PWs) bands (ev): -27.2253 -27.2253 -14.9643 -14.9643 -8.2151 -8.2151 -8.1927 -8.1927 -8.0734 -8.0734 -1.5971 -1.5971 -1.5576 -1.5576 7.9876 7.9876 9.5255 9.5255 12.3516 12.3516 k = 0.5152 0.5158-0.1003 ( 1410 PWs) bands (ev): -27.2254 -27.2254 -14.9653 -14.9653 -8.2150 -8.2150 -8.1909 -8.1909 -8.0725 -8.0725 -1.6036 -1.6036 -1.5515 -1.5515 7.9870 7.9870 9.5223 9.5223 12.2765 12.2765 k = 0.5178 0.5184-0.0916 ( 1414 PWs) bands (ev): -27.2256 -27.2256 -14.9663 -14.9663 -8.2154 -8.2154 -8.1888 -8.1888 -8.0714 -8.0714 -1.6105 -1.6105 -1.5447 -1.5447 7.9880 7.9880 9.5150 9.5150 12.2071 12.2071 k = 0.5204 0.5211-0.0830 ( 1416 PWs) bands (ev): -27.2258 -27.2258 -14.9674 -14.9674 -8.2162 -8.2162 -8.1864 -8.1864 -8.0700 -8.0700 -1.6175 -1.6175 -1.5377 -1.5377 7.9906 7.9906 9.5037 9.5037 12.1437 12.1437 k = 0.5231 0.5237-0.0743 ( 1416 PWs) bands (ev): -27.2260 -27.2260 -14.9684 -14.9684 -8.2175 -8.2175 -8.1839 -8.1839 -8.0684 -8.0684 -1.6242 -1.6242 -1.5306 -1.5306 7.9949 7.9949 9.4884 9.4884 12.0866 12.0866 k = 0.5257 0.5263-0.0657 ( 1418 PWs) bands (ev): -27.2262 -27.2262 -14.9693 -14.9693 -8.2192 -8.2192 -8.1811 -8.1811 -8.0666 -8.0666 -1.6307 -1.6307 -1.5235 -1.5235 8.0009 8.0009 9.4694 9.4694 12.0360 12.0360 k = 0.5283 0.5290-0.0570 ( 1414 PWs) bands (ev): -27.2265 -27.2265 -14.9703 -14.9703 -8.2214 -8.2214 -8.1783 -8.1783 -8.0644 -8.0644 -1.6369 -1.6369 -1.5166 -1.5166 8.0085 8.0085 9.4466 9.4466 11.9921 11.9921 k = 0.5310 0.5316-0.0484 ( 1414 PWs) bands (ev): -27.2268 -27.2268 -14.9712 -14.9712 -8.2240 -8.2240 -8.1753 -8.1753 -8.0621 -8.0621 -1.6425 -1.6425 -1.5099 -1.5099 8.0178 8.0178 9.4204 9.4204 11.9550 11.9550 k = 0.5336 0.5342-0.0397 ( 1416 PWs) bands (ev): -27.2271 -27.2271 -14.9721 -14.9721 -8.2271 -8.2271 -8.1723 -8.1723 -8.0594 -8.0594 -1.6477 -1.6477 -1.5035 -1.5035 8.0287 8.0287 9.3910 9.3910 11.9247 11.9247 k = 0.5362 0.5369-0.0311 ( 1414 PWs) bands (ev): -27.2275 -27.2275 -14.9729 -14.9729 -8.2305 -8.2305 -8.1693 -8.1693 -8.0565 -8.0565 -1.6524 -1.6524 -1.4973 -1.4973 8.0412 8.0412 9.3586 9.3586 11.9012 11.9012 k = 0.5389 0.5395-0.0224 ( 1411 PWs) bands (ev): -27.2279 -27.2279 -14.9737 -14.9737 -8.2343 -8.2343 -8.1662 -8.1662 -8.0534 -8.0534 -1.6564 -1.6564 -1.4914 -1.4914 8.0553 8.0553 9.3237 9.3237 11.8846 11.8846 k = 0.5415 0.5421-0.0138 ( 1416 PWs) bands (ev): -27.2283 -27.2283 -14.9744 -14.9744 -8.2384 -8.2384 -8.1632 -8.1632 -8.0501 -8.0501 -1.6599 -1.6599 -1.4859 -1.4859 8.0708 8.0708 9.2865 9.2865 11.8746 11.8746 k = 0.5441 0.5448-0.0051 ( 1416 PWs) bands (ev): -27.2288 -27.2288 -14.9750 -14.9750 -8.2428 -8.2428 -8.1601 -8.1601 -8.0466 -8.0466 -1.6627 -1.6627 -1.4808 -1.4808 8.0877 8.0877 9.2475 9.2475 11.8711 11.8711 k = 0.5467 0.5474 0.0035 ( 1414 PWs) bands (ev): -27.2293 -27.2293 -14.9756 -14.9756 -8.2475 -8.2475 -8.1571 -8.1571 -8.0429 -8.0429 -1.6648 -1.6648 -1.4761 -1.4761 8.1059 8.1059 9.2073 9.2073 11.8740 11.8740 k = 0.5494 0.5500 0.0122 ( 1414 PWs) bands (ev): -27.2298 -27.2298 -14.9762 -14.9762 -8.2525 -8.2525 -8.1541 -8.1541 -8.0391 -8.0391 -1.6663 -1.6663 -1.4719 -1.4719 8.1251 8.1251 9.1663 9.1663 11.8828 11.8828 k = 0.5520 0.5527 0.0208 ( 1414 PWs) bands (ev): -27.2304 -27.2304 -14.9766 -14.9766 -8.2576 -8.2576 -8.1511 -8.1511 -8.0351 -8.0351 -1.6670 -1.6670 -1.4681 -1.4681 8.1450 8.1450 9.1251 9.1251 11.8975 11.8975 k = 0.5546 0.5553 0.0295 ( 1416 PWs) bands (ev): -27.2310 -27.2310 -14.9771 -14.9771 -8.2629 -8.2629 -8.1482 -8.1482 -8.0311 -8.0311 -1.6671 -1.6671 -1.4648 -1.4648 8.1654 8.1654 9.0843 9.0843 11.9175 11.9175 k = 0.5573 0.5579 0.0382 ( 1416 PWs) bands (ev): -27.2316 -27.2316 -14.9774 -14.9774 -8.2683 -8.2683 -8.1454 -8.1454 -8.0270 -8.0270 -1.6664 -1.6664 -1.4620 -1.4620 8.1857 8.1857 9.0448 9.0448 11.9425 11.9425 k = 0.5599 0.5606 0.0468 ( 1416 PWs) bands (ev): -27.2323 -27.2323 -14.9777 -14.9777 -8.2738 -8.2738 -8.1426 -8.1426 -8.0229 -8.0229 -1.6649 -1.6649 -1.4596 -1.4596 8.2053 8.2053 9.0073 9.0073 11.9721 11.9721 k = 0.5625 0.5632 0.0555 ( 1416 PWs) bands (ev): -27.2330 -27.2330 -14.9780 -14.9780 -8.2794 -8.2794 -8.1399 -8.1399 -8.0188 -8.0188 -1.6627 -1.6627 -1.4578 -1.4578 8.2236 8.2236 8.9730 8.9730 12.0057 12.0057 k = 0.5625 0.5632 0.0555 ( 1416 PWs) bands (ev): -27.2330 -27.2330 -14.9780 -14.9780 -8.2794 -8.2794 -8.1399 -8.1399 -8.0188 -8.0188 -1.6627 -1.6627 -1.4578 -1.4578 8.2236 8.2236 8.9730 8.9730 12.0057 12.0057 k = 0.5591 0.5598 0.0637 ( 1416 PWs) bands (ev): -27.2321 -27.2321 -14.9763 -14.9763 -8.2775 -8.2775 -8.1434 -8.1434 -8.0223 -8.0223 -1.6657 -1.6657 -1.4588 -1.4588 8.2354 8.2354 8.9651 8.9651 12.0297 12.0297 k = 0.5557 0.5564 0.0719 ( 1416 PWs) bands (ev): -27.2314 -27.2314 -14.9747 -14.9747 -8.2753 -8.2753 -8.1469 -8.1469 -8.0257 -8.0257 -1.6678 -1.6678 -1.4603 -1.4603 8.2408 8.2408 8.9659 8.9659 12.0526 12.0526 k = 0.5523 0.5530 0.0801 ( 1416 PWs) bands (ev): -27.2306 -27.2306 -14.9732 -14.9732 -8.2730 -8.2730 -8.1503 -8.1503 -8.0290 -8.0290 -1.6693 -1.6693 -1.4623 -1.4623 8.2399 8.2399 8.9754 8.9754 12.0746 12.0746 k = 0.5489 0.5495 0.0884 ( 1416 PWs) bands (ev): -27.2299 -27.2299 -14.9719 -14.9719 -8.2704 -8.2704 -8.1538 -8.1538 -8.0323 -8.0323 -1.6700 -1.6700 -1.4648 -1.4648 8.2333 8.2333 8.9929 8.9929 12.0962 12.0962 k = 0.5455 0.5461 0.0966 ( 1414 PWs) bands (ev): -27.2293 -27.2293 -14.9706 -14.9706 -8.2676 -8.2676 -8.1572 -8.1572 -8.0356 -8.0356 -1.6699 -1.6699 -1.4679 -1.4679 8.2218 8.2218 9.0173 9.0173 12.1178 12.1178 k = 0.5421 0.5427 0.1048 ( 1417 PWs) bands (ev): -27.2287 -27.2287 -14.9694 -14.9694 -8.2646 -8.2646 -8.1605 -8.1605 -8.0387 -8.0387 -1.6691 -1.6691 -1.4714 -1.4714 8.2067 8.2067 9.0475 9.0475 12.1397 12.1397 k = 0.5386 0.5393 0.1130 ( 1417 PWs) bands (ev): -27.2281 -27.2281 -14.9683 -14.9683 -8.2615 -8.2615 -8.1638 -8.1638 -8.0419 -8.0419 -1.6676 -1.6676 -1.4755 -1.4755 8.1889 8.1889 9.0821 9.0821 12.1620 12.1620 k = 0.5352 0.5359 0.1213 ( 1417 PWs) bands (ev): -27.2276 -27.2276 -14.9674 -14.9674 -8.2582 -8.2582 -8.1671 -8.1671 -8.0449 -8.0449 -1.6654 -1.6654 -1.4800 -1.4800 8.1695 8.1695 9.1201 9.1201 12.1849 12.1849 k = 0.5318 0.5325 0.1295 ( 1417 PWs) bands (ev): -27.2271 -27.2271 -14.9665 -14.9665 -8.2547 -8.2547 -8.1703 -8.1703 -8.0478 -8.0478 -1.6625 -1.6625 -1.4850 -1.4850 8.1494 8.1494 9.1601 9.1601 12.2086 12.2086 k = 0.5284 0.5290 0.1377 ( 1419 PWs) bands (ev): -27.2267 -27.2267 -14.9657 -14.9657 -8.2512 -8.2512 -8.1734 -8.1734 -8.0507 -8.0507 -1.6590 -1.6590 -1.4904 -1.4904 8.1291 8.1291 9.2014 9.2014 12.2330 12.2330 k = 0.5250 0.5256 0.1460 ( 1419 PWs) bands (ev): -27.2264 -27.2264 -14.9650 -14.9650 -8.2476 -8.2476 -8.1764 -8.1764 -8.0535 -8.0535 -1.6548 -1.6548 -1.4962 -1.4962 8.1092 8.1092 9.2431 9.2431 12.2582 12.2582 k = 0.5216 0.5222 0.1542 ( 1419 PWs) bands (ev): -27.2260 -27.2260 -14.9644 -14.9644 -8.2439 -8.2439 -8.1793 -8.1793 -8.0562 -8.0562 -1.6501 -1.6501 -1.5024 -1.5024 8.0901 8.0901 9.2842 9.2842 12.2839 12.2839 k = 0.5182 0.5188 0.1624 ( 1417 PWs) bands (ev): -27.2257 -27.2257 -14.9639 -14.9639 -8.2402 -8.2402 -8.1821 -8.1821 -8.0587 -8.0587 -1.6448 -1.6448 -1.5089 -1.5089 8.0722 8.0722 9.3242 9.3242 12.3098 12.3098 k = 0.5148 0.5154 0.1706 ( 1417 PWs) bands (ev): -27.2255 -27.2255 -14.9635 -14.9635 -8.2365 -8.2365 -8.1847 -8.1847 -8.0611 -8.0611 -1.6390 -1.6390 -1.5157 -1.5157 8.0556 8.0556 9.3622 9.3622 12.3354 12.3354 k = 0.5113 0.5120 0.1789 ( 1419 PWs) bands (ev): -27.2253 -27.2253 -14.9632 -14.9632 -8.2328 -8.2328 -8.1871 -8.1871 -8.0635 -8.0635 -1.6327 -1.6327 -1.5227 -1.5227 8.0407 8.0407 9.3976 9.3976 12.3601 12.3601 k = 0.5079 0.5085 0.1871 ( 1419 PWs) bands (ev): -27.2252 -27.2252 -14.9630 -14.9630 -8.2292 -8.2292 -8.1894 -8.1894 -8.0656 -8.0656 -1.6260 -1.6260 -1.5298 -1.5298 8.0275 8.0275 9.4298 9.4298 12.3830 12.3830 k = 0.5045 0.5051 0.1953 ( 1417 PWs) bands (ev): -27.2251 -27.2251 -14.9629 -14.9629 -8.2258 -8.2258 -8.1913 -8.1913 -8.0676 -8.0676 -1.6190 -1.6190 -1.5370 -1.5370 8.0162 8.0162 9.4582 9.4582 12.4031 12.4031 k = 0.5011 0.5017 0.2035 ( 1415 PWs) bands (ev): -27.2251 -27.2251 -14.9628 -14.9628 -8.2227 -8.2227 -8.1929 -8.1929 -8.0695 -8.0695 -1.6118 -1.6118 -1.5442 -1.5442 8.0068 8.0068 9.4822 9.4822 12.4194 12.4194 k = 0.4977 0.4983 0.2118 ( 1414 PWs) bands (ev): -27.2251 -27.2251 -14.9628 -14.9628 -8.2199 -8.2199 -8.1940 -8.1940 -8.0712 -8.0712 -1.6045 -1.6045 -1.5511 -1.5511 7.9993 7.9993 9.5014 9.5014 12.4311 12.4311 k = 0.4943 0.4949 0.2200 ( 1412 PWs) bands (ev): -27.2251 -27.2251 -14.9630 -14.9630 -8.2176 -8.2176 -8.1946 -8.1946 -8.0727 -8.0727 -1.5977 -1.5977 -1.5573 -1.5573 7.9939 7.9939 9.5153 9.5153 12.4381 12.4381 k = 0.4909 0.4915 0.2282 ( 1412 PWs) bands (ev): -27.2252 -27.2252 -14.9632 -14.9632 -8.2159 -8.2159 -8.1945 -8.1945 -8.0740 -8.0740 -1.5922 -1.5922 -1.5619 -1.5619 7.9904 7.9904 9.5237 9.5237 12.4407 12.4407 k = 0.4874 0.4880 0.2365 ( 1412 PWs) bands (ev): -27.2254 -27.2254 -14.9635 -14.9635 -8.2149 -8.2149 -8.1937 -8.1937 -8.0752 -8.0752 -1.5902 -1.5902 -1.5628 -1.5628 7.9889 7.9889 9.5265 9.5265 12.4401 12.4401 k = 0.4840 0.4846 0.2447 ( 1410 PWs) bands (ev): -27.2256 -27.2256 -14.9639 -14.9639 -8.2144 -8.2144 -8.1923 -8.1923 -8.0760 -8.0760 -1.5926 -1.5926 -1.5589 -1.5589 7.9893 7.9893 9.5235 9.5235 12.4374 12.4374 k = 0.4806 0.4812 0.2529 ( 1410 PWs) bands (ev): -27.2258 -27.2258 -14.9643 -14.9643 -8.2142 -8.2142 -8.1906 -8.1906 -8.0767 -8.0767 -1.5976 -1.5976 -1.5522 -1.5522 7.9915 7.9915 9.5150 9.5150 12.4335 12.4335 k = 0.4772 0.4778 0.2611 ( 1410 PWs) bands (ev): -27.2261 -27.2261 -14.9649 -14.9649 -8.2143 -8.2143 -8.1887 -8.1887 -8.0771 -8.0771 -1.6036 -1.6036 -1.5442 -1.5442 7.9955 7.9955 9.5013 9.5013 12.4048 12.4048 k = 0.4738 0.4744 0.2694 ( 1411 PWs) bands (ev): -27.2265 -27.2265 -14.9655 -14.9655 -8.2144 -8.2144 -8.1868 -8.1868 -8.0772 -8.0772 -1.6098 -1.6098 -1.5356 -1.5356 8.0010 8.0010 9.4826 9.4826 12.3690 12.3690 k = 0.4704 0.4710 0.2776 ( 1409 PWs) bands (ev): -27.2269 -27.2269 -14.9662 -14.9662 -8.2144 -8.2144 -8.1850 -8.1850 -8.0770 -8.0770 -1.6159 -1.6159 -1.5269 -1.5269 8.0081 8.0081 9.4595 9.4595 12.3351 12.3351 k = 0.4670 0.4675 0.2858 ( 1408 PWs) bands (ev): -27.2273 -27.2273 -14.9670 -14.9670 -8.2143 -8.2143 -8.1835 -8.1835 -8.0765 -8.0765 -1.6217 -1.6217 -1.5180 -1.5180 8.0164 8.0164 9.4326 9.4326 12.3031 12.3031 k = 0.4636 0.4641 0.2940 ( 1406 PWs) bands (ev): -27.2278 -27.2278 -14.9679 -14.9679 -8.2141 -8.2141 -8.1822 -8.1822 -8.0756 -8.0756 -1.6273 -1.6273 -1.5092 -1.5092 8.0258 8.0258 9.4027 9.4027 12.2733 12.2733 k = 0.4601 0.4607 0.3023 ( 1402 PWs) bands (ev): -27.2283 -27.2283 -14.9688 -14.9688 -8.2136 -8.2136 -8.1812 -8.1812 -8.0744 -8.0744 -1.6324 -1.6324 -1.5005 -1.5005 8.0360 8.0360 9.3705 9.3705 12.2457 12.2457 k = 0.4567 0.4573 0.3105 ( 1401 PWs) bands (ev): -27.2289 -27.2289 -14.9699 -14.9699 -8.2129 -8.2129 -8.1806 -8.1806 -8.0729 -8.0729 -1.6370 -1.6370 -1.4919 -1.4919 8.0465 8.0465 9.3367 9.3367 12.2204 12.2204 k = 0.4533 0.4539 0.3187 ( 1405 PWs) bands (ev): -27.2296 -27.2296 -14.9710 -14.9710 -8.2120 -8.2120 -8.1804 -8.1804 -8.0711 -8.0711 -1.6412 -1.6412 -1.4836 -1.4836 8.0571 8.0571 9.3023 9.3023 12.1974 12.1974 k = 0.4499 0.4505 0.3270 ( 1403 PWs) bands (ev): -27.2302 -27.2302 -14.9721 -14.9721 -8.2108 -8.2108 -8.1805 -8.1805 -8.0689 -8.0689 -1.6448 -1.6448 -1.4755 -1.4755 8.0674 8.0674 9.2682 9.2682 12.1769 12.1769 k = 0.4465 0.4470 0.3352 ( 1405 PWs) bands (ev): -27.2310 -27.2310 -14.9733 -14.9733 -8.2095 -8.2095 -8.1810 -8.1810 -8.0663 -8.0663 -1.6478 -1.6478 -1.4676 -1.4676 8.0767 8.0767 9.2353 9.2353 12.1589 12.1589 k = 0.4431 0.4436 0.3434 ( 1407 PWs) bands (ev): -27.2317 -27.2317 -14.9746 -14.9746 -8.2079 -8.2079 -8.1818 -8.1818 -8.0634 -8.0634 -1.6502 -1.6502 -1.4601 -1.4601 8.0846 8.0846 9.2045 9.2045 12.1434 12.1434 k = 0.4397 0.4402 0.3516 ( 1404 PWs) bands (ev): -27.2325 -27.2325 -14.9760 -14.9760 -8.2063 -8.2063 -8.1829 -8.1829 -8.0603 -8.0603 -1.6519 -1.6519 -1.4529 -1.4529 8.0905 8.0905 9.1768 9.1768 12.1305 12.1305 k = 0.4363 0.4368 0.3599 ( 1410 PWs) bands (ev): -27.2334 -27.2334 -14.9774 -14.9774 -8.2047 -8.2047 -8.1840 -8.1840 -8.0569 -8.0569 -1.6530 -1.6530 -1.4462 -1.4462 8.0938 8.0938 9.1531 9.1531 12.1203 12.1203 k = 0.4363 0.4368 0.3599 ( 1410 PWs) bands (ev): -27.2334 -27.2334 -14.9774 -14.9774 -8.2047 -8.2047 -8.1840 -8.1840 -8.0569 -8.0569 -1.6530 -1.6530 -1.4462 -1.4462 8.0938 8.0938 9.1531 9.1531 12.1203 12.1203 k = 0.4295 0.4301 0.3599 ( 1413 PWs) bands (ev): -27.2352 -27.2352 -14.9816 -14.9816 -8.2010 -8.2010 -8.1830 -8.1830 -8.0496 -8.0496 -1.6491 -1.6491 -1.4404 -1.4404 8.0649 8.0649 9.1647 9.1647 12.1353 12.1353 k = 0.4228 0.4233 0.3599 ( 1413 PWs) bands (ev): -27.2371 -27.2371 -14.9862 -14.9862 -8.2003 -8.2003 -8.1784 -8.1784 -8.0419 -8.0419 -1.6447 -1.6447 -1.4341 -1.4341 8.0327 8.0327 9.1772 9.1772 12.1505 12.1505 k = 0.4161 0.4166 0.3599 ( 1415 PWs) bands (ev): -27.2392 -27.2392 -14.9911 -14.9911 -8.2018 -8.2018 -8.1710 -8.1710 -8.0339 -8.0339 -1.6398 -1.6398 -1.4272 -1.4272 7.9974 7.9974 9.1902 9.1902 12.0728 12.0728 k = 0.4094 0.4099 0.3599 ( 1411 PWs) bands (ev): -27.2414 -27.2414 -14.9964 -14.9964 -8.2042 -8.2042 -8.1620 -8.1620 -8.0255 -8.0255 -1.6343 -1.6343 -1.4198 -1.4198 7.9591 7.9591 9.2035 9.2035 11.9895 11.9895 k = 0.4027 0.4032 0.3599 ( 1414 PWs) bands (ev): -27.2439 -27.2439 -15.0020 -15.0020 -8.2069 -8.2069 -8.1519 -8.1519 -8.0167 -8.0167 -1.6284 -1.6284 -1.4119 -1.4119 7.9177 7.9177 9.2166 9.2166 11.9095 11.9095 k = 0.3960 0.3965 0.3599 ( 1414 PWs) bands (ev): -27.2464 -27.2464 -15.0079 -15.0079 -8.2098 -8.2098 -8.1409 -8.1409 -8.0077 -8.0077 -1.6220 -1.6220 -1.4036 -1.4036 7.8736 7.8736 9.2292 9.2292 11.8329 11.8329 k = 0.3893 0.3897 0.3599 ( 1412 PWs) bands (ev): -27.2491 -27.2491 -15.0141 -15.0141 -8.2128 -8.2128 -8.1291 -8.1291 -7.9983 -7.9983 -1.6150 -1.6150 -1.3947 -1.3947 7.8267 7.8267 9.2407 9.2407 11.7594 11.7594 k = 0.3826 0.3830 0.3599 ( 1410 PWs) bands (ev): -27.2520 -27.2520 -15.0207 -15.0207 -8.2157 -8.2157 -8.1167 -8.1167 -7.9886 -7.9886 -1.6075 -1.6075 -1.3853 -1.3853 7.7772 7.7772 9.2508 9.2508 11.6892 11.6892 k = 0.3759 0.3763 0.3599 ( 1410 PWs) bands (ev): -27.2550 -27.2550 -15.0275 -15.0275 -8.2186 -8.2186 -8.1036 -8.1036 -7.9786 -7.9786 -1.5995 -1.5995 -1.3755 -1.3755 7.7253 7.7253 9.2590 9.2590 11.6220 11.6220 k = 0.3691 0.3696 0.3599 ( 1412 PWs) bands (ev): -27.2581 -27.2581 -15.0346 -15.0346 -8.2214 -8.2214 -8.0898 -8.0898 -7.9683 -7.9683 -1.5909 -1.5909 -1.3653 -1.3653 7.6711 7.6711 9.2648 9.2648 11.5577 11.5577 k = 0.3624 0.3629 0.3599 ( 1412 PWs) bands (ev): -27.2613 -27.2613 -15.0420 -15.0420 -8.2242 -8.2242 -8.0755 -8.0755 -7.9577 -7.9577 -1.5818 -1.5818 -1.3546 -1.3546 7.6147 7.6147 9.2678 9.2678 11.4963 11.4963 k = 0.3557 0.3562 0.3599 ( 1408 PWs) bands (ev): -27.2647 -27.2647 -15.0496 -15.0496 -8.2269 -8.2269 -8.0606 -8.0606 -7.9468 -7.9468 -1.5722 -1.5722 -1.3435 -1.3435 7.5564 7.5564 9.2675 9.2675 11.4377 11.4377 k = 0.3490 0.3494 0.3599 ( 1406 PWs) bands (ev): -27.2682 -27.2682 -15.0575 -15.0575 -8.2295 -8.2295 -8.0451 -8.0451 -7.9356 -7.9356 -1.5619 -1.5619 -1.3321 -1.3321 7.4962 7.4962 9.2635 9.2635 11.3817 11.3817 k = 0.3423 0.3427 0.3599 ( 1406 PWs) bands (ev): -27.2718 -27.2718 -15.0656 -15.0656 -8.2320 -8.2320 -8.0292 -8.0292 -7.9241 -7.9241 -1.5511 -1.5511 -1.3202 -1.3202 7.4344 7.4344 9.2553 9.2553 11.3282 11.3282 k = 0.3356 0.3360 0.3599 ( 1408 PWs) bands (ev): -27.2755 -27.2755 -15.0740 -15.0740 -8.2344 -8.2344 -8.0127 -8.0127 -7.9122 -7.9122 -1.5398 -1.5398 -1.3081 -1.3081 7.3710 7.3710 9.2428 9.2428 11.2771 11.2771 k = 0.3289 0.3293 0.3599 ( 1408 PWs) bands (ev): -27.2793 -27.2793 -15.0825 -15.0825 -8.2368 -8.2368 -7.9958 -7.9958 -7.9000 -7.9000 -1.5279 -1.5279 -1.2956 -1.2956 7.3063 7.3063 9.2254 9.2254 11.2283 11.2283 k = 0.3222 0.3226 0.3599 ( 1406 PWs) bands (ev): -27.2832 -27.2832 -15.0913 -15.0913 -8.2390 -8.2390 -7.9784 -7.9784 -7.8874 -7.8874 -1.5154 -1.5154 -1.2827 -1.2827 7.2404 7.2404 9.2032 9.2032 11.1817 11.1817 k = 0.3154 0.3158 0.3599 ( 1406 PWs) bands (ev): -27.2872 -27.2872 -15.1002 -15.1002 -8.2412 -8.2412 -7.9607 -7.9607 -7.8746 -7.8746 -1.5023 -1.5023 -1.2696 -1.2696 7.1735 7.1735 9.1757 9.1757 11.1373 11.1373 k = 0.3087 0.3091 0.3599 ( 1406 PWs) bands (ev): -27.2913 -27.2913 -15.1092 -15.1092 -8.2432 -8.2432 -7.9425 -7.9425 -7.8614 -7.8614 -1.4887 -1.4887 -1.2563 -1.2563 7.1057 7.1057 9.1431 9.1431 11.0948 11.0948 k = 0.3020 0.3024 0.3599 ( 1406 PWs) bands (ev): -27.2954 -27.2954 -15.1184 -15.1184 -8.2452 -8.2452 -7.9241 -7.9241 -7.8479 -7.8479 -1.4746 -1.4746 -1.2427 -1.2427 7.0371 7.0371 9.1052 9.1052 11.0543 11.0543 k = 0.2953 0.2957 0.3599 ( 1409 PWs) bands (ev): -27.2996 -27.2996 -15.1278 -15.1278 -8.2471 -8.2471 -7.9053 -7.9053 -7.8340 -7.8340 -1.4599 -1.4599 -1.2288 -1.2288 6.9679 6.9679 9.0621 9.0621 11.0156 11.0156 k = 0.2886 0.2890 0.3599 ( 1411 PWs) bands (ev): -27.3039 -27.3039 -15.1372 -15.1372 -8.2489 -8.2489 -7.8862 -7.8862 -7.8198 -7.8198 -1.4447 -1.4447 -1.2148 -1.2148 6.8983 6.8983 9.0139 9.0139 10.9786 10.9786 k = 0.2819 0.2822 0.3599 ( 1409 PWs) bands (ev): -27.3082 -27.3082 -15.1468 -15.1468 -8.2507 -8.2507 -7.8669 -7.8669 -7.8053 -7.8053 -1.4289 -1.4289 -1.2006 -1.2006 6.8283 6.8283 8.9609 8.9609 10.9433 10.9433 k = 0.2752 0.2755 0.3599 ( 1409 PWs) bands (ev): -27.3125 -27.3125 -15.1564 -15.1564 -8.2523 -8.2523 -7.8474 -7.8474 -7.7905 -7.7905 -1.4126 -1.4126 -1.1863 -1.1863 6.7582 6.7582 8.9033 8.9033 10.9096 10.9096 k = 0.2685 0.2688 0.3599 ( 1412 PWs) bands (ev): -27.3169 -27.3169 -15.1661 -15.1661 -8.2539 -8.2539 -7.8278 -7.8278 -7.7753 -7.7753 -1.3959 -1.3959 -1.1718 -1.1718 6.6880 6.6880 8.8414 8.8414 10.8774 10.8774 k = 0.2618 0.2621 0.3599 ( 1414 PWs) bands (ev): -27.3213 -27.3213 -15.1758 -15.1758 -8.2554 -8.2554 -7.8080 -7.8080 -7.7598 -7.7598 -1.3787 -1.3787 -1.1572 -1.1572 6.6178 6.6178 8.7754 8.7754 10.8466 10.8466 k = 0.2550 0.2554 0.3599 ( 1408 PWs) bands (ev): -27.3257 -27.3257 -15.1856 -15.1856 -8.2569 -8.2569 -7.7881 -7.7881 -7.7441 -7.7441 -1.3610 -1.3610 -1.1426 -1.1426 6.5478 6.5478 8.7059 8.7059 10.8172 10.8172 k = 0.2483 0.2486 0.3599 ( 1410 PWs) bands (ev): -27.3302 -27.3302 -15.1954 -15.1954 -8.2583 -8.2583 -7.7682 -7.7682 -7.7280 -7.7280 -1.3429 -1.3429 -1.1279 -1.1279 6.4781 6.4781 8.6331 8.6331 10.7890 10.7890 k = 0.2416 0.2419 0.3599 ( 1410 PWs) bands (ev): -27.3346 -27.3346 -15.2052 -15.2052 -8.2596 -8.2596 -7.7483 -7.7483 -7.7116 -7.7116 -1.3244 -1.3244 -1.1132 -1.1132 6.4088 6.4088 8.5575 8.5575 10.7619 10.7619 k = 0.2349 0.2352 0.3599 ( 1414 PWs) bands (ev): -27.3391 -27.3391 -15.2149 -15.2149 -8.2609 -8.2609 -7.7284 -7.7284 -7.6950 -7.6950 -1.3055 -1.3055 -1.0985 -1.0985 6.3400 6.3400 8.4795 8.4795 10.7360 10.7360 k = 0.2282 0.2285 0.3599 ( 1416 PWs) bands (ev): -27.3435 -27.3435 -15.2246 -15.2246 -8.2621 -8.2621 -7.7087 -7.7087 -7.6781 -7.6781 -1.2863 -1.2863 -1.0838 -1.0838 6.2718 6.2718 8.3994 8.3994 10.7111 10.7111 k = 0.2215 0.2218 0.3599 ( 1414 PWs) bands (ev): -27.3479 -27.3479 -15.2343 -15.2343 -8.2633 -8.2633 -7.6891 -7.6891 -7.6610 -7.6610 -1.2667 -1.2667 -1.0692 -1.0692 6.2042 6.2042 8.3176 8.3176 10.6873 10.6873 k = 0.2148 0.2150 0.3599 ( 1416 PWs) bands (ev): -27.3523 -27.3523 -15.2439 -15.2439 -8.2644 -8.2644 -7.6696 -7.6696 -7.6436 -7.6436 -1.2469 -1.2469 -1.0547 -1.0547 6.1375 6.1375 8.2346 8.2346 10.6644 10.6644 k = 0.2081 0.2083 0.3599 ( 1416 PWs) bands (ev): -27.3566 -27.3566 -15.2534 -15.2534 -8.2655 -8.2655 -7.6505 -7.6505 -7.6260 -7.6260 -1.2268 -1.2268 -1.0403 -1.0403 6.0716 6.0716 8.1507 8.1507 10.6423 10.6423 k = 0.2014 0.2016 0.3599 ( 1418 PWs) bands (ev): -27.3609 -27.3609 -15.2628 -15.2628 -8.2665 -8.2665 -7.6315 -7.6315 -7.6082 -7.6082 -1.2065 -1.2065 -1.0260 -1.0260 6.0067 6.0067 8.0662 8.0662 10.6211 10.6211 k = 0.1946 0.1949 0.3599 ( 1418 PWs) bands (ev): -27.3652 -27.3652 -15.2720 -15.2720 -8.2675 -8.2675 -7.6128 -7.6128 -7.5903 -7.5903 -1.1861 -1.1861 -1.0118 -1.0118 5.9429 5.9429 7.9816 7.9816 10.6008 10.6008 k = 0.1879 0.1882 0.3599 ( 1415 PWs) bands (ev): -27.3693 -27.3693 -15.2811 -15.2811 -8.2685 -8.2685 -7.5945 -7.5945 -7.5723 -7.5723 -1.1656 -1.1656 -0.9979 -0.9979 5.8803 5.8803 7.8970 7.8970 10.5812 10.5812 k = 0.1812 0.1814 0.3599 ( 1417 PWs) bands (ev): -27.3735 -27.3735 -15.2901 -15.2901 -8.2694 -8.2694 -7.5764 -7.5764 -7.5544 -7.5544 -1.1450 -1.1450 -0.9842 -0.9842 5.8188 5.8188 7.8129 7.8129 10.5623 10.5623 k = 0.1745 0.1747 0.3599 ( 1415 PWs) bands (ev): -27.3775 -27.3775 -15.2989 -15.2989 -8.2703 -8.2703 -7.5586 -7.5586 -7.5365 -7.5365 -1.1244 -1.1244 -0.9707 -0.9707 5.7587 5.7587 7.7295 7.7295 10.5442 10.5442 k = 0.1678 0.1680 0.3599 ( 1418 PWs) bands (ev): -27.3815 -27.3815 -15.3075 -15.3075 -8.2711 -8.2711 -7.5411 -7.5411 -7.5188 -7.5188 -1.1039 -1.1039 -0.9574 -0.9574 5.7000 5.7000 7.6471 7.6471 10.5268 10.5268 k = 0.1611 0.1613 0.3599 ( 1416 PWs) bands (ev): -27.3853 -27.3853 -15.3159 -15.3159 -8.2720 -8.2720 -7.5239 -7.5239 -7.5013 -7.5013 -1.0834 -1.0834 -0.9445 -0.9445 5.6427 5.6427 7.5659 7.5659 10.5101 10.5101 k = 0.1544 0.1546 0.3599 ( 1419 PWs) bands (ev): -27.3891 -27.3891 -15.3241 -15.3241 -8.2727 -8.2727 -7.5071 -7.5071 -7.4841 -7.4841 -1.0632 -1.0632 -0.9318 -0.9318 5.5870 5.5870 7.4863 7.4863 10.4940 10.4941 k = 0.1477 0.1478 0.3599 ( 1416 PWs) bands (ev): -27.3927 -27.3927 -15.3320 -15.3320 -8.2735 -8.2735 -7.4906 -7.4906 -7.4673 -7.4673 -1.0431 -1.0431 -0.9195 -0.9195 5.5330 5.5330 7.4084 7.4084 10.4787 10.4787 k = 0.1409 0.1411 0.3599 ( 1412 PWs) bands (ev): -27.3963 -27.3963 -15.3397 -15.3397 -8.2742 -8.2742 -7.4744 -7.4744 -7.4508 -7.4508 -1.0234 -1.0234 -0.9075 -0.9075 5.4806 5.4806 7.3325 7.3325 10.4640 10.4640 k = 0.1342 0.1344 0.3599 ( 1410 PWs) bands (ev): -27.3997 -27.3997 -15.3472 -15.3472 -8.2749 -8.2749 -7.4587 -7.4587 -7.4348 -7.4348 -1.0040 -1.0040 -0.8959 -0.8959 5.4301 5.4301 7.2587 7.2587 10.4500 10.4500 k = 0.1275 0.1277 0.3599 ( 1410 PWs) bands (ev): -27.4030 -27.4030 -15.3543 -15.3543 -8.2755 -8.2755 -7.4434 -7.4434 -7.4193 -7.4193 -0.9850 -0.9850 -0.8846 -0.8846 5.3814 5.3814 7.1874 7.1874 10.4365 10.4365 k = 0.1208 0.1210 0.3599 ( 1405 PWs) bands (ev): -27.4062 -27.4062 -15.3612 -15.3612 -8.2761 -8.2761 -7.4286 -7.4286 -7.4043 -7.4043 -0.9665 -0.9665 -0.8738 -0.8738 5.3347 5.3347 7.1186 7.1186 10.4238 10.4238 k = 0.1141 0.1142 0.3599 ( 1405 PWs) bands (ev): -27.4093 -27.4093 -15.3678 -15.3678 -8.2767 -8.2767 -7.4143 -7.4143 -7.3899 -7.3899 -0.9485 -0.9485 -0.8633 -0.8633 5.2900 5.2900 7.0525 7.0525 10.4117 10.4117 k = 0.1074 0.1075 0.3599 ( 1402 PWs) bands (ev): -27.4122 -27.4122 -15.3741 -15.3741 -8.2773 -8.2773 -7.4006 -7.4006 -7.3761 -7.3761 -0.9312 -0.9312 -0.8533 -0.8533 5.2473 5.2473 6.9893 6.9893 10.4002 10.4002 k = 0.1007 0.1008 0.3599 ( 1402 PWs) bands (ev): -27.4149 -27.4149 -15.3800 -15.3800 -8.2778 -8.2778 -7.3875 -7.3875 -7.3629 -7.3629 -0.9146 -0.9146 -0.8438 -0.8438 5.2069 5.2069 6.9292 6.9292 10.3894 10.3894 k = 0.0940 0.0941 0.3599 ( 1401 PWs) bands (ev): -27.4175 -27.4175 -15.3856 -15.3856 -8.2783 -8.2783 -7.3750 -7.3750 -7.3504 -7.3504 -0.8988 -0.8988 -0.8347 -0.8347 5.1687 5.1687 6.8723 6.8723 10.3792 10.3792 k = 0.0873 0.0874 0.3599 ( 1401 PWs) bands (ev): -27.4200 -27.4200 -15.3909 -15.3909 -8.2788 -8.2788 -7.3632 -7.3632 -7.3387 -7.3387 -0.8839 -0.8839 -0.8260 -0.8260 5.1327 5.1327 6.8187 6.8187 10.3697 10.3697 k = 0.0805 0.0806 0.3599 ( 1401 PWs) bands (ev): -27.4222 -27.4222 -15.3958 -15.3958 -8.2792 -8.2792 -7.3521 -7.3521 -7.3276 -7.3276 -0.8699 -0.8699 -0.8178 -0.8178 5.0992 5.0992 6.7686 6.7686 10.3609 10.3609 k = 0.0738 0.0739 0.3599 ( 1399 PWs) bands (ev): -27.4244 -27.4244 -15.4004 -15.4004 -8.2796 -8.2796 -7.3417 -7.3417 -7.3173 -7.3173 -0.8570 -0.8570 -0.8100 -0.8100 5.0680 5.0680 6.7221 6.7221 10.3528 10.3528 k = 0.0671 0.0672 0.3599 ( 1403 PWs) bands (ev): -27.4263 -27.4263 -15.4046 -15.4046 -8.2800 -8.2800 -7.3322 -7.3322 -7.3078 -7.3078 -0.8452 -0.8452 -0.8026 -0.8026 5.0394 5.0394 6.6793 6.6793 10.3452 10.3452 k = 0.0604 0.0605 0.3599 ( 1400 PWs) bands (ev): -27.4281 -27.4281 -15.4084 -15.4084 -8.2803 -8.2803 -7.3234 -7.3234 -7.2991 -7.2991 -0.8345 -0.8345 -0.7957 -0.7957 5.0133 5.0133 6.6402 6.6402 10.3385 10.3385 k = 0.0537 0.0538 0.3599 ( 1402 PWs) bands (ev): -27.4297 -27.4297 -15.4118 -15.4118 -8.2806 -8.2806 -7.3155 -7.3155 -7.2913 -7.2913 -0.8250 -0.8250 -0.7892 -0.7892 4.9898 4.9898 6.6050 6.6050 10.3324 10.3324 k = 0.0470 0.0470 0.3599 ( 1404 PWs) bands (ev): -27.4311 -27.4311 -15.4149 -15.4149 -8.2809 -8.2809 -7.3085 -7.3085 -7.2843 -7.2843 -0.8169 -0.8169 -0.7833 -0.7833 4.9689 4.9689 6.5738 6.5738 10.3270 10.3270 k = 0.0403 0.0403 0.3599 ( 1406 PWs) bands (ev): -27.4323 -27.4323 -15.4175 -15.4175 -8.2811 -8.2811 -7.3024 -7.3024 -7.2782 -7.2782 -0.8099 -0.8099 -0.7778 -0.7778 4.9507 4.9507 6.5466 6.5466 10.3223 10.3223 k = 0.0336 0.0336 0.3599 ( 1404 PWs) bands (ev): -27.4333 -27.4333 -15.4198 -15.4198 -8.2813 -8.2813 -7.2972 -7.2972 -7.2730 -7.2730 -0.8042 -0.8042 -0.7730 -0.7730 4.9353 4.9353 6.5235 6.5235 10.3184 10.3184 k = 0.0268 0.0269 0.3599 ( 1406 PWs) bands (ev): -27.4342 -27.4342 -15.4216 -15.4216 -8.2815 -8.2815 -7.2929 -7.2929 -7.2688 -7.2688 -0.7996 -0.7996 -0.7688 -0.7688 4.9226 4.9226 6.5045 6.5045 10.3151 10.3151 k = 0.0201 0.0202 0.3599 ( 1408 PWs) bands (ev): -27.4349 -27.4349 -15.4231 -15.4231 -8.2816 -8.2816 -7.2895 -7.2895 -7.2654 -7.2654 -0.7961 -0.7961 -0.7655 -0.7655 4.9127 4.9127 6.4897 6.4897 10.3126 10.3126 k = 0.0134 0.0134 0.3599 ( 1406 PWs) bands (ev): -27.4354 -27.4354 -15.4241 -15.4241 -8.2817 -8.2817 -7.2871 -7.2871 -7.2630 -7.2630 -0.7936 -0.7936 -0.7630 -0.7630 4.9056 4.9056 6.4791 6.4791 10.3107 10.3107 k = 0.0067 0.0067 0.3599 ( 1406 PWs) bands (ev): -27.4356 -27.4356 -15.4247 -15.4247 -8.2818 -8.2818 -7.2857 -7.2857 -7.2616 -7.2616 -0.7922 -0.7922 -0.7615 -0.7615 4.9014 4.9014 6.4727 6.4727 10.3097 10.3097 k = 0.0000 0.0000 0.3599 ( 1406 PWs) bands (ev): -27.4357 -27.4357 -15.4249 -15.4249 -8.2818 -8.2818 -7.2852 -7.2852 -7.2611 -7.2611 -0.7917 -0.7917 -0.7610 -0.7610 4.9000 4.9000 6.4706 6.4706 10.3093 10.3093 k = 0.0000 0.0000 0.3599 ( 1406 PWs) bands (ev): -27.4357 -27.4357 -15.4249 -15.4249 -8.2818 -8.2818 -7.2852 -7.2852 -7.2611 -7.2611 -0.7917 -0.7917 -0.7610 -0.7610 4.9000 4.9000 6.4706 6.4706 10.3093 10.3093 k = 0.0068-0.0067 0.3599 ( 1406 PWs) bands (ev): -27.4356 -27.4356 -15.4247 -15.4247 -8.2818 -8.2818 -7.2857 -7.2857 -7.2616 -7.2616 -0.7922 -0.7922 -0.7615 -0.7615 4.9014 4.9014 6.4727 6.4727 10.3097 10.3097 k = 0.0135-0.0135 0.3599 ( 1404 PWs) bands (ev): -27.4354 -27.4354 -15.4241 -15.4241 -8.2817 -8.2817 -7.2871 -7.2871 -7.2631 -7.2631 -0.7938 -0.7938 -0.7630 -0.7630 4.9057 4.9057 6.4792 6.4792 10.3107 10.3107 k = 0.0203-0.0202 0.3599 ( 1406 PWs) bands (ev): -27.4349 -27.4349 -15.4231 -15.4231 -8.2816 -8.2816 -7.2895 -7.2895 -7.2655 -7.2655 -0.7964 -0.7964 -0.7653 -0.7653 4.9128 4.9128 6.4899 6.4899 10.3124 10.3124 k = 0.0270-0.0270 0.3599 ( 1406 PWs) bands (ev): -27.4342 -27.4342 -15.4216 -15.4216 -8.2815 -8.2815 -7.2929 -7.2929 -7.2689 -7.2689 -0.8000 -0.8000 -0.7686 -0.7686 4.9228 4.9228 6.5048 6.5048 10.3148 10.3148 k = 0.0338-0.0337 0.3599 ( 1404 PWs) bands (ev): -27.4333 -27.4333 -15.4198 -15.4198 -8.2813 -8.2813 -7.2972 -7.2972 -7.2732 -7.2732 -0.8049 -0.8049 -0.7726 -0.7726 4.9356 4.9356 6.5240 6.5240 10.3179 10.3179 k = 0.0405-0.0405 0.3599 ( 1400 PWs) bands (ev): -27.4323 -27.4323 -15.4175 -15.4175 -8.2811 -8.2811 -7.3024 -7.3024 -7.2785 -7.2785 -0.8109 -0.8109 -0.7773 -0.7773 4.9512 4.9512 6.5474 6.5474 10.3217 10.3217 k = 0.0473-0.0472 0.3599 ( 1400 PWs) bands (ev): -27.4310 -27.4310 -15.4148 -15.4148 -8.2808 -8.2808 -7.3085 -7.3085 -7.2847 -7.2847 -0.8182 -0.8182 -0.7826 -0.7826 4.9696 4.9696 6.5749 6.5749 10.3262 10.3262 k = 0.0541-0.0540 0.3599 ( 1400 PWs) bands (ev): -27.4296 -27.4296 -15.4118 -15.4118 -8.2805 -8.2805 -7.3155 -7.3155 -7.2918 -7.2918 -0.8267 -0.8267 -0.7885 -0.7885 4.9907 4.9907 6.6065 6.6065 10.3314 10.3314 k = 0.0608-0.0607 0.3599 ( 1398 PWs) bands (ev): -27.4280 -27.4280 -15.4083 -15.4083 -8.2802 -8.2802 -7.3234 -7.3234 -7.2997 -7.2997 -0.8365 -0.8365 -0.7948 -0.7948 5.0144 5.0144 6.6420 6.6420 10.3372 10.3372 k = 0.0676-0.0675 0.3599 ( 1398 PWs) bands (ev): -27.4262 -27.4262 -15.4044 -15.4044 -8.2799 -8.2799 -7.3322 -7.3322 -7.3085 -7.3085 -0.8475 -0.8475 -0.8017 -0.8017 5.0408 5.0408 6.6815 6.6815 10.3436 10.3436 k = 0.0743-0.0742 0.3599 ( 1394 PWs) bands (ev): -27.4242 -27.4242 -15.4002 -15.4002 -8.2795 -8.2795 -7.3418 -7.3418 -7.3181 -7.3181 -0.8596 -0.8596 -0.8090 -0.8090 5.0697 5.0697 6.7248 6.7248 10.3508 10.3508 k = 0.0811-0.0810 0.3599 ( 1394 PWs) bands (ev): -27.4221 -27.4221 -15.3956 -15.3956 -8.2790 -8.2790 -7.3521 -7.3521 -7.3285 -7.3285 -0.8729 -0.8729 -0.8168 -0.8168 5.1011 5.1011 6.7718 6.7718 10.3585 10.3585 k = 0.0878-0.0877 0.3599 ( 1398 PWs) bands (ev): -27.4197 -27.4197 -15.3907 -15.3907 -8.2786 -8.2786 -7.3633 -7.3633 -7.3397 -7.3397 -0.8872 -0.8872 -0.8250 -0.8250 5.1350 5.1350 6.8224 6.8224 10.3669 10.3669 k = 0.0946-0.0945 0.3599 ( 1400 PWs) bands (ev): -27.4173 -27.4173 -15.3854 -15.3854 -8.2781 -8.2781 -7.3751 -7.3751 -7.3516 -7.3516 -0.9025 -0.9025 -0.8338 -0.8338 5.1712 5.1712 6.8765 6.8765 10.3759 10.3759 k = 0.1014-0.1012 0.3599 ( 1396 PWs) bands (ev): -27.4146 -27.4146 -15.3797 -15.3797 -8.2775 -8.2775 -7.3877 -7.3877 -7.3642 -7.3642 -0.9186 -0.9186 -0.8429 -0.8429 5.2098 5.2098 6.9339 6.9339 10.3856 10.3856 k = 0.1081-0.1080 0.3599 ( 1396 PWs) bands (ev): -27.4118 -27.4118 -15.3738 -15.3738 -8.2770 -8.2770 -7.4009 -7.4009 -7.3775 -7.3775 -0.9355 -0.9355 -0.8525 -0.8525 5.2507 5.2507 6.9946 6.9946 10.3959 10.3959 k = 0.1149-0.1147 0.3599 ( 1392 PWs) bands (ev): -27.4089 -27.4089 -15.3674 -15.3674 -8.2764 -8.2764 -7.4147 -7.4147 -7.3914 -7.3914 -0.9531 -0.9531 -0.8626 -0.8626 5.2937 5.2937 7.0584 7.0584 10.4068 10.4068 k = 0.1216-0.1215 0.3599 ( 1392 PWs) bands (ev): -27.4058 -27.4058 -15.3608 -15.3608 -8.2757 -8.2757 -7.4290 -7.4290 -7.4059 -7.4059 -0.9714 -0.9714 -0.8731 -0.8731 5.3388 5.3388 7.1251 7.1251 10.4183 10.4183 k = 0.1284-0.1282 0.3599 ( 1392 PWs) bands (ev): -27.4026 -27.4026 -15.3539 -15.3539 -8.2751 -8.2751 -7.4439 -7.4439 -7.4209 -7.4209 -0.9902 -0.9902 -0.8841 -0.8841 5.3859 5.3859 7.1946 7.1946 10.4303 10.4303 k = 0.1351-0.1350 0.3599 ( 1394 PWs) bands (ev): -27.3992 -27.3992 -15.3467 -15.3467 -8.2744 -8.2744 -7.4593 -7.4593 -7.4365 -7.4365 -1.0095 -1.0095 -0.8954 -0.8954 5.4349 5.4349 7.2666 7.2666 10.4430 10.4430 k = 0.1419-0.1417 0.3599 ( 1398 PWs) bands (ev): -27.3958 -27.3958 -15.3392 -15.3392 -8.2737 -8.2737 -7.4752 -7.4752 -7.4525 -7.4525 -1.0293 -1.0293 -0.9071 -0.9071 5.4859 5.4859 7.3410 7.3410 10.4562 10.4562 k = 0.1486-0.1485 0.3599 ( 1404 PWs) bands (ev): -27.3922 -27.3922 -15.3315 -15.3315 -8.2729 -8.2729 -7.4915 -7.4915 -7.4689 -7.4689 -1.0494 -1.0494 -0.9192 -0.9192 5.5386 5.5386 7.4175 7.4175 10.4699 10.4699 k = 0.1554-0.1552 0.3599 ( 1410 PWs) bands (ev): -27.3885 -27.3885 -15.3235 -15.3235 -8.2721 -8.2721 -7.5082 -7.5082 -7.4857 -7.4857 -1.0698 -1.0698 -0.9317 -0.9317 5.5931 5.5931 7.4961 7.4961 10.4842 10.4842 k = 0.1622-0.1620 0.3599 ( 1414 PWs) bands (ev): -27.3847 -27.3847 -15.3153 -15.3153 -8.2713 -8.2713 -7.5253 -7.5253 -7.5028 -7.5028 -1.0904 -1.0904 -0.9444 -0.9444 5.6491 5.6491 7.5764 7.5764 10.4992 10.4992 k = 0.1689-0.1687 0.3599 ( 1412 PWs) bands (ev): -27.3808 -27.3808 -15.3069 -15.3069 -8.2704 -8.2704 -7.5427 -7.5427 -7.5202 -7.5202 -1.1112 -1.1112 -0.9575 -0.9575 5.7068 5.7068 7.6582 7.6582 10.5148 10.5148 k = 0.1757-0.1755 0.3599 ( 1412 PWs) bands (ev): -27.3768 -27.3768 -15.2983 -15.2983 -8.2696 -8.2696 -7.5605 -7.5605 -7.5377 -7.5377 -1.1321 -1.1321 -0.9709 -0.9709 5.7659 5.7659 7.7412 7.7412 10.5309 10.5309 k = 0.1824-0.1822 0.3599 ( 1414 PWs) bands (ev): -27.3727 -27.3727 -15.2895 -15.2895 -8.2686 -8.2686 -7.5786 -7.5786 -7.5553 -7.5553 -1.1531 -1.1531 -0.9845 -0.9845 5.8264 5.8264 7.8252 7.8252 10.5477 10.5477 k = 0.1892-0.1890 0.3599 ( 1410 PWs) bands (ev): -27.3685 -27.3685 -15.2805 -15.2805 -8.2677 -8.2677 -7.5971 -7.5971 -7.5729 -7.5729 -1.1740 -1.1740 -0.9983 -0.9983 5.8882 5.8882 7.9099 7.9099 10.5651 10.5651 k = 0.1959-0.1957 0.3599 ( 1408 PWs) bands (ev): -27.3643 -27.3643 -15.2714 -15.2714 -8.2667 -8.2667 -7.6158 -7.6158 -7.5905 -7.5905 -1.1948 -1.1948 -1.0123 -1.0123 5.9513 5.9513 7.9950 7.9950 10.5831 10.5831 k = 0.2027-0.2025 0.3599 ( 1412 PWs) bands (ev): -27.3600 -27.3600 -15.2621 -15.2621 -8.2656 -8.2656 -7.6348 -7.6348 -7.6081 -7.6081 -1.2156 -1.2156 -1.0266 -1.0266 6.0154 6.0154 8.0801 8.0801 10.6018 10.6018 k = 0.2095-0.2092 0.3599 ( 1408 PWs) bands (ev): -27.3557 -27.3557 -15.2527 -15.2527 -8.2645 -8.2645 -7.6541 -7.6541 -7.6255 -7.6255 -1.2362 -1.2362 -1.0410 -1.0410 6.0806 6.0806 8.1650 8.1650 10.6212 10.6212 k = 0.2162-0.2160 0.3599 ( 1408 PWs) bands (ev): -27.3513 -27.3513 -15.2433 -15.2433 -8.2634 -8.2634 -7.6736 -7.6736 -7.6427 -7.6427 -1.2566 -1.2566 -1.0555 -1.0555 6.1468 6.1468 8.2493 8.2493 10.6413 10.6413 k = 0.2230-0.2227 0.3599 ( 1406 PWs) bands (ev): -27.3469 -27.3469 -15.2337 -15.2337 -8.2623 -8.2623 -7.6934 -7.6934 -7.6597 -7.6597 -1.2768 -1.2768 -1.0701 -1.0701 6.2138 6.2138 8.3327 8.3327 10.6621 10.6621 k = 0.2297-0.2295 0.3599 ( 1404 PWs) bands (ev): -27.3424 -27.3424 -15.2241 -15.2241 -8.2611 -8.2611 -7.7132 -7.7132 -7.6766 -7.6766 -1.2967 -1.2967 -1.0848 -1.0848 6.2815 6.2815 8.4148 8.4148 10.6837 10.6837 k = 0.2365-0.2362 0.3599 ( 1410 PWs) bands (ev): -27.3379 -27.3379 -15.2144 -15.2144 -8.2598 -8.2598 -7.7332 -7.7332 -7.6931 -7.6931 -1.3163 -1.3163 -1.0996 -1.0996 6.3499 6.3499 8.4951 8.4951 10.7061 10.7061 k = 0.2432-0.2429 0.3599 ( 1408 PWs) bands (ev): -27.3335 -27.3335 -15.2047 -15.2047 -8.2585 -8.2585 -7.7532 -7.7532 -7.7094 -7.7094 -1.3356 -1.3356 -1.1143 -1.1143 6.4189 6.4189 8.5733 8.5733 10.7294 10.7294 k = 0.2500-0.2497 0.3599 ( 1412 PWs) bands (ev): -27.3290 -27.3290 -15.1950 -15.1950 -8.2571 -8.2571 -7.7733 -7.7733 -7.7255 -7.7255 -1.3545 -1.3545 -1.1291 -1.1291 6.4883 6.4883 8.6490 8.6490 10.7535 10.7535 k = 0.2568-0.2564 0.3599 ( 1412 PWs) bands (ev): -27.3245 -27.3245 -15.1852 -15.1852 -8.2557 -8.2557 -7.7933 -7.7933 -7.7412 -7.7412 -1.3729 -1.3729 -1.1439 -1.1439 6.5581 6.5581 8.7217 8.7217 10.7787 10.7787 k = 0.2635-0.2632 0.3599 ( 1414 PWs) bands (ev): -27.3201 -27.3201 -15.1755 -15.1755 -8.2543 -8.2543 -7.8133 -7.8133 -7.7566 -7.7566 -1.3910 -1.3910 -1.1586 -1.1586 6.6281 6.6281 8.7912 8.7912 10.8048 10.8048 k = 0.2703-0.2699 0.3599 ( 1414 PWs) bands (ev): -27.3156 -27.3156 -15.1659 -15.1659 -8.2527 -8.2527 -7.8331 -7.8331 -7.7717 -7.7717 -1.4085 -1.4085 -1.1732 -1.1732 6.6982 6.6982 8.8570 8.8570 10.8321 10.8321 k = 0.2770-0.2767 0.3599 ( 1414 PWs) bands (ev): -27.3112 -27.3112 -15.1563 -15.1563 -8.2511 -8.2511 -7.8528 -7.8528 -7.7865 -7.7865 -1.4257 -1.4257 -1.1877 -1.1877 6.7683 6.7683 8.9187 8.9187 10.8605 10.8605 k = 0.2838-0.2834 0.3599 ( 1412 PWs) bands (ev): -27.3068 -27.3068 -15.1467 -15.1467 -8.2495 -8.2495 -7.8723 -7.8723 -7.8009 -7.8009 -1.4423 -1.4423 -1.2021 -1.2021 6.8383 6.8383 8.9761 8.9761 10.8901 10.8901 k = 0.2905-0.2902 0.3599 ( 1410 PWs) bands (ev): -27.3025 -27.3025 -15.1373 -15.1373 -8.2477 -8.2477 -7.8916 -7.8916 -7.8150 -7.8150 -1.4584 -1.4584 -1.2163 -1.2163 6.9080 6.9080 9.0287 9.0287 10.9210 10.9210 k = 0.2973-0.2969 0.3599 ( 1410 PWs) bands (ev): -27.2982 -27.2982 -15.1280 -15.1280 -8.2459 -8.2459 -7.9107 -7.9107 -7.8287 -7.8287 -1.4740 -1.4740 -1.2303 -1.2303 6.9773 6.9773 9.0764 9.0764 10.9533 10.9533 k = 0.3041-0.3037 0.3599 ( 1408 PWs) bands (ev): -27.2940 -27.2940 -15.1188 -15.1188 -8.2440 -8.2440 -7.9294 -7.9294 -7.8421 -7.8421 -1.4890 -1.4890 -1.2441 -1.2441 7.0460 7.0460 9.1190 9.1190 10.9870 10.9870 k = 0.3108-0.3104 0.3599 ( 1408 PWs) bands (ev): -27.2898 -27.2898 -15.1097 -15.1097 -8.2421 -8.2421 -7.9478 -7.9478 -7.8552 -7.8552 -1.5035 -1.5035 -1.2577 -1.2577 7.1141 7.1141 9.1563 9.1563 11.0222 11.0222 k = 0.3176-0.3172 0.3599 ( 1408 PWs) bands (ev): -27.2858 -27.2858 -15.1008 -15.1008 -8.2400 -8.2400 -7.9659 -7.9659 -7.8678 -7.8678 -1.5175 -1.5175 -1.2711 -1.2711 7.1814 7.1814 9.1883 9.1883 11.0590 11.0590 k = 0.3243-0.3239 0.3599 ( 1412 PWs) bands (ev): -27.2818 -27.2818 -15.0921 -15.0921 -8.2379 -8.2379 -7.9836 -7.9836 -7.8801 -7.8801 -1.5309 -1.5309 -1.2842 -1.2842 7.2477 7.2477 9.2150 9.2150 11.0973 11.0973 k = 0.3311-0.3307 0.3599 ( 1412 PWs) bands (ev): -27.2779 -27.2779 -15.0835 -15.0835 -8.2357 -8.2357 -8.0009 -8.0009 -7.8921 -7.8921 -1.5437 -1.5437 -1.2969 -1.2969 7.3128 7.3128 9.2365 9.2365 11.1374 11.1374 k = 0.3378-0.3374 0.3599 ( 1412 PWs) bands (ev): -27.2740 -27.2740 -15.0752 -15.0752 -8.2334 -8.2334 -8.0177 -8.0177 -7.9037 -7.9037 -1.5560 -1.5560 -1.3094 -1.3094 7.3767 7.3767 9.2529 9.2529 11.1793 11.1793 k = 0.3446-0.3442 0.3599 ( 1410 PWs) bands (ev): -27.2703 -27.2703 -15.0671 -15.0671 -8.2311 -8.2311 -8.0340 -8.0340 -7.9149 -7.9149 -1.5677 -1.5677 -1.3215 -1.3215 7.4392 7.4392 9.2646 9.2646 11.2229 11.2229 k = 0.3514-0.3509 0.3599 ( 1410 PWs) bands (ev): -27.2667 -27.2667 -15.0592 -15.0592 -8.2286 -8.2286 -8.0499 -8.0499 -7.9258 -7.9258 -1.5789 -1.5789 -1.3333 -1.3333 7.5000 7.5000 9.2717 9.2717 11.2682 11.2682 k = 0.3581-0.3577 0.3599 ( 1410 PWs) bands (ev): -27.2632 -27.2632 -15.0515 -15.0515 -8.2261 -8.2261 -8.0652 -8.0652 -7.9363 -7.9363 -1.5895 -1.5895 -1.3446 -1.3446 7.5592 7.5592 9.2747 9.2747 11.3153 11.3153 k = 0.3649-0.3644 0.3599 ( 1410 PWs) bands (ev): -27.2599 -27.2599 -15.0442 -15.0442 -8.2235 -8.2235 -8.0799 -8.0799 -7.9465 -7.9465 -1.5995 -1.5995 -1.3556 -1.3556 7.6164 7.6164 9.2739 9.2739 11.3639 11.3639 k = 0.3716-0.3712 0.3599 ( 1412 PWs) bands (ev): -27.2566 -27.2566 -15.0371 -15.0371 -8.2208 -8.2208 -8.0941 -8.0941 -7.9564 -7.9564 -1.6090 -1.6090 -1.3662 -1.3662 7.6716 7.6716 9.2698 9.2698 11.4139 11.4139 k = 0.3784-0.3779 0.3599 ( 1414 PWs) bands (ev): -27.2535 -27.2535 -15.0303 -15.0303 -8.2181 -8.2181 -8.1076 -8.1076 -7.9658 -7.9658 -1.6180 -1.6180 -1.3763 -1.3763 7.7247 7.7247 9.2627 9.2627 11.4651 11.4651 k = 0.3851-0.3847 0.3599 ( 1416 PWs) bands (ev): -27.2505 -27.2505 -15.0237 -15.0237 -8.2153 -8.2153 -8.1205 -8.1205 -7.9750 -7.9750 -1.6264 -1.6264 -1.3860 -1.3860 7.7755 7.7755 9.2532 9.2532 11.5172 11.5172 k = 0.3919-0.3914 0.3599 ( 1418 PWs) bands (ev): -27.2477 -27.2477 -15.0175 -15.0175 -8.2125 -8.2125 -8.1327 -8.1327 -7.9838 -7.9838 -1.6343 -1.6343 -1.3952 -1.3952 7.8239 7.8239 9.2416 9.2416 11.5697 11.5697 k = 0.3986-0.3982 0.3599 ( 1416 PWs) bands (ev): -27.2450 -27.2450 -15.0116 -15.0116 -8.2097 -8.2097 -8.1442 -8.1442 -7.9923 -7.9923 -1.6417 -1.6417 -1.4039 -1.4039 7.8698 7.8698 9.2285 9.2285 11.6219 11.6219 k = 0.4054-0.4049 0.3599 ( 1412 PWs) bands (ev): -27.2425 -27.2425 -15.0061 -15.0061 -8.2070 -8.2070 -8.1549 -8.1549 -8.0003 -8.0003 -1.6485 -1.6485 -1.4121 -1.4121 7.9131 7.9131 9.2141 9.2141 11.6730 11.6730 k = 0.4122-0.4117 0.3599 ( 1414 PWs) bands (ev): -27.2401 -27.2401 -15.0009 -15.0009 -8.2044 -8.2044 -8.1647 -8.1647 -8.0081 -8.0081 -1.6548 -1.6548 -1.4199 -1.4199 7.9537 7.9537 9.1990 9.1990 11.7222 11.7222 k = 0.4189-0.4184 0.3599 ( 1414 PWs) bands (ev): -27.2379 -27.2379 -14.9960 -14.9960 -8.2023 -8.2023 -8.1734 -8.1734 -8.0155 -8.0155 -1.6606 -1.6606 -1.4271 -1.4271 7.9915 7.9915 9.1835 9.1835 11.7683 11.7683 k = 0.4257-0.4252 0.3599 ( 1416 PWs) bands (ev): -27.2358 -27.2358 -14.9915 -14.9915 -8.2012 -8.2012 -8.1803 -8.1803 -8.0225 -8.0225 -1.6659 -1.6659 -1.4337 -1.4337 8.0265 8.0265 9.1680 9.1680 11.8103 11.8103 k = 0.4324-0.4319 0.3599 ( 1416 PWs) bands (ev): -27.2339 -27.2339 -14.9874 -14.9874 -8.2024 -8.2024 -8.1842 -8.1842 -8.0292 -8.0292 -1.6708 -1.6708 -1.4399 -1.4399 8.0585 8.0585 9.1527 9.1527 11.8473 11.8473 k = 0.4392-0.4387 0.3599 ( 1416 PWs) bands (ev): -27.2322 -27.2322 -14.9836 -14.9836 -8.2063 -8.2063 -8.1847 -8.1847 -8.0354 -8.0354 -1.6751 -1.6751 -1.4454 -1.4454 8.0876 8.0876 9.1380 9.1380 11.8789 11.8789 k = 0.4459-0.4454 0.3599 ( 1416 PWs) bands (ev): -27.2307 -27.2307 -14.9802 -14.9802 -8.2113 -8.2113 -8.1834 -8.1834 -8.0412 -8.0412 -1.6790 -1.6790 -1.4504 -1.4504 8.1137 8.1137 9.1242 9.1242 11.9049 11.9049 k = 0.4527-0.4522 0.3599 ( 1416 PWs) bands (ev): -27.2293 -27.2293 -14.9772 -14.9772 -8.2165 -8.2165 -8.1814 -8.1814 -8.0464 -8.0464 -1.6824 -1.6824 -1.4549 -1.4549 8.1368 8.1368 9.1114 9.1114 11.9256 11.9256 k = 0.4595-0.4589 0.3599 ( 1418 PWs) bands (ev): -27.2281 -27.2281 -14.9746 -14.9746 -8.2212 -8.2212 -8.1792 -8.1792 -8.0512 -8.0512 -1.6853 -1.6853 -1.4587 -1.4587 8.1568 8.1568 9.1000 9.1000 11.9417 11.9417 k = 0.4662-0.4657 0.3599 ( 1418 PWs) bands (ev): -27.2271 -27.2271 -14.9724 -14.9724 -8.2253 -8.2253 -8.1771 -8.1771 -8.0554 -8.0554 -1.6878 -1.6878 -1.4620 -1.4620 8.1738 8.1738 9.0900 9.0900 11.9539 11.9539 k = 0.4730-0.4724 0.3599 ( 1418 PWs) bands (ev): -27.2263 -27.2263 -14.9705 -14.9705 -8.2287 -8.2287 -8.1752 -8.1752 -8.0589 -8.0589 -1.6898 -1.6898 -1.4647 -1.4647 8.1877 8.1877 9.0816 9.0816 11.9628 11.9628 k = 0.4797-0.4791 0.3599 ( 1416 PWs) bands (ev): -27.2256 -27.2256 -14.9691 -14.9691 -8.2313 -8.2313 -8.1736 -8.1736 -8.0618 -8.0618 -1.6914 -1.6914 -1.4668 -1.4668 8.1986 8.1986 9.0750 9.0750 11.9691 11.9691 k = 0.4865-0.4859 0.3599 ( 1420 PWs) bands (ev): -27.2252 -27.2252 -14.9681 -14.9681 -8.2333 -8.2333 -8.1724 -8.1724 -8.0639 -8.0639 -1.6925 -1.6925 -1.4683 -1.4683 8.2063 8.2063 9.0702 9.0702 11.9732 11.9732 k = 0.4932-0.4926 0.3599 ( 1416 PWs) bands (ev): -27.2249 -27.2249 -14.9675 -14.9675 -8.2344 -8.2344 -8.1717 -8.1717 -8.0652 -8.0652 -1.6931 -1.6931 -1.4692 -1.4692 8.2109 8.2109 9.0672 9.0672 11.9756 11.9756 k = 0.5000-0.4994 0.3599 ( 1414 PWs) bands (ev): -27.2248 -27.2248 -14.9673 -14.9673 -8.2348 -8.2348 -8.1714 -8.1714 -8.0656 -8.0656 -1.6934 -1.6934 -1.4695 -1.4695 8.2125 8.2125 9.0663 9.0663 11.9764 11.9764 k = 0.5000-0.4994 0.3599 ( 1414 PWs) bands (ev): -27.2248 -27.2248 -14.9673 -14.9673 -8.2348 -8.2348 -8.1714 -8.1714 -8.0656 -8.0656 -1.6934 -1.6934 -1.4695 -1.4695 8.2125 8.2125 9.0663 9.0663 11.9764 11.9764 k = 0.4937-0.5057 0.3599 ( 1416 PWs) bands (ev): -27.2249 -27.2249 -14.9674 -14.9674 -8.2354 -8.2354 -8.1711 -8.1711 -8.0650 -8.0650 -1.6930 -1.6930 -1.4694 -1.4694 8.2126 8.2126 9.0654 9.0654 11.9765 11.9765 k = 0.4875-0.5119 0.3599 ( 1418 PWs) bands (ev): -27.2251 -27.2251 -14.9677 -14.9677 -8.2370 -8.2370 -8.1702 -8.1702 -8.0633 -8.0633 -1.6921 -1.6921 -1.4691 -1.4691 8.2130 8.2130 9.0628 9.0628 11.9767 11.9767 k = 0.4812-0.5182 0.3599 ( 1416 PWs) bands (ev): -27.2256 -27.2256 -14.9683 -14.9683 -8.2397 -8.2397 -8.1687 -8.1687 -8.0604 -8.0604 -1.6906 -1.6906 -1.4685 -1.4685 8.2137 8.2137 9.0585 9.0585 11.9773 11.9773 k = 0.4750-0.5244 0.3599 ( 1416 PWs) bands (ev): -27.2261 -27.2261 -14.9690 -14.9690 -8.2433 -8.2433 -8.1666 -8.1666 -8.0566 -8.0566 -1.6884 -1.6884 -1.4677 -1.4677 8.2147 8.2147 9.0523 9.0523 11.9783 11.9783 k = 0.4687-0.5307 0.3599 ( 1414 PWs) bands (ev): -27.2269 -27.2269 -14.9700 -14.9700 -8.2477 -8.2477 -8.1638 -8.1638 -8.0519 -8.0519 -1.6856 -1.6856 -1.4666 -1.4666 8.2158 8.2158 9.0443 9.0443 11.9799 11.9799 k = 0.4625-0.5370 0.3599 ( 1416 PWs) bands (ev): -27.2278 -27.2278 -14.9712 -14.9712 -8.2530 -8.2530 -8.1603 -8.1603 -8.0464 -8.0464 -1.6823 -1.6823 -1.4653 -1.4653 8.2172 8.2172 9.0343 9.0343 11.9823 11.9823 k = 0.4562-0.5432 0.3599 ( 1416 PWs) bands (ev): -27.2288 -27.2288 -14.9726 -14.9726 -8.2588 -8.2588 -8.1562 -8.1562 -8.0403 -8.0403 -1.6783 -1.6783 -1.4638 -1.4638 8.2187 8.2187 9.0222 9.0222 11.9858 11.9858 k = 0.4500-0.5495 0.3599 ( 1416 PWs) bands (ev): -27.2300 -27.2300 -14.9742 -14.9742 -8.2652 -8.2652 -8.1514 -8.1514 -8.0336 -8.0336 -1.6737 -1.6737 -1.4621 -1.4621 8.2203 8.2203 9.0080 9.0080 11.9907 11.9907 k = 0.4437-0.5557 0.3599 ( 1416 PWs) bands (ev): -27.2314 -27.2314 -14.9760 -14.9760 -8.2721 -8.2721 -8.1460 -8.1460 -8.0264 -8.0264 -1.6685 -1.6685 -1.4601 -1.4601 8.2220 8.2220 8.9916 8.9916 11.9973 11.9973 k = 0.4375-0.5620 0.3599 ( 1416 PWs) bands (ev): -27.2330 -27.2330 -14.9780 -14.9780 -8.2794 -8.2794 -8.1399 -8.1399 -8.0188 -8.0188 -1.6627 -1.6627 -1.4578 -1.4578 8.2236 8.2236 8.9730 8.9730 12.0057 12.0057 k = 0.5637-0.4356 0.0555 ( 1410 PWs) bands (ev): -27.2334 -27.2334 -14.9774 -14.9774 -8.2047 -8.2047 -8.1840 -8.1840 -8.0569 -8.0569 -1.6530 -1.6530 -1.4462 -1.4462 8.0938 8.0938 9.1531 9.1531 12.1203 12.1203 k = 0.5611-0.4382 0.0468 ( 1409 PWs) bands (ev): -27.2328 -27.2328 -14.9752 -14.9752 -8.2076 -8.2076 -8.1846 -8.1846 -8.0595 -8.0595 -1.6570 -1.6570 -1.4445 -1.4445 8.1201 8.1201 9.1223 9.1223 12.0992 12.0992 k = 0.5585-0.4408 0.0382 ( 1410 PWs) bands (ev): -27.2322 -27.2322 -14.9730 -14.9730 -8.2105 -8.2105 -8.1851 -8.1851 -8.0619 -8.0619 -1.6604 -1.6604 -1.4434 -1.4434 8.1442 8.1442 9.0956 9.0956 12.0808 12.0808 k = 0.5558-0.4435 0.0295 ( 1408 PWs) bands (ev): -27.2317 -27.2317 -14.9710 -14.9710 -8.2134 -8.2134 -8.1857 -8.1857 -8.0641 -8.0641 -1.6632 -1.6632 -1.4428 -1.4428 8.1657 8.1657 9.0737 9.0737 12.0652 12.0652 k = 0.5532-0.4461 0.0208 ( 1412 PWs) bands (ev): -27.2311 -27.2311 -14.9691 -14.9691 -8.2161 -8.2161 -8.1863 -8.1863 -8.0661 -8.0661 -1.6655 -1.6655 -1.4428 -1.4428 8.1837 8.1837 9.0573 9.0573 12.0526 12.0526 k = 0.5506-0.4487 0.0122 ( 1410 PWs) bands (ev): -27.2306 -27.2306 -14.9673 -14.9673 -8.2186 -8.2186 -8.1870 -8.1870 -8.0678 -8.0678 -1.6672 -1.6672 -1.4433 -1.4433 8.1979 8.1979 9.0468 9.0468 12.0428 12.0428 k = 0.5480-0.4514 0.0035 ( 1415 PWs) bands (ev): -27.2301 -27.2301 -14.9656 -14.9656 -8.2208 -8.2208 -8.1878 -8.1878 -8.0694 -8.0694 -1.6683 -1.6683 -1.4443 -1.4443 8.2077 8.2077 9.0426 9.0426 12.0360 12.0360 k = 0.5453-0.4540-0.0051 ( 1413 PWs) bands (ev): -27.2297 -27.2297 -14.9641 -14.9641 -8.2229 -8.2229 -8.1887 -8.1887 -8.0707 -8.0707 -1.6688 -1.6688 -1.4459 -1.4459 8.2131 8.2131 9.0447 9.0447 12.0321 12.0321 k = 0.5427-0.4566-0.0138 ( 1415 PWs) bands (ev): -27.2292 -27.2292 -14.9627 -14.9627 -8.2246 -8.2246 -8.1896 -8.1896 -8.0719 -8.0719 -1.6688 -1.6688 -1.4482 -1.4482 8.2140 8.2140 9.0531 9.0531 12.0311 12.0311 k = 0.5401-0.4593-0.0224 ( 1415 PWs) bands (ev): -27.2288 -27.2288 -14.9614 -14.9614 -8.2261 -8.2261 -8.1906 -8.1906 -8.0728 -8.0728 -1.6683 -1.6683 -1.4510 -1.4510 8.2108 8.2108 9.0672 9.0672 12.0331 12.0331 k = 0.5374-0.4619-0.0311 ( 1412 PWs) bands (ev): -27.2284 -27.2284 -14.9603 -14.9603 -8.2274 -8.2274 -8.1916 -8.1916 -8.0737 -8.0737 -1.6671 -1.6671 -1.4543 -1.4543 8.2040 8.2040 9.0864 9.0864 12.0379 12.0379 k = 0.5348-0.4645-0.0397 ( 1412 PWs) bands (ev): -27.2280 -27.2280 -14.9594 -14.9594 -8.2283 -8.2283 -8.1925 -8.1925 -8.0743 -8.0743 -1.6655 -1.6655 -1.4582 -1.4582 8.1941 8.1941 9.1099 9.1099 12.0457 12.0457 k = 0.5322-0.4672-0.0484 ( 1410 PWs) bands (ev): -27.2277 -27.2277 -14.9585 -14.9585 -8.2290 -8.2290 -8.1935 -8.1935 -8.0749 -8.0749 -1.6633 -1.6633 -1.4626 -1.4626 8.1818 8.1818 9.1369 9.1369 12.0563 12.0563 k = 0.5295-0.4698-0.0570 ( 1412 PWs) bands (ev): -27.2273 -27.2273 -14.9579 -14.9579 -8.2295 -8.2295 -8.1944 -8.1944 -8.0753 -8.0753 -1.6606 -1.6606 -1.4676 -1.4676 8.1678 8.1678 9.1666 9.1666 12.0697 12.0697 k = 0.5269-0.4724-0.0657 ( 1412 PWs) bands (ev): -27.2270 -27.2270 -14.9574 -14.9574 -8.2297 -8.2297 -8.1952 -8.1952 -8.0756 -8.0756 -1.6573 -1.6573 -1.4730 -1.4730 8.1526 8.1526 9.1982 9.1982 12.0859 12.0859 k = 0.5243-0.4751-0.0743 ( 1408 PWs) bands (ev): -27.2267 -27.2267 -14.9570 -14.9570 -8.2296 -8.2296 -8.1960 -8.1960 -8.0758 -8.0758 -1.6536 -1.6536 -1.4789 -1.4789 8.1368 8.1368 9.2309 9.2309 12.1049 12.1049 k = 0.5217-0.4777-0.0830 ( 1409 PWs) bands (ev): -27.2265 -27.2265 -14.9568 -14.9568 -8.2293 -8.2293 -8.1967 -8.1967 -8.0760 -8.0760 -1.6495 -1.6495 -1.4853 -1.4853 8.1206 8.1206 9.2641 9.2641 12.1265 12.1265 k = 0.5190-0.4803-0.0916 ( 1411 PWs) bands (ev): -27.2262 -27.2262 -14.9568 -14.9568 -8.2287 -8.2287 -8.1972 -8.1972 -8.0761 -8.0761 -1.6449 -1.6449 -1.4920 -1.4920 8.1046 8.1046 9.2971 9.2971 12.1508 12.1508 k = 0.5164-0.4830-0.1003 ( 1411 PWs) bands (ev): -27.2260 -27.2260 -14.9569 -14.9569 -8.2280 -8.2280 -8.1977 -8.1977 -8.0762 -8.0762 -1.6399 -1.6399 -1.4991 -1.4991 8.0889 8.0889 9.3294 9.3294 12.1776 12.1776 k = 0.5138-0.4856-0.1089 ( 1413 PWs) bands (ev): -27.2258 -27.2258 -14.9571 -14.9571 -8.2271 -8.2271 -8.1980 -8.1980 -8.0762 -8.0762 -1.6345 -1.6345 -1.5065 -1.5065 8.0739 8.0739 9.3605 9.3605 12.2068 12.2068 k = 0.5111-0.4883-0.1176 ( 1411 PWs) bands (ev): -27.2256 -27.2256 -14.9574 -14.9574 -8.2259 -8.2259 -8.1983 -8.1983 -8.0762 -8.0762 -1.6288 -1.6288 -1.5142 -1.5142 8.0597 8.0597 9.3899 9.3899 12.2384 12.2385 k = 0.5085-0.4909-0.1262 ( 1413 PWs) bands (ev): -27.2255 -27.2255 -14.9578 -14.9578 -8.2247 -8.2247 -8.1983 -8.1983 -8.0762 -8.0762 -1.6229 -1.6229 -1.5220 -1.5220 8.0464 8.0464 9.4173 9.4173 12.2723 12.2723 k = 0.5059-0.4935-0.1349 ( 1414 PWs) bands (ev): -27.2254 -27.2254 -14.9584 -14.9584 -8.2233 -8.2233 -8.1983 -8.1983 -8.0761 -8.0761 -1.6167 -1.6167 -1.5300 -1.5300 8.0343 8.0343 9.4423 9.4423 12.3084 12.3084 k = 0.5032-0.4962-0.1435 ( 1414 PWs) bands (ev): -27.2253 -27.2253 -14.9590 -14.9590 -8.2219 -8.2219 -8.1981 -8.1981 -8.0759 -8.0759 -1.6103 -1.6103 -1.5380 -1.5380 8.0234 8.0234 9.4644 9.4644 12.3466 12.3466 k = 0.5006-0.4988-0.1522 ( 1416 PWs) bands (ev): -27.2252 -27.2252 -14.9598 -14.9598 -8.2204 -8.2204 -8.1977 -8.1977 -8.0758 -8.0758 -1.6040 -1.6040 -1.5458 -1.5458 8.0138 8.0138 9.4835 9.4835 12.3866 12.3866 k = 0.5006-0.4988-0.1522 ( 1416 PWs) bands (ev): -27.2252 -27.2252 -14.9598 -14.9598 -8.2204 -8.2204 -8.1977 -8.1977 -8.0758 -8.0758 -1.6040 -1.6040 -1.5458 -1.5458 8.0138 8.0138 9.4835 9.4835 12.3866 12.3866 k = 0.5006-0.4988-0.1427 ( 1412 PWs) bands (ev): -27.2253 -27.2253 -14.9593 -14.9593 -8.2217 -8.2217 -8.1965 -8.1965 -8.0770 -8.0770 -1.6114 -1.6114 -1.5373 -1.5373 8.0241 8.0241 9.4624 9.4624 12.3425 12.3425 k = 0.5005-0.4989-0.1332 ( 1412 PWs) bands (ev): -27.2253 -27.2253 -14.9588 -14.9588 -8.2233 -8.2233 -8.1949 -8.1949 -8.0784 -8.0784 -1.6190 -1.6190 -1.5287 -1.5287 8.0368 8.0368 9.4361 9.4361 12.3004 12.3004 k = 0.5005-0.4989-0.1237 ( 1411 PWs) bands (ev): -27.2253 -27.2253 -14.9584 -14.9584 -8.2250 -8.2250 -8.1931 -8.1931 -8.0798 -8.0798 -1.6263 -1.6263 -1.5203 -1.5203 8.0519 8.0519 9.4054 9.4054 12.2605 12.2605 k = 0.5005-0.4989-0.1142 ( 1409 PWs) bands (ev): -27.2253 -27.2253 -14.9580 -14.9580 -8.2268 -8.2268 -8.1910 -8.1910 -8.0812 -8.0812 -1.6334 -1.6334 -1.5121 -1.5121 8.0691 8.0691 9.3709 9.3709 12.2230 12.2230 k = 0.5004-0.4990-0.1046 ( 1409 PWs) bands (ev): -27.2254 -27.2254 -14.9576 -14.9576 -8.2286 -8.2286 -8.1889 -8.1889 -8.0827 -8.0827 -1.6402 -1.6402 -1.5044 -1.5044 8.0883 8.0883 9.3333 9.3333 12.1880 12.1880 k = 0.5004-0.4990-0.0951 ( 1411 PWs) bands (ev): -27.2254 -27.2254 -14.9572 -14.9572 -8.2304 -8.2304 -8.1867 -8.1867 -8.0842 -8.0842 -1.6466 -1.6466 -1.4970 -1.4970 8.1093 8.1093 9.2934 9.2934 12.1557 12.1557 k = 0.5003-0.4991-0.0856 ( 1408 PWs) bands (ev): -27.2254 -27.2254 -14.9568 -14.9568 -8.2320 -8.2320 -8.1846 -8.1846 -8.0857 -8.0857 -1.6525 -1.6525 -1.4902 -1.4902 8.1317 8.1317 9.2521 9.2521 12.1261 12.1261 k = 0.5003-0.4991-0.0761 ( 1406 PWs) bands (ev): -27.2254 -27.2254 -14.9565 -14.9565 -8.2336 -8.2336 -8.1825 -8.1825 -8.0871 -8.0871 -1.6579 -1.6579 -1.4839 -1.4839 8.1552 8.1552 9.2104 9.2104 12.0994 12.0994 k = 0.5003-0.4991-0.0666 ( 1406 PWs) bands (ev): -27.2254 -27.2254 -14.9562 -14.9562 -8.2350 -8.2350 -8.1805 -8.1805 -8.0885 -8.0885 -1.6628 -1.6628 -1.4783 -1.4783 8.1792 8.1792 9.1691 9.1691 12.0756 12.0756 k = 0.5002-0.4992-0.0571 ( 1406 PWs) bands (ev): -27.2254 -27.2254 -14.9560 -14.9560 -8.2362 -8.2362 -8.1787 -8.1787 -8.0898 -8.0898 -1.6670 -1.6670 -1.4733 -1.4733 8.2032 8.2032 9.1293 9.1293 12.0548 12.0548 k = 0.5002-0.4992-0.0476 ( 1408 PWs) bands (ev): -27.2255 -27.2255 -14.9558 -14.9558 -8.2373 -8.2373 -8.1771 -8.1771 -8.0909 -8.0909 -1.6707 -1.6707 -1.4691 -1.4691 8.2263 8.2263 9.0921 9.0921 12.0371 12.0371 k = 0.5002-0.4992-0.0381 ( 1412 PWs) bands (ev): -27.2255 -27.2255 -14.9556 -14.9556 -8.2382 -8.2382 -8.1757 -8.1757 -8.0920 -8.0920 -1.6738 -1.6738 -1.4655 -1.4655 8.2477 8.2477 9.0589 9.0589 12.0226 12.0226 k = 0.5001-0.4993-0.0285 ( 1408 PWs) bands (ev): -27.2255 -27.2255 -14.9554 -14.9554 -8.2389 -8.2389 -8.1745 -8.1745 -8.0928 -8.0928 -1.6762 -1.6762 -1.4627 -1.4627 8.2662 8.2662 9.0309 9.0309 12.0112 12.0112 k = 0.5001-0.4993-0.0190 ( 1408 PWs) bands (ev): -27.2255 -27.2255 -14.9553 -14.9553 -8.2394 -8.2394 -8.1737 -8.1737 -8.0934 -8.0934 -1.6779 -1.6779 -1.4608 -1.4608 8.2806 8.2806 9.0096 9.0096 12.0031 12.0031 k = 0.5000-0.4994-0.0095 ( 1410 PWs) bands (ev): -27.2255 -27.2255 -14.9553 -14.9553 -8.2397 -8.2397 -8.1732 -8.1732 -8.0938 -8.0938 -1.6789 -1.6789 -1.4596 -1.4596 8.2897 8.2897 8.9962 8.9962 11.9982 11.9982 k = 0.5000-0.4994 0.0000 ( 1412 PWs) bands (ev): -27.2255 -27.2255 -14.9553 -14.9553 -8.2398 -8.2398 -8.1730 -8.1730 -8.0939 -8.0939 -1.6793 -1.6793 -1.4591 -1.4591 8.2928 8.2928 8.9916 8.9916 11.9965 11.9965 k = 0.5000-0.4994 0.0000 ( 1412 PWs) bands (ev): -27.2255 -27.2255 -14.9553 -14.9553 -8.2398 -8.2398 -8.1730 -8.1730 -8.0939 -8.0939 -1.6793 -1.6793 -1.4591 -1.4591 8.2928 8.2928 8.9916 8.9916 11.9965 11.9965 k = 0.4932-0.4926-0.0000 ( 1412 PWs) bands (ev): -27.2256 -27.2256 -14.9554 -14.9554 -8.2406 -8.2406 -8.1727 -8.1727 -8.0931 -8.0931 -1.6789 -1.6789 -1.4590 -1.4590 8.2932 8.2932 8.9905 8.9905 11.9967 11.9967 k = 0.4865-0.4859 0.0000 ( 1410 PWs) bands (ev): -27.2259 -27.2259 -14.9558 -14.9558 -8.2429 -8.2429 -8.1716 -8.1716 -8.0906 -8.0906 -1.6779 -1.6779 -1.4586 -1.4586 8.2941 8.2941 8.9871 8.9871 11.9974 11.9974 k = 0.4797-0.4791 0.0000 ( 1410 PWs) bands (ev): -27.2264 -27.2264 -14.9564 -14.9564 -8.2467 -8.2467 -8.1699 -8.1699 -8.0866 -8.0866 -1.6761 -1.6761 -1.4579 -1.4579 8.2956 8.2956 8.9812 8.9812 11.9986 11.9986 k = 0.4730-0.4724 0.0000 ( 1410 PWs) bands (ev): -27.2270 -27.2270 -14.9573 -14.9573 -8.2517 -8.2517 -8.1674 -8.1674 -8.0813 -8.0813 -1.6736 -1.6736 -1.4569 -1.4569 8.2978 8.2978 8.9730 8.9730 12.0006 12.0006 k = 0.4662-0.4657-0.0000 ( 1410 PWs) bands (ev): -27.2279 -27.2279 -14.9584 -14.9584 -8.2577 -8.2577 -8.1642 -8.1642 -8.0750 -8.0750 -1.6704 -1.6704 -1.4557 -1.4557 8.3005 8.3005 8.9622 8.9622 12.0036 12.0036 k = 0.4595-0.4589-0.0000 ( 1412 PWs) bands (ev): -27.2290 -27.2290 -14.9598 -14.9598 -8.2646 -8.2646 -8.1601 -8.1601 -8.0678 -8.0678 -1.6665 -1.6665 -1.4542 -1.4542 8.3038 8.3038 8.9487 8.9487 12.0080 12.0080 k = 0.4527-0.4522 0.0000 ( 1410 PWs) bands (ev): -27.2302 -27.2302 -14.9614 -14.9614 -8.2722 -8.2722 -8.1553 -8.1553 -8.0599 -8.0599 -1.6620 -1.6620 -1.4524 -1.4524 8.3077 8.3077 8.9323 8.9323 12.0141 12.0141 k = 0.4459-0.4454 0.0000 ( 1406 PWs) bands (ev): -27.2316 -27.2316 -14.9633 -14.9633 -8.2804 -8.2804 -8.1497 -8.1497 -8.0514 -8.0514 -1.6567 -1.6567 -1.4502 -1.4502 8.3121 8.3121 8.9130 8.9130 12.0223 12.0223 k = 0.4392-0.4387-0.0000 ( 1410 PWs) bands (ev): -27.2332 -27.2332 -14.9654 -14.9654 -8.2890 -8.2890 -8.1433 -8.1433 -8.0425 -8.0425 -1.6508 -1.6508 -1.4478 -1.4478 8.3170 8.3170 8.8905 8.8905 12.0329 12.0329 k = 0.4324-0.4319 0.0000 ( 1410 PWs) bands (ev): -27.2350 -27.2350 -14.9677 -14.9677 -8.2979 -8.2979 -8.1362 -8.1362 -8.0331 -8.0331 -1.6442 -1.6442 -1.4451 -1.4451 8.3225 8.3225 8.8647 8.8647 12.0463 12.0463 k = 0.4257-0.4252 0.0000 ( 1404 PWs) bands (ev): -27.2369 -27.2369 -14.9703 -14.9703 -8.3071 -8.3071 -8.1283 -8.1283 -8.0234 -8.0234 -1.6369 -1.6369 -1.4420 -1.4420 8.3285 8.3285 8.8355 8.8355 12.0628 12.0628 k = 0.4189-0.4184-0.0000 ( 1404 PWs) bands (ev): -27.2391 -27.2391 -14.9731 -14.9731 -8.3166 -8.3166 -8.1197 -8.1197 -8.0135 -8.0135 -1.6290 -1.6290 -1.4386 -1.4386 8.3350 8.3350 8.8028 8.8028 12.0826 12.0826 k = 0.4122-0.4117 0.0000 ( 1406 PWs) bands (ev): -27.2414 -27.2414 -14.9761 -14.9761 -8.3262 -8.3262 -8.1105 -8.1105 -8.0032 -8.0032 -1.6205 -1.6205 -1.4349 -1.4349 8.3419 8.3419 8.7666 8.7666 12.1058 12.1058 k = 0.4054-0.4049-0.0000 ( 1407 PWs) bands (ev): -27.2439 -27.2439 -14.9794 -14.9794 -8.3359 -8.3359 -8.1005 -8.1005 -7.9928 -7.9928 -1.6113 -1.6113 -1.4309 -1.4309 8.3492 8.3492 8.7268 8.7268 12.1326 12.1326 k = 0.3986-0.3982 0.0000 ( 1403 PWs) bands (ev): -27.2465 -27.2465 -14.9828 -14.9828 -8.3458 -8.3458 -8.0898 -8.0898 -7.9821 -7.9821 -1.6016 -1.6016 -1.4265 -1.4265 8.3570 8.3570 8.6834 8.6834 12.1630 12.1630 k = 0.3919-0.3914 0.0000 ( 1405 PWs) bands (ev): -27.2493 -27.2493 -14.9865 -14.9865 -8.3557 -8.3557 -8.0785 -8.0785 -7.9712 -7.9712 -1.5913 -1.5913 -1.4217 -1.4217 8.3652 8.3652 8.6366 8.6366 12.1966 12.1966 k = 0.3851-0.3847 0.0000 ( 1409 PWs) bands (ev): -27.2522 -27.2522 -14.9904 -14.9904 -8.3657 -8.3657 -8.0666 -8.0666 -7.9600 -7.9600 -1.5804 -1.5804 -1.4166 -1.4166 8.3737 8.3737 8.5863 8.5863 12.2332 12.2332 k = 0.3784-0.3779 0.0000 ( 1413 PWs) bands (ev): -27.2553 -27.2553 -14.9945 -14.9945 -8.3757 -8.3757 -8.0540 -8.0540 -7.9487 -7.9487 -1.5690 -1.5690 -1.4111 -1.4111 8.3824 8.3824 8.5328 8.5328 12.2724 12.2724 k = 0.3716-0.3712-0.0000 ( 1413 PWs) bands (ev): -27.2586 -27.2586 -14.9988 -14.9988 -8.3857 -8.3857 -8.0409 -8.0409 -7.9372 -7.9372 -1.5570 -1.5570 -1.4052 -1.4052 8.3915 8.3915 8.4763 8.4763 12.3135 12.3135 k = 0.3649-0.3644-0.0000 ( 1415 PWs) bands (ev): -27.2620 -27.2620 -15.0032 -15.0032 -8.3958 -8.3958 -8.0271 -8.0271 -7.9254 -7.9254 -1.5445 -1.5445 -1.3989 -1.3989 8.3997 8.3997 8.4179 8.4179 12.3557 12.3557 k = 0.3581-0.3577-0.0000 ( 1413 PWs) bands (ev): -27.2655 -27.2655 -15.0079 -15.0079 -8.4058 -8.4058 -8.0128 -8.0128 -7.9134 -7.9134 -1.5315 -1.5315 -1.3923 -1.3923 8.3538 8.3538 8.4111 8.4111 12.3980 12.3980 k = 0.3514-0.3509-0.0000 ( 1411 PWs) bands (ev): -27.2691 -27.2691 -15.0127 -15.0127 -8.4158 -8.4158 -7.9980 -7.9980 -7.9012 -7.9012 -1.5181 -1.5181 -1.3852 -1.3852 8.2892 8.2892 8.4208 8.4208 12.4391 12.4391 k = 0.3446-0.3442 0.0000 ( 1407 PWs) bands (ev): -27.2728 -27.2728 -15.0176 -15.0176 -8.4258 -8.4258 -7.9827 -7.9827 -7.8887 -7.8887 -1.5042 -1.5042 -1.3777 -1.3777 8.2221 8.2221 8.4308 8.4308 12.4777 12.4777 k = 0.3378-0.3374-0.0000 ( 1403 PWs) bands (ev): -27.2767 -27.2767 -15.0227 -15.0227 -8.4358 -8.4358 -7.9669 -7.9669 -7.8761 -7.8761 -1.4899 -1.4899 -1.3698 -1.3698 8.1529 8.1529 8.4410 8.4410 12.5120 12.5120 k = 0.3311-0.3307-0.0000 ( 1403 PWs) bands (ev): -27.2807 -27.2807 -15.0280 -15.0280 -8.4457 -8.4457 -7.9506 -7.9506 -7.8632 -7.8632 -1.4752 -1.4752 -1.3614 -1.3614 8.0818 8.0818 8.4513 8.4513 12.5403 12.5403 k = 0.3243-0.3239 0.0000 ( 1403 PWs) bands (ev): -27.2847 -27.2847 -15.0334 -15.0334 -8.4556 -8.4556 -7.9339 -7.9339 -7.8500 -7.8500 -1.4601 -1.4601 -1.3527 -1.3527 8.0091 8.0091 8.4618 8.4618 12.5608 12.5608 k = 0.3176-0.3172-0.0000 ( 1399 PWs) bands (ev): -27.2889 -27.2889 -15.0389 -15.0389 -8.4655 -8.4655 -7.9168 -7.9168 -7.8366 -7.8366 -1.4447 -1.4447 -1.3435 -1.3435 7.9348 7.9348 8.4723 8.4723 12.5718 12.5718 k = 0.3108-0.3104 0.0000 ( 1395 PWs) bands (ev): -27.2931 -27.2931 -15.0446 -15.0446 -8.4752 -8.4752 -7.8994 -7.8994 -7.8230 -7.8230 -1.4290 -1.4290 -1.3339 -1.3339 7.8593 7.8593 8.4829 8.4829 12.5719 12.5719 k = 0.3041-0.3037-0.0000 ( 1395 PWs) bands (ev): -27.2975 -27.2975 -15.0504 -15.0504 -8.4849 -8.4849 -7.8816 -7.8816 -7.8091 -7.8091 -1.4130 -1.4130 -1.3239 -1.3239 7.7828 7.7828 8.4935 8.4935 12.5602 12.5602 k = 0.2973-0.2969 0.0000 ( 1397 PWs) bands (ev): -27.3019 -27.3019 -15.0562 -15.0562 -8.4946 -8.4946 -7.8635 -7.8635 -7.7949 -7.7949 -1.3967 -1.3967 -1.3135 -1.3135 7.7053 7.7053 8.5041 8.5041 12.5366 12.5366 k = 0.2905-0.2902 0.0000 ( 1397 PWs) bands (ev): -27.3063 -27.3063 -15.0622 -15.0622 -8.5041 -8.5041 -7.8451 -7.8451 -7.7806 -7.7806 -1.3803 -1.3803 -1.3027 -1.3027 7.6271 7.6271 8.5147 8.5147 12.5013 12.5013 k = 0.2838-0.2834-0.0000 ( 1395 PWs) bands (ev): -27.3108 -27.3108 -15.0682 -15.0682 -8.5135 -8.5135 -7.8264 -7.8264 -7.7659 -7.7659 -1.3636 -1.3636 -1.2915 -1.2915 7.5483 7.5483 8.5252 8.5252 12.4553 12.4553 k = 0.2770-0.2767 0.0000 ( 1393 PWs) bands (ev): -27.3153 -27.3153 -15.0743 -15.0743 -8.5229 -8.5229 -7.8076 -7.8076 -7.7510 -7.7510 -1.3468 -1.3468 -1.2798 -1.2798 7.4692 7.4692 8.5358 8.5358 12.3998 12.3998 k = 0.2703-0.2699-0.0000 ( 1399 PWs) bands (ev): -27.3199 -27.3199 -15.0804 -15.0804 -8.5321 -8.5321 -7.7886 -7.7886 -7.7358 -7.7358 -1.3299 -1.3299 -1.2679 -1.2679 7.3898 7.3898 8.5461 8.5461 12.3363 12.3363 k = 0.2635-0.2632 0.0000 ( 1399 PWs) bands (ev): -27.3246 -27.3246 -15.0866 -15.0866 -8.5413 -8.5413 -7.7694 -7.7694 -7.7204 -7.7204 -1.3129 -1.3129 -1.2555 -1.2555 7.3103 7.3103 8.5564 8.5564 12.2662 12.2662 k = 0.2568-0.2564-0.0000 ( 1409 PWs) bands (ev): -27.3292 -27.3292 -15.0929 -15.0929 -8.5503 -8.5503 -7.7502 -7.7502 -7.7048 -7.7048 -1.2958 -1.2958 -1.2427 -1.2427 7.2308 7.2308 8.5665 8.5665 12.1909 12.1909 k = 0.2500-0.2497 0.0000 ( 1411 PWs) bands (ev): -27.3339 -27.3339 -15.0991 -15.0991 -8.5593 -8.5593 -7.7309 -7.7309 -7.6890 -7.6890 -1.2788 -1.2788 -1.2296 -1.2296 7.1514 7.1514 8.5765 8.5765 12.1116 12.1116 k = 0.2432-0.2429-0.0000 ( 1411 PWs) bands (ev): -27.3385 -27.3385 -15.1054 -15.1054 -8.5681 -8.5681 -7.7116 -7.7116 -7.6729 -7.6729 -1.2617 -1.2617 -1.2162 -1.2162 7.0724 7.0724 8.5864 8.5864 12.0294 12.0294 k = 0.2365-0.2362-0.0000 ( 1411 PWs) bands (ev): -27.3432 -27.3432 -15.1117 -15.1117 -8.5767 -8.5767 -7.6923 -7.6923 -7.6566 -7.6566 -1.2447 -1.2447 -1.2024 -1.2024 6.9937 6.9937 8.5961 8.5961 11.9453 11.9453 k = 0.2297-0.2295-0.0000 ( 1409 PWs) bands (ev): -27.3478 -27.3478 -15.1179 -15.1179 -8.5853 -8.5853 -7.6731 -7.6731 -7.6401 -7.6401 -1.2278 -1.2278 -1.1883 -1.1883 6.9156 6.9156 8.6056 8.6056 11.8600 11.8600 k = 0.2230-0.2227-0.0000 ( 1409 PWs) bands (ev): -27.3525 -27.3525 -15.1241 -15.1241 -8.5936 -8.5936 -7.6540 -7.6540 -7.6234 -7.6234 -1.2110 -1.2110 -1.1740 -1.1740 6.8381 6.8381 8.6149 8.6149 11.7742 11.7742 k = 0.2162-0.2160-0.0000 ( 1413 PWs) bands (ev): -27.3570 -27.3570 -15.1303 -15.1303 -8.6019 -8.6019 -7.6350 -7.6350 -7.6065 -7.6065 -1.1944 -1.1944 -1.1594 -1.1594 6.7613 6.7613 8.6240 8.6240 11.6884 11.6884 k = 0.2095-0.2092-0.0000 ( 1415 PWs) bands (ev): -27.3616 -27.3616 -15.1365 -15.1365 -8.6100 -8.6100 -7.6163 -7.6163 -7.5895 -7.5895 -1.1780 -1.1780 -1.1446 -1.1446 6.6854 6.6854 8.6329 8.6329 11.6032 11.6032 k = 0.2027-0.2025 0.0000 ( 1417 PWs) bands (ev): -27.3661 -27.3661 -15.1426 -15.1426 -8.6179 -8.6179 -7.5977 -7.5977 -7.5724 -7.5724 -1.1617 -1.1617 -1.1297 -1.1297 6.6104 6.6104 8.6415 8.6415 11.5190 11.5190 k = 0.1959-0.1957-0.0000 ( 1415 PWs) bands (ev): -27.3705 -27.3705 -15.1486 -15.1486 -8.6256 -8.6256 -7.5794 -7.5794 -7.5552 -7.5552 -1.1457 -1.1457 -1.1147 -1.1147 6.5365 6.5365 8.6500 8.6500 11.4361 11.4361 k = 0.1892-0.1890 0.0000 ( 1415 PWs) bands (ev): -27.3749 -27.3749 -15.1546 -15.1546 -8.6332 -8.6332 -7.5614 -7.5614 -7.5380 -7.5380 -1.1299 -1.1299 -1.0996 -1.0996 6.4638 6.4638 8.6581 8.6581 11.3547 11.3547 k = 0.1824-0.1822-0.0000 ( 1415 PWs) bands (ev): -27.3793 -27.3793 -15.1604 -15.1604 -8.6406 -8.6406 -7.5436 -7.5436 -7.5207 -7.5207 -1.1143 -1.1143 -1.0845 -1.0845 6.3923 6.3923 8.6660 8.6660 11.2752 11.2752 k = 0.1757-0.1755 0.0000 ( 1413 PWs) bands (ev): -27.3835 -27.3835 -15.1662 -15.1662 -8.6478 -8.6478 -7.5262 -7.5262 -7.5036 -7.5036 -1.0990 -1.0990 -1.0694 -1.0694 6.3223 6.3223 8.6736 8.6736 11.1977 11.1977 k = 0.1689-0.1687-0.0000 ( 1413 PWs) bands (ev): -27.3877 -27.3877 -15.1718 -15.1718 -8.6548 -8.6548 -7.5090 -7.5090 -7.4866 -7.4866 -1.0839 -1.0839 -1.0545 -1.0545 6.2537 6.2537 8.6810 8.6810 11.1224 11.1224 k = 0.1622-0.1620 0.0000 ( 1403 PWs) bands (ev): -27.3917 -27.3917 -15.1774 -15.1774 -8.6616 -8.6616 -7.4922 -7.4922 -7.4698 -7.4698 -1.0691 -1.0691 -1.0397 -1.0397 6.1867 6.1867 8.6882 8.6882 11.0495 11.0495 k = 0.1554-0.1552-0.0000 ( 1403 PWs) bands (ev): -27.3957 -27.3957 -15.1827 -15.1827 -8.6681 -8.6681 -7.4758 -7.4758 -7.4532 -7.4532 -1.0546 -1.0546 -1.0252 -1.0252 6.1215 6.1215 8.6950 8.6950 10.9791 10.9791 k = 0.1486-0.1485 0.0000 ( 1403 PWs) bands (ev): -27.3995 -27.3995 -15.1880 -15.1880 -8.6745 -8.6745 -7.4597 -7.4597 -7.4370 -7.4370 -1.0404 -1.0404 -1.0110 -1.0110 6.0580 6.0580 8.7015 8.7016 10.9113 10.9113 k = 0.1419-0.1417-0.0000 ( 1407 PWs) bands (ev): -27.4032 -27.4032 -15.1931 -15.1931 -8.6807 -8.6807 -7.4440 -7.4440 -7.4211 -7.4211 -1.0265 -1.0265 -0.9971 -0.9971 5.9965 5.9965 8.7078 8.7078 10.8461 10.8461 k = 0.1351-0.1350 0.0000 ( 1411 PWs) bands (ev): -27.4069 -27.4069 -15.1980 -15.1980 -8.6866 -8.6866 -7.4287 -7.4287 -7.4057 -7.4057 -1.0131 -1.0131 -0.9835 -0.9835 5.9369 5.9369 8.7137 8.7137 10.7837 10.7837 k = 0.1284-0.1282-0.0000 ( 1413 PWs) bands (ev): -27.4103 -27.4103 -15.2027 -15.2027 -8.6922 -8.6922 -7.4139 -7.4139 -7.3907 -7.3907 -1.0000 -1.0000 -0.9704 -0.9704 5.8795 5.8795 8.7194 8.7194 10.7242 10.7242 k = 0.1216-0.1215-0.0000 ( 1411 PWs) bands (ev): -27.4137 -27.4137 -15.2073 -15.2073 -8.6977 -8.6977 -7.3996 -7.3996 -7.3762 -7.3762 -0.9873 -0.9873 -0.9576 -0.9576 5.8244 5.8244 8.7247 8.7247 10.6675 10.6675 k = 0.1149-0.1147 0.0000 ( 1413 PWs) bands (ev): -27.4169 -27.4169 -15.2117 -15.2117 -8.7029 -8.7029 -7.3858 -7.3858 -7.3622 -7.3622 -0.9751 -0.9751 -0.9454 -0.9454 5.7715 5.7715 8.7298 8.7298 10.6138 10.6138 k = 0.1081-0.1080-0.0000 ( 1413 PWs) bands (ev): -27.4199 -27.4199 -15.2158 -15.2158 -8.7078 -8.7078 -7.3725 -7.3725 -7.3489 -7.3489 -0.9635 -0.9635 -0.9337 -0.9337 5.7211 5.7211 8.7346 8.7346 10.5630 10.5630 k = 0.1014-0.1012 0.0000 ( 1417 PWs) bands (ev): -27.4228 -27.4228 -15.2198 -15.2198 -8.7124 -8.7124 -7.3598 -7.3598 -7.3361 -7.3361 -0.9523 -0.9523 -0.9225 -0.9225 5.6731 5.6731 8.7391 8.7391 10.5152 10.5152 k = 0.0946-0.0945 0.0000 ( 1417 PWs) bands (ev): -27.4256 -27.4256 -15.2235 -15.2235 -8.7168 -8.7168 -7.3478 -7.3478 -7.3240 -7.3240 -0.9417 -0.9417 -0.9118 -0.9118 5.6278 5.6278 8.7433 8.7433 10.4705 10.4705 k = 0.0878-0.0877 0.0000 ( 1417 PWs) bands (ev): -27.4281 -27.4281 -15.2271 -15.2271 -8.7209 -8.7209 -7.3364 -7.3364 -7.3126 -7.3126 -0.9317 -0.9317 -0.9017 -0.9017 5.5852 5.5852 8.7472 8.7472 10.4288 10.4288 k = 0.0811-0.0810 0.0000 ( 1417 PWs) bands (ev): -27.4305 -27.4305 -15.2304 -15.2304 -8.7248 -8.7248 -7.3257 -7.3257 -7.3018 -7.3018 -0.9223 -0.9223 -0.8923 -0.8923 5.5454 5.5454 8.7508 8.7508 10.3902 10.3902 k = 0.0743-0.0742 0.0000 ( 1415 PWs) bands (ev): -27.4328 -27.4328 -15.2334 -15.2334 -8.7283 -8.7283 -7.3157 -7.3157 -7.2918 -7.2918 -0.9135 -0.9135 -0.8835 -0.8835 5.5084 5.5084 8.7542 8.7542 10.3546 10.3546 k = 0.0676-0.0675 0.0000 ( 1415 PWs) bands (ev): -27.4348 -27.4348 -15.2362 -15.2362 -8.7315 -8.7315 -7.3065 -7.3065 -7.2826 -7.2826 -0.9055 -0.9055 -0.8754 -0.8754 5.4744 5.4744 8.7572 8.7572 10.3221 10.3221 k = 0.0608-0.0607-0.0000 ( 1413 PWs) bands (ev): -27.4367 -27.4367 -15.2388 -15.2388 -8.7345 -8.7345 -7.2981 -7.2981 -7.2741 -7.2741 -0.8981 -0.8981 -0.8680 -0.8680 5.4434 5.4434 8.7600 8.7600 10.2927 10.2927 k = 0.0541-0.0540-0.0000 ( 1413 PWs) bands (ev): -27.4384 -27.4384 -15.2410 -15.2410 -8.7372 -8.7372 -7.2904 -7.2904 -7.2665 -7.2665 -0.8914 -0.8914 -0.8613 -0.8613 5.4155 5.4155 8.7624 8.7624 10.2664 10.2664 k = 0.0473-0.0472 0.0000 ( 1413 PWs) bands (ev): -27.4398 -27.4398 -15.2431 -15.2431 -8.7395 -8.7395 -7.2837 -7.2837 -7.2597 -7.2597 -0.8855 -0.8855 -0.8553 -0.8553 5.3907 5.3907 8.7646 8.7646 10.2432 10.2432 k = 0.0405-0.0405 0.0000 ( 1411 PWs) bands (ev): -27.4411 -27.4411 -15.2449 -15.2449 -8.7415 -8.7415 -7.2778 -7.2778 -7.2538 -7.2538 -0.8804 -0.8804 -0.8501 -0.8501 5.3691 5.3691 8.7665 8.7665 10.2231 10.2231 k = 0.0338-0.0337-0.0000 ( 1411 PWs) bands (ev): -27.4422 -27.4422 -15.2464 -15.2464 -8.7433 -8.7433 -7.2728 -7.2728 -7.2488 -7.2488 -0.8760 -0.8760 -0.8456 -0.8456 5.3507 5.3507 8.7681 8.7681 10.2061 10.2061 k = 0.0270-0.0270 0.0000 ( 1411 PWs) bands (ev): -27.4431 -27.4431 -15.2476 -15.2476 -8.7447 -8.7447 -7.2686 -7.2686 -7.2446 -7.2446 -0.8724 -0.8724 -0.8419 -0.8419 5.3356 5.3356 8.7694 8.7694 10.1922 10.1922 k = 0.0203-0.0202 0.0000 ( 1409 PWs) bands (ev): -27.4438 -27.4438 -15.2486 -15.2486 -8.7458 -8.7458 -7.2654 -7.2654 -7.2414 -7.2414 -0.8695 -0.8695 -0.8391 -0.8391 5.3239 5.3239 8.7704 8.7704 10.1813 10.1813 k = 0.0135-0.0135-0.0000 ( 1405 PWs) bands (ev): -27.4443 -27.4443 -15.2493 -15.2493 -8.7466 -8.7466 -7.2631 -7.2631 -7.2390 -7.2390 -0.8675 -0.8675 -0.8370 -0.8370 5.3155 5.3155 8.7711 8.7711 10.1736 10.1736 k = 0.0068-0.0067-0.0000 ( 1405 PWs) bands (ev): -27.4446 -27.4446 -15.2497 -15.2497 -8.7471 -8.7471 -7.2617 -7.2617 -7.2376 -7.2376 -0.8663 -0.8663 -0.8358 -0.8358 5.3104 5.3104 8.7715 8.7715 10.1689 10.1689 k = 0.0000 0.0000 0.0000 ( 1407 PWs) bands (ev): -27.4447 -27.4447 -15.2498 -15.2498 -8.7473 -8.7473 -7.2613 -7.2613 -7.2372 -7.2372 -0.8659 -0.8659 -0.8354 -0.8354 5.3087 5.3087 8.7717 8.7717 10.1674 10.1674 k = 0.0000 0.0000 0.0000 ( 1407 PWs) bands (ev): -27.4447 -27.4447 -15.2498 -15.2498 -8.7473 -8.7473 -7.2613 -7.2613 -7.2372 -7.2372 -0.8659 -0.8659 -0.8354 -0.8354 5.3087 5.3087 8.7717 8.7717 10.1674 10.1674 k = 0.0091 0.0000-0.0028 ( 1404 PWs) bands (ev): -27.4447 -27.4447 -15.2497 -15.2497 -8.7470 -8.7470 -7.2617 -7.2617 -7.2376 -7.2376 -0.8662 -0.8662 -0.8357 -0.8357 5.3102 5.3102 8.7713 8.7713 10.1683 10.1683 k = 0.0182 0.0000-0.0055 ( 1405 PWs) bands (ev): -27.4444 -27.4444 -15.2494 -15.2494 -8.7464 -8.7464 -7.2631 -7.2631 -7.2387 -7.2387 -0.8674 -0.8674 -0.8367 -0.8367 5.3145 5.3145 8.7700 8.7700 10.1711 10.1711 k = 0.0273 0.0000-0.0083 ( 1403 PWs) bands (ev): -27.4439 -27.4439 -15.2489 -15.2489 -8.7454 -8.7454 -7.2659 -7.2659 -7.2402 -7.2402 -0.8695 -0.8695 -0.8380 -0.8380 5.3217 5.3217 8.7679 8.7679 10.1757 10.1757 k = 0.0364 0.0000-0.0111 ( 1407 PWs) bands (ev): -27.4433 -27.4433 -15.2482 -15.2482 -8.7440 -8.7440 -7.2706 -7.2706 -7.2415 -7.2415 -0.8730 -0.8730 -0.8394 -0.8394 5.3318 5.3318 8.7650 8.7650 10.1821 10.1821 k = 0.0455 0.0001-0.0138 ( 1410 PWs) bands (ev): -27.4425 -27.4425 -15.2472 -15.2472 -8.7422 -8.7422 -7.2773 -7.2773 -7.2424 -7.2424 -0.8782 -0.8782 -0.8405 -0.8405 5.3447 5.3447 8.7614 8.7614 10.1903 10.1903 k = 0.0545 0.0001-0.0166 ( 1410 PWs) bands (ev): -27.4415 -27.4415 -15.2461 -15.2461 -8.7400 -8.7400 -7.2863 -7.2863 -7.2426 -7.2426 -0.8851 -0.8851 -0.8411 -0.8411 5.3604 5.3604 8.7571 8.7571 10.2003 10.2003 k = 0.0636 0.0001-0.0194 ( 1411 PWs) bands (ev): -27.4403 -27.4403 -15.2448 -15.2448 -8.7374 -8.7374 -7.2974 -7.2974 -7.2424 -7.2424 -0.8939 -0.8939 -0.8412 -0.8412 5.3788 5.3788 8.7523 8.7523 10.2121 10.2121 k = 0.0727 0.0001-0.0221 ( 1411 PWs) bands (ev): -27.4389 -27.4389 -15.2433 -15.2433 -8.7345 -8.7345 -7.3103 -7.3103 -7.2418 -7.2418 -0.9044 -0.9044 -0.8408 -0.8408 5.4000 5.4000 8.7471 8.7471 10.2255 10.2255 k = 0.0818 0.0001-0.0249 ( 1412 PWs) bands (ev): -27.4374 -27.4374 -15.2416 -15.2416 -8.7312 -8.7312 -7.3251 -7.3251 -7.2408 -7.2408 -0.9165 -0.9165 -0.8400 -0.8400 5.4238 5.4238 8.7414 8.7414 10.2407 10.2407 k = 0.0909 0.0001-0.0277 ( 1411 PWs) bands (ev): -27.4358 -27.4358 -15.2397 -15.2397 -8.7275 -8.7275 -7.3416 -7.3416 -7.2396 -7.2396 -0.9302 -0.9302 -0.8389 -0.8389 5.4501 5.4501 8.7356 8.7356 10.2574 10.2574 k = 0.1000 0.0001-0.0304 ( 1411 PWs) bands (ev): -27.4339 -27.4339 -15.2376 -15.2376 -8.7235 -8.7235 -7.3597 -7.3597 -7.2382 -7.2382 -0.9453 -0.9453 -0.8374 -0.8374 5.4790 5.4790 8.7296 8.7296 10.2758 10.2758 k = 0.1091 0.0001-0.0332 ( 1408 PWs) bands (ev): -27.4319 -27.4319 -15.2353 -15.2353 -8.7191 -8.7191 -7.3792 -7.3792 -7.2365 -7.2365 -0.9617 -0.9617 -0.8357 -0.8357 5.5104 5.5104 8.7236 8.7236 10.2958 10.2958 k = 0.1182 0.0001-0.0360 ( 1409 PWs) bands (ev): -27.4298 -27.4298 -15.2329 -15.2329 -8.7145 -8.7145 -7.4001 -7.4001 -7.2347 -7.2347 -0.9794 -0.9794 -0.8338 -0.8338 5.5441 5.5441 8.7177 8.7177 10.3173 10.3173 k = 0.1273 0.0002-0.0387 ( 1405 PWs) bands (ev): -27.4275 -27.4275 -15.2304 -15.2304 -8.7095 -8.7095 -7.4223 -7.4223 -7.2328 -7.2328 -0.9982 -0.9982 -0.8317 -0.8317 5.5801 5.5801 8.7120 8.7120 10.3403 10.3403 k = 0.1364 0.0002-0.0415 ( 1407 PWs) bands (ev): -27.4251 -27.4251 -15.2276 -15.2276 -8.7042 -8.7042 -7.4458 -7.4458 -7.2307 -7.2307 -1.0182 -1.0182 -0.8295 -0.8295 5.6183 5.6183 8.7065 8.7065 10.3648 10.3648 k = 0.1455 0.0002-0.0443 ( 1403 PWs) bands (ev): -27.4226 -27.4226 -15.2248 -15.2248 -8.6987 -8.6987 -7.4703 -7.4703 -7.2285 -7.2285 -1.0391 -1.0391 -0.8270 -0.8270 5.6586 5.6586 8.7015 8.7015 10.3908 10.3908 k = 0.1545 0.0002-0.0470 ( 1404 PWs) bands (ev): -27.4200 -27.4200 -15.2218 -15.2218 -8.6929 -8.6929 -7.4958 -7.4958 -7.2262 -7.2262 -1.0609 -1.0609 -0.8245 -0.8245 5.7009 5.7009 8.6970 8.6970 10.4182 10.4182 k = 0.1636 0.0002-0.0498 ( 1402 PWs) bands (ev): -27.4172 -27.4172 -15.2187 -15.2187 -8.6868 -8.6868 -7.5222 -7.5222 -7.2237 -7.2237 -1.0836 -1.0836 -0.8218 -0.8218 5.7451 5.7451 8.6931 8.6931 10.4470 10.4470 k = 0.1727 0.0002-0.0526 ( 1401 PWs) bands (ev): -27.4144 -27.4144 -15.2154 -15.2154 -8.6806 -8.6806 -7.5495 -7.5495 -7.2212 -7.2212 -1.1070 -1.1070 -0.8190 -0.8190 5.7911 5.7911 8.6900 8.6900 10.4772 10.4772 k = 0.1818 0.0002-0.0553 ( 1402 PWs) bands (ev): -27.4115 -27.4115 -15.2121 -15.2121 -8.6741 -8.6741 -7.5774 -7.5774 -7.2185 -7.2185 -1.1312 -1.1312 -0.8161 -0.8161 5.8388 5.8388 8.6876 8.6876 10.5088 10.5088 k = 0.1909 0.0002-0.0581 ( 1400 PWs) bands (ev): -27.4085 -27.4085 -15.2087 -15.2087 -8.6675 -8.6675 -7.6060 -7.6060 -7.2158 -7.2158 -1.1558 -1.1558 -0.8131 -0.8131 5.8881 5.8881 8.6861 8.6861 10.5417 10.5417 k = 0.2000 0.0002-0.0609 ( 1401 PWs) bands (ev): -27.4054 -27.4054 -15.2051 -15.2051 -8.6607 -8.6607 -7.6351 -7.6351 -7.2130 -7.2130 -1.1810 -1.1810 -0.8100 -0.8100 5.9389 5.9389 8.6855 8.6855 10.5758 10.5758 k = 0.2091 0.0003-0.0636 ( 1402 PWs) bands (ev): -27.4022 -27.4022 -15.2015 -15.2015 -8.6537 -8.6537 -7.6646 -7.6646 -7.2102 -7.2102 -1.2066 -1.2066 -0.8069 -0.8069 5.9910 5.9910 8.6860 8.6860 10.6112 10.6112 k = 0.2182 0.0003-0.0664 ( 1403 PWs) bands (ev): -27.3991 -27.3991 -15.1979 -15.1979 -8.6466 -8.6466 -7.6944 -7.6944 -7.2073 -7.2073 -1.2325 -1.2325 -0.8037 -0.8037 6.0444 6.0444 8.6876 8.6876 10.6478 10.6478 k = 0.2273 0.0003-0.0692 ( 1403 PWs) bands (ev): -27.3958 -27.3958 -15.1942 -15.1942 -8.6394 -8.6394 -7.7244 -7.7244 -7.2044 -7.2044 -1.2586 -1.2586 -0.8005 -0.8005 6.0988 6.0988 8.6904 8.6904 10.6855 10.6855 k = 0.2364 0.0003-0.0719 ( 1406 PWs) bands (ev): -27.3926 -27.3926 -15.1904 -15.1904 -8.6322 -8.6322 -7.7545 -7.7545 -7.2015 -7.2015 -1.2849 -1.2849 -0.7972 -0.7972 6.1543 6.1543 8.6945 8.6945 10.7242 10.7242 k = 0.2455 0.0003-0.0747 ( 1410 PWs) bands (ev): -27.3893 -27.3893 -15.1867 -15.1867 -8.6248 -8.6248 -7.7846 -7.7846 -7.1985 -7.1985 -1.3112 -1.3112 -0.7939 -0.7939 6.2106 6.2106 8.6999 8.6999 10.7639 10.7639 k = 0.2545 0.0003-0.0775 ( 1411 PWs) bands (ev): -27.3860 -27.3860 -15.1829 -15.1829 -8.6175 -8.6175 -7.8147 -7.8147 -7.1955 -7.1955 -1.3375 -1.3375 -0.7906 -0.7906 6.2676 6.2676 8.7067 8.7067 10.8043 10.8043 k = 0.2636 0.0003-0.0803 ( 1410 PWs) bands (ev): -27.3827 -27.3827 -15.1791 -15.1791 -8.6101 -8.6101 -7.8445 -7.8445 -7.1925 -7.1925 -1.3637 -1.3637 -0.7873 -0.7873 6.3251 6.3251 8.7151 8.7151 10.8454 10.8454 k = 0.2727 0.0003-0.0830 ( 1408 PWs) bands (ev): -27.3794 -27.3794 -15.1753 -15.1753 -8.6027 -8.6027 -7.8741 -7.8741 -7.1896 -7.1896 -1.3896 -1.3896 -0.7840 -0.7840 6.3830 6.3830 8.7251 8.7251 10.8869 10.8869 k = 0.2818 0.0003-0.0858 ( 1407 PWs) bands (ev): -27.3762 -27.3762 -15.1715 -15.1715 -8.5953 -8.5953 -7.9034 -7.9034 -7.1866 -7.1866 -1.4153 -1.4153 -0.7808 -0.7808 6.4412 6.4412 8.7368 8.7368 10.9285 10.9285 k = 0.2909 0.0004-0.0886 ( 1410 PWs) bands (ev): -27.3730 -27.3730 -15.1678 -15.1678 -8.5879 -8.5879 -7.9323 -7.9323 -7.1837 -7.1837 -1.4406 -1.4406 -0.7775 -0.7775 6.4994 6.4994 8.7502 8.7502 10.9697 10.9697 k = 0.3000 0.0004-0.0913 ( 1412 PWs) bands (ev): -27.3698 -27.3698 -15.1641 -15.1641 -8.5806 -8.5806 -7.9606 -7.9606 -7.1809 -7.1809 -1.4654 -1.4654 -0.7744 -0.7744 6.5574 6.5574 8.7657 8.7657 11.0101 11.0101 k = 0.3091 0.0004-0.0941 ( 1414 PWs) bands (ev): -27.3667 -27.3667 -15.1605 -15.1605 -8.5734 -8.5734 -7.9883 -7.9883 -7.1780 -7.1780 -1.4897 -1.4897 -0.7713 -0.7713 6.6151 6.6151 8.7831 8.7831 11.0487 11.0487 k = 0.3182 0.0004-0.0969 ( 1416 PWs) bands (ev): -27.3636 -27.3636 -15.1570 -15.1570 -8.5662 -8.5662 -8.0154 -8.0154 -7.1753 -7.1753 -1.5135 -1.5135 -0.7682 -0.7682 6.6723 6.6723 8.8027 8.8027 11.0845 11.0845 k = 0.3273 0.0004-0.0996 ( 1420 PWs) bands (ev): -27.3607 -27.3607 -15.1535 -15.1535 -8.5592 -8.5592 -8.0417 -8.0417 -7.1726 -7.1726 -1.5365 -1.5365 -0.7652 -0.7652 6.7286 6.7286 8.8247 8.8247 11.1159 11.1159 k = 0.3364 0.0004-0.1024 ( 1424 PWs) bands (ev): -27.3578 -27.3578 -15.1502 -15.1502 -8.5523 -8.5523 -8.0673 -8.0673 -7.1700 -7.1700 -1.5589 -1.5589 -0.7623 -0.7623 6.7840 6.7840 8.8491 8.8491 11.1408 11.1408 k = 0.3455 0.0004-0.1052 ( 1423 PWs) bands (ev): -27.3550 -27.3550 -15.1469 -15.1469 -8.5455 -8.5455 -8.0920 -8.0920 -7.1675 -7.1675 -1.5804 -1.5804 -0.7595 -0.7595 6.8381 6.8381 8.8762 8.8762 11.1562 11.1562 k = 0.3545 0.0004-0.1079 ( 1423 PWs) bands (ev): -27.3523 -27.3523 -15.1438 -15.1438 -8.5388 -8.5388 -8.1158 -8.1158 -7.1650 -7.1650 -1.6010 -1.6010 -0.7568 -0.7568 6.8907 6.8907 8.9060 8.9060 11.1588 11.1588 k = 0.3636 0.0004-0.1107 ( 1420 PWs) bands (ev): -27.3497 -27.3497 -15.1408 -15.1408 -8.5323 -8.5323 -8.1386 -8.1386 -7.1627 -7.1627 -1.6206 -1.6206 -0.7542 -0.7542 6.9415 6.9415 8.9388 8.9388 11.1453 11.1453 k = 0.3727 0.0005-0.1135 ( 1421 PWs) bands (ev): -27.3473 -27.3473 -15.1379 -15.1379 -8.5260 -8.5260 -8.1603 -8.1603 -7.1605 -7.1605 -1.6394 -1.6394 -0.7518 -0.7518 6.9904 6.9904 8.9747 8.9747 11.1135 11.1135 k = 0.3818 0.0005-0.1162 ( 1422 PWs) bands (ev): -27.3450 -27.3450 -15.1352 -15.1352 -8.5198 -8.5198 -8.1810 -8.1810 -7.1584 -7.1584 -1.6570 -1.6570 -0.7494 -0.7494 7.0369 7.0369 9.0138 9.0138 11.0637 11.0637 k = 0.3909 0.0005-0.1190 ( 1424 PWs) bands (ev): -27.3428 -27.3428 -15.1326 -15.1326 -8.5138 -8.5138 -8.2006 -8.2006 -7.1564 -7.1564 -1.6736 -1.6736 -0.7473 -0.7473 7.0810 7.0810 9.0563 9.0563 10.9984 10.9984 k = 0.4000 0.0005-0.1218 ( 1423 PWs) bands (ev): -27.3407 -27.3407 -15.1302 -15.1302 -8.5081 -8.5081 -8.2190 -8.2190 -7.1545 -7.1545 -1.6890 -1.6890 -0.7452 -0.7452 7.1223 7.1223 9.1023 9.1023 10.9210 10.9210 k = 0.4091 0.0005-0.1245 ( 1423 PWs) bands (ev): -27.3389 -27.3389 -15.1280 -15.1280 -8.5025 -8.5025 -8.2362 -8.2362 -7.1528 -7.1528 -1.7032 -1.7032 -0.7433 -0.7433 7.1607 7.1607 9.1519 9.1519 10.8351 10.8351 k = 0.4182 0.0005-0.1273 ( 1422 PWs) bands (ev): -27.3371 -27.3371 -15.1260 -15.1260 -8.4972 -8.4972 -8.2521 -8.2521 -7.1513 -7.1513 -1.7162 -1.7162 -0.7416 -0.7416 7.1959 7.1959 9.2050 9.2050 10.7437 10.7437 k = 0.4273 0.0005-0.1301 ( 1422 PWs) bands (ev): -27.3356 -27.3356 -15.1242 -15.1242 -8.4921 -8.4921 -8.2667 -8.2667 -7.1499 -7.1499 -1.7279 -1.7279 -0.7401 -0.7401 7.2278 7.2278 9.2617 9.2617 10.6491 10.6491 k = 0.4364 0.0005-0.1328 ( 1421 PWs) bands (ev): -27.3342 -27.3342 -15.1225 -15.1225 -8.4874 -8.4874 -8.2799 -8.2799 -7.1486 -7.1486 -1.7384 -1.7384 -0.7387 -0.7387 7.2563 7.2563 9.3219 9.3219 10.5529 10.5529 k = 0.4455 0.0005-0.1356 ( 1421 PWs) bands (ev): -27.3330 -27.3330 -15.1211 -15.1211 -8.4830 -8.4830 -8.2917 -8.2917 -7.1475 -7.1475 -1.7475 -1.7475 -0.7375 -0.7375 7.2811 7.2811 9.3853 9.3853 10.4566 10.4566 k = 0.4545 0.0006-0.1384 ( 1422 PWs) bands (ev): -27.3319 -27.3319 -15.1199 -15.1199 -8.4790 -8.4790 -8.3020 -8.3020 -7.1466 -7.1466 -1.7552 -1.7552 -0.7364 -0.7364 7.3023 7.3023 9.4517 9.4517 10.3613 10.3613 k = 0.4636 0.0006-0.1411 ( 1425 PWs) bands (ev): -27.3311 -27.3311 -15.1189 -15.1189 -8.4755 -8.4755 -8.3106 -8.3106 -7.1458 -7.1458 -1.7616 -1.7616 -0.7356 -0.7356 7.3196 7.3196 9.5203 9.5203 10.2684 10.2684 k = 0.4727 0.0006-0.1439 ( 1422 PWs) bands (ev): -27.3304 -27.3304 -15.1181 -15.1181 -8.4726 -8.4726 -8.3175 -8.3175 -7.1452 -7.1452 -1.7666 -1.7666 -0.7349 -0.7349 7.3332 7.3332 9.5899 9.5899 10.1796 10.1796 k = 0.4818 0.0006-0.1467 ( 1419 PWs) bands (ev): -27.3299 -27.3299 -15.1175 -15.1175 -8.4705 -8.4705 -8.3225 -8.3225 -7.1448 -7.1448 -1.7701 -1.7701 -0.7345 -0.7345 7.3430 7.3430 9.6572 9.6572 10.0984 10.0984 k = 0.4909 0.0006-0.1494 ( 1419 PWs) bands (ev): -27.3296 -27.3296 -15.1172 -15.1172 -8.4691 -8.4691 -8.3256 -8.3256 -7.1445 -7.1445 -1.7723 -1.7723 -0.7342 -0.7342 7.3488 7.3488 9.7138 9.7138 10.0334 10.0334 k = 0.5000 0.0006-0.1522 ( 1418 PWs) bands (ev): -27.3295 -27.3295 -15.1171 -15.1171 -8.4687 -8.4687 -8.3267 -8.3267 -7.1444 -7.1444 -1.7730 -1.7730 -0.7341 -0.7341 7.3508 7.3508 9.7388 9.7388 10.0056 10.0056 k = 0.5000 0.0006 0.2077 ( 1406 PWs) bands (ev): -27.3272 -27.3272 -15.1602 -15.1602 -8.4520 -8.4520 -8.2208 -8.2208 -7.1508 -7.1508 -1.8407 -1.8407 -0.7152 -0.7152 7.1704 7.1704 9.8100 9.8100 10.0811 10.0811 k = 0.4912 0.0006 0.2040 ( 1405 PWs) bands (ev): -27.3273 -27.3273 -15.1603 -15.1603 -8.4520 -8.4520 -8.2204 -8.2204 -7.1509 -7.1509 -1.8400 -1.8400 -0.7154 -0.7154 7.1690 7.1690 9.7870 9.7870 10.1046 10.1046 k = 0.4825 0.0006 0.2004 ( 1406 PWs) bands (ev): -27.3276 -27.3276 -15.1605 -15.1605 -8.4520 -8.4520 -8.2190 -8.2190 -7.1511 -7.1511 -1.8379 -1.8379 -0.7157 -0.7157 7.1649 7.1649 9.7328 9.7328 10.1597 10.1597 k = 0.4737 0.0006 0.1967 ( 1406 PWs) bands (ev): -27.3280 -27.3280 -15.1608 -15.1608 -8.4520 -8.4520 -8.2167 -8.2167 -7.1515 -7.1515 -1.8343 -1.8343 -0.7162 -0.7162 7.1580 7.1580 9.6662 9.6662 10.2279 10.2279 k = 0.4649 0.0006 0.1931 ( 1406 PWs) bands (ev): -27.3287 -27.3287 -15.1614 -15.1614 -8.4522 -8.4522 -8.2135 -8.2135 -7.1520 -7.1520 -1.8292 -1.8292 -0.7169 -0.7169 7.1484 7.1484 9.5952 9.5952 10.3002 10.3002 k = 0.4561 0.0006 0.1894 ( 1408 PWs) bands (ev): -27.3295 -27.3295 -15.1620 -15.1620 -8.4525 -8.4525 -8.2092 -8.2092 -7.1527 -7.1527 -1.8228 -1.8228 -0.7178 -0.7178 7.1360 7.1360 9.5234 9.5234 10.3728 10.3728 k = 0.4474 0.0005 0.1858 ( 1409 PWs) bands (ev): -27.3305 -27.3305 -15.1628 -15.1628 -8.4530 -8.4530 -8.2038 -8.2038 -7.1535 -7.1535 -1.8149 -1.8149 -0.7190 -0.7190 7.1209 7.1209 9.4522 9.4522 10.4432 10.4432 k = 0.4386 0.0005 0.1822 ( 1409 PWs) bands (ev): -27.3316 -27.3316 -15.1638 -15.1638 -8.4537 -8.4537 -8.1973 -8.1973 -7.1545 -7.1545 -1.8057 -1.8057 -0.7203 -0.7203 7.1031 7.1031 9.3825 9.3825 10.5097 10.5097 k = 0.4298 0.0005 0.1785 ( 1408 PWs) bands (ev): -27.3329 -27.3329 -15.1648 -15.1648 -8.4549 -8.4549 -8.1896 -8.1896 -7.1556 -7.1556 -1.7951 -1.7951 -0.7218 -0.7218 7.0825 7.0825 9.3149 9.3149 10.5707 10.5707 k = 0.4211 0.0005 0.1749 ( 1410 PWs) bands (ev): -27.3344 -27.3344 -15.1660 -15.1660 -8.4564 -8.4564 -8.1807 -8.1807 -7.1568 -7.1568 -1.7832 -1.7832 -0.7235 -0.7235 7.0593 7.0593 9.2497 9.2497 10.6248 10.6248 k = 0.4123 0.0005 0.1712 ( 1409 PWs) bands (ev): -27.3361 -27.3361 -15.1673 -15.1673 -8.4584 -8.4584 -8.1704 -8.1704 -7.1582 -7.1582 -1.7700 -1.7700 -0.7253 -0.7253 7.0335 7.0335 9.1872 9.1872 10.6710 10.6710 k = 0.4035 0.0005 0.1676 ( 1413 PWs) bands (ev): -27.3379 -27.3379 -15.1688 -15.1688 -8.4609 -8.4609 -8.1589 -8.1589 -7.1597 -7.1597 -1.7556 -1.7556 -0.7274 -0.7274 7.0051 7.0051 9.1276 9.1276 10.7085 10.7085 k = 0.3947 0.0005 0.1639 ( 1414 PWs) bands (ev): -27.3398 -27.3398 -15.1704 -15.1704 -8.4640 -8.4640 -8.1460 -8.1460 -7.1613 -7.1613 -1.7399 -1.7399 -0.7296 -0.7296 6.9742 6.9742 9.0710 9.0710 10.7371 10.7371 k = 0.3860 0.0005 0.1603 ( 1413 PWs) bands (ev): -27.3419 -27.3419 -15.1720 -15.1720 -8.4675 -8.4675 -8.1318 -8.1318 -7.1631 -7.1631 -1.7231 -1.7231 -0.7320 -0.7320 6.9408 6.9408 9.0175 9.0175 10.7569 10.7569 k = 0.3772 0.0005 0.1567 ( 1410 PWs) bands (ev): -27.3441 -27.3441 -15.1738 -15.1738 -8.4717 -8.4717 -8.1163 -8.1163 -7.1649 -7.1649 -1.7051 -1.7051 -0.7345 -0.7345 6.9051 6.9051 8.9671 8.9671 10.7686 10.7686 k = 0.3684 0.0004 0.1530 ( 1411 PWs) bands (ev): -27.3464 -27.3464 -15.1757 -15.1757 -8.4764 -8.4764 -8.0996 -8.0996 -7.1669 -7.1669 -1.6861 -1.6861 -0.7372 -0.7372 6.8672 6.8672 8.9200 8.9200 10.7731 10.7731 k = 0.3596 0.0004 0.1494 ( 1409 PWs) bands (ev): -27.3489 -27.3489 -15.1776 -15.1776 -8.4816 -8.4816 -8.0816 -8.0816 -7.1689 -7.1689 -1.6660 -1.6660 -0.7400 -0.7400 6.8272 6.8272 8.8762 8.8762 10.7714 10.7714 k = 0.3509 0.0004 0.1457 ( 1407 PWs) bands (ev): -27.3515 -27.3515 -15.1797 -15.1797 -8.4873 -8.4873 -8.0625 -8.0625 -7.1711 -7.1711 -1.6450 -1.6450 -0.7429 -0.7429 6.7853 6.7853 8.8355 8.8355 10.7645 10.7645 k = 0.3421 0.0004 0.1421 ( 1404 PWs) bands (ev): -27.3542 -27.3542 -15.1818 -15.1818 -8.4934 -8.4934 -8.0422 -8.0422 -7.1733 -7.1733 -1.6230 -1.6230 -0.7460 -0.7460 6.7415 6.7415 8.7980 8.7980 10.7534 10.7534 k = 0.3333 0.0004 0.1384 ( 1405 PWs) bands (ev): -27.3569 -27.3569 -15.1840 -15.1840 -8.5001 -8.5001 -8.0209 -8.0209 -7.1756 -7.1756 -1.6003 -1.6003 -0.7492 -0.7492 6.6962 6.6962 8.7637 8.7637 10.7390 10.7390 k = 0.3246 0.0004 0.1348 ( 1407 PWs) bands (ev): -27.3598 -27.3598 -15.1863 -15.1863 -8.5071 -8.5071 -7.9987 -7.9987 -7.1780 -7.1780 -1.5767 -1.5767 -0.7525 -0.7525 6.6493 6.6493 8.7324 8.7324 10.7219 10.7219 k = 0.3158 0.0004 0.1312 ( 1409 PWs) bands (ev): -27.3628 -27.3628 -15.1886 -15.1886 -8.5145 -8.5145 -7.9755 -7.9755 -7.1805 -7.1805 -1.5524 -1.5524 -0.7558 -0.7558 6.6012 6.6012 8.7041 8.7041 10.7027 10.7027 k = 0.3070 0.0004 0.1275 ( 1406 PWs) bands (ev): -27.3658 -27.3658 -15.1909 -15.1909 -8.5222 -8.5222 -7.9515 -7.9515 -7.1830 -7.1830 -1.5275 -1.5275 -0.7593 -0.7593 6.5520 6.5520 8.6788 8.6788 10.6821 10.6821 k = 0.2982 0.0004 0.1239 ( 1406 PWs) bands (ev): -27.3689 -27.3689 -15.1933 -15.1933 -8.5302 -8.5302 -7.9267 -7.9267 -7.1856 -7.1856 -1.5020 -1.5020 -0.7628 -0.7628 6.5019 6.5019 8.6562 8.6562 10.6604 10.6604 k = 0.2895 0.0004 0.1202 ( 1406 PWs) bands (ev): -27.3720 -27.3720 -15.1958 -15.1958 -8.5385 -8.5385 -7.9013 -7.9013 -7.1882 -7.1882 -1.4761 -1.4761 -0.7664 -0.7664 6.4511 6.4511 8.6365 8.6365 10.6379 10.6379 k = 0.2807 0.0003 0.1166 ( 1406 PWs) bands (ev): -27.3752 -27.3752 -15.1982 -15.1982 -8.5470 -8.5470 -7.8753 -7.8753 -7.1908 -7.1908 -1.4497 -1.4497 -0.7700 -0.7700 6.3997 6.3997 8.6194 8.6194 10.6150 10.6150 k = 0.2719 0.0003 0.1129 ( 1403 PWs) bands (ev): -27.3784 -27.3784 -15.2007 -15.2007 -8.5557 -8.5557 -7.8488 -7.8488 -7.1935 -7.1935 -1.4230 -1.4230 -0.7737 -0.7737 6.3480 6.3480 8.6048 8.6048 10.5918 10.5918 k = 0.2632 0.0003 0.1093 ( 1402 PWs) bands (ev): -27.3816 -27.3816 -15.2032 -15.2032 -8.5646 -8.5646 -7.8218 -7.8218 -7.1962 -7.1962 -1.3960 -1.3960 -0.7773 -0.7773 6.2961 6.2961 8.5927 8.5927 10.5686 10.5686 k = 0.2544 0.0003 0.1057 ( 1399 PWs) bands (ev): -27.3848 -27.3848 -15.2056 -15.2056 -8.5735 -8.5735 -7.7946 -7.7946 -7.1989 -7.1989 -1.3688 -1.3688 -0.7810 -0.7810 6.2441 6.2441 8.5830 8.5830 10.5455 10.5455 k = 0.2456 0.0003 0.1020 ( 1400 PWs) bands (ev): -27.3881 -27.3881 -15.2081 -15.2081 -8.5825 -8.5825 -7.7670 -7.7670 -7.2016 -7.2016 -1.3416 -1.3416 -0.7847 -0.7847 6.1923 6.1923 8.5755 8.5755 10.5226 10.5226 k = 0.2368 0.0003 0.0984 ( 1398 PWs) bands (ev): -27.3913 -27.3913 -15.2106 -15.2106 -8.5916 -8.5916 -7.7393 -7.7393 -7.2042 -7.2042 -1.3143 -1.3143 -0.7884 -0.7884 6.1408 6.1408 8.5702 8.5702 10.5001 10.5001 k = 0.2281 0.0003 0.0947 ( 1396 PWs) bands (ev): -27.3945 -27.3945 -15.2130 -15.2130 -8.6007 -8.6007 -7.7116 -7.7116 -7.2069 -7.2069 -1.2871 -1.2871 -0.7921 -0.7921 6.0898 6.0898 8.5670 8.5670 10.4779 10.4779 k = 0.2193 0.0003 0.0911 ( 1398 PWs) bands (ev): -27.3977 -27.3977 -15.2154 -15.2154 -8.6097 -8.6097 -7.6839 -7.6839 -7.2096 -7.2096 -1.2600 -1.2600 -0.7957 -0.7957 6.0393 6.0393 8.5657 8.5657 10.4563 10.4563 k = 0.2105 0.0003 0.0874 ( 1402 PWs) bands (ev): -27.4008 -27.4008 -15.2178 -15.2178 -8.6187 -8.6187 -7.6563 -7.6563 -7.2122 -7.2122 -1.2333 -1.2333 -0.7993 -0.7993 5.9896 5.9896 8.5662 8.5662 10.4352 10.4352 k = 0.2018 0.0002 0.0838 ( 1403 PWs) bands (ev): -27.4039 -27.4039 -15.2201 -15.2201 -8.6276 -8.6276 -7.6289 -7.6289 -7.2148 -7.2148 -1.2068 -1.2068 -0.8029 -0.8029 5.9408 5.9408 8.5686 8.5686 10.4147 10.4147 k = 0.1930 0.0002 0.0801 ( 1404 PWs) bands (ev): -27.4070 -27.4070 -15.2224 -15.2224 -8.6364 -8.6364 -7.6018 -7.6018 -7.2173 -7.2173 -1.1807 -1.1807 -0.8063 -0.8063 5.8929 5.8929 8.5726 8.5726 10.3949 10.3949 k = 0.1842 0.0002 0.0765 ( 1405 PWs) bands (ev): -27.4100 -27.4100 -15.2246 -15.2246 -8.6450 -8.6450 -7.5751 -7.5751 -7.2197 -7.2197 -1.1551 -1.1551 -0.8097 -0.8097 5.8463 5.8463 8.5781 8.5781 10.3757 10.3757 k = 0.1754 0.0002 0.0729 ( 1405 PWs) bands (ev): -27.4129 -27.4129 -15.2267 -15.2267 -8.6534 -8.6534 -7.5489 -7.5489 -7.2221 -7.2221 -1.1301 -1.1301 -0.8130 -0.8130 5.8009 5.8009 8.5850 8.5850 10.3573 10.3573 k = 0.1667 0.0002 0.0692 ( 1405 PWs) bands (ev): -27.4157 -27.4157 -15.2288 -15.2288 -8.6617 -8.6617 -7.5232 -7.5232 -7.2245 -7.2245 -1.1058 -1.1058 -0.8162 -0.8162 5.7568 5.7568 8.5932 8.5932 10.3396 10.3396 k = 0.1579 0.0002 0.0656 ( 1404 PWs) bands (ev): -27.4185 -27.4185 -15.2308 -15.2308 -8.6696 -8.6696 -7.4983 -7.4983 -7.2267 -7.2267 -1.0821 -1.0821 -0.8193 -0.8193 5.7143 5.7143 8.6025 8.6025 10.3227 10.3227 k = 0.1491 0.0002 0.0619 ( 1405 PWs) bands (ev): -27.4211 -27.4211 -15.2327 -15.2327 -8.6773 -8.6773 -7.4741 -7.4741 -7.2289 -7.2289 -1.0593 -1.0593 -0.8222 -0.8222 5.6734 5.6734 8.6128 8.6128 10.3065 10.3065 k = 0.1404 0.0002 0.0583 ( 1407 PWs) bands (ev): -27.4236 -27.4236 -15.2346 -15.2346 -8.6848 -8.6848 -7.4507 -7.4507 -7.2309 -7.2309 -1.0374 -1.0374 -0.8251 -0.8251 5.6342 5.6342 8.6239 8.6239 10.2912 10.2912 k = 0.1316 0.0002 0.0546 ( 1404 PWs) bands (ev): -27.4260 -27.4260 -15.2364 -15.2364 -8.6919 -8.6919 -7.4283 -7.4283 -7.2328 -7.2328 -1.0165 -1.0165 -0.8277 -0.8277 5.5968 5.5968 8.6358 8.6358 10.2767 10.2767 k = 0.1228 0.0001 0.0510 ( 1405 PWs) bands (ev): -27.4283 -27.4283 -15.2380 -15.2380 -8.6986 -8.6986 -7.4070 -7.4070 -7.2347 -7.2347 -0.9966 -0.9966 -0.8302 -0.8302 5.5614 5.5614 8.6481 8.6481 10.2630 10.2630 k = 0.1140 0.0001 0.0474 ( 1405 PWs) bands (ev): -27.4305 -27.4305 -15.2396 -15.2396 -8.7050 -8.7050 -7.3867 -7.3867 -7.2363 -7.2363 -0.9778 -0.9778 -0.8325 -0.8325 5.5279 5.5279 8.6608 8.6608 10.2502 10.2502 k = 0.1053 0.0001 0.0437 ( 1406 PWs) bands (ev): -27.4325 -27.4325 -15.2411 -15.2411 -8.7110 -8.7110 -7.3676 -7.3676 -7.2379 -7.2379 -0.9603 -0.9603 -0.8346 -0.8346 5.4966 5.4966 8.6736 8.6736 10.2382 10.2382 k = 0.0965 0.0001 0.0401 ( 1407 PWs) bands (ev): -27.4344 -27.4344 -15.2424 -15.2424 -8.7166 -8.7166 -7.3499 -7.3499 -7.2393 -7.2393 -0.9440 -0.9440 -0.8365 -0.8365 5.4674 5.4674 8.6863 8.6863 10.2271 10.2271 k = 0.0877 0.0001 0.0364 ( 1406 PWs) bands (ev): -27.4362 -27.4362 -15.2437 -15.2437 -8.7218 -8.7218 -7.3335 -7.3335 -7.2405 -7.2405 -0.9290 -0.9290 -0.8381 -0.8381 5.4405 5.4405 8.6989 8.6989 10.2170 10.2170 k = 0.0789 0.0001 0.0328 ( 1408 PWs) bands (ev): -27.4378 -27.4378 -15.2448 -15.2448 -8.7265 -8.7265 -7.3185 -7.3185 -7.2415 -7.2415 -0.9155 -0.9155 -0.8394 -0.8394 5.4160 5.4160 8.7110 8.7110 10.2077 10.2077 k = 0.0702 0.0001 0.0291 ( 1409 PWs) bands (ev): -27.4392 -27.4392 -15.2459 -15.2459 -8.7308 -8.7308 -7.3052 -7.3052 -7.2422 -7.2422 -0.9035 -0.9035 -0.8403 -0.8403 5.3938 5.3938 8.7225 8.7225 10.1993 10.1993 k = 0.0614 0.0001 0.0255 ( 1408 PWs) bands (ev): -27.4405 -27.4405 -15.2468 -15.2468 -8.7346 -8.7346 -7.2934 -7.2934 -7.2427 -7.2427 -0.8932 -0.8932 -0.8408 -0.8408 5.3741 5.3741 8.7331 8.7331 10.1919 10.1919 k = 0.0526 0.0001 0.0219 ( 1409 PWs) bands (ev): -27.4416 -27.4416 -15.2476 -15.2476 -8.7379 -8.7379 -7.2835 -7.2835 -7.2427 -7.2427 -0.8846 -0.8846 -0.8408 -0.8408 5.3569 5.3569 8.7428 8.7428 10.1855 10.1855 k = 0.0439 0.0001 0.0182 ( 1409 PWs) bands (ev): -27.4426 -27.4426 -15.2483 -15.2483 -8.7408 -8.7408 -7.2755 -7.2755 -7.2423 -7.2423 -0.8778 -0.8778 -0.8403 -0.8403 5.3423 5.3423 8.7513 8.7513 10.1800 10.1800 k = 0.0351 0.0000 0.0146 ( 1408 PWs) bands (ev): -27.4433 -27.4433 -15.2488 -15.2488 -8.7431 -8.7431 -7.2695 -7.2695 -7.2413 -7.2413 -0.8728 -0.8728 -0.8393 -0.8393 5.3302 5.3302 8.7584 8.7584 10.1755 10.1755 k = 0.0263 0.0000 0.0109 ( 1408 PWs) bands (ev): -27.4440 -27.4440 -15.2493 -15.2493 -8.7449 -8.7449 -7.2655 -7.2655 -7.2400 -7.2400 -0.8694 -0.8694 -0.8379 -0.8379 5.3208 5.3208 8.7641 8.7641 10.1719 10.1719 k = 0.0175 0.0000 0.0073 ( 1405 PWs) bands (ev): -27.4444 -27.4444 -15.2496 -15.2496 -8.7462 -8.7462 -7.2629 -7.2629 -7.2386 -7.2386 -0.8673 -0.8673 -0.8366 -0.8366 5.3141 5.3141 8.7683 8.7683 10.1694 10.1694 k = 0.0088 0.0000 0.0036 ( 1405 PWs) bands (ev): -27.4447 -27.4447 -15.2497 -15.2497 -8.7470 -8.7470 -7.2616 -7.2616 -7.2376 -7.2376 -0.8662 -0.8662 -0.8357 -0.8357 5.3101 5.3101 8.7708 8.7708 10.1679 10.1679 k = 0.0000 0.0000 0.0000 ( 1407 PWs) bands (ev): -27.4447 -27.4447 -15.2498 -15.2498 -8.7473 -8.7473 -7.2613 -7.2613 -7.2372 -7.2372 -0.8659 -0.8659 -0.8354 -0.8354 5.3087 5.3087 8.7717 8.7717 10.1674 10.1674 Writing output data file O2.save init_run : 0.08s CPU 0.19s WALL ( 1 calls) electrons : 48.29s CPU 49.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 48.28s CPU 49.53s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 523 calls) cegterg : 45.20s CPU 46.17s WALL ( 728 calls) Called by sum_band: Called by *egterg: h_psi : 20.86s CPU 21.43s WALL ( 11896 calls) s_psi : 0.23s CPU 0.24s WALL ( 11896 calls) g_psi : 0.06s CPU 0.05s WALL ( 10645 calls) cdiaghg : 22.80s CPU 23.23s WALL ( 11168 calls) cegterg:over : 1.20s CPU 1.23s WALL ( 10645 calls) cegterg:upda : 1.06s CPU 1.02s WALL ( 10645 calls) cegterg:last : 0.48s CPU 0.52s WALL ( 1772 calls) cdiaghg:chol : 1.22s CPU 1.25s WALL ( 11168 calls) cdiaghg:inve : 0.24s CPU 0.27s WALL ( 11168 calls) cdiaghg:para : 1.51s CPU 1.67s WALL ( 22336 calls) Called by h_psi: h_psi:vloc : 20.00s CPU 20.51s WALL ( 11896 calls) h_psi:vnl : 0.84s CPU 0.88s WALL ( 11896 calls) add_vuspsi : 0.32s CPU 0.30s WALL ( 11896 calls) General routines calbec : 0.49s CPU 0.56s WALL ( 11896 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 18.84s CPU 19.37s WALL ( 430836 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.13s WALL ( 1046 calls) Parallel routines fft_scatter : 8.64s CPU 8.88s WALL ( 430859 calls) PWSCF : 0m55.83s CPU 1m18.28s WALL This run was terminated on: 21: 4: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=