Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:28: 8 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: ./TlF.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 21 6 771 376 63 Max 34 22 7 775 394 66 Sum 1219 765 231 27847 13917 2311 bravais-lattice index = 14 lattice parameter (alat) = 7.7433 a.u. unit-cell volume = 291.9695 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.743348 celldm(2)= 0.974645 celldm(3)= 0.921472 celldm(4)= 0.444848 celldm(5)= 0.487903 celldm(6)= 0.564730 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.550411 0.804350 0.000000 ) a(3) = ( 0.449589 0.189050 0.781818 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.684293 -0.409588 ) b(2) = ( 0.000000 1.243239 -0.300625 ) b(3) = ( 0.000000 0.000000 1.279070 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Tl 13.00 204.38330 Tl( 1.00) F 7.00 18.99840 F( 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= 528 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 k( 2) = ( 0.0086207 -0.0058991 0.0074955), wk = 0.0018939 k( 3) = ( 0.0172414 -0.0117982 0.0149911), wk = 0.0018939 k( 4) = ( 0.0258621 -0.0176972 0.0224866), wk = 0.0018939 k( 5) = ( 0.0344828 -0.0235963 0.0299821), wk = 0.0018939 k( 6) = ( 0.0431035 -0.0294954 0.0374777), wk = 0.0018939 k( 7) = ( 0.0517241 -0.0353945 0.0449732), wk = 0.0018939 k( 8) = ( 0.0603448 -0.0412935 0.0524687), wk = 0.0018939 k( 9) = ( 0.0689655 -0.0471926 0.0599642), wk = 0.0018939 k( 10) = ( 0.0775862 -0.0530917 0.0674598), wk = 0.0018939 k( 11) = ( 0.0862069 -0.0589908 0.0749553), wk = 0.0018939 k( 12) = ( 0.0948276 -0.0648898 0.0824508), wk = 0.0018939 k( 13) = ( 0.1034483 -0.0707889 0.0899464), wk = 0.0018939 k( 14) = ( 0.1120690 -0.0766880 0.0974419), wk = 0.0018939 k( 15) = ( 0.1206897 -0.0825871 0.1049374), wk = 0.0018939 k( 16) = ( 0.1293103 -0.0884861 0.1124330), wk = 0.0018939 k( 17) = ( 0.1379310 -0.0943852 0.1199285), wk = 0.0018939 k( 18) = ( 0.1465517 -0.1002843 0.1274240), wk = 0.0018939 k( 19) = ( 0.1551724 -0.1061834 0.1349195), wk = 0.0018939 k( 20) = ( 0.1637931 -0.1120824 0.1424151), wk = 0.0018939 k( 21) = ( 0.1724138 -0.1179815 0.1499106), wk = 0.0018939 k( 22) = ( 0.1810345 -0.1238806 0.1574061), wk = 0.0018939 k( 23) = ( 0.1896552 -0.1297797 0.1649017), wk = 0.0018939 k( 24) = ( 0.1982759 -0.1356787 0.1723972), wk = 0.0018939 k( 25) = ( 0.2068966 -0.1415778 0.1798927), wk = 0.0018939 k( 26) = ( 0.2155172 -0.1474769 0.1873883), wk = 0.0018939 k( 27) = ( 0.2241379 -0.1533760 0.1948838), wk = 0.0018939 k( 28) = ( 0.2327586 -0.1592750 0.2023793), wk = 0.0018939 k( 29) = ( 0.2413793 -0.1651741 0.2098749), wk = 0.0018939 k( 30) = ( 0.2500000 -0.1710732 0.2173704), wk = 0.0018939 k( 31) = ( 0.2586207 -0.1769723 0.2248659), wk = 0.0018939 k( 32) = ( 0.2672414 -0.1828713 0.2323614), wk = 0.0018939 k( 33) = ( 0.2758621 -0.1887704 0.2398570), wk = 0.0018939 k( 34) = ( 0.2844828 -0.1946695 0.2473525), wk = 0.0018939 k( 35) = ( 0.2931034 -0.2005686 0.2548480), wk = 0.0018939 k( 36) = ( 0.3017241 -0.2064676 0.2623436), wk = 0.0018939 k( 37) = ( 0.3103448 -0.2123667 0.2698391), wk = 0.0018939 k( 38) = ( 0.3189655 -0.2182658 0.2773346), wk = 0.0018939 k( 39) = ( 0.3275862 -0.2241649 0.2848302), wk = 0.0018939 k( 40) = ( 0.3362069 -0.2300639 0.2923257), wk = 0.0018939 k( 41) = ( 0.3448276 -0.2359630 0.2998212), wk = 0.0018939 k( 42) = ( 0.3534483 -0.2418621 0.3073167), wk = 0.0018939 k( 43) = ( 0.3620690 -0.2477612 0.3148123), wk = 0.0018939 k( 44) = ( 0.3706897 -0.2536602 0.3223078), wk = 0.0018939 k( 45) = ( 0.3793103 -0.2595593 0.3298033), wk = 0.0018939 k( 46) = ( 0.3879310 -0.2654584 0.3372989), wk = 0.0018939 k( 47) = ( 0.3965517 -0.2713575 0.3447944), wk = 0.0018939 k( 48) = ( 0.4051724 -0.2772565 0.3522899), wk = 0.0018939 k( 49) = ( 0.4137931 -0.2831556 0.3597855), wk = 0.0018939 k( 50) = ( 0.4224138 -0.2890547 0.3672810), wk = 0.0018939 k( 51) = ( 0.4310345 -0.2949538 0.3747765), wk = 0.0018939 k( 52) = ( 0.4396552 -0.3008528 0.3822720), wk = 0.0018939 k( 53) = ( 0.4482759 -0.3067519 0.3897676), wk = 0.0018939 k( 54) = ( 0.4568966 -0.3126510 0.3972631), wk = 0.0018939 k( 55) = ( 0.4655172 -0.3185501 0.4047586), wk = 0.0018939 k( 56) = ( 0.4741379 -0.3244491 0.4122542), wk = 0.0018939 k( 57) = ( 0.4827586 -0.3303482 0.4197497), wk = 0.0018939 k( 58) = ( 0.4913793 -0.3362473 0.4272452), wk = 0.0018939 k( 59) = ( 0.5000000 -0.3421464 0.4347408), wk = 0.0018939 k( 60) = ( 0.5000000 -0.3421464 0.4347408), wk = 0.0018939 k( 61) = ( 0.5000000 -0.3321380 0.4426175), wk = 0.0018939 k( 62) = ( 0.5000000 -0.3221297 0.4504942), wk = 0.0018939 k( 63) = ( 0.5000000 -0.3121213 0.4583708), wk = 0.0018939 k( 64) = ( 0.5000000 -0.3021130 0.4662475), wk = 0.0018939 k( 65) = ( 0.5000000 -0.2921046 0.4741242), wk = 0.0018939 k( 66) = ( 0.5000000 -0.2820963 0.4820009), wk = 0.0018939 k( 67) = ( 0.5000000 -0.2720879 0.4898776), wk = 0.0018939 k( 68) = ( 0.5000000 -0.2620796 0.4977543), wk = 0.0018939 k( 69) = ( 0.5000000 -0.2520713 0.5056310), wk = 0.0018939 k( 70) = ( 0.5000000 -0.2420629 0.5135077), wk = 0.0018939 k( 71) = ( 0.5000000 -0.2320546 0.5213844), wk = 0.0018939 k( 72) = ( 0.5000000 -0.2220462 0.5292611), wk = 0.0018939 k( 73) = ( 0.5000000 -0.2120379 0.5371378), wk = 0.0018939 k( 74) = ( 0.5000000 -0.2020295 0.5450145), wk = 0.0018939 k( 75) = ( 0.5000000 -0.1920212 0.5528911), wk = 0.0018939 k( 76) = ( 0.5000000 -0.1820128 0.5607678), wk = 0.0018939 k( 77) = ( 0.5000000 -0.1720045 0.5686445), wk = 0.0018939 k( 78) = ( 0.5000000 -0.1619961 0.5765212), wk = 0.0018939 k( 79) = ( 0.5000000 -0.1519878 0.5843979), wk = 0.0018939 k( 80) = ( 0.5000000 -0.1419794 0.5922746), wk = 0.0018939 k( 81) = ( 0.5000000 -0.1319711 0.6001513), wk = 0.0018939 k( 82) = ( 0.5000000 -0.1219627 0.6080280), wk = 0.0018939 k( 83) = ( 0.5000000 -0.1119544 0.6159047), wk = 0.0018939 k( 84) = ( 0.5000000 -0.1019461 0.6237814), wk = 0.0018939 k( 85) = ( 0.5000000 -0.0919377 0.6316581), wk = 0.0018939 k( 86) = ( 0.5000000 -0.0819294 0.6395348), wk = 0.0018939 k( 87) = ( 0.5000000 -0.0819294 0.6395348), wk = 0.0018939 k( 88) = ( 0.4937091 -0.0706745 0.6395348), wk = 0.0018939 k( 89) = ( 0.4874183 -0.0594197 0.6395348), wk = 0.0018939 k( 90) = ( 0.4811275 -0.0481649 0.6395348), wk = 0.0018939 k( 91) = ( 0.4748366 -0.0369100 0.6395348), wk = 0.0018939 k( 92) = ( 0.4685458 -0.0256552 0.6395348), wk = 0.0018939 k( 93) = ( 0.4622549 -0.0144004 0.6395348), wk = 0.0018939 k( 94) = ( 0.4559641 -0.0031456 0.6395348), wk = 0.0018939 k( 95) = ( 0.4496732 0.0081093 0.6395348), wk = 0.0018939 k( 96) = ( 0.4433824 0.0193641 0.6395348), wk = 0.0018939 k( 97) = ( 0.4370915 0.0306189 0.6395348), wk = 0.0018939 k( 98) = ( 0.4308007 0.0418738 0.6395348), wk = 0.0018939 k( 99) = ( 0.4245098 0.0531286 0.6395348), wk = 0.0018939 k( 100) = ( 0.4182190 0.0643834 0.6395348), wk = 0.0018939 k( 101) = ( 0.4119281 0.0756383 0.6395348), wk = 0.0018939 k( 102) = ( 0.4056373 0.0868931 0.6395348), wk = 0.0018939 k( 103) = ( 0.3993465 0.0981479 0.6395348), wk = 0.0018939 k( 104) = ( 0.3930556 0.1094027 0.6395348), wk = 0.0018939 k( 105) = ( 0.3867648 0.1206576 0.6395348), wk = 0.0018939 k( 106) = ( 0.3804739 0.1319124 0.6395348), wk = 0.0018939 k( 107) = ( 0.3741831 0.1431672 0.6395348), wk = 0.0018939 k( 108) = ( 0.3678922 0.1544221 0.6395348), wk = 0.0018939 k( 109) = ( 0.3616014 0.1656769 0.6395348), wk = 0.0018939 k( 110) = ( 0.3553105 0.1769317 0.6395348), wk = 0.0018939 k( 111) = ( 0.3490197 0.1881866 0.6395348), wk = 0.0018939 k( 112) = ( 0.3427288 0.1994414 0.6395348), wk = 0.0018939 k( 113) = ( 0.3364380 0.2106962 0.6395348), wk = 0.0018939 k( 114) = ( 0.3301472 0.2219510 0.6395348), wk = 0.0018939 k( 115) = ( 0.3238563 0.2332059 0.6395348), wk = 0.0018939 k( 116) = ( 0.3175655 0.2444607 0.6395348), wk = 0.0018939 k( 117) = ( 0.3112746 0.2557155 0.6395348), wk = 0.0018939 k( 118) = ( 0.3049838 0.2669704 0.6395348), wk = 0.0018939 k( 119) = ( 0.2986929 0.2782252 0.6395348), wk = 0.0018939 k( 120) = ( 0.2924021 0.2894800 0.6395348), wk = 0.0018939 k( 121) = ( 0.2861112 0.3007348 0.6395348), wk = 0.0018939 k( 122) = ( 0.2798204 0.3119897 0.6395348), wk = 0.0018939 k( 123) = ( 0.2735295 0.3232445 0.6395348), wk = 0.0018939 k( 124) = ( 0.2672387 0.3344993 0.6395348), wk = 0.0018939 k( 125) = ( 0.2609478 0.3457542 0.6395348), wk = 0.0018939 k( 126) = ( 0.2546570 0.3570090 0.6395348), wk = 0.0018939 k( 127) = ( 0.2483661 0.3682638 0.6395348), wk = 0.0018939 k( 128) = ( 0.2420753 0.3795187 0.6395348), wk = 0.0018939 k( 129) = ( 0.2357845 0.3907735 0.6395348), wk = 0.0018939 k( 130) = ( 0.2294936 0.4020283 0.6395348), wk = 0.0018939 k( 131) = ( 0.2232028 0.4132831 0.6395348), wk = 0.0018939 k( 132) = ( 0.2169119 0.4245380 0.6395348), wk = 0.0018939 k( 133) = ( 0.2106211 0.4357928 0.6395348), wk = 0.0018939 k( 134) = ( 0.2043302 0.4470476 0.6395348), wk = 0.0018939 k( 135) = ( 0.1980394 0.4583025 0.6395348), wk = 0.0018939 k( 136) = ( 0.1917485 0.4695573 0.6395348), wk = 0.0018939 k( 137) = ( 0.1854577 0.4808121 0.6395348), wk = 0.0018939 k( 138) = ( 0.1791668 0.4920669 0.6395348), wk = 0.0018939 k( 139) = ( 0.1728760 0.5033218 0.6395348), wk = 0.0018939 k( 140) = ( 0.1728760 0.5033218 0.6395348), wk = 0.0018939 k( 141) = ( 0.1642322 0.5092367 0.6320191), wk = 0.0018939 k( 142) = ( 0.1555884 0.5151516 0.6245035), wk = 0.0018939 k( 143) = ( 0.1469446 0.5210664 0.6169879), wk = 0.0018939 k( 144) = ( 0.1383008 0.5269813 0.6094723), wk = 0.0018939 k( 145) = ( 0.1296570 0.5328962 0.6019566), wk = 0.0018939 k( 146) = ( 0.1210132 0.5388111 0.5944410), wk = 0.0018939 k( 147) = ( 0.1123694 0.5447260 0.5869254), wk = 0.0018939 k( 148) = ( 0.1037256 0.5506409 0.5794098), wk = 0.0018939 k( 149) = ( 0.0950818 0.5565558 0.5718942), wk = 0.0018939 k( 150) = ( 0.0864380 0.5624707 0.5643785), wk = 0.0018939 k( 151) = ( 0.0777942 0.5683856 0.5568629), wk = 0.0018939 k( 152) = ( 0.0691504 0.5743005 0.5493473), wk = 0.0018939 k( 153) = ( 0.0605066 0.5802153 0.5418317), wk = 0.0018939 k( 154) = ( 0.0518628 0.5861302 0.5343160), wk = 0.0018939 k( 155) = ( 0.0432190 0.5920451 0.5268004), wk = 0.0018939 k( 156) = ( 0.0345752 0.5979600 0.5192848), wk = 0.0018939 k( 157) = ( 0.0259314 0.6038749 0.5117692), wk = 0.0018939 k( 158) = ( 0.0172876 0.6097898 0.5042535), wk = 0.0018939 k( 159) = ( 0.0086438 0.6157047 0.4967379), wk = 0.0018939 k( 160) = ( 0.0000000 0.6216196 0.4892223), wk = 0.0018939 k( 161) = ( 0.0000000 0.6216196 0.4892223), wk = 0.0018939 k( 162) = ( 0.0000000 0.6114291 0.4812023), wk = 0.0018939 k( 163) = ( 0.0000000 0.6012386 0.4731822), wk = 0.0018939 k( 164) = ( 0.0000000 0.5910481 0.4651622), wk = 0.0018939 k( 165) = ( 0.0000000 0.5808576 0.4571421), wk = 0.0018939 k( 166) = ( 0.0000000 0.5706671 0.4491221), wk = 0.0018939 k( 167) = ( 0.0000000 0.5604766 0.4411021), wk = 0.0018939 k( 168) = ( 0.0000000 0.5502862 0.4330820), wk = 0.0018939 k( 169) = ( 0.0000000 0.5400957 0.4250620), wk = 0.0018939 k( 170) = ( 0.0000000 0.5299052 0.4170420), wk = 0.0018939 k( 171) = ( 0.0000000 0.5197147 0.4090219), wk = 0.0018939 k( 172) = ( 0.0000000 0.5095242 0.4010019), wk = 0.0018939 k( 173) = ( 0.0000000 0.4993337 0.3929818), wk = 0.0018939 k( 174) = ( 0.0000000 0.4891433 0.3849618), wk = 0.0018939 k( 175) = ( 0.0000000 0.4789528 0.3769418), wk = 0.0018939 k( 176) = ( 0.0000000 0.4687623 0.3689217), wk = 0.0018939 k( 177) = ( 0.0000000 0.4585718 0.3609017), wk = 0.0018939 k( 178) = ( 0.0000000 0.4483813 0.3528817), wk = 0.0018939 k( 179) = ( 0.0000000 0.4381908 0.3448616), wk = 0.0018939 k( 180) = ( 0.0000000 0.4280004 0.3368416), wk = 0.0018939 k( 181) = ( 0.0000000 0.4178099 0.3288215), wk = 0.0018939 k( 182) = ( 0.0000000 0.4076194 0.3208015), wk = 0.0018939 k( 183) = ( 0.0000000 0.3974289 0.3127815), wk = 0.0018939 k( 184) = ( 0.0000000 0.3872384 0.3047614), wk = 0.0018939 k( 185) = ( 0.0000000 0.3770479 0.2967414), wk = 0.0018939 k( 186) = ( 0.0000000 0.3668574 0.2887214), wk = 0.0018939 k( 187) = ( 0.0000000 0.3566670 0.2807013), wk = 0.0018939 k( 188) = ( 0.0000000 0.3464765 0.2726813), wk = 0.0018939 k( 189) = ( 0.0000000 0.3362860 0.2646612), wk = 0.0018939 k( 190) = ( 0.0000000 0.3260955 0.2566412), wk = 0.0018939 k( 191) = ( 0.0000000 0.3159050 0.2486212), wk = 0.0018939 k( 192) = ( 0.0000000 0.3057145 0.2406011), wk = 0.0018939 k( 193) = ( 0.0000000 0.2955241 0.2325811), wk = 0.0018939 k( 194) = ( 0.0000000 0.2853336 0.2245611), wk = 0.0018939 k( 195) = ( 0.0000000 0.2751431 0.2165410), wk = 0.0018939 k( 196) = ( 0.0000000 0.2649526 0.2085210), wk = 0.0018939 k( 197) = ( 0.0000000 0.2547621 0.2005009), wk = 0.0018939 k( 198) = ( 0.0000000 0.2445716 0.1924809), wk = 0.0018939 k( 199) = ( 0.0000000 0.2343811 0.1844609), wk = 0.0018939 k( 200) = ( 0.0000000 0.2241907 0.1764408), wk = 0.0018939 k( 201) = ( 0.0000000 0.2140002 0.1684208), wk = 0.0018939 k( 202) = ( 0.0000000 0.2038097 0.1604008), wk = 0.0018939 k( 203) = ( 0.0000000 0.1936192 0.1523807), wk = 0.0018939 k( 204) = ( 0.0000000 0.1834287 0.1443607), wk = 0.0018939 k( 205) = ( 0.0000000 0.1732382 0.1363406), wk = 0.0018939 k( 206) = ( 0.0000000 0.1630478 0.1283206), wk = 0.0018939 k( 207) = ( 0.0000000 0.1528573 0.1203006), wk = 0.0018939 k( 208) = ( 0.0000000 0.1426668 0.1122805), wk = 0.0018939 k( 209) = ( 0.0000000 0.1324763 0.1042605), wk = 0.0018939 k( 210) = ( 0.0000000 0.1222858 0.0962405), wk = 0.0018939 k( 211) = ( 0.0000000 0.1120953 0.0882204), wk = 0.0018939 k( 212) = ( 0.0000000 0.1019048 0.0802004), wk = 0.0018939 k( 213) = ( 0.0000000 0.0917144 0.0721803), wk = 0.0018939 k( 214) = ( 0.0000000 0.0815239 0.0641603), wk = 0.0018939 k( 215) = ( 0.0000000 0.0713334 0.0561403), wk = 0.0018939 k( 216) = ( 0.0000000 0.0611429 0.0481202), wk = 0.0018939 k( 217) = ( 0.0000000 0.0509524 0.0401002), wk = 0.0018939 k( 218) = ( 0.0000000 0.0407619 0.0320802), wk = 0.0018939 k( 219) = ( 0.0000000 0.0305714 0.0240601), wk = 0.0018939 k( 220) = ( 0.0000000 0.0203810 0.0160401), wk = 0.0018939 k( 221) = ( 0.0000000 0.0101905 0.0080200), wk = 0.0018939 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 k( 224) = ( 0.0096154 0.0053745 -0.0068290), wk = 0.0018939 k( 225) = ( 0.0192308 0.0107490 -0.0136579), wk = 0.0018939 k( 226) = ( 0.0288462 0.0161235 -0.0204869), wk = 0.0018939 k( 227) = ( 0.0384615 0.0214979 -0.0273159), wk = 0.0018939 k( 228) = ( 0.0480769 0.0268724 -0.0341449), wk = 0.0018939 k( 229) = ( 0.0576923 0.0322469 -0.0409738), wk = 0.0018939 k( 230) = ( 0.0673077 0.0376214 -0.0478028), wk = 0.0018939 k( 231) = ( 0.0769231 0.0429959 -0.0546318), wk = 0.0018939 k( 232) = ( 0.0865385 0.0483704 -0.0614607), wk = 0.0018939 k( 233) = ( 0.0961538 0.0537448 -0.0682897), wk = 0.0018939 k( 234) = ( 0.1057692 0.0591193 -0.0751187), wk = 0.0018939 k( 235) = ( 0.1153846 0.0644938 -0.0819477), wk = 0.0018939 k( 236) = ( 0.1250000 0.0698683 -0.0887766), wk = 0.0018939 k( 237) = ( 0.1346154 0.0752428 -0.0956056), wk = 0.0018939 k( 238) = ( 0.1442308 0.0806173 -0.1024346), wk = 0.0018939 k( 239) = ( 0.1538461 0.0859918 -0.1092635), wk = 0.0018939 k( 240) = ( 0.1634615 0.0913662 -0.1160925), wk = 0.0018939 k( 241) = ( 0.1730769 0.0967407 -0.1229215), wk = 0.0018939 k( 242) = ( 0.1826923 0.1021152 -0.1297504), wk = 0.0018939 k( 243) = ( 0.1923077 0.1074897 -0.1365794), wk = 0.0018939 k( 244) = ( 0.2019231 0.1128642 -0.1434084), wk = 0.0018939 k( 245) = ( 0.2115385 0.1182387 -0.1502374), wk = 0.0018939 k( 246) = ( 0.2211539 0.1236131 -0.1570663), wk = 0.0018939 k( 247) = ( 0.2307692 0.1289876 -0.1638953), wk = 0.0018939 k( 248) = ( 0.2403846 0.1343621 -0.1707243), wk = 0.0018939 k( 249) = ( 0.2500000 0.1397366 -0.1775532), wk = 0.0018939 k( 250) = ( 0.2596154 0.1451111 -0.1843822), wk = 0.0018939 k( 251) = ( 0.2692308 0.1504856 -0.1912112), wk = 0.0018939 k( 252) = ( 0.2788462 0.1558601 -0.1980401), wk = 0.0018939 k( 253) = ( 0.2884615 0.1612345 -0.2048691), wk = 0.0018939 k( 254) = ( 0.2980769 0.1666090 -0.2116981), wk = 0.0018939 k( 255) = ( 0.3076923 0.1719835 -0.2185271), wk = 0.0018939 k( 256) = ( 0.3173077 0.1773580 -0.2253560), wk = 0.0018939 k( 257) = ( 0.3269231 0.1827325 -0.2321850), wk = 0.0018939 k( 258) = ( 0.3365385 0.1881070 -0.2390140), wk = 0.0018939 k( 259) = ( 0.3461538 0.1934814 -0.2458430), wk = 0.0018939 k( 260) = ( 0.3557692 0.1988559 -0.2526719), wk = 0.0018939 k( 261) = ( 0.3653846 0.2042304 -0.2595009), wk = 0.0018939 k( 262) = ( 0.3750000 0.2096049 -0.2663299), wk = 0.0018939 k( 263) = ( 0.3846154 0.2149794 -0.2731588), wk = 0.0018939 k( 264) = ( 0.3942308 0.2203539 -0.2799878), wk = 0.0018939 k( 265) = ( 0.4038462 0.2257283 -0.2868168), wk = 0.0018939 k( 266) = ( 0.4134615 0.2311028 -0.2936457), wk = 0.0018939 k( 267) = ( 0.4230769 0.2364773 -0.3004747), wk = 0.0018939 k( 268) = ( 0.4326923 0.2418518 -0.3073037), wk = 0.0018939 k( 269) = ( 0.4423077 0.2472263 -0.3141327), wk = 0.0018939 k( 270) = ( 0.4519231 0.2526008 -0.3209616), wk = 0.0018939 k( 271) = ( 0.4615385 0.2579753 -0.3277906), wk = 0.0018939 k( 272) = ( 0.4711538 0.2633497 -0.3346196), wk = 0.0018939 k( 273) = ( 0.4807692 0.2687242 -0.3414485), wk = 0.0018939 k( 274) = ( 0.4903846 0.2740987 -0.3482775), wk = 0.0018939 k( 275) = ( 0.5000000 0.2794732 -0.3551065), wk = 0.0018939 k( 276) = ( 0.5000000 0.2794732 -0.3551065), wk = 0.0018939 k( 277) = ( 0.5086085 0.2735824 -0.3476215), wk = 0.0018939 k( 278) = ( 0.5172170 0.2676917 -0.3401366), wk = 0.0018939 k( 279) = ( 0.5258256 0.2618009 -0.3326516), wk = 0.0018939 k( 280) = ( 0.5344341 0.2559102 -0.3251667), wk = 0.0018939 k( 281) = ( 0.5430426 0.2500194 -0.3176817), wk = 0.0018939 k( 282) = ( 0.5516512 0.2441287 -0.3101968), wk = 0.0018939 k( 283) = ( 0.5602597 0.2382379 -0.3027118), wk = 0.0018939 k( 284) = ( 0.5688682 0.2323472 -0.2952268), wk = 0.0018939 k( 285) = ( 0.5774767 0.2264564 -0.2877419), wk = 0.0018939 k( 286) = ( 0.5860853 0.2205657 -0.2802569), wk = 0.0018939 k( 287) = ( 0.5946938 0.2146749 -0.2727720), wk = 0.0018939 k( 288) = ( 0.6033023 0.2087842 -0.2652870), wk = 0.0018939 k( 289) = ( 0.6119109 0.2028934 -0.2578021), wk = 0.0018939 k( 290) = ( 0.6205194 0.1970027 -0.2503171), wk = 0.0018939 k( 291) = ( 0.6291279 0.1911119 -0.2428322), wk = 0.0018939 k( 292) = ( 0.6377364 0.1852212 -0.2353472), wk = 0.0018939 k( 293) = ( 0.6463450 0.1793304 -0.2278623), wk = 0.0018939 k( 294) = ( 0.6549535 0.1734397 -0.2203773), wk = 0.0018939 k( 295) = ( 0.6635620 0.1675489 -0.2128923), wk = 0.0018939 k( 296) = ( 0.6721705 0.1616582 -0.2054074), wk = 0.0018939 k( 297) = ( 0.6807791 0.1557674 -0.1979224), wk = 0.0018939 k( 298) = ( 0.6893876 0.1498766 -0.1904375), wk = 0.0018939 k( 299) = ( 0.6979961 0.1439859 -0.1829525), wk = 0.0018939 k( 300) = ( 0.7066046 0.1380951 -0.1754676), wk = 0.0018939 k( 301) = ( 0.7152132 0.1322044 -0.1679826), wk = 0.0018939 k( 302) = ( 0.7238217 0.1263136 -0.1604977), wk = 0.0018939 k( 303) = ( 0.7324302 0.1204229 -0.1530127), wk = 0.0018939 k( 304) = ( 0.7410387 0.1145321 -0.1455277), wk = 0.0018939 k( 305) = ( 0.7496473 0.1086414 -0.1380428), wk = 0.0018939 k( 306) = ( 0.7582558 0.1027506 -0.1305578), wk = 0.0018939 k( 307) = ( 0.7668643 0.0968599 -0.1230729), wk = 0.0018939 k( 308) = ( 0.7754728 0.0909691 -0.1155879), wk = 0.0018939 k( 309) = ( 0.7840814 0.0850784 -0.1081030), wk = 0.0018939 k( 310) = ( 0.7926899 0.0791876 -0.1006180), wk = 0.0018939 k( 311) = ( 0.8012984 0.0732969 -0.0931331), wk = 0.0018939 k( 312) = ( 0.8099070 0.0674061 -0.0856481), wk = 0.0018939 k( 313) = ( 0.8185155 0.0615154 -0.0781631), wk = 0.0018939 k( 314) = ( 0.8271240 0.0556246 -0.0706782), wk = 0.0018939 k( 315) = ( 0.8271240 0.0556246 -0.0706782), wk = 0.0018939 k( 316) = ( 0.8258317 0.0477381 -0.0606574), wk = 0.0018939 k( 317) = ( 0.8245395 0.0398516 -0.0506365), wk = 0.0018939 k( 318) = ( 0.8232472 0.0319651 -0.0406157), wk = 0.0018939 k( 319) = ( 0.8219549 0.0240785 -0.0305949), wk = 0.0018939 k( 320) = ( 0.8206626 0.0161920 -0.0205740), wk = 0.0018939 k( 321) = ( 0.8193704 0.0083055 -0.0105532), wk = 0.0018939 k( 322) = ( 0.8180781 0.0004190 -0.0005324), wk = 0.0018939 k( 323) = ( 0.8167858 -0.0074675 0.0094885), wk = 0.0018939 k( 324) = ( 0.8154935 -0.0153541 0.0195093), wk = 0.0018939 k( 325) = ( 0.8142013 -0.0232406 0.0295301), wk = 0.0018939 k( 326) = ( 0.8129090 -0.0311271 0.0395510), wk = 0.0018939 k( 327) = ( 0.8116167 -0.0390136 0.0495718), wk = 0.0018939 k( 328) = ( 0.8103244 -0.0469001 0.0595926), wk = 0.0018939 k( 329) = ( 0.8090322 -0.0547867 0.0696134), wk = 0.0018939 k( 330) = ( 0.8077399 -0.0626732 0.0796343), wk = 0.0018939 k( 331) = ( 0.8064476 -0.0705597 0.0896551), wk = 0.0018939 k( 332) = ( 0.8051553 -0.0784462 0.0996759), wk = 0.0018939 k( 333) = ( 0.8038631 -0.0863327 0.1096968), wk = 0.0018939 k( 334) = ( 0.8025708 -0.0942192 0.1197176), wk = 0.0018939 k( 335) = ( 0.8012785 -0.1021058 0.1297384), wk = 0.0018939 k( 336) = ( 0.7999862 -0.1099923 0.1397593), wk = 0.0018939 k( 337) = ( 0.7986940 -0.1178788 0.1497801), wk = 0.0018939 k( 338) = ( 0.7974017 -0.1257653 0.1598009), wk = 0.0018939 k( 339) = ( 0.7961094 -0.1336518 0.1698218), wk = 0.0018939 k( 340) = ( 0.7948171 -0.1415383 0.1798426), wk = 0.0018939 k( 341) = ( 0.7935249 -0.1494249 0.1898634), wk = 0.0018939 k( 342) = ( 0.7922326 -0.1573114 0.1998843), wk = 0.0018939 k( 343) = ( 0.7909403 -0.1651979 0.2099051), wk = 0.0018939 k( 344) = ( 0.7896480 -0.1730844 0.2199259), wk = 0.0018939 k( 345) = ( 0.7883558 -0.1809709 0.2299468), wk = 0.0018939 k( 346) = ( 0.7883558 -0.1809709 0.2299468), wk = 0.0018939 k( 347) = ( 0.7811469 -0.1784949 0.2401865), wk = 0.0018939 k( 348) = ( 0.7739380 -0.1760189 0.2504262), wk = 0.0018939 k( 349) = ( 0.7667291 -0.1735428 0.2606659), wk = 0.0018939 k( 350) = ( 0.7595202 -0.1710668 0.2709056), wk = 0.0018939 k( 351) = ( 0.7523113 -0.1685907 0.2811453), wk = 0.0018939 k( 352) = ( 0.7451024 -0.1661147 0.2913850), wk = 0.0018939 k( 353) = ( 0.7378935 -0.1636387 0.3016247), wk = 0.0018939 k( 354) = ( 0.7306846 -0.1611626 0.3118644), wk = 0.0018939 k( 355) = ( 0.7234757 -0.1586866 0.3221041), wk = 0.0018939 k( 356) = ( 0.7162668 -0.1562105 0.3323438), wk = 0.0018939 k( 357) = ( 0.7090579 -0.1537345 0.3425835), wk = 0.0018939 k( 358) = ( 0.7018490 -0.1512585 0.3528232), wk = 0.0018939 k( 359) = ( 0.6946401 -0.1487824 0.3630629), wk = 0.0018939 k( 360) = ( 0.6874313 -0.1463064 0.3733026), wk = 0.0018939 k( 361) = ( 0.6802224 -0.1438304 0.3835423), wk = 0.0018939 k( 362) = ( 0.6730135 -0.1413543 0.3937820), wk = 0.0018939 k( 363) = ( 0.6658046 -0.1388783 0.4040217), wk = 0.0018939 k( 364) = ( 0.6585957 -0.1364022 0.4142614), wk = 0.0018939 k( 365) = ( 0.6513868 -0.1339262 0.4245011), wk = 0.0018939 k( 366) = ( 0.6441779 -0.1314502 0.4347408), wk = 0.0018939 k( 367) = ( 0.6369690 -0.1289741 0.4449805), wk = 0.0018939 k( 368) = ( 0.6297601 -0.1264981 0.4552202), wk = 0.0018939 k( 369) = ( 0.6225512 -0.1240220 0.4654599), wk = 0.0018939 k( 370) = ( 0.6153423 -0.1215460 0.4756996), wk = 0.0018939 k( 371) = ( 0.6081334 -0.1190700 0.4859393), wk = 0.0018939 k( 372) = ( 0.6009245 -0.1165939 0.4961790), wk = 0.0018939 k( 373) = ( 0.5937156 -0.1141179 0.5064187), wk = 0.0018939 k( 374) = ( 0.5865067 -0.1116418 0.5166584), wk = 0.0018939 k( 375) = ( 0.5792978 -0.1091658 0.5268981), wk = 0.0018939 k( 376) = ( 0.5720889 -0.1066898 0.5371378), wk = 0.0018939 k( 377) = ( 0.5648800 -0.1042137 0.5473775), wk = 0.0018939 k( 378) = ( 0.5576712 -0.1017377 0.5576172), wk = 0.0018939 k( 379) = ( 0.5504623 -0.0992616 0.5678569), wk = 0.0018939 k( 380) = ( 0.5432534 -0.0967856 0.5780966), wk = 0.0018939 k( 381) = ( 0.5360445 -0.0943096 0.5883363), wk = 0.0018939 k( 382) = ( 0.5288356 -0.0918335 0.5985760), wk = 0.0018939 k( 383) = ( 0.5216267 -0.0893575 0.6088157), wk = 0.0018939 k( 384) = ( 0.5144178 -0.0868814 0.6190554), wk = 0.0018939 k( 385) = ( 0.5072089 -0.0844054 0.6292951), wk = 0.0018939 k( 386) = ( 0.5000000 -0.0819294 0.6395348), wk = 0.0018939 k( 387) = ( 0.5000000 0.6408757 -0.0706782), wk = 0.0018939 k( 388) = ( 0.5000000 0.6308368 -0.0785790), wk = 0.0018939 k( 389) = ( 0.5000000 0.6207978 -0.0864798), wk = 0.0018939 k( 390) = ( 0.5000000 0.6107589 -0.0943805), wk = 0.0018939 k( 391) = ( 0.5000000 0.6007199 -0.1022813), wk = 0.0018939 k( 392) = ( 0.5000000 0.5906810 -0.1101821), wk = 0.0018939 k( 393) = ( 0.5000000 0.5806420 -0.1180829), wk = 0.0018939 k( 394) = ( 0.5000000 0.5706030 -0.1259837), wk = 0.0018939 k( 395) = ( 0.5000000 0.5605641 -0.1338845), wk = 0.0018939 k( 396) = ( 0.5000000 0.5505251 -0.1417853), wk = 0.0018939 k( 397) = ( 0.5000000 0.5404862 -0.1496861), wk = 0.0018939 k( 398) = ( 0.5000000 0.5304472 -0.1575868), wk = 0.0018939 k( 399) = ( 0.5000000 0.5204082 -0.1654876), wk = 0.0018939 k( 400) = ( 0.5000000 0.5103693 -0.1733884), wk = 0.0018939 k( 401) = ( 0.5000000 0.5003303 -0.1812892), wk = 0.0018939 k( 402) = ( 0.5000000 0.4902914 -0.1891900), wk = 0.0018939 k( 403) = ( 0.5000000 0.4802524 -0.1970908), wk = 0.0018939 k( 404) = ( 0.5000000 0.4702134 -0.2049916), wk = 0.0018939 k( 405) = ( 0.5000000 0.4601745 -0.2128923), wk = 0.0018939 k( 406) = ( 0.5000000 0.4501355 -0.2207931), wk = 0.0018939 k( 407) = ( 0.5000000 0.4400966 -0.2286939), wk = 0.0018939 k( 408) = ( 0.5000000 0.4300576 -0.2365947), wk = 0.0018939 k( 409) = ( 0.5000000 0.4200186 -0.2444955), wk = 0.0018939 k( 410) = ( 0.5000000 0.4099797 -0.2523963), wk = 0.0018939 k( 411) = ( 0.5000000 0.3999407 -0.2602970), wk = 0.0018939 k( 412) = ( 0.5000000 0.3899018 -0.2681978), wk = 0.0018939 k( 413) = ( 0.5000000 0.3798628 -0.2760986), wk = 0.0018939 k( 414) = ( 0.5000000 0.3698238 -0.2839994), wk = 0.0018939 k( 415) = ( 0.5000000 0.3597849 -0.2919002), wk = 0.0018939 k( 416) = ( 0.5000000 0.3497459 -0.2998010), wk = 0.0018939 k( 417) = ( 0.5000000 0.3397070 -0.3077018), wk = 0.0018939 k( 418) = ( 0.5000000 0.3296680 -0.3156026), wk = 0.0018939 k( 419) = ( 0.5000000 0.3196290 -0.3235033), wk = 0.0018939 k( 420) = ( 0.5000000 0.3095901 -0.3314041), wk = 0.0018939 k( 421) = ( 0.5000000 0.2995511 -0.3393049), wk = 0.0018939 k( 422) = ( 0.5000000 0.2895122 -0.3472057), wk = 0.0018939 k( 423) = ( 0.5000000 0.2794732 -0.3551065), wk = 0.0018939 k( 424) = ( 0.0000000 0.6216196 0.4892223), wk = 0.0018939 k( 425) = ( 0.0096202 0.6269967 0.4823899), wk = 0.0018939 k( 426) = ( 0.0192404 0.6323739 0.4755575), wk = 0.0018939 k( 427) = ( 0.0288606 0.6377511 0.4687251), wk = 0.0018939 k( 428) = ( 0.0384808 0.6431282 0.4618927), wk = 0.0018939 k( 429) = ( 0.0481010 0.6485054 0.4550604), wk = 0.0018939 k( 430) = ( 0.0577211 0.6538826 0.4482280), wk = 0.0018939 k( 431) = ( 0.0673413 0.6592598 0.4413956), wk = 0.0018939 k( 432) = ( 0.0769615 0.6646369 0.4345632), wk = 0.0018939 k( 433) = ( 0.0865817 0.6700141 0.4277308), wk = 0.0018939 k( 434) = ( 0.0962019 0.6753913 0.4208984), wk = 0.0018939 k( 435) = ( 0.1058221 0.6807685 0.4140660), wk = 0.0018939 k( 436) = ( 0.1154423 0.6861456 0.4072337), wk = 0.0018939 k( 437) = ( 0.1250625 0.6915228 0.4004013), wk = 0.0018939 k( 438) = ( 0.1346827 0.6969000 0.3935689), wk = 0.0018939 k( 439) = ( 0.1443029 0.7022771 0.3867365), wk = 0.0018939 k( 440) = ( 0.1539231 0.7076543 0.3799041), wk = 0.0018939 k( 441) = ( 0.1635433 0.7130315 0.3730717), wk = 0.0018939 k( 442) = ( 0.1731635 0.7184087 0.3662394), wk = 0.0018939 k( 443) = ( 0.1827836 0.7237858 0.3594070), wk = 0.0018939 k( 444) = ( 0.1924038 0.7291630 0.3525746), wk = 0.0018939 k( 445) = ( 0.2020240 0.7345402 0.3457422), wk = 0.0018939 k( 446) = ( 0.2116442 0.7399173 0.3389098), wk = 0.0018939 k( 447) = ( 0.7883558 -0.1809709 0.2299468), wk = 0.0018939 k( 448) = ( 0.7787439 -0.1863435 0.2367732), wk = 0.0018939 k( 449) = ( 0.7691320 -0.1917160 0.2435997), wk = 0.0018939 k( 450) = ( 0.7595202 -0.1970885 0.2504262), wk = 0.0018939 k( 451) = ( 0.7499083 -0.2024610 0.2572526), wk = 0.0018939 k( 452) = ( 0.7402965 -0.2078335 0.2640791), wk = 0.0018939 k( 453) = ( 0.7306846 -0.2132060 0.2709056), wk = 0.0018939 k( 454) = ( 0.7210728 -0.2185785 0.2777320), wk = 0.0018939 k( 455) = ( 0.7114609 -0.2239511 0.2845585), wk = 0.0018939 k( 456) = ( 0.7018490 -0.2293236 0.2913850), wk = 0.0018939 k( 457) = ( 0.6922372 -0.2346961 0.2982114), wk = 0.0018939 k( 458) = ( 0.6826253 -0.2400686 0.3050379), wk = 0.0018939 k( 459) = ( 0.6730135 -0.2454411 0.3118644), wk = 0.0018939 k( 460) = ( 0.6634016 -0.2508136 0.3186908), wk = 0.0018939 k( 461) = ( 0.6537897 -0.2561861 0.3255173), wk = 0.0018939 k( 462) = ( 0.6441779 -0.2615587 0.3323438), wk = 0.0018939 k( 463) = ( 0.6345660 -0.2669312 0.3391702), wk = 0.0018939 k( 464) = ( 0.6249542 -0.2723037 0.3459967), wk = 0.0018939 k( 465) = ( 0.6153423 -0.2776762 0.3528232), wk = 0.0018939 k( 466) = ( 0.6057305 -0.2830487 0.3596496), wk = 0.0018939 k( 467) = ( 0.5961186 -0.2884212 0.3664761), wk = 0.0018939 k( 468) = ( 0.5865067 -0.2937937 0.3733026), wk = 0.0018939 k( 469) = ( 0.5768949 -0.2991663 0.3801290), wk = 0.0018939 k( 470) = ( 0.5672830 -0.3045388 0.3869555), wk = 0.0018939 k( 471) = ( 0.5576712 -0.3099113 0.3937820), wk = 0.0018939 k( 472) = ( 0.5480593 -0.3152838 0.4006084), wk = 0.0018939 k( 473) = ( 0.5384474 -0.3206563 0.4074349), wk = 0.0018939 k( 474) = ( 0.5288356 -0.3260288 0.4142614), wk = 0.0018939 k( 475) = ( 0.5192237 -0.3314013 0.4210878), wk = 0.0018939 k( 476) = ( 0.5096119 -0.3367738 0.4279143), wk = 0.0018939 k( 477) = ( 0.5000000 -0.3421464 0.4347408), wk = 0.0018939 k( 478) = ( 0.5000000 0.2794732 0.2844283), wk = 0.0018939 k( 479) = ( 0.4900000 0.2738837 0.2787397), wk = 0.0018939 k( 480) = ( 0.4800000 0.2682943 0.2730512), wk = 0.0018939 k( 481) = ( 0.4700000 0.2627048 0.2673626), wk = 0.0018939 k( 482) = ( 0.4600000 0.2571153 0.2616740), wk = 0.0018939 k( 483) = ( 0.4500000 0.2515259 0.2559855), wk = 0.0018939 k( 484) = ( 0.4400000 0.2459364 0.2502969), wk = 0.0018939 k( 485) = ( 0.4300000 0.2403469 0.2446083), wk = 0.0018939 k( 486) = ( 0.4200000 0.2347575 0.2389198), wk = 0.0018939 k( 487) = ( 0.4100000 0.2291680 0.2332312), wk = 0.0018939 k( 488) = ( 0.4000000 0.2235786 0.2275426), wk = 0.0018939 k( 489) = ( 0.3900000 0.2179891 0.2218541), wk = 0.0018939 k( 490) = ( 0.3800000 0.2123996 0.2161655), wk = 0.0018939 k( 491) = ( 0.3700000 0.2068102 0.2104769), wk = 0.0018939 k( 492) = ( 0.3600000 0.2012207 0.2047884), wk = 0.0018939 k( 493) = ( 0.3500000 0.1956312 0.1990998), wk = 0.0018939 k( 494) = ( 0.3400000 0.1900418 0.1934112), wk = 0.0018939 k( 495) = ( 0.3300000 0.1844523 0.1877227), wk = 0.0018939 k( 496) = ( 0.3200000 0.1788628 0.1820341), wk = 0.0018939 k( 497) = ( 0.3100000 0.1732734 0.1763455), wk = 0.0018939 k( 498) = ( 0.3000000 0.1676839 0.1706570), wk = 0.0018939 k( 499) = ( 0.2900000 0.1620945 0.1649684), wk = 0.0018939 k( 500) = ( 0.2800000 0.1565050 0.1592798), wk = 0.0018939 k( 501) = ( 0.2700000 0.1509155 0.1535913), wk = 0.0018939 k( 502) = ( 0.2600000 0.1453261 0.1479027), wk = 0.0018939 k( 503) = ( 0.2500000 0.1397366 0.1422141), wk = 0.0018939 k( 504) = ( 0.2400000 0.1341471 0.1365256), wk = 0.0018939 k( 505) = ( 0.2300000 0.1285577 0.1308370), wk = 0.0018939 k( 506) = ( 0.2200000 0.1229682 0.1251484), wk = 0.0018939 k( 507) = ( 0.2100000 0.1173787 0.1194599), wk = 0.0018939 k( 508) = ( 0.2000000 0.1117893 0.1137713), wk = 0.0018939 k( 509) = ( 0.1900000 0.1061998 0.1080827), wk = 0.0018939 k( 510) = ( 0.1800000 0.1006104 0.1023942), wk = 0.0018939 k( 511) = ( 0.1700000 0.0950209 0.0967056), wk = 0.0018939 k( 512) = ( 0.1600000 0.0894314 0.0910171), wk = 0.0018939 k( 513) = ( 0.1500000 0.0838420 0.0853285), wk = 0.0018939 k( 514) = ( 0.1400000 0.0782525 0.0796399), wk = 0.0018939 k( 515) = ( 0.1300000 0.0726630 0.0739514), wk = 0.0018939 k( 516) = ( 0.1200000 0.0670736 0.0682628), wk = 0.0018939 k( 517) = ( 0.1100000 0.0614841 0.0625742), wk = 0.0018939 k( 518) = ( 0.1000000 0.0558946 0.0568857), wk = 0.0018939 k( 519) = ( 0.0900000 0.0503052 0.0511971), wk = 0.0018939 k( 520) = ( 0.0800000 0.0447157 0.0455085), wk = 0.0018939 k( 521) = ( 0.0700000 0.0391262 0.0398200), wk = 0.0018939 k( 522) = ( 0.0600000 0.0335368 0.0341314), wk = 0.0018939 k( 523) = ( 0.0500000 0.0279473 0.0284428), wk = 0.0018939 k( 524) = ( 0.0400000 0.0223579 0.0227543), wk = 0.0018939 k( 525) = ( 0.0300000 0.0167684 0.0170657), wk = 0.0018939 k( 526) = ( 0.0200000 0.0111789 0.0113771), wk = 0.0018939 k( 527) = ( 0.0100000 0.0055895 0.0056886), wk = 0.0018939 k( 528) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 k( 2) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0018939 k( 3) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0018939 k( 4) = ( 0.0258621 -0.0000000 0.0258621), wk = 0.0018939 k( 5) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0018939 k( 6) = ( 0.0431035 -0.0000000 0.0431035), wk = 0.0018939 k( 7) = ( 0.0517241 -0.0000000 0.0517241), wk = 0.0018939 k( 8) = ( 0.0603448 -0.0000000 0.0603448), wk = 0.0018939 k( 9) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0018939 k( 10) = ( 0.0775862 -0.0000000 0.0775862), wk = 0.0018939 k( 11) = ( 0.0862069 -0.0000000 0.0862069), wk = 0.0018939 k( 12) = ( 0.0948276 -0.0000000 0.0948276), wk = 0.0018939 k( 13) = ( 0.1034483 -0.0000000 0.1034483), wk = 0.0018939 k( 14) = ( 0.1120690 -0.0000000 0.1120690), wk = 0.0018939 k( 15) = ( 0.1206897 -0.0000000 0.1206897), wk = 0.0018939 k( 16) = ( 0.1293103 -0.0000000 0.1293103), wk = 0.0018939 k( 17) = ( 0.1379310 -0.0000000 0.1379310), wk = 0.0018939 k( 18) = ( 0.1465517 -0.0000000 0.1465517), wk = 0.0018939 k( 19) = ( 0.1551724 -0.0000000 0.1551724), wk = 0.0018939 k( 20) = ( 0.1637931 -0.0000000 0.1637931), wk = 0.0018939 k( 21) = ( 0.1724138 -0.0000000 0.1724138), wk = 0.0018939 k( 22) = ( 0.1810345 -0.0000000 0.1810345), wk = 0.0018939 k( 23) = ( 0.1896552 -0.0000000 0.1896552), wk = 0.0018939 k( 24) = ( 0.1982759 -0.0000000 0.1982759), wk = 0.0018939 k( 25) = ( 0.2068966 -0.0000000 0.2068966), wk = 0.0018939 k( 26) = ( 0.2155172 -0.0000000 0.2155172), wk = 0.0018939 k( 27) = ( 0.2241379 -0.0000000 0.2241379), wk = 0.0018939 k( 28) = ( 0.2327586 -0.0000000 0.2327586), wk = 0.0018939 k( 29) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0018939 k( 30) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0018939 k( 31) = ( 0.2586207 -0.0000000 0.2586207), wk = 0.0018939 k( 32) = ( 0.2672414 -0.0000000 0.2672414), wk = 0.0018939 k( 33) = ( 0.2758621 -0.0000000 0.2758621), wk = 0.0018939 k( 34) = ( 0.2844828 -0.0000000 0.2844828), wk = 0.0018939 k( 35) = ( 0.2931034 -0.0000000 0.2931034), wk = 0.0018939 k( 36) = ( 0.3017241 -0.0000000 0.3017241), wk = 0.0018939 k( 37) = ( 0.3103448 -0.0000000 0.3103448), wk = 0.0018939 k( 38) = ( 0.3189655 -0.0000000 0.3189655), wk = 0.0018939 k( 39) = ( 0.3275862 -0.0000000 0.3275862), wk = 0.0018939 k( 40) = ( 0.3362069 -0.0000000 0.3362069), wk = 0.0018939 k( 41) = ( 0.3448276 -0.0000000 0.3448276), wk = 0.0018939 k( 42) = ( 0.3534483 -0.0000000 0.3534483), wk = 0.0018939 k( 43) = ( 0.3620690 -0.0000000 0.3620690), wk = 0.0018939 k( 44) = ( 0.3706897 -0.0000000 0.3706897), wk = 0.0018939 k( 45) = ( 0.3793103 -0.0000000 0.3793103), wk = 0.0018939 k( 46) = ( 0.3879310 -0.0000000 0.3879310), wk = 0.0018939 k( 47) = ( 0.3965517 -0.0000000 0.3965517), wk = 0.0018939 k( 48) = ( 0.4051724 -0.0000000 0.4051724), wk = 0.0018939 k( 49) = ( 0.4137931 -0.0000000 0.4137931), wk = 0.0018939 k( 50) = ( 0.4224138 -0.0000000 0.4224138), wk = 0.0018939 k( 51) = ( 0.4310345 -0.0000000 0.4310345), wk = 0.0018939 k( 52) = ( 0.4396552 -0.0000000 0.4396552), wk = 0.0018939 k( 53) = ( 0.4482759 -0.0000000 0.4482759), wk = 0.0018939 k( 54) = ( 0.4568966 -0.0000000 0.4568966), wk = 0.0018939 k( 55) = ( 0.4655172 -0.0000000 0.4655172), wk = 0.0018939 k( 56) = ( 0.4741379 -0.0000000 0.4741379), wk = 0.0018939 k( 57) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0018939 k( 58) = ( 0.4913793 -0.0000000 0.4913793), wk = 0.0018939 k( 59) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018939 k( 60) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018939 k( 61) = ( 0.5000000 0.0080502 0.5080502), wk = 0.0018939 k( 62) = ( 0.5000000 0.0161004 0.5161004), wk = 0.0018939 k( 63) = ( 0.5000000 0.0241506 0.5241507), wk = 0.0018939 k( 64) = ( 0.5000000 0.0322009 0.5322009), wk = 0.0018939 k( 65) = ( 0.5000000 0.0402511 0.5402511), wk = 0.0018939 k( 66) = ( 0.5000000 0.0483013 0.5483013), wk = 0.0018939 k( 67) = ( 0.5000000 0.0563515 0.5563515), wk = 0.0018939 k( 68) = ( 0.5000000 0.0644017 0.5644018), wk = 0.0018939 k( 69) = ( 0.5000000 0.0724520 0.5724520), wk = 0.0018939 k( 70) = ( 0.5000000 0.0805022 0.5805022), wk = 0.0018939 k( 71) = ( 0.5000000 0.0885524 0.5885524), wk = 0.0018939 k( 72) = ( 0.5000000 0.0966026 0.5966026), wk = 0.0018939 k( 73) = ( 0.5000000 0.1046528 0.6046528), wk = 0.0018939 k( 74) = ( 0.5000000 0.1127031 0.6127031), wk = 0.0018939 k( 75) = ( 0.5000000 0.1207533 0.6207533), wk = 0.0018939 k( 76) = ( 0.5000000 0.1288035 0.6288035), wk = 0.0018939 k( 77) = ( 0.5000000 0.1368537 0.6368537), wk = 0.0018939 k( 78) = ( 0.5000000 0.1449039 0.6449039), wk = 0.0018939 k( 79) = ( 0.5000000 0.1529542 0.6529542), wk = 0.0018939 k( 80) = ( 0.5000000 0.1610044 0.6610044), wk = 0.0018939 k( 81) = ( 0.5000000 0.1690546 0.6690546), wk = 0.0018939 k( 82) = ( 0.5000000 0.1771048 0.6771048), wk = 0.0018939 k( 83) = ( 0.5000000 0.1851550 0.6851550), wk = 0.0018939 k( 84) = ( 0.5000000 0.1932052 0.6932052), wk = 0.0018939 k( 85) = ( 0.5000000 0.2012555 0.7012555), wk = 0.0018939 k( 86) = ( 0.5000000 0.2093057 0.7093057), wk = 0.0018939 k( 87) = ( 0.5000000 0.2093057 0.7093057), wk = 0.0018939 k( 88) = ( 0.4937091 0.2148960 0.7086051), wk = 0.0018939 k( 89) = ( 0.4874183 0.2204862 0.7079045), wk = 0.0018939 k( 90) = ( 0.4811275 0.2260765 0.7072040), wk = 0.0018939 k( 91) = ( 0.4748366 0.2316668 0.7065034), wk = 0.0018939 k( 92) = ( 0.4685458 0.2372570 0.7058028), wk = 0.0018939 k( 93) = ( 0.4622549 0.2428473 0.7051023), wk = 0.0018939 k( 94) = ( 0.4559641 0.2484376 0.7044017), wk = 0.0018939 k( 95) = ( 0.4496732 0.2540279 0.7037011), wk = 0.0018939 k( 96) = ( 0.4433824 0.2596181 0.7030005), wk = 0.0018939 k( 97) = ( 0.4370915 0.2652084 0.7023000), wk = 0.0018939 k( 98) = ( 0.4308007 0.2707987 0.7015994), wk = 0.0018939 k( 99) = ( 0.4245098 0.2763890 0.7008988), wk = 0.0018939 k( 100) = ( 0.4182190 0.2819793 0.7001983), wk = 0.0018939 k( 101) = ( 0.4119281 0.2875695 0.6994977), wk = 0.0018939 k( 102) = ( 0.4056373 0.2931598 0.6987971), wk = 0.0018939 k( 103) = ( 0.3993465 0.2987501 0.6980965), wk = 0.0018939 k( 104) = ( 0.3930556 0.3043404 0.6973960), wk = 0.0018939 k( 105) = ( 0.3867648 0.3099306 0.6966954), wk = 0.0018939 k( 106) = ( 0.3804739 0.3155209 0.6959948), wk = 0.0018939 k( 107) = ( 0.3741831 0.3211112 0.6952943), wk = 0.0018939 k( 108) = ( 0.3678922 0.3267015 0.6945937), wk = 0.0018939 k( 109) = ( 0.3616014 0.3322917 0.6938931), wk = 0.0018939 k( 110) = ( 0.3553105 0.3378820 0.6931925), wk = 0.0018939 k( 111) = ( 0.3490197 0.3434723 0.6924920), wk = 0.0018939 k( 112) = ( 0.3427288 0.3490626 0.6917914), wk = 0.0018939 k( 113) = ( 0.3364380 0.3546528 0.6910908), wk = 0.0018939 k( 114) = ( 0.3301472 0.3602431 0.6903903), wk = 0.0018939 k( 115) = ( 0.3238563 0.3658334 0.6896897), wk = 0.0018939 k( 116) = ( 0.3175655 0.3714237 0.6889891), wk = 0.0018939 k( 117) = ( 0.3112746 0.3770139 0.6882885), wk = 0.0018939 k( 118) = ( 0.3049838 0.3826042 0.6875880), wk = 0.0018939 k( 119) = ( 0.2986929 0.3881945 0.6868874), wk = 0.0018939 k( 120) = ( 0.2924021 0.3937848 0.6861868), wk = 0.0018939 k( 121) = ( 0.2861112 0.3993750 0.6854863), wk = 0.0018939 k( 122) = ( 0.2798204 0.4049653 0.6847857), wk = 0.0018939 k( 123) = ( 0.2735295 0.4105556 0.6840851), wk = 0.0018939 k( 124) = ( 0.2672387 0.4161459 0.6833846), wk = 0.0018939 k( 125) = ( 0.2609478 0.4217361 0.6826840), wk = 0.0018939 k( 126) = ( 0.2546570 0.4273264 0.6819834), wk = 0.0018939 k( 127) = ( 0.2483661 0.4329167 0.6812828), wk = 0.0018939 k( 128) = ( 0.2420753 0.4385070 0.6805823), wk = 0.0018939 k( 129) = ( 0.2357845 0.4440973 0.6798817), wk = 0.0018939 k( 130) = ( 0.2294936 0.4496875 0.6791811), wk = 0.0018939 k( 131) = ( 0.2232028 0.4552778 0.6784806), wk = 0.0018939 k( 132) = ( 0.2169119 0.4608681 0.6777800), wk = 0.0018939 k( 133) = ( 0.2106211 0.4664584 0.6770794), wk = 0.0018939 k( 134) = ( 0.2043302 0.4720486 0.6763788), wk = 0.0018939 k( 135) = ( 0.1980394 0.4776389 0.6756783), wk = 0.0018939 k( 136) = ( 0.1917485 0.4832292 0.6749777), wk = 0.0018939 k( 137) = ( 0.1854577 0.4888194 0.6742771), wk = 0.0018939 k( 138) = ( 0.1791668 0.4944097 0.6735766), wk = 0.0018939 k( 139) = ( 0.1728760 0.5000000 0.6728760), wk = 0.0018939 k( 140) = ( 0.1728760 0.5000000 0.6728760), wk = 0.0018939 k( 141) = ( 0.1642322 0.5000000 0.6642322), wk = 0.0018939 k( 142) = ( 0.1555884 0.5000000 0.6555884), wk = 0.0018939 k( 143) = ( 0.1469446 0.5000000 0.6469446), wk = 0.0018939 k( 144) = ( 0.1383008 0.5000000 0.6383008), wk = 0.0018939 k( 145) = ( 0.1296570 0.5000000 0.6296570), wk = 0.0018939 k( 146) = ( 0.1210132 0.5000000 0.6210132), wk = 0.0018939 k( 147) = ( 0.1123694 0.5000000 0.6123694), wk = 0.0018939 k( 148) = ( 0.1037256 0.5000000 0.6037256), wk = 0.0018939 k( 149) = ( 0.0950818 0.5000000 0.5950818), wk = 0.0018939 k( 150) = ( 0.0864380 0.5000000 0.5864380), wk = 0.0018939 k( 151) = ( 0.0777942 0.5000000 0.5777942), wk = 0.0018939 k( 152) = ( 0.0691504 0.5000000 0.5691504), wk = 0.0018939 k( 153) = ( 0.0605066 0.5000000 0.5605066), wk = 0.0018939 k( 154) = ( 0.0518628 0.5000000 0.5518628), wk = 0.0018939 k( 155) = ( 0.0432190 0.5000000 0.5432190), wk = 0.0018939 k( 156) = ( 0.0345752 0.5000000 0.5345752), wk = 0.0018939 k( 157) = ( 0.0259314 0.5000000 0.5259314), wk = 0.0018939 k( 158) = ( 0.0172876 0.5000000 0.5172876), wk = 0.0018939 k( 159) = ( 0.0086438 0.5000000 0.5086438), wk = 0.0018939 k( 160) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018939 k( 161) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018939 k( 162) = ( 0.0000000 0.4918033 0.4918033), wk = 0.0018939 k( 163) = ( 0.0000000 0.4836066 0.4836066), wk = 0.0018939 k( 164) = ( 0.0000000 0.4754098 0.4754098), wk = 0.0018939 k( 165) = ( 0.0000000 0.4672131 0.4672131), wk = 0.0018939 k( 166) = ( 0.0000000 0.4590164 0.4590164), wk = 0.0018939 k( 167) = ( 0.0000000 0.4508197 0.4508197), wk = 0.0018939 k( 168) = ( 0.0000000 0.4426230 0.4426230), wk = 0.0018939 k( 169) = ( 0.0000000 0.4344262 0.4344262), wk = 0.0018939 k( 170) = ( 0.0000000 0.4262295 0.4262295), wk = 0.0018939 k( 171) = ( 0.0000000 0.4180328 0.4180328), wk = 0.0018939 k( 172) = ( 0.0000000 0.4098361 0.4098361), wk = 0.0018939 k( 173) = ( 0.0000000 0.4016393 0.4016393), wk = 0.0018939 k( 174) = ( 0.0000000 0.3934426 0.3934426), wk = 0.0018939 k( 175) = ( 0.0000000 0.3852459 0.3852459), wk = 0.0018939 k( 176) = ( 0.0000000 0.3770492 0.3770492), wk = 0.0018939 k( 177) = ( 0.0000000 0.3688525 0.3688525), wk = 0.0018939 k( 178) = ( 0.0000000 0.3606557 0.3606557), wk = 0.0018939 k( 179) = ( 0.0000000 0.3524590 0.3524590), wk = 0.0018939 k( 180) = ( 0.0000000 0.3442623 0.3442623), wk = 0.0018939 k( 181) = ( 0.0000000 0.3360656 0.3360656), wk = 0.0018939 k( 182) = ( 0.0000000 0.3278689 0.3278688), wk = 0.0018939 k( 183) = ( 0.0000000 0.3196721 0.3196721), wk = 0.0018939 k( 184) = ( 0.0000000 0.3114754 0.3114754), wk = 0.0018939 k( 185) = ( 0.0000000 0.3032787 0.3032787), wk = 0.0018939 k( 186) = ( 0.0000000 0.2950820 0.2950820), wk = 0.0018939 k( 187) = ( 0.0000000 0.2868852 0.2868853), wk = 0.0018939 k( 188) = ( 0.0000000 0.2786885 0.2786885), wk = 0.0018939 k( 189) = ( 0.0000000 0.2704918 0.2704918), wk = 0.0018939 k( 190) = ( 0.0000000 0.2622951 0.2622951), wk = 0.0018939 k( 191) = ( 0.0000000 0.2540984 0.2540984), wk = 0.0018939 k( 192) = ( 0.0000000 0.2459016 0.2459016), wk = 0.0018939 k( 193) = ( 0.0000000 0.2377049 0.2377049), wk = 0.0018939 k( 194) = ( 0.0000000 0.2295082 0.2295082), wk = 0.0018939 k( 195) = ( 0.0000000 0.2213115 0.2213115), wk = 0.0018939 k( 196) = ( 0.0000000 0.2131147 0.2131147), wk = 0.0018939 k( 197) = ( 0.0000000 0.2049180 0.2049180), wk = 0.0018939 k( 198) = ( 0.0000000 0.1967213 0.1967213), wk = 0.0018939 k( 199) = ( 0.0000000 0.1885246 0.1885246), wk = 0.0018939 k( 200) = ( 0.0000000 0.1803279 0.1803279), wk = 0.0018939 k( 201) = ( 0.0000000 0.1721312 0.1721312), wk = 0.0018939 k( 202) = ( 0.0000000 0.1639344 0.1639344), wk = 0.0018939 k( 203) = ( 0.0000000 0.1557377 0.1557377), wk = 0.0018939 k( 204) = ( 0.0000000 0.1475410 0.1475410), wk = 0.0018939 k( 205) = ( 0.0000000 0.1393443 0.1393443), wk = 0.0018939 k( 206) = ( 0.0000000 0.1311475 0.1311475), wk = 0.0018939 k( 207) = ( 0.0000000 0.1229508 0.1229508), wk = 0.0018939 k( 208) = ( 0.0000000 0.1147541 0.1147541), wk = 0.0018939 k( 209) = ( 0.0000000 0.1065574 0.1065574), wk = 0.0018939 k( 210) = ( 0.0000000 0.0983607 0.0983607), wk = 0.0018939 k( 211) = ( 0.0000000 0.0901639 0.0901639), wk = 0.0018939 k( 212) = ( 0.0000000 0.0819672 0.0819672), wk = 0.0018939 k( 213) = ( 0.0000000 0.0737705 0.0737705), wk = 0.0018939 k( 214) = ( 0.0000000 0.0655738 0.0655738), wk = 0.0018939 k( 215) = ( 0.0000000 0.0573771 0.0573771), wk = 0.0018939 k( 216) = ( 0.0000000 0.0491803 0.0491803), wk = 0.0018939 k( 217) = ( 0.0000000 0.0409836 0.0409836), wk = 0.0018939 k( 218) = ( 0.0000000 0.0327869 0.0327869), wk = 0.0018939 k( 219) = ( 0.0000000 0.0245902 0.0245902), wk = 0.0018939 k( 220) = ( 0.0000000 0.0163934 0.0163934), wk = 0.0018939 k( 221) = ( 0.0000000 0.0081967 0.0081967), wk = 0.0018939 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 k( 224) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0018939 k( 225) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0018939 k( 226) = ( 0.0288462 0.0288462 -0.0000000), wk = 0.0018939 k( 227) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0018939 k( 228) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0018939 k( 229) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0018939 k( 230) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0018939 k( 231) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0018939 k( 232) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0018939 k( 233) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0018939 k( 234) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0018939 k( 235) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0018939 k( 236) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0018939 k( 237) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0018939 k( 238) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0018939 k( 239) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0018939 k( 240) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0018939 k( 241) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0018939 k( 242) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0018939 k( 243) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0018939 k( 244) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0018939 k( 245) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0018939 k( 246) = ( 0.2211539 0.2211539 -0.0000000), wk = 0.0018939 k( 247) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0018939 k( 248) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0018939 k( 249) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0018939 k( 250) = ( 0.2596154 0.2596154 -0.0000000), wk = 0.0018939 k( 251) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0018939 k( 252) = ( 0.2788462 0.2788462 -0.0000000), wk = 0.0018939 k( 253) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0018939 k( 254) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0018939 k( 255) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0018939 k( 256) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0018939 k( 257) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0018939 k( 258) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0018939 k( 259) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0018939 k( 260) = ( 0.3557692 0.3557692 0.0000000), wk = 0.0018939 k( 261) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0018939 k( 262) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0018939 k( 263) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0018939 k( 264) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0018939 k( 265) = ( 0.4038462 0.4038462 -0.0000000), wk = 0.0018939 k( 266) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0018939 k( 267) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0018939 k( 268) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0018939 k( 269) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0018939 k( 270) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0018939 k( 271) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0018939 k( 272) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0018939 k( 273) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0018939 k( 274) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0018939 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018939 k( 276) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018939 k( 277) = ( 0.5086085 0.5000000 0.0086085), wk = 0.0018939 k( 278) = ( 0.5172170 0.5000000 0.0172171), wk = 0.0018939 k( 279) = ( 0.5258256 0.5000000 0.0258256), wk = 0.0018939 k( 280) = ( 0.5344341 0.5000000 0.0344341), wk = 0.0018939 k( 281) = ( 0.5430426 0.5000000 0.0430426), wk = 0.0018939 k( 282) = ( 0.5516512 0.5000000 0.0516512), wk = 0.0018939 k( 283) = ( 0.5602597 0.5000000 0.0602597), wk = 0.0018939 k( 284) = ( 0.5688682 0.5000000 0.0688682), wk = 0.0018939 k( 285) = ( 0.5774767 0.5000000 0.0774767), wk = 0.0018939 k( 286) = ( 0.5860853 0.5000000 0.0860853), wk = 0.0018939 k( 287) = ( 0.5946938 0.5000000 0.0946938), wk = 0.0018939 k( 288) = ( 0.6033023 0.5000000 0.1033023), wk = 0.0018939 k( 289) = ( 0.6119109 0.5000000 0.1119108), wk = 0.0018939 k( 290) = ( 0.6205194 0.5000000 0.1205194), wk = 0.0018939 k( 291) = ( 0.6291279 0.5000000 0.1291279), wk = 0.0018939 k( 292) = ( 0.6377364 0.5000000 0.1377364), wk = 0.0018939 k( 293) = ( 0.6463450 0.5000000 0.1463449), wk = 0.0018939 k( 294) = ( 0.6549535 0.5000000 0.1549535), wk = 0.0018939 k( 295) = ( 0.6635620 0.5000000 0.1635620), wk = 0.0018939 k( 296) = ( 0.6721705 0.5000000 0.1721705), wk = 0.0018939 k( 297) = ( 0.6807791 0.5000000 0.1807791), wk = 0.0018939 k( 298) = ( 0.6893876 0.5000000 0.1893876), wk = 0.0018939 k( 299) = ( 0.6979961 0.5000000 0.1979961), wk = 0.0018939 k( 300) = ( 0.7066046 0.5000000 0.2066046), wk = 0.0018939 k( 301) = ( 0.7152132 0.5000000 0.2152132), wk = 0.0018939 k( 302) = ( 0.7238217 0.5000000 0.2238217), wk = 0.0018939 k( 303) = ( 0.7324302 0.5000000 0.2324302), wk = 0.0018939 k( 304) = ( 0.7410387 0.5000000 0.2410387), wk = 0.0018939 k( 305) = ( 0.7496473 0.5000000 0.2496473), wk = 0.0018939 k( 306) = ( 0.7582558 0.5000000 0.2582558), wk = 0.0018939 k( 307) = ( 0.7668643 0.5000000 0.2668643), wk = 0.0018939 k( 308) = ( 0.7754728 0.5000000 0.2754728), wk = 0.0018939 k( 309) = ( 0.7840814 0.5000000 0.2840814), wk = 0.0018939 k( 310) = ( 0.7926899 0.5000000 0.2926899), wk = 0.0018939 k( 311) = ( 0.8012984 0.5000000 0.3012984), wk = 0.0018939 k( 312) = ( 0.8099070 0.5000000 0.3099070), wk = 0.0018939 k( 313) = ( 0.8185155 0.5000000 0.3185155), wk = 0.0018939 k( 314) = ( 0.8271240 0.5000000 0.3271240), wk = 0.0018939 k( 315) = ( 0.8271240 0.5000000 0.3271240), wk = 0.0018939 k( 316) = ( 0.8258317 0.4929452 0.3328866), wk = 0.0018939 k( 317) = ( 0.8245395 0.4858904 0.3386491), wk = 0.0018939 k( 318) = ( 0.8232472 0.4788356 0.3444116), wk = 0.0018939 k( 319) = ( 0.8219549 0.4717808 0.3501741), wk = 0.0018939 k( 320) = ( 0.8206626 0.4647260 0.3559367), wk = 0.0018939 k( 321) = ( 0.8193704 0.4576711 0.3616992), wk = 0.0018939 k( 322) = ( 0.8180781 0.4506163 0.3674617), wk = 0.0018939 k( 323) = ( 0.8167858 0.4435615 0.3732243), wk = 0.0018939 k( 324) = ( 0.8154935 0.4365067 0.3789868), wk = 0.0018939 k( 325) = ( 0.8142013 0.4294519 0.3847493), wk = 0.0018939 k( 326) = ( 0.8129090 0.4223971 0.3905119), wk = 0.0018939 k( 327) = ( 0.8116167 0.4153423 0.3962744), wk = 0.0018939 k( 328) = ( 0.8103244 0.4082875 0.4020369), wk = 0.0018939 k( 329) = ( 0.8090322 0.4012327 0.4077995), wk = 0.0018939 k( 330) = ( 0.8077399 0.3941779 0.4135620), wk = 0.0018939 k( 331) = ( 0.8064476 0.3871231 0.4193245), wk = 0.0018939 k( 332) = ( 0.8051553 0.3800683 0.4250871), wk = 0.0018939 k( 333) = ( 0.8038631 0.3730135 0.4308496), wk = 0.0018939 k( 334) = ( 0.8025708 0.3659586 0.4366121), wk = 0.0018939 k( 335) = ( 0.8012785 0.3589039 0.4423747), wk = 0.0018939 k( 336) = ( 0.7999862 0.3518490 0.4481372), wk = 0.0018939 k( 337) = ( 0.7986940 0.3447942 0.4538997), wk = 0.0018939 k( 338) = ( 0.7974017 0.3377394 0.4596623), wk = 0.0018939 k( 339) = ( 0.7961094 0.3306846 0.4654248), wk = 0.0018939 k( 340) = ( 0.7948171 0.3236298 0.4711873), wk = 0.0018939 k( 341) = ( 0.7935249 0.3165750 0.4769499), wk = 0.0018939 k( 342) = ( 0.7922326 0.3095202 0.4827124), wk = 0.0018939 k( 343) = ( 0.7909403 0.3024654 0.4884749), wk = 0.0018939 k( 344) = ( 0.7896480 0.2954106 0.4942375), wk = 0.0018939 k( 345) = ( 0.7883558 0.2883558 0.5000000), wk = 0.0018939 k( 346) = ( 0.7883558 0.2883558 0.5000000), wk = 0.0018939 k( 347) = ( 0.7811469 0.2863795 0.5052326), wk = 0.0018939 k( 348) = ( 0.7739380 0.2844033 0.5104653), wk = 0.0018939 k( 349) = ( 0.7667291 0.2824270 0.5156979), wk = 0.0018939 k( 350) = ( 0.7595202 0.2804508 0.5209306), wk = 0.0018939 k( 351) = ( 0.7523113 0.2784745 0.5261632), wk = 0.0018939 k( 352) = ( 0.7451024 0.2764983 0.5313959), wk = 0.0018939 k( 353) = ( 0.7378935 0.2745220 0.5366285), wk = 0.0018939 k( 354) = ( 0.7306846 0.2725457 0.5418611), wk = 0.0018939 k( 355) = ( 0.7234757 0.2705695 0.5470938), wk = 0.0018939 k( 356) = ( 0.7162668 0.2685933 0.5523264), wk = 0.0018939 k( 357) = ( 0.7090579 0.2666170 0.5575591), wk = 0.0018939 k( 358) = ( 0.7018490 0.2646407 0.5627917), wk = 0.0018939 k( 359) = ( 0.6946401 0.2626645 0.5680243), wk = 0.0018939 k( 360) = ( 0.6874313 0.2606882 0.5732570), wk = 0.0018939 k( 361) = ( 0.6802224 0.2587120 0.5784896), wk = 0.0018939 k( 362) = ( 0.6730135 0.2567357 0.5837223), wk = 0.0018939 k( 363) = ( 0.6658046 0.2547595 0.5889549), wk = 0.0018939 k( 364) = ( 0.6585957 0.2527832 0.5941876), wk = 0.0018939 k( 365) = ( 0.6513868 0.2508070 0.5994202), wk = 0.0018939 k( 366) = ( 0.6441779 0.2488307 0.6046528), wk = 0.0018939 k( 367) = ( 0.6369690 0.2468545 0.6098855), wk = 0.0018939 k( 368) = ( 0.6297601 0.2448782 0.6151181), wk = 0.0018939 k( 369) = ( 0.6225512 0.2429020 0.6203508), wk = 0.0018939 k( 370) = ( 0.6153423 0.2409257 0.6255834), wk = 0.0018939 k( 371) = ( 0.6081334 0.2389495 0.6308160), wk = 0.0018939 k( 372) = ( 0.6009245 0.2369732 0.6360487), wk = 0.0018939 k( 373) = ( 0.5937156 0.2349970 0.6412813), wk = 0.0018939 k( 374) = ( 0.5865067 0.2330207 0.6465140), wk = 0.0018939 k( 375) = ( 0.5792978 0.2310444 0.6517466), wk = 0.0018939 k( 376) = ( 0.5720889 0.2290682 0.6569793), wk = 0.0018939 k( 377) = ( 0.5648800 0.2270919 0.6622119), wk = 0.0018939 k( 378) = ( 0.5576712 0.2251157 0.6674445), wk = 0.0018939 k( 379) = ( 0.5504623 0.2231394 0.6726772), wk = 0.0018939 k( 380) = ( 0.5432534 0.2211632 0.6779098), wk = 0.0018939 k( 381) = ( 0.5360445 0.2191869 0.6831425), wk = 0.0018939 k( 382) = ( 0.5288356 0.2172107 0.6883751), wk = 0.0018939 k( 383) = ( 0.5216267 0.2152344 0.6936077), wk = 0.0018939 k( 384) = ( 0.5144178 0.2132582 0.6988404), wk = 0.0018939 k( 385) = ( 0.5072089 0.2112819 0.7040730), wk = 0.0018939 k( 386) = ( 0.5000000 0.2093057 0.7093057), wk = 0.0018939 k( 387) = ( 0.5000000 0.7906943 0.2906943), wk = 0.0018939 k( 388) = ( 0.5000000 0.7826195 0.2826195), wk = 0.0018939 k( 389) = ( 0.5000000 0.7745446 0.2745446), wk = 0.0018939 k( 390) = ( 0.5000000 0.7664698 0.2664698), wk = 0.0018939 k( 391) = ( 0.5000000 0.7583950 0.2583949), wk = 0.0018939 k( 392) = ( 0.5000000 0.7503201 0.2503201), wk = 0.0018939 k( 393) = ( 0.5000000 0.7422453 0.2422453), wk = 0.0018939 k( 394) = ( 0.5000000 0.7341704 0.2341704), wk = 0.0018939 k( 395) = ( 0.5000000 0.7260956 0.2260956), wk = 0.0018939 k( 396) = ( 0.5000000 0.7180207 0.2180207), wk = 0.0018939 k( 397) = ( 0.5000000 0.7099459 0.2099459), wk = 0.0018939 k( 398) = ( 0.5000000 0.7018711 0.2018711), wk = 0.0018939 k( 399) = ( 0.5000000 0.6937962 0.1937962), wk = 0.0018939 k( 400) = ( 0.5000000 0.6857214 0.1857214), wk = 0.0018939 k( 401) = ( 0.5000000 0.6776465 0.1776465), wk = 0.0018939 k( 402) = ( 0.5000000 0.6695717 0.1695717), wk = 0.0018939 k( 403) = ( 0.5000000 0.6614969 0.1614968), wk = 0.0018939 k( 404) = ( 0.5000000 0.6534220 0.1534220), wk = 0.0018939 k( 405) = ( 0.5000000 0.6453472 0.1453472), wk = 0.0018939 k( 406) = ( 0.5000000 0.6372723 0.1372723), wk = 0.0018939 k( 407) = ( 0.5000000 0.6291975 0.1291975), wk = 0.0018939 k( 408) = ( 0.5000000 0.6211226 0.1211226), wk = 0.0018939 k( 409) = ( 0.5000000 0.6130478 0.1130478), wk = 0.0018939 k( 410) = ( 0.5000000 0.6049730 0.1049729), wk = 0.0018939 k( 411) = ( 0.5000000 0.5968981 0.0968981), wk = 0.0018939 k( 412) = ( 0.5000000 0.5888233 0.0888233), wk = 0.0018939 k( 413) = ( 0.5000000 0.5807484 0.0807484), wk = 0.0018939 k( 414) = ( 0.5000000 0.5726736 0.0726736), wk = 0.0018939 k( 415) = ( 0.5000000 0.5645987 0.0645987), wk = 0.0018939 k( 416) = ( 0.5000000 0.5565239 0.0565239), wk = 0.0018939 k( 417) = ( 0.5000000 0.5484491 0.0484491), wk = 0.0018939 k( 418) = ( 0.5000000 0.5403742 0.0403742), wk = 0.0018939 k( 419) = ( 0.5000000 0.5322994 0.0322994), wk = 0.0018939 k( 420) = ( 0.5000000 0.5242245 0.0242245), wk = 0.0018939 k( 421) = ( 0.5000000 0.5161497 0.0161497), wk = 0.0018939 k( 422) = ( 0.5000000 0.5080748 0.0080748), wk = 0.0018939 k( 423) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018939 k( 424) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018939 k( 425) = ( 0.0096202 0.5096202 0.5000000), wk = 0.0018939 k( 426) = ( 0.0192404 0.5192404 0.5000000), wk = 0.0018939 k( 427) = ( 0.0288606 0.5288606 0.5000000), wk = 0.0018939 k( 428) = ( 0.0384808 0.5384808 0.5000000), wk = 0.0018939 k( 429) = ( 0.0481010 0.5481010 0.5000000), wk = 0.0018939 k( 430) = ( 0.0577211 0.5577211 0.5000000), wk = 0.0018939 k( 431) = ( 0.0673413 0.5673414 0.5000000), wk = 0.0018939 k( 432) = ( 0.0769615 0.5769615 0.5000000), wk = 0.0018939 k( 433) = ( 0.0865817 0.5865817 0.5000000), wk = 0.0018939 k( 434) = ( 0.0962019 0.5962019 0.5000000), wk = 0.0018939 k( 435) = ( 0.1058221 0.6058221 0.5000000), wk = 0.0018939 k( 436) = ( 0.1154423 0.6154423 0.5000000), wk = 0.0018939 k( 437) = ( 0.1250625 0.6250625 0.5000000), wk = 0.0018939 k( 438) = ( 0.1346827 0.6346827 0.5000000), wk = 0.0018939 k( 439) = ( 0.1443029 0.6443029 0.5000000), wk = 0.0018939 k( 440) = ( 0.1539231 0.6539231 0.5000000), wk = 0.0018939 k( 441) = ( 0.1635433 0.6635433 0.5000000), wk = 0.0018939 k( 442) = ( 0.1731635 0.6731635 0.5000000), wk = 0.0018939 k( 443) = ( 0.1827836 0.6827836 0.5000000), wk = 0.0018939 k( 444) = ( 0.1924038 0.6924039 0.5000000), wk = 0.0018939 k( 445) = ( 0.2020240 0.7020240 0.5000000), wk = 0.0018939 k( 446) = ( 0.2116442 0.7116442 0.5000000), wk = 0.0018939 k( 447) = ( 0.7883558 0.2883558 0.5000000), wk = 0.0018939 k( 448) = ( 0.7787439 0.2787439 0.5000000), wk = 0.0018939 k( 449) = ( 0.7691320 0.2691320 0.5000000), wk = 0.0018939 k( 450) = ( 0.7595202 0.2595202 0.5000000), wk = 0.0018939 k( 451) = ( 0.7499083 0.2499083 0.5000000), wk = 0.0018939 k( 452) = ( 0.7402965 0.2402965 0.5000000), wk = 0.0018939 k( 453) = ( 0.7306846 0.2306846 0.5000000), wk = 0.0018939 k( 454) = ( 0.7210728 0.2210728 0.5000000), wk = 0.0018939 k( 455) = ( 0.7114609 0.2114609 0.5000000), wk = 0.0018939 k( 456) = ( 0.7018490 0.2018490 0.5000000), wk = 0.0018939 k( 457) = ( 0.6922372 0.1922372 0.5000000), wk = 0.0018939 k( 458) = ( 0.6826253 0.1826253 0.5000000), wk = 0.0018939 k( 459) = ( 0.6730135 0.1730135 0.5000000), wk = 0.0018939 k( 460) = ( 0.6634016 0.1634016 0.5000000), wk = 0.0018939 k( 461) = ( 0.6537897 0.1537897 0.5000000), wk = 0.0018939 k( 462) = ( 0.6441779 0.1441779 0.5000000), wk = 0.0018939 k( 463) = ( 0.6345660 0.1345660 0.5000000), wk = 0.0018939 k( 464) = ( 0.6249542 0.1249542 0.5000000), wk = 0.0018939 k( 465) = ( 0.6153423 0.1153423 0.5000000), wk = 0.0018939 k( 466) = ( 0.6057305 0.1057304 0.5000000), wk = 0.0018939 k( 467) = ( 0.5961186 0.0961186 0.5000000), wk = 0.0018939 k( 468) = ( 0.5865067 0.0865067 0.5000000), wk = 0.0018939 k( 469) = ( 0.5768949 0.0768949 0.5000000), wk = 0.0018939 k( 470) = ( 0.5672830 0.0672830 0.5000000), wk = 0.0018939 k( 471) = ( 0.5576712 0.0576711 0.5000000), wk = 0.0018939 k( 472) = ( 0.5480593 0.0480593 0.5000000), wk = 0.0018939 k( 473) = ( 0.5384474 0.0384474 0.5000000), wk = 0.0018939 k( 474) = ( 0.5288356 0.0288356 0.5000000), wk = 0.0018939 k( 475) = ( 0.5192237 0.0192237 0.5000000), wk = 0.0018939 k( 476) = ( 0.5096119 0.0096119 0.5000000), wk = 0.0018939 k( 477) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018939 k( 478) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018939 k( 479) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0018939 k( 480) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0018939 k( 481) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0018939 k( 482) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0018939 k( 483) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0018939 k( 484) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0018939 k( 485) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0018939 k( 486) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0018939 k( 487) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0018939 k( 488) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0018939 k( 489) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0018939 k( 490) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0018939 k( 491) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0018939 k( 492) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0018939 k( 493) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0018939 k( 494) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0018939 k( 495) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0018939 k( 496) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0018939 k( 497) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0018939 k( 498) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0018939 k( 499) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0018939 k( 500) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0018939 k( 501) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0018939 k( 502) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0018939 k( 503) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018939 k( 504) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0018939 k( 505) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0018939 k( 506) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0018939 k( 507) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0018939 k( 508) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0018939 k( 509) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0018939 k( 510) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0018939 k( 511) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0018939 k( 512) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0018939 k( 513) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0018939 k( 514) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0018939 k( 515) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0018939 k( 516) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0018939 k( 517) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0018939 k( 518) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0018939 k( 519) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0018939 k( 520) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0018939 k( 521) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0018939 k( 522) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0018939 k( 523) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0018939 k( 524) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0018939 k( 525) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0018939 k( 526) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0018939 k( 527) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0018939 k( 528) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018939 Dense grid: 27847 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 13917 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 102, 28) NL pseudopotentials 0.04 Mb ( 51, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 774) G-vector shells 0.01 Mb ( 677) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 102, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.04 Mb ( 48, 2, 28) The potential is recalculated from file : ./TlF.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.6 secs Computing kpt #: 12 total cpu time spent up to now is 4.7 secs Computing kpt #: 13 total cpu time spent up to now is 4.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.3 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.6 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.8 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.0 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.4 secs Computing kpt #: 29 total cpu time spent up to now is 6.5 secs Computing kpt #: 30 total cpu time spent up to now is 6.6 secs Computing kpt #: 31 total cpu time spent up to now is 6.7 secs Computing kpt #: 32 total cpu time spent up to now is 6.8 secs Computing kpt #: 33 total cpu time spent up to now is 6.9 secs Computing kpt #: 34 total cpu time spent up to now is 7.0 secs Computing kpt #: 35 total cpu time spent up to now is 7.0 secs Computing kpt #: 36 total cpu time spent up to now is 7.1 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.3 secs Computing kpt #: 39 total cpu time spent up to now is 7.4 secs Computing kpt #: 40 total cpu time spent up to now is 7.5 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.7 secs Computing kpt #: 43 total cpu time spent up to now is 7.7 secs Computing kpt #: 44 total cpu time spent up to now is 7.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.9 secs Computing kpt #: 46 total cpu time spent up to now is 8.0 secs Computing kpt #: 47 total cpu time spent up to now is 8.1 secs Computing kpt #: 48 total cpu time spent up to now is 8.2 secs Computing kpt #: 49 total cpu time spent up to now is 8.3 secs Computing kpt #: 50 total cpu time spent up to now is 8.3 secs Computing kpt #: 51 total cpu time spent up to now is 8.4 secs Computing kpt #: 52 total cpu time spent up to now is 8.5 secs Computing kpt #: 53 total cpu time spent up to now is 8.6 secs Computing kpt #: 54 total cpu time spent up to now is 8.7 secs Computing kpt #: 55 total cpu time spent up to now is 8.8 secs Computing kpt #: 56 total cpu time spent up to now is 8.9 secs Computing kpt #: 57 total cpu time spent up to now is 8.9 secs Computing kpt #: 58 total cpu time spent up to now is 9.0 secs Computing kpt #: 59 total cpu time spent up to now is 9.1 secs Computing kpt #: 60 total cpu time spent up to now is 9.2 secs Computing kpt #: 61 total cpu time spent up to now is 9.3 secs Computing kpt #: 62 total cpu time spent up to now is 9.4 secs Computing kpt #: 63 total cpu time spent up to now is 9.5 secs Computing kpt #: 64 total cpu time spent up to now is 9.5 secs Computing kpt #: 65 total cpu time spent up to now is 9.6 secs Computing kpt #: 66 total cpu time spent up to now is 9.7 secs Computing kpt #: 67 total cpu time spent up to now is 9.8 secs Computing kpt #: 68 total cpu time spent up to now is 9.9 secs Computing kpt #: 69 total cpu time spent up to now is 10.0 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.2 secs Computing kpt #: 73 total cpu time spent up to now is 10.3 secs Computing kpt #: 74 total cpu time spent up to now is 10.4 secs Computing kpt #: 75 total cpu time spent up to now is 10.5 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.1 secs Computing kpt #: 82 total cpu time spent up to now is 11.2 secs Computing kpt #: 83 total cpu time spent up to now is 11.3 secs Computing kpt #: 84 total cpu time spent up to now is 11.4 secs Computing kpt #: 85 total cpu time spent up to now is 11.5 secs Computing kpt #: 86 total cpu time spent up to now is 11.6 secs Computing kpt #: 87 total cpu time spent up to now is 11.7 secs Computing kpt #: 88 total cpu time spent up to now is 11.8 secs Computing kpt #: 89 total cpu time spent up to now is 11.9 secs Computing kpt #: 90 total cpu time spent up to now is 12.1 secs Computing kpt #: 91 total cpu time spent up to now is 12.2 secs Computing kpt #: 92 total cpu time spent up to now is 12.3 secs Computing kpt #: 93 total cpu time spent up to now is 12.4 secs Computing kpt #: 94 total cpu time spent up to now is 12.6 secs Computing kpt #: 95 total cpu time spent up to now is 12.7 secs Computing kpt #: 96 total cpu time spent up to now is 12.8 secs Computing kpt #: 97 total cpu time spent up to now is 12.9 secs Computing kpt #: 98 total cpu time spent up to now is 13.1 secs Computing kpt #: 99 total cpu time spent up to now is 13.2 secs Computing kpt #: 100 total cpu time spent up to now is 13.3 secs Computing kpt #: 101 total cpu time spent up to now is 13.4 secs Computing kpt #: 102 total cpu time spent up to now is 13.5 secs Computing kpt #: 103 total cpu time spent up to now is 13.6 secs Computing kpt #: 104 total cpu time spent up to now is 13.7 secs Computing kpt #: 105 total cpu time spent up to now is 13.8 secs Computing kpt #: 106 total cpu time spent up to now is 13.9 secs Computing kpt #: 107 total cpu time spent up to now is 14.0 secs Computing kpt #: 108 total cpu time spent up to now is 14.1 secs Computing kpt #: 109 total cpu time spent up to now is 14.2 secs Computing kpt #: 110 total cpu time spent up to now is 14.3 secs Computing kpt #: 111 total cpu time spent up to now is 14.4 secs Computing kpt #: 112 total cpu time spent up to now is 14.5 secs Computing kpt #: 113 total cpu time spent up to now is 14.6 secs Computing kpt #: 114 total cpu time spent up to now is 14.7 secs Computing kpt #: 115 total cpu time spent up to now is 14.8 secs Computing kpt #: 116 total cpu time spent up to now is 14.9 secs Computing kpt #: 117 total cpu time spent up to now is 15.0 secs Computing kpt #: 118 total cpu time spent up to now is 15.1 secs Computing kpt #: 119 total cpu time spent up to now is 15.2 secs Computing kpt #: 120 total cpu time spent up to now is 15.3 secs Computing kpt #: 121 total cpu time spent up to now is 15.4 secs Computing kpt #: 122 total cpu time spent up to now is 15.5 secs Computing kpt #: 123 total cpu time spent up to now is 15.6 secs Computing kpt #: 124 total cpu time spent up to now is 15.7 secs Computing kpt #: 125 total cpu time spent up to now is 15.9 secs Computing kpt #: 126 total cpu time spent up to now is 16.0 secs Computing kpt #: 127 total cpu time spent up to now is 16.1 secs Computing kpt #: 128 total cpu time spent up to now is 16.2 secs Computing kpt #: 129 total cpu time spent up to now is 16.4 secs Computing kpt #: 130 total cpu time spent up to now is 16.5 secs Computing kpt #: 131 total cpu time spent up to now is 16.6 secs Computing kpt #: 132 total cpu time spent up to now is 16.7 secs Computing kpt #: 133 total cpu time spent up to now is 16.8 secs Computing kpt #: 134 total cpu time spent up to now is 16.9 secs Computing kpt #: 135 total cpu time spent up to now is 17.0 secs Computing kpt #: 136 total cpu time spent up to now is 17.1 secs Computing kpt #: 137 total cpu time spent up to now is 17.2 secs Computing kpt #: 138 total cpu time spent up to now is 17.3 secs Computing kpt #: 139 total cpu time spent up to now is 17.4 secs Computing kpt #: 140 total cpu time spent up to now is 17.5 secs Computing kpt #: 141 total cpu time spent up to now is 17.6 secs Computing kpt #: 142 total cpu time spent up to now is 17.7 secs Computing kpt #: 143 total cpu time spent up to now is 17.8 secs Computing kpt #: 144 total cpu time spent up to now is 17.9 secs Computing kpt #: 145 total cpu time spent up to now is 17.9 secs Computing kpt #: 146 total cpu time spent up to now is 18.0 secs Computing kpt #: 147 total cpu time spent up to now is 18.1 secs Computing kpt #: 148 total cpu time spent up to now is 18.2 secs Computing kpt #: 149 total cpu time spent up to now is 18.3 secs Computing kpt #: 150 total cpu time spent up to now is 18.4 secs Computing kpt #: 151 total cpu time spent up to now is 18.5 secs Computing kpt #: 152 total cpu time spent up to now is 18.5 secs Computing kpt #: 153 total cpu time spent up to now is 18.6 secs Computing kpt #: 154 total cpu time spent up to now is 18.7 secs Computing kpt #: 155 total cpu time spent up to now is 18.8 secs Computing kpt #: 156 total cpu time spent up to now is 18.9 secs Computing kpt #: 157 total cpu time spent up to now is 19.0 secs Computing kpt #: 158 total cpu time spent up to now is 19.0 secs Computing kpt #: 159 total cpu time spent up to now is 19.1 secs Computing kpt #: 160 total cpu time spent up to now is 19.2 secs Computing kpt #: 161 total cpu time spent up to now is 19.3 secs Computing kpt #: 162 total cpu time spent up to now is 19.4 secs Computing kpt #: 163 total cpu time spent up to now is 19.5 secs Computing kpt #: 164 total cpu time spent up to now is 19.5 secs Computing kpt #: 165 total cpu time spent up to now is 19.6 secs Computing kpt #: 166 total cpu time spent up to now is 19.7 secs Computing kpt #: 167 total cpu time spent up to now is 19.8 secs Computing kpt #: 168 total cpu time spent up to now is 19.9 secs Computing kpt #: 169 total cpu time spent up to now is 20.0 secs Computing kpt #: 170 total cpu time spent up to now is 20.0 secs Computing kpt #: 171 total cpu time spent up to now is 20.1 secs Computing kpt #: 172 total cpu time spent up to now is 20.2 secs Computing kpt #: 173 total cpu time spent up to now is 20.3 secs Computing kpt #: 174 total cpu time spent up to now is 20.4 secs Computing kpt #: 175 total cpu time spent up to now is 20.4 secs Computing kpt #: 176 total cpu time spent up to now is 20.5 secs Computing kpt #: 177 total cpu time spent up to now is 20.6 secs Computing kpt #: 178 total cpu time spent up to now is 20.7 secs Computing kpt #: 179 total cpu time spent up to now is 20.8 secs Computing kpt #: 180 total cpu time spent up to now is 20.8 secs Computing kpt #: 181 total cpu time spent up to now is 20.9 secs Computing kpt #: 182 total cpu time spent up to now is 21.0 secs Computing kpt #: 183 total cpu time spent up to now is 21.1 secs Computing kpt #: 184 total cpu time spent up to now is 21.2 secs Computing kpt #: 185 total cpu time spent up to now is 21.2 secs Computing kpt #: 186 total cpu time spent up to now is 21.3 secs Computing kpt #: 187 total cpu time spent up to now is 21.4 secs Computing kpt #: 188 total cpu time spent up to now is 21.5 secs Computing kpt #: 189 total cpu time spent up to now is 21.6 secs Computing kpt #: 190 total cpu time spent up to now is 21.7 secs Computing kpt #: 191 total cpu time spent up to now is 21.7 secs Computing kpt #: 192 total cpu time spent up to now is 21.8 secs Computing kpt #: 193 total cpu time spent up to now is 21.9 secs Computing kpt #: 194 total cpu time spent up to now is 22.0 secs Computing kpt #: 195 total cpu time spent up to now is 22.1 secs Computing kpt #: 196 total cpu time spent up to now is 22.2 secs Computing kpt #: 197 total cpu time spent up to now is 22.3 secs Computing kpt #: 198 total cpu time spent up to now is 22.4 secs Computing kpt #: 199 total cpu time spent up to now is 22.5 secs Computing kpt #: 200 total cpu time spent up to now is 22.6 secs Computing kpt #: 201 total cpu time spent up to now is 22.7 secs Computing kpt #: 202 total cpu time spent up to now is 22.8 secs Computing kpt #: 203 total cpu time spent up to now is 22.9 secs Computing kpt #: 204 total cpu time spent up to now is 23.0 secs Computing kpt #: 205 total cpu time spent up to now is 23.1 secs Computing kpt #: 206 total cpu time spent up to now is 23.2 secs Computing kpt #: 207 total cpu time spent up to now is 23.3 secs Computing kpt #: 208 total cpu time spent up to now is 23.4 secs Computing kpt #: 209 total cpu time spent up to now is 23.5 secs Computing kpt #: 210 total cpu time spent up to now is 23.6 secs Computing kpt #: 211 total cpu time spent up to now is 23.7 secs Computing kpt #: 212 total cpu time spent up to now is 23.9 secs Computing kpt #: 213 total cpu time spent up to now is 24.0 secs Computing kpt #: 214 total cpu time spent up to now is 24.1 secs Computing kpt #: 215 total cpu time spent up to now is 24.3 secs Computing kpt #: 216 total cpu time spent up to now is 24.4 secs Computing kpt #: 217 total cpu time spent up to now is 24.5 secs Computing kpt #: 218 total cpu time spent up to now is 24.7 secs Computing kpt #: 219 total cpu time spent up to now is 24.9 secs Computing kpt #: 220 total cpu time spent up to now is 25.0 secs Computing kpt #: 221 total cpu time spent up to now is 25.2 secs Computing kpt #: 222 total cpu time spent up to now is 25.4 secs Computing kpt #: 223 total cpu time spent up to now is 25.6 secs Computing kpt #: 224 total cpu time spent up to now is 25.8 secs Computing kpt #: 225 total cpu time spent up to now is 26.0 secs Computing kpt #: 226 total cpu time spent up to now is 26.1 secs Computing kpt #: 227 total cpu time spent up to now is 26.3 secs Computing kpt #: 228 total cpu time spent up to now is 26.4 secs Computing kpt #: 229 total cpu time spent up to now is 26.6 secs Computing kpt #: 230 total cpu time spent up to now is 26.7 secs Computing kpt #: 231 total cpu time spent up to now is 26.9 secs Computing kpt #: 232 total cpu time spent up to now is 27.0 secs Computing kpt #: 233 total cpu time spent up to now is 27.1 secs Computing kpt #: 234 total cpu time spent up to now is 27.2 secs Computing kpt #: 235 total cpu time spent up to now is 27.3 secs Computing kpt #: 236 total cpu time spent up to now is 27.5 secs Computing kpt #: 237 total cpu time spent up to now is 27.6 secs Computing kpt #: 238 total cpu time spent up to now is 27.7 secs Computing kpt #: 239 total cpu time spent up to now is 27.8 secs Computing kpt #: 240 total cpu time spent up to now is 27.9 secs Computing kpt #: 241 total cpu time spent up to now is 28.0 secs Computing kpt #: 242 total cpu time spent up to now is 28.1 secs Computing kpt #: 243 total cpu time spent up to now is 28.2 secs Computing kpt #: 244 total cpu time spent up to now is 28.3 secs Computing kpt #: 245 total cpu time spent up to now is 28.4 secs Computing kpt #: 246 total cpu time spent up to now is 28.5 secs Computing kpt #: 247 total cpu time spent up to now is 28.6 secs Computing kpt #: 248 total cpu time spent up to now is 28.7 secs Computing kpt #: 249 total cpu time spent up to now is 28.8 secs Computing kpt #: 250 total cpu time spent up to now is 28.9 secs Computing kpt #: 251 total cpu time spent up to now is 29.0 secs Computing kpt #: 252 total cpu time spent up to now is 29.0 secs Computing kpt #: 253 total cpu time spent up to now is 29.1 secs Computing kpt #: 254 total cpu time spent up to now is 29.2 secs Computing kpt #: 255 total cpu time spent up to now is 29.3 secs Computing kpt #: 256 total cpu time spent up to now is 29.4 secs Computing kpt #: 257 total cpu time spent up to now is 29.5 secs Computing kpt #: 258 total cpu time spent up to now is 29.6 secs Computing kpt #: 259 total cpu time spent up to now is 29.6 secs Computing kpt #: 260 total cpu time spent up to now is 29.7 secs Computing kpt #: 261 total cpu time spent up to now is 29.8 secs Computing kpt #: 262 total cpu time spent up to now is 29.9 secs Computing kpt #: 263 total cpu time spent up to now is 30.0 secs Computing kpt #: 264 total cpu time spent up to now is 30.1 secs Computing kpt #: 265 total cpu time spent up to now is 30.2 secs Computing kpt #: 266 total cpu time spent up to now is 30.3 secs Computing kpt #: 267 total cpu time spent up to now is 30.4 secs Computing kpt #: 268 total cpu time spent up to now is 30.4 secs Computing kpt #: 269 total cpu time spent up to now is 30.5 secs Computing kpt #: 270 total cpu time spent up to now is 30.6 secs Computing kpt #: 271 total cpu time spent up to now is 30.7 secs Computing kpt #: 272 total cpu time spent up to now is 30.8 secs Computing kpt #: 273 total cpu time spent up to now is 30.9 secs Computing kpt #: 274 total cpu time spent up to now is 31.0 secs Computing kpt #: 275 total cpu time spent up to now is 31.1 secs Computing kpt #: 276 total cpu time spent up to now is 31.1 secs Computing kpt #: 277 total cpu time spent up to now is 31.2 secs Computing kpt #: 278 total cpu time spent up to now is 31.3 secs Computing kpt #: 279 total cpu time spent up to now is 31.4 secs Computing kpt #: 280 total cpu time spent up to now is 31.5 secs Computing kpt #: 281 total cpu time spent up to now is 31.6 secs Computing kpt #: 282 total cpu time spent up to now is 31.7 secs Computing kpt #: 283 total cpu time spent up to now is 31.8 secs Computing kpt #: 284 total cpu time spent up to now is 31.9 secs Computing kpt #: 285 total cpu time spent up to now is 31.9 secs Computing kpt #: 286 total cpu time spent up to now is 32.0 secs Computing kpt #: 287 total cpu time spent up to now is 32.1 secs Computing kpt #: 288 total cpu time spent up to now is 32.2 secs Computing kpt #: 289 total cpu time spent up to now is 32.3 secs Computing kpt #: 290 total cpu time spent up to now is 32.4 secs Computing kpt #: 291 total cpu time spent up to now is 32.5 secs Computing kpt #: 292 total cpu time spent up to now is 32.6 secs Computing kpt #: 293 total cpu time spent up to now is 32.7 secs Computing kpt #: 294 total cpu time spent up to now is 32.8 secs Computing kpt #: 295 total cpu time spent up to now is 32.9 secs Computing kpt #: 296 total cpu time spent up to now is 33.0 secs Computing kpt #: 297 total cpu time spent up to now is 33.1 secs Computing kpt #: 298 total cpu time spent up to now is 33.2 secs Computing kpt #: 299 total cpu time spent up to now is 33.3 secs Computing kpt #: 300 total cpu time spent up to now is 33.4 secs Computing kpt #: 301 total cpu time spent up to now is 33.5 secs Computing kpt #: 302 total cpu time spent up to now is 33.7 secs Computing kpt #: 303 total cpu time spent up to now is 33.8 secs Computing kpt #: 304 total cpu time spent up to now is 33.9 secs Computing kpt #: 305 total cpu time spent up to now is 34.0 secs Computing kpt #: 306 total cpu time spent up to now is 34.1 secs Computing kpt #: 307 total cpu time spent up to now is 34.3 secs Computing kpt #: 308 total cpu time spent up to now is 34.4 secs Computing kpt #: 309 total cpu time spent up to now is 34.5 secs Computing kpt #: 310 total cpu time spent up to now is 34.6 secs Computing kpt #: 311 total cpu time spent up to now is 34.7 secs Computing kpt #: 312 total cpu time spent up to now is 34.8 secs Computing kpt #: 313 total cpu time spent up to now is 34.9 secs Computing kpt #: 314 total cpu time spent up to now is 35.0 secs Computing kpt #: 315 total cpu time spent up to now is 35.1 secs Computing kpt #: 316 total cpu time spent up to now is 35.2 secs Computing kpt #: 317 total cpu time spent up to now is 35.3 secs Computing kpt #: 318 total cpu time spent up to now is 35.4 secs Computing kpt #: 319 total cpu time spent up to now is 35.5 secs Computing kpt #: 320 total cpu time spent up to now is 35.5 secs Computing kpt #: 321 total cpu time spent up to now is 35.6 secs Computing kpt #: 322 total cpu time spent up to now is 35.7 secs Computing kpt #: 323 total cpu time spent up to now is 35.8 secs Computing kpt #: 324 total cpu time spent up to now is 35.9 secs Computing kpt #: 325 total cpu time spent up to now is 36.0 secs Computing kpt #: 326 total cpu time spent up to now is 36.1 secs Computing kpt #: 327 total cpu time spent up to now is 36.2 secs Computing kpt #: 328 total cpu time spent up to now is 36.3 secs Computing kpt #: 329 total cpu time spent up to now is 36.4 secs Computing kpt #: 330 total cpu time spent up to now is 36.5 secs Computing kpt #: 331 total cpu time spent up to now is 36.6 secs Computing kpt #: 332 total cpu time spent up to now is 36.7 secs Computing kpt #: 333 total cpu time spent up to now is 36.8 secs Computing kpt #: 334 total cpu time spent up to now is 36.8 secs Computing kpt #: 335 total cpu time spent up to now is 36.9 secs Computing kpt #: 336 total cpu time spent up to now is 37.0 secs Computing kpt #: 337 total cpu time spent up to now is 37.1 secs Computing kpt #: 338 total cpu time spent up to now is 37.2 secs Computing kpt #: 339 total cpu time spent up to now is 37.3 secs Computing kpt #: 340 total cpu time spent up to now is 37.4 secs Computing kpt #: 341 total cpu time spent up to now is 37.5 secs Computing kpt #: 342 total cpu time spent up to now is 37.6 secs Computing kpt #: 343 total cpu time spent up to now is 37.7 secs Computing kpt #: 344 total cpu time spent up to now is 37.8 secs Computing kpt #: 345 total cpu time spent up to now is 37.9 secs Computing kpt #: 346 total cpu time spent up to now is 38.0 secs Computing kpt #: 347 total cpu time spent up to now is 38.1 secs Computing kpt #: 348 total cpu time spent up to now is 38.2 secs Computing kpt #: 349 total cpu time spent up to now is 38.3 secs Computing kpt #: 350 total cpu time spent up to now is 38.4 secs Computing kpt #: 351 total cpu time spent up to now is 38.6 secs Computing kpt #: 352 total cpu time spent up to now is 38.7 secs Computing kpt #: 353 total cpu time spent up to now is 38.8 secs Computing kpt #: 354 total cpu time spent up to now is 38.9 secs Computing kpt #: 355 total cpu time spent up to now is 39.1 secs Computing kpt #: 356 total cpu time spent up to now is 39.2 secs Computing kpt #: 357 total cpu time spent up to now is 39.3 secs Computing kpt #: 358 total cpu time spent up to now is 39.4 secs Computing kpt #: 359 total cpu time spent up to now is 39.5 secs Computing kpt #: 360 total cpu time spent up to now is 39.6 secs Computing kpt #: 361 total cpu time spent up to now is 39.7 secs Computing kpt #: 362 total cpu time spent up to now is 39.8 secs Computing kpt #: 363 total cpu time spent up to now is 39.9 secs Computing kpt #: 364 total cpu time spent up to now is 40.0 secs Computing kpt #: 365 total cpu time spent up to now is 40.1 secs Computing kpt #: 366 total cpu time spent up to now is 40.2 secs Computing kpt #: 367 total cpu time spent up to now is 40.3 secs Computing kpt #: 368 total cpu time spent up to now is 40.4 secs Computing kpt #: 369 total cpu time spent up to now is 40.5 secs Computing kpt #: 370 total cpu time spent up to now is 40.7 secs Computing kpt #: 371 total cpu time spent up to now is 40.8 secs Computing kpt #: 372 total cpu time spent up to now is 40.9 secs Computing kpt #: 373 total cpu time spent up to now is 41.0 secs Computing kpt #: 374 total cpu time spent up to now is 41.1 secs Computing kpt #: 375 total cpu time spent up to now is 41.2 secs Computing kpt #: 376 total cpu time spent up to now is 41.3 secs Computing kpt #: 377 total cpu time spent up to now is 41.4 secs Computing kpt #: 378 total cpu time spent up to now is 41.5 secs Computing kpt #: 379 total cpu time spent up to now is 41.6 secs Computing kpt #: 380 total cpu time spent up to now is 41.7 secs Computing kpt #: 381 total cpu time spent up to now is 41.8 secs Computing kpt #: 382 total cpu time spent up to now is 41.9 secs Computing kpt #: 383 total cpu time spent up to now is 42.0 secs Computing kpt #: 384 total cpu time spent up to now is 42.1 secs Computing kpt #: 385 total cpu time spent up to now is 42.2 secs Computing kpt #: 386 total cpu time spent up to now is 42.3 secs Computing kpt #: 387 total cpu time spent up to now is 42.4 secs Computing kpt #: 388 total cpu time spent up to now is 42.6 secs Computing kpt #: 389 total cpu time spent up to now is 42.7 secs Computing kpt #: 390 total cpu time spent up to now is 42.8 secs Computing kpt #: 391 total cpu time spent up to now is 42.9 secs Computing kpt #: 392 total cpu time spent up to now is 43.0 secs Computing kpt #: 393 total cpu time spent up to now is 43.2 secs Computing kpt #: 394 total cpu time spent up to now is 43.3 secs Computing kpt #: 395 total cpu time spent up to now is 43.4 secs Computing kpt #: 396 total cpu time spent up to now is 43.6 secs Computing kpt #: 397 total cpu time spent up to now is 43.7 secs Computing kpt #: 398 total cpu time spent up to now is 43.8 secs Computing kpt #: 399 total cpu time spent up to now is 43.9 secs Computing kpt #: 400 total cpu time spent up to now is 44.0 secs Computing kpt #: 401 total cpu time spent up to now is 44.1 secs Computing kpt #: 402 total cpu time spent up to now is 44.2 secs Computing kpt #: 403 total cpu time spent up to now is 44.3 secs Computing kpt #: 404 total cpu time spent up to now is 44.4 secs Computing kpt #: 405 total cpu time spent up to now is 44.5 secs Computing kpt #: 406 total cpu time spent up to now is 44.6 secs Computing kpt #: 407 total cpu time spent up to now is 44.7 secs Computing kpt #: 408 total cpu time spent up to now is 44.8 secs Computing kpt #: 409 total cpu time spent up to now is 44.9 secs Computing kpt #: 410 total cpu time spent up to now is 44.9 secs Computing kpt #: 411 total cpu time spent up to now is 45.0 secs Computing kpt #: 412 total cpu time spent up to now is 45.1 secs Computing kpt #: 413 total cpu time spent up to now is 45.2 secs Computing kpt #: 414 total cpu time spent up to now is 45.3 secs Computing kpt #: 415 total cpu time spent up to now is 45.4 secs Computing kpt #: 416 total cpu time spent up to now is 45.5 secs Computing kpt #: 417 total cpu time spent up to now is 45.6 secs Computing kpt #: 418 total cpu time spent up to now is 45.7 secs Computing kpt #: 419 total cpu time spent up to now is 45.8 secs Computing kpt #: 420 total cpu time spent up to now is 45.8 secs Computing kpt #: 421 total cpu time spent up to now is 45.9 secs Computing kpt #: 422 total cpu time spent up to now is 46.0 secs Computing kpt #: 423 total cpu time spent up to now is 46.1 secs Computing kpt #: 424 total cpu time spent up to now is 46.2 secs Computing kpt #: 425 total cpu time spent up to now is 46.3 secs Computing kpt #: 426 total cpu time spent up to now is 46.4 secs Computing kpt #: 427 total cpu time spent up to now is 46.4 secs Computing kpt #: 428 total cpu time spent up to now is 46.5 secs Computing kpt #: 429 total cpu time spent up to now is 46.6 secs Computing kpt #: 430 total cpu time spent up to now is 46.7 secs Computing kpt #: 431 total cpu time spent up to now is 46.8 secs Computing kpt #: 432 total cpu time spent up to now is 46.9 secs Computing kpt #: 433 total cpu time spent up to now is 47.0 secs Computing kpt #: 434 total cpu time spent up to now is 47.1 secs Computing kpt #: 435 total cpu time spent up to now is 47.1 secs Computing kpt #: 436 total cpu time spent up to now is 47.2 secs Computing kpt #: 437 total cpu time spent up to now is 47.3 secs Computing kpt #: 438 total cpu time spent up to now is 47.4 secs Computing kpt #: 439 total cpu time spent up to now is 47.5 secs Computing kpt #: 440 total cpu time spent up to now is 47.6 secs Computing kpt #: 441 total cpu time spent up to now is 47.7 secs Computing kpt #: 442 total cpu time spent up to now is 47.8 secs Computing kpt #: 443 total cpu time spent up to now is 47.9 secs Computing kpt #: 444 total cpu time spent up to now is 48.0 secs Computing kpt #: 445 total cpu time spent up to now is 48.0 secs Computing kpt #: 446 total cpu time spent up to now is 48.1 secs Computing kpt #: 447 total cpu time spent up to now is 48.2 secs Computing kpt #: 448 total cpu time spent up to now is 48.3 secs Computing kpt #: 449 total cpu time spent up to now is 48.5 secs Computing kpt #: 450 total cpu time spent up to now is 48.6 secs Computing kpt #: 451 total cpu time spent up to now is 48.7 secs Computing kpt #: 452 total cpu time spent up to now is 48.8 secs Computing kpt #: 453 total cpu time spent up to now is 48.9 secs Computing kpt #: 454 total cpu time spent up to now is 49.1 secs Computing kpt #: 455 total cpu time spent up to now is 49.2 secs Computing kpt #: 456 total cpu time spent up to now is 49.3 secs Computing kpt #: 457 total cpu time spent up to now is 49.4 secs Computing kpt #: 458 total cpu time spent up to now is 49.5 secs Computing kpt #: 459 total cpu time spent up to now is 49.6 secs Computing kpt #: 460 total cpu time spent up to now is 49.7 secs Computing kpt #: 461 total cpu time spent up to now is 49.8 secs Computing kpt #: 462 total cpu time spent up to now is 49.9 secs Computing kpt #: 463 total cpu time spent up to now is 50.0 secs Computing kpt #: 464 total cpu time spent up to now is 50.0 secs Computing kpt #: 465 total cpu time spent up to now is 50.1 secs Computing kpt #: 466 total cpu time spent up to now is 50.2 secs Computing kpt #: 467 total cpu time spent up to now is 50.3 secs Computing kpt #: 468 total cpu time spent up to now is 50.4 secs Computing kpt #: 469 total cpu time spent up to now is 50.5 secs Computing kpt #: 470 total cpu time spent up to now is 50.6 secs Computing kpt #: 471 total cpu time spent up to now is 50.7 secs Computing kpt #: 472 total cpu time spent up to now is 50.8 secs Computing kpt #: 473 total cpu time spent up to now is 50.8 secs Computing kpt #: 474 total cpu time spent up to now is 50.9 secs Computing kpt #: 475 total cpu time spent up to now is 51.0 secs Computing kpt #: 476 total cpu time spent up to now is 51.1 secs Computing kpt #: 477 total cpu time spent up to now is 51.2 secs Computing kpt #: 478 total cpu time spent up to now is 51.3 secs Computing kpt #: 479 total cpu time spent up to now is 51.4 secs Computing kpt #: 480 total cpu time spent up to now is 51.5 secs Computing kpt #: 481 total cpu time spent up to now is 51.6 secs Computing kpt #: 482 total cpu time spent up to now is 51.7 secs Computing kpt #: 483 total cpu time spent up to now is 51.8 secs Computing kpt #: 484 total cpu time spent up to now is 51.9 secs Computing kpt #: 485 total cpu time spent up to now is 52.0 secs Computing kpt #: 486 total cpu time spent up to now is 52.1 secs Computing kpt #: 487 total cpu time spent up to now is 52.2 secs Computing kpt #: 488 total cpu time spent up to now is 52.3 secs Computing kpt #: 489 total cpu time spent up to now is 52.4 secs Computing kpt #: 490 total cpu time spent up to now is 52.5 secs Computing kpt #: 491 total cpu time spent up to now is 52.6 secs Computing kpt #: 492 total cpu time spent up to now is 52.7 secs Computing kpt #: 493 total cpu time spent up to now is 52.8 secs Computing kpt #: 494 total cpu time spent up to now is 52.9 secs Computing kpt #: 495 total cpu time spent up to now is 53.0 secs Computing kpt #: 496 total cpu time spent up to now is 53.1 secs Computing kpt #: 497 total cpu time spent up to now is 53.2 secs Computing kpt #: 498 total cpu time spent up to now is 53.3 secs Computing kpt #: 499 total cpu time spent up to now is 53.4 secs Computing kpt #: 500 total cpu time spent up to now is 53.5 secs Computing kpt #: 501 total cpu time spent up to now is 53.6 secs Computing kpt #: 502 total cpu time spent up to now is 53.7 secs Computing kpt #: 503 total cpu time spent up to now is 53.8 secs Computing kpt #: 504 total cpu time spent up to now is 53.9 secs Computing kpt #: 505 total cpu time spent up to now is 54.0 secs Computing kpt #: 506 total cpu time spent up to now is 54.1 secs Computing kpt #: 507 total cpu time spent up to now is 54.2 secs Computing kpt #: 508 total cpu time spent up to now is 54.3 secs Computing kpt #: 509 total cpu time spent up to now is 54.5 secs Computing kpt #: 510 total cpu time spent up to now is 54.6 secs Computing kpt #: 511 total cpu time spent up to now is 54.7 secs Computing kpt #: 512 total cpu time spent up to now is 54.8 secs Computing kpt #: 513 total cpu time spent up to now is 54.9 secs Computing kpt #: 514 total cpu time spent up to now is 55.0 secs Computing kpt #: 515 total cpu time spent up to now is 55.1 secs Computing kpt #: 516 total cpu time spent up to now is 55.2 secs Computing kpt #: 517 total cpu time spent up to now is 55.3 secs Computing kpt #: 518 total cpu time spent up to now is 55.4 secs Computing kpt #: 519 total cpu time spent up to now is 55.5 secs Computing kpt #: 520 total cpu time spent up to now is 55.7 secs Computing kpt #: 521 total cpu time spent up to now is 55.8 secs Computing kpt #: 522 total cpu time spent up to now is 55.9 secs Computing kpt #: 523 total cpu time spent up to now is 56.1 secs Computing kpt #: 524 total cpu time spent up to now is 56.2 secs Computing kpt #: 525 total cpu time spent up to now is 56.4 secs Computing kpt #: 526 total cpu time spent up to now is 56.5 secs Computing kpt #: 527 total cpu time spent up to now is 56.7 secs Computing kpt #: 528 total cpu time spent up to now is 56.9 secs ethr = 5.00E-08, avg # of iterations = 12.9 total cpu time spent up to now is 56.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1733 PWs) bands (ev): -15.4669 -15.4669 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8338 -2.8338 -2.7292 -2.7292 0.8798 0.8798 2.8192 2.8192 3.0536 3.0536 3.2350 3.2350 13.3324 13.3324 15.9768 15.9768 17.1320 17.1320 18.2606 18.2606 k = 0.0086-0.0059 0.0075 ( 1737 PWs) bands (ev): -15.4668 -15.4668 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8339 -2.8339 -2.7293 -2.7293 0.8790 0.8790 2.8191 2.8191 3.0564 3.0564 3.2350 3.2350 13.3284 13.3284 15.9662 15.9662 17.1174 17.1174 18.2393 18.2393 k = 0.0172-0.0118 0.0150 ( 1739 PWs) bands (ev): -15.4666 -15.4666 -5.0108 -5.0108 -4.9626 -4.9626 -2.8689 -2.8689 -2.8340 -2.8340 -2.7296 -2.7296 0.8766 0.8766 2.8187 2.8187 3.0651 3.0651 3.2349 3.2349 13.3163 13.3163 15.9349 15.9349 17.0751 17.0751 18.1816 18.1816 k = 0.0259-0.0177 0.0225 ( 1739 PWs) bands (ev): -15.4662 -15.4662 -5.0109 -5.0109 -4.9624 -4.9624 -2.8686 -2.8686 -2.8342 -2.8342 -2.7300 -2.7300 0.8727 0.8727 2.8180 2.8180 3.0794 3.0794 3.2349 3.2349 13.2962 13.2962 15.8837 15.8837 17.0089 17.0089 18.0995 18.0995 k = 0.0345-0.0236 0.0300 ( 1739 PWs) bands (ev): -15.4657 -15.4657 -5.0110 -5.0110 -4.9621 -4.9621 -2.8682 -2.8682 -2.8345 -2.8345 -2.7306 -2.7306 0.8674 0.8674 2.8169 2.8169 3.0992 3.0992 3.2349 3.2349 13.2684 13.2684 15.8144 15.8144 16.9239 16.9239 18.0030 18.0030 k = 0.0431-0.0295 0.0375 ( 1739 PWs) bands (ev): -15.4650 -15.4650 -5.0111 -5.0111 -4.9618 -4.9618 -2.8677 -2.8677 -2.8348 -2.8348 -2.7313 -2.7313 0.8609 0.8609 2.8154 2.8154 3.1242 3.1242 3.2350 3.2350 13.2328 13.2328 15.7287 15.7287 16.8248 16.8248 17.8985 17.8985 k = 0.0517-0.0354 0.0450 ( 1739 PWs) bands (ev): -15.4642 -15.4642 -5.0112 -5.0112 -4.9615 -4.9615 -2.8670 -2.8670 -2.8352 -2.8352 -2.7322 -2.7322 0.8534 0.8534 2.8133 2.8133 3.1537 3.1537 3.2357 3.2357 13.1899 13.1899 15.6288 15.6288 16.7160 16.7160 17.7900 17.7900 k = 0.0603-0.0413 0.0525 ( 1739 PWs) bands (ev): -15.4632 -15.4632 -5.0114 -5.0114 -4.9610 -4.9610 -2.8663 -2.8663 -2.8357 -2.8357 -2.7331 -2.7331 0.8452 0.8452 2.8108 2.8108 3.1861 3.1861 3.2383 3.2383 13.1398 13.1398 15.5168 15.5168 16.6008 16.6008 17.6797 17.6797 k = 0.0690-0.0472 0.0600 ( 1735 PWs) bands (ev): -15.4621 -15.4621 -5.0115 -5.0115 -4.9605 -4.9605 -2.8656 -2.8656 -2.8361 -2.8361 -2.7340 -2.7340 0.8365 0.8365 2.8076 2.8076 3.2133 3.2133 3.2506 3.2506 13.0827 13.0827 15.3946 15.3946 16.4819 16.4819 17.5689 17.5689 k = 0.0776-0.0531 0.0675 ( 1731 PWs) bands (ev): -15.4609 -15.4609 -5.0117 -5.0117 -4.9598 -4.9598 -2.8647 -2.8647 -2.8366 -2.8366 -2.7350 -2.7350 0.8276 0.8276 2.8039 2.8039 3.2227 3.2227 3.2845 3.2845 13.0190 13.0190 15.2644 15.2644 16.3611 16.3611 17.4586 17.4586 k = 0.0862-0.0590 0.0750 ( 1731 PWs) bands (ev): -15.4596 -15.4596 -5.0118 -5.0118 -4.9592 -4.9592 -2.8639 -2.8639 -2.8371 -2.8371 -2.7359 -2.7359 0.8187 0.8187 2.7997 2.7997 3.2244 3.2244 3.3297 3.3297 12.9488 12.9488 15.1280 15.1280 16.2400 16.2400 17.3494 17.3494 k = 0.0948-0.0649 0.0825 ( 1731 PWs) bands (ev): -15.4581 -15.4581 -5.0120 -5.0120 -4.9584 -4.9584 -2.8630 -2.8630 -2.8375 -2.8375 -2.7368 -2.7368 0.8101 0.8101 2.7948 2.7948 3.2242 3.2242 3.3797 3.3797 12.8723 12.8723 14.9872 14.9872 16.1196 16.1196 17.2417 17.2417 k = 0.1034-0.0708 0.0899 ( 1737 PWs) bands (ev): -15.4565 -15.4565 -5.0121 -5.0121 -4.9576 -4.9576 -2.8622 -2.8622 -2.8379 -2.8379 -2.7376 -2.7376 0.8020 0.8020 2.7895 2.7895 3.2233 3.2233 3.4331 3.4331 12.7897 12.7897 14.8437 14.8437 16.0006 16.0006 17.1357 17.1357 k = 0.1121-0.0767 0.0974 ( 1737 PWs) bands (ev): -15.4549 -15.4549 -5.0123 -5.0123 -4.9566 -4.9566 -2.8615 -2.8615 -2.8382 -2.8382 -2.7382 -2.7382 0.7946 0.7946 2.7836 2.7836 3.2220 3.2220 3.4890 3.4890 12.7011 12.7011 14.6991 14.6991 15.8834 15.8834 17.0316 17.0316 k = 0.1207-0.0826 0.1049 ( 1737 PWs) bands (ev): -15.4531 -15.4531 -5.0124 -5.0124 -4.9556 -4.9556 -2.8608 -2.8608 -2.8383 -2.8383 -2.7387 -2.7387 0.7881 0.7881 2.7771 2.7771 3.2205 3.2205 3.5469 3.5469 12.6068 12.6068 14.5549 14.5549 15.7685 15.7685 16.9295 16.9295 k = 0.1293-0.0885 0.1124 ( 1733 PWs) bands (ev): -15.4513 -15.4513 -5.0124 -5.0124 -4.9545 -4.9545 -2.8603 -2.8603 -2.8382 -2.8382 -2.7389 -2.7389 0.7828 0.7828 2.7702 2.7702 3.2186 3.2186 3.6063 3.6063 12.5069 12.5069 14.4123 14.4123 15.6561 15.6561 16.8297 16.8297 k = 0.1379-0.0944 0.1199 ( 1733 PWs) bands (ev): -15.4494 -15.4494 -5.0124 -5.0124 -4.9533 -4.9533 -2.8598 -2.8598 -2.8380 -2.8380 -2.7389 -2.7389 0.7786 0.7786 2.7627 2.7627 3.2165 3.2165 3.6667 3.6667 12.4017 12.4017 14.2725 14.2725 15.5464 15.5464 16.7320 16.7320 k = 0.1466-0.1003 0.1274 ( 1733 PWs) bands (ev): -15.4475 -15.4475 -5.0123 -5.0123 -4.9520 -4.9520 -2.8595 -2.8595 -2.8376 -2.8376 -2.7386 -2.7386 0.7759 0.7759 2.7547 2.7547 3.2141 3.2141 3.7276 3.7276 12.2914 12.2914 14.1364 14.1364 15.4394 15.4394 16.6367 16.6367 k = 0.1552-0.1062 0.1349 ( 1729 PWs) bands (ev): -15.4454 -15.4454 -5.0122 -5.0122 -4.9506 -4.9506 -2.8592 -2.8592 -2.8370 -2.8370 -2.7380 -2.7380 0.7746 0.7746 2.7462 2.7462 3.2114 3.2114 3.7886 3.7886 12.1764 12.1764 14.0050 14.0050 15.3353 15.3353 16.5438 16.5438 k = 0.1638-0.1121 0.1424 ( 1730 PWs) bands (ev): -15.4434 -15.4434 -5.0120 -5.0120 -4.9491 -4.9491 -2.8590 -2.8590 -2.8362 -2.8362 -2.7371 -2.7371 0.7750 0.7750 2.7373 2.7373 3.2085 3.2085 3.8491 3.8491 12.0571 12.0571 13.8787 13.8787 15.2341 15.2341 16.4531 16.4531 k = 0.1724-0.1180 0.1499 ( 1730 PWs) bands (ev): -15.4413 -15.4413 -5.0118 -5.0118 -4.9475 -4.9475 -2.8588 -2.8588 -2.8354 -2.8354 -2.7358 -2.7358 0.7771 0.7771 2.7279 2.7279 3.2053 3.2053 3.9089 3.9089 11.9341 11.9341 13.7579 13.7579 15.1358 15.1358 16.3649 16.3649 k = 0.1810-0.1239 0.1574 ( 1726 PWs) bands (ev): -15.4392 -15.4392 -5.0115 -5.0115 -4.9457 -4.9457 -2.8585 -2.8585 -2.8344 -2.8344 -2.7341 -2.7341 0.7809 0.7809 2.7180 2.7180 3.2019 3.2019 3.9673 3.9673 11.8081 11.8081 13.6430 13.6430 15.0405 15.0405 16.2791 16.2791 k = 0.1897-0.1298 0.1649 ( 1730 PWs) bands (ev): -15.4371 -15.4371 -5.0111 -5.0111 -4.9439 -4.9439 -2.8582 -2.8582 -2.8334 -2.8334 -2.7321 -2.7321 0.7866 0.7866 2.7077 2.7077 3.1982 3.1982 4.0239 4.0239 11.6798 11.6798 13.5340 13.5340 14.9482 14.9482 16.1957 16.1957 k = 0.1983-0.1357 0.1724 ( 1730 PWs) bands (ev): -15.4350 -15.4350 -5.0107 -5.0107 -4.9420 -4.9420 -2.8577 -2.8577 -2.8324 -2.8324 -2.7296 -2.7296 0.7941 0.7941 2.6970 2.6970 3.1942 3.1942 4.0783 4.0783 11.5501 11.5501 13.4309 13.4309 14.8590 14.8590 16.1147 16.1147 k = 0.2069-0.1416 0.1799 ( 1730 PWs) bands (ev): -15.4328 -15.4328 -5.0102 -5.0102 -4.9399 -4.9399 -2.8570 -2.8570 -2.8314 -2.8314 -2.7268 -2.7268 0.8037 0.8037 2.6859 2.6859 3.1899 3.1899 4.1300 4.1300 11.4198 11.4198 13.3336 13.3336 14.7727 14.7727 16.0361 16.0361 k = 0.2155-0.1475 0.1874 ( 1730 PWs) bands (ev): -15.4307 -15.4307 -5.0096 -5.0096 -4.9377 -4.9377 -2.8562 -2.8562 -2.8303 -2.8303 -2.7236 -2.7236 0.8151 0.8151 2.6745 2.6745 3.1854 3.1854 4.1785 4.1785 11.2898 11.2898 13.2417 13.2417 14.6894 14.6894 15.9600 15.9600 k = 0.2241-0.1534 0.1949 ( 1730 PWs) bands (ev): -15.4287 -15.4287 -5.0089 -5.0089 -4.9353 -4.9353 -2.8552 -2.8552 -2.8292 -2.8292 -2.7201 -2.7201 0.8286 0.8286 2.6627 2.6627 3.1806 3.1806 4.2233 4.2233 11.1610 11.1610 13.1552 13.1552 14.6092 14.6092 15.8863 15.8863 k = 0.2328-0.1593 0.2024 ( 1732 PWs) bands (ev): -15.4266 -15.4266 -5.0082 -5.0082 -4.9329 -4.9329 -2.8539 -2.8539 -2.8281 -2.8281 -2.7162 -2.7162 0.8441 0.8441 2.6506 2.6506 3.1755 3.1755 4.2640 4.2640 11.0343 11.0343 13.0737 13.0737 14.5319 14.5319 15.8149 15.8149 k = 0.2414-0.1652 0.2099 ( 1732 PWs) bands (ev): -15.4246 -15.4246 -5.0074 -5.0074 -4.9303 -4.9303 -2.8525 -2.8525 -2.8269 -2.8269 -2.7119 -2.7119 0.8617 0.8617 2.6382 2.6382 3.1703 3.1703 4.3001 4.3001 10.9105 10.9105 12.9970 12.9970 14.4577 14.4577 15.7460 15.7460 k = 0.2500-0.1711 0.2174 ( 1740 PWs) bands (ev): -15.4226 -15.4226 -5.0066 -5.0066 -4.9275 -4.9275 -2.8509 -2.8509 -2.8257 -2.8257 -2.7074 -2.7074 0.8813 0.8813 2.6255 2.6255 3.1647 3.1647 4.3312 4.3312 10.7905 10.7905 12.9248 12.9248 14.3864 14.3864 15.6794 15.6794 k = 0.2586-0.1770 0.2249 ( 1742 PWs) bands (ev): -15.4207 -15.4207 -5.0057 -5.0057 -4.9247 -4.9247 -2.8492 -2.8492 -2.8244 -2.8244 -2.7025 -2.7025 0.9029 0.9029 2.6127 2.6127 3.1590 3.1590 4.3569 4.3569 10.6748 10.6748 12.8568 12.8568 14.3180 14.3180 15.6153 15.6153 k = 0.2672-0.1829 0.2324 ( 1742 PWs) bands (ev): -15.4188 -15.4188 -5.0048 -5.0048 -4.9216 -4.9216 -2.8475 -2.8475 -2.8228 -2.8228 -2.6974 -2.6974 0.9267 0.9267 2.5996 2.5996 3.1531 3.1531 4.3768 4.3768 10.5642 10.5642 12.7929 12.7929 14.2526 14.2526 15.5535 15.5535 k = 0.2759-0.1888 0.2399 ( 1742 PWs) bands (ev): -15.4170 -15.4170 -5.0039 -5.0039 -4.9185 -4.9185 -2.8457 -2.8457 -2.8211 -2.8211 -2.6920 -2.6920 0.9525 0.9525 2.5865 2.5865 3.1470 3.1470 4.3907 4.3907 10.4592 10.4592 12.7328 12.7328 14.1900 14.1900 15.4941 15.4941 k = 0.2845-0.1947 0.2474 ( 1746 PWs) bands (ev): -15.4153 -15.4153 -5.0029 -5.0029 -4.9152 -4.9152 -2.8439 -2.8439 -2.8191 -2.8191 -2.6864 -2.6864 0.9803 0.9803 2.5733 2.5733 3.1408 3.1408 4.3982 4.3982 10.3604 10.3604 12.6763 12.6763 14.1303 14.1303 15.4370 15.4370 k = 0.2931-0.2006 0.2548 ( 1746 PWs) bands (ev): -15.4136 -15.4136 -5.0019 -5.0019 -4.9118 -4.9118 -2.8423 -2.8423 -2.8167 -2.8167 -2.6805 -2.6805 1.0102 1.0102 2.5600 2.5600 3.1344 3.1344 4.3991 4.3991 10.2680 10.2680 12.6232 12.6232 14.0735 14.0735 15.3823 15.3823 k = 0.3017-0.2065 0.2623 ( 1744 PWs) bands (ev): -15.4120 -15.4120 -5.0010 -5.0010 -4.9083 -4.9083 -2.8408 -2.8408 -2.8139 -2.8139 -2.6745 -2.6745 1.0421 1.0421 2.5468 2.5468 3.1279 3.1279 4.3933 4.3933 10.1825 10.1825 12.5734 12.5734 14.0194 14.0194 15.3299 15.3299 k = 0.3103-0.2124 0.2698 ( 1740 PWs) bands (ev): -15.4105 -15.4105 -4.9999 -4.9999 -4.9047 -4.9047 -2.8395 -2.8395 -2.8108 -2.8108 -2.6684 -2.6684 1.0761 1.0761 2.5336 2.5336 3.1214 3.1214 4.3808 4.3808 10.1039 10.1039 12.5267 12.5267 13.9681 13.9681 15.2798 15.2798 k = 0.3190-0.2183 0.2773 ( 1744 PWs) bands (ev): -15.4090 -15.4090 -4.9990 -4.9990 -4.9010 -4.9010 -2.8384 -2.8384 -2.8075 -2.8075 -2.6622 -2.6622 1.1119 1.1119 2.5205 2.5205 3.1148 3.1148 4.3616 4.3616 10.0323 10.0323 12.4830 12.4830 13.9195 13.9195 15.2321 15.2321 k = 0.3276-0.2242 0.2848 ( 1748 PWs) bands (ev): -15.4076 -15.4076 -4.9981 -4.9981 -4.8973 -4.8973 -2.8374 -2.8374 -2.8038 -2.8038 -2.6559 -2.6559 1.1497 1.1497 2.5075 2.5075 3.1082 3.1082 4.3359 4.3359 9.9678 9.9678 12.4421 12.4421 13.8735 13.8735 15.1866 15.1866 k = 0.3362-0.2301 0.2923 ( 1748 PWs) bands (ev): -15.4063 -15.4063 -4.9971 -4.9971 -4.8935 -4.8935 -2.8366 -2.8366 -2.7999 -2.7999 -2.6495 -2.6495 1.1894 1.1894 2.4948 2.4948 3.1016 3.1016 4.3038 4.3038 9.9102 9.9102 12.4039 12.4039 13.8302 13.8302 15.1435 15.1435 k = 0.3448-0.2360 0.2998 ( 1760 PWs) bands (ev): -15.4051 -15.4051 -4.9963 -4.9963 -4.8897 -4.8897 -2.8360 -2.8360 -2.7959 -2.7959 -2.6432 -2.6432 1.2308 1.2308 2.4824 2.4824 3.0951 3.0951 4.2658 4.2658 9.8593 9.8593 12.3684 12.3684 13.7894 13.7894 15.1026 15.1026 k = 0.3534-0.2419 0.3073 ( 1764 PWs) bands (ev): -15.4040 -15.4040 -4.9954 -4.9954 -4.8859 -4.8859 -2.8355 -2.8355 -2.7917 -2.7917 -2.6369 -2.6369 1.2740 1.2740 2.4702 2.4702 3.0887 3.0887 4.2223 4.2223 9.8147 9.8147 12.3354 12.3354 13.7512 13.7512 15.0640 15.0640 k = 0.3621-0.2478 0.3148 ( 1764 PWs) bands (ev): -15.4029 -15.4029 -4.9946 -4.9946 -4.8822 -4.8822 -2.8350 -2.8350 -2.7875 -2.7875 -2.6306 -2.6306 1.3187 1.3187 2.4585 2.4585 3.0824 3.0824 4.1736 4.1736 9.7762 9.7762 12.3048 12.3048 13.7155 13.7155 15.0276 15.0276 k = 0.3707-0.2537 0.3223 ( 1764 PWs) bands (ev): -15.4019 -15.4019 -4.9938 -4.9938 -4.8784 -4.8784 -2.8346 -2.8346 -2.7832 -2.7832 -2.6244 -2.6244 1.3649 1.3649 2.4472 2.4472 3.0762 3.0762 4.1205 4.1205 9.7433 9.7433 12.2765 12.2765 13.6822 13.6822 14.9935 14.9935 k = 0.3793-0.2596 0.3298 ( 1764 PWs) bands (ev): -15.4010 -15.4010 -4.9931 -4.9931 -4.8748 -4.8748 -2.8343 -2.8343 -2.7790 -2.7790 -2.6184 -2.6184 1.4124 1.4124 2.4364 2.4364 3.0703 3.0703 4.0636 4.0636 9.7156 9.7156 12.2504 12.2504 13.6513 13.6513 14.9617 14.9617 k = 0.3879-0.2655 0.3373 ( 1756 PWs) bands (ev): -15.4001 -15.4001 -4.9924 -4.9924 -4.8712 -4.8712 -2.8340 -2.8340 -2.7748 -2.7748 -2.6125 -2.6125 1.4610 1.4610 2.4261 2.4261 3.0646 3.0646 4.0035 4.0035 9.6925 9.6925 12.2265 12.2265 13.6227 13.6227 14.9321 14.9321 k = 0.3966-0.2714 0.3448 ( 1756 PWs) bands (ev): -15.3994 -15.3994 -4.9917 -4.9917 -4.8678 -4.8678 -2.8338 -2.8338 -2.7708 -2.7708 -2.6069 -2.6069 1.5103 1.5103 2.4165 2.4165 3.0592 3.0592 3.9410 3.9410 9.6735 9.6735 12.2047 12.2047 13.5965 13.5965 14.9047 14.9047 k = 0.4052-0.2773 0.3523 ( 1756 PWs) bands (ev): -15.3987 -15.3987 -4.9911 -4.9911 -4.8645 -4.8645 -2.8336 -2.8336 -2.7670 -2.7670 -2.6015 -2.6015 1.5601 1.5601 2.4075 2.4075 3.0541 3.0541 3.8769 3.8769 9.6583 9.6583 12.1849 12.1849 13.5725 13.5725 14.8795 14.8795 k = 0.4138-0.2832 0.3598 ( 1758 PWs) bands (ev): -15.3980 -15.3980 -4.9906 -4.9906 -4.8614 -4.8614 -2.8334 -2.8334 -2.7634 -2.7634 -2.5964 -2.5964 1.6099 1.6099 2.3992 2.3992 3.0493 3.0493 3.8121 3.8121 9.6461 9.6461 12.1670 12.1670 13.5508 13.5508 14.8566 14.8566 k = 0.4224-0.2891 0.3673 ( 1762 PWs) bands (ev): -15.3975 -15.3975 -4.9901 -4.9901 -4.8586 -4.8586 -2.8333 -2.8333 -2.7601 -2.7601 -2.5917 -2.5917 1.6593 1.6593 2.3917 2.3917 3.0449 3.0449 3.7476 3.7476 9.6367 9.6367 12.1510 12.1510 13.5312 13.5312 14.8359 14.8359 k = 0.4310-0.2950 0.3748 ( 1762 PWs) bands (ev): -15.3970 -15.3970 -4.9896 -4.9896 -4.8560 -4.8560 -2.8331 -2.8331 -2.7570 -2.7570 -2.5874 -2.5874 1.7077 1.7077 2.3850 2.3850 3.0408 3.0408 3.6844 3.6844 9.6295 9.6295 12.1369 12.1369 13.5138 13.5138 14.8173 14.8173 k = 0.4397-0.3009 0.3823 ( 1762 PWs) bands (ev): -15.3965 -15.3965 -4.9893 -4.9893 -4.8536 -4.8536 -2.8330 -2.8330 -2.7542 -2.7542 -2.5835 -2.5835 1.7542 1.7542 2.3792 2.3792 3.0372 3.0372 3.6237 3.6237 9.6242 9.6242 12.1245 12.1245 13.4986 13.4986 14.8010 14.8010 k = 0.4483-0.3068 0.3898 ( 1766 PWs) bands (ev): -15.3962 -15.3962 -4.9889 -4.9889 -4.8515 -4.8515 -2.8329 -2.8329 -2.7518 -2.7518 -2.5800 -2.5800 1.7980 1.7980 2.3743 2.3743 3.0340 3.0340 3.5666 3.5666 9.6203 9.6203 12.1139 12.1139 13.4854 13.4854 14.7868 14.7868 k = 0.4569-0.3127 0.3973 ( 1760 PWs) bands (ev): -15.3958 -15.3958 -4.9886 -4.9886 -4.8497 -4.8497 -2.8328 -2.8328 -2.7497 -2.7497 -2.5770 -2.5770 1.8381 1.8381 2.3702 2.3702 3.0313 3.0313 3.5145 3.5145 9.6176 9.6176 12.1050 12.1050 13.4743 13.4743 14.7749 14.7749 k = 0.4655-0.3186 0.4048 ( 1760 PWs) bands (ev): -15.3956 -15.3956 -4.9884 -4.9884 -4.8482 -4.8482 -2.8328 -2.8328 -2.7479 -2.7479 -2.5745 -2.5745 1.8733 1.8733 2.3671 2.3671 3.0290 3.0290 3.4690 3.4690 9.6158 9.6158 12.0978 12.0978 13.4652 13.4652 14.7651 14.7651 k = 0.4741-0.3244 0.4123 ( 1760 PWs) bands (ev): -15.3954 -15.3954 -4.9882 -4.9882 -4.8470 -4.8470 -2.8327 -2.8327 -2.7465 -2.7465 -2.5725 -2.5725 1.9024 1.9024 2.3648 2.3648 3.0273 3.0273 3.4314 3.4314 9.6146 9.6146 12.0921 12.0921 13.4582 13.4582 14.7575 14.7575 k = 0.4828-0.3303 0.4197 ( 1764 PWs) bands (ev): -15.3952 -15.3952 -4.9881 -4.9881 -4.8462 -4.8462 -2.8327 -2.8327 -2.7456 -2.7456 -2.5711 -2.5711 1.9242 1.9242 2.3633 2.3633 3.0260 3.0260 3.4033 3.4033 9.6139 9.6139 12.0882 12.0882 13.4532 13.4532 14.7520 14.7520 k = 0.4914-0.3362 0.4272 ( 1760 PWs) bands (ev): -15.3952 -15.3952 -4.9880 -4.9880 -4.8456 -4.8456 -2.8327 -2.8327 -2.7449 -2.7449 -2.5703 -2.5703 1.9378 1.9378 2.3625 2.3625 3.0253 3.0253 3.3858 3.3858 9.6135 9.6135 12.0858 12.0858 13.4502 13.4502 14.7488 14.7488 k = 0.5000-0.3421 0.4347 ( 1760 PWs) bands (ev): -15.3951 -15.3951 -4.9880 -4.9880 -4.8455 -4.8455 -2.8327 -2.8327 -2.7447 -2.7447 -2.5700 -2.5700 1.9423 1.9423 2.3622 2.3622 3.0250 3.0250 3.3799 3.3799 9.6134 9.6134 12.0850 12.0850 13.4492 13.4492 14.7477 14.7477 k = 0.5000-0.3421 0.4347 ( 1760 PWs) bands (ev): -15.3951 -15.3951 -4.9880 -4.9880 -4.8455 -4.8455 -2.8327 -2.8327 -2.7447 -2.7447 -2.5700 -2.5700 1.9423 1.9423 2.3622 2.3622 3.0250 3.0250 3.3799 3.3799 9.6134 9.6134 12.0850 12.0850 13.4492 13.4492 14.7477 14.7477 k = 0.5000-0.3321 0.4426 ( 1764 PWs) bands (ev): -15.3951 -15.3951 -4.9880 -4.9880 -4.8457 -4.8457 -2.8328 -2.8328 -2.7448 -2.7448 -2.5705 -2.5705 1.9431 1.9431 2.3561 2.3561 3.0246 3.0246 3.3887 3.3887 9.6139 9.6139 12.0773 12.0773 13.4417 13.4417 14.7618 14.7618 k = 0.5000-0.3221 0.4505 ( 1766 PWs) bands (ev): -15.3950 -15.3950 -4.9880 -4.9880 -4.8462 -4.8462 -2.8331 -2.8331 -2.7447 -2.7447 -2.5720 -2.5720 1.9452 1.9452 2.3384 2.3384 3.0233 3.0233 3.4144 3.4144 9.6152 9.6152 12.0547 12.0547 13.4197 13.4197 14.8032 14.8032 k = 0.5000-0.3121 0.4584 ( 1772 PWs) bands (ev): -15.3948 -15.3948 -4.9880 -4.9880 -4.8471 -4.8471 -2.8337 -2.8337 -2.7447 -2.7447 -2.5744 -2.5744 1.9488 1.9488 2.3108 2.3108 3.0212 3.0212 3.4552 3.4552 9.6175 9.6175 12.0179 12.0179 13.3852 13.3852 14.8692 14.8692 k = 0.5000-0.3021 0.4662 ( 1772 PWs) bands (ev): -15.3946 -15.3946 -4.9880 -4.9880 -4.8484 -4.8484 -2.8345 -2.8345 -2.7446 -2.7446 -2.5778 -2.5778 1.9536 1.9536 2.2757 2.2757 3.0186 3.0186 3.5087 3.5087 9.6206 9.6206 11.9686 11.9686 13.3404 13.3404 14.9566 14.9566 k = 0.5000-0.2921 0.4741 ( 1768 PWs) bands (ev): -15.3943 -15.3943 -4.9880 -4.9880 -4.8500 -4.8500 -2.8354 -2.8354 -2.7445 -2.7445 -2.5821 -2.5821 1.9595 1.9595 2.2355 2.2355 3.0153 3.0153 3.5725 3.5725 9.6246 9.6246 11.9083 11.9083 13.2874 13.2874 15.0619 15.0619 k = 0.5000-0.2821 0.4820 ( 1760 PWs) bands (ev): -15.3939 -15.3939 -4.9880 -4.9880 -4.8518 -4.8518 -2.8366 -2.8366 -2.7443 -2.7443 -2.5872 -2.5872 1.9662 1.9662 2.1922 2.1922 3.0114 3.0114 3.6446 3.6446 9.6293 9.6293 11.8390 11.8390 13.2278 13.2278 15.1823 15.1823 k = 0.5000-0.2721 0.4899 ( 1756 PWs) bands (ev): -15.3935 -15.3935 -4.9879 -4.9879 -4.8540 -4.8540 -2.8379 -2.8379 -2.7442 -2.7442 -2.5931 -2.5931 1.9728 1.9728 2.1483 2.1483 3.0068 3.0068 3.7231 3.7231 9.6349 9.6349 11.7624 11.7624 13.1629 13.1629 15.3152 15.3152 k = 0.5000-0.2621 0.4978 ( 1756 PWs) bands (ev): -15.3930 -15.3930 -4.9879 -4.9879 -4.8565 -4.8565 -2.8393 -2.8393 -2.7440 -2.7440 -2.5998 -2.5998 1.9774 1.9774 2.1069 2.1069 3.0016 3.0016 3.8067 3.8067 9.6412 9.6412 11.6804 11.6804 13.0937 13.0937 15.4586 15.4586 k = 0.5000-0.2521 0.5056 ( 1752 PWs) bands (ev): -15.3925 -15.3925 -4.9879 -4.9879 -4.8593 -4.8593 -2.8409 -2.8409 -2.7438 -2.7438 -2.6072 -2.6072 1.9746 1.9746 2.0741 2.0741 2.9958 2.9958 3.8942 3.8942 9.6480 9.6480 11.5944 11.5944 13.0207 13.0207 15.6112 15.6112 k = 0.5000-0.2421 0.5135 ( 1748 PWs) bands (ev): -15.3919 -15.3919 -4.9879 -4.9879 -4.8623 -4.8623 -2.8426 -2.8426 -2.7435 -2.7435 -2.6152 -2.6152 1.9558 1.9558 2.0593 2.0593 2.9892 2.9892 3.9848 3.9848 9.6555 9.6555 11.5060 11.5060 12.9448 12.9448 15.7716 15.7716 k = 0.5000-0.2321 0.5214 ( 1748 PWs) bands (ev): -15.3914 -15.3914 -4.9879 -4.9879 -4.8655 -4.8655 -2.8444 -2.8444 -2.7433 -2.7433 -2.6237 -2.6237 1.9223 1.9223 2.0614 2.0614 2.9820 2.9820 4.0774 4.0774 9.6633 9.6633 11.4164 11.4164 12.8664 12.8664 15.9390 15.9390 k = 0.5000-0.2220 0.5293 ( 1756 PWs) bands (ev): -15.3908 -15.3908 -4.9879 -4.9879 -4.8690 -4.8690 -2.8463 -2.8463 -2.7430 -2.7430 -2.6329 -2.6329 1.8830 1.8830 2.0720 2.0720 2.9740 2.9740 4.1714 4.1714 9.6713 9.6713 11.3267 11.3267 12.7863 12.7863 16.1124 16.1124 k = 0.5000-0.2120 0.5371 ( 1756 PWs) bands (ev): -15.3902 -15.3902 -4.9879 -4.9879 -4.8726 -4.8726 -2.8482 -2.8482 -2.7427 -2.7427 -2.6423 -2.6423 1.8425 1.8425 2.0866 2.0866 2.9652 2.9652 4.2661 4.2661 9.6794 9.6794 11.2380 11.2380 12.7049 12.7049 16.2913 16.2913 k = 0.5000-0.2020 0.5450 ( 1756 PWs) bands (ev): -15.3896 -15.3896 -4.9878 -4.9878 -4.8764 -4.8764 -2.8500 -2.8500 -2.7424 -2.7424 -2.6521 -2.6521 1.8027 1.8027 2.1036 2.1036 2.9557 2.9557 4.3608 4.3608 9.6871 9.6871 11.1512 11.1512 12.6230 12.6230 16.4752 16.4752 k = 0.5000-0.1920 0.5529 ( 1752 PWs) bands (ev): -15.3890 -15.3890 -4.9878 -4.9878 -4.8802 -4.8802 -2.8519 -2.8519 -2.7420 -2.7420 -2.6621 -2.6621 1.7643 1.7643 2.1222 2.1222 2.9453 2.9453 4.4550 4.4550 9.6943 9.6943 11.0672 11.0672 12.5411 12.5411 16.6637 16.6637 k = 0.5000-0.1820 0.5608 ( 1752 PWs) bands (ev): -15.3884 -15.3884 -4.9877 -4.9877 -4.8841 -4.8841 -2.8536 -2.8536 -2.7417 -2.7417 -2.6722 -2.6722 1.7277 1.7277 2.1420 2.1420 2.9341 2.9341 4.5480 4.5480 9.7005 9.7005 10.9869 10.9869 12.4601 12.4601 16.8564 16.8564 k = 0.5000-0.1720 0.5686 ( 1750 PWs) bands (ev): -15.3878 -15.3878 -4.9876 -4.9876 -4.8881 -4.8881 -2.8553 -2.8553 -2.7413 -2.7413 -2.6824 -2.6824 1.6932 1.6932 2.1629 2.1629 2.9222 2.9222 4.6390 4.6390 9.7052 9.7052 10.9114 10.9114 12.3807 12.3807 17.0531 17.0531 k = 0.5000-0.1620 0.5765 ( 1754 PWs) bands (ev): -15.3873 -15.3873 -4.9876 -4.9876 -4.8921 -4.8921 -2.8569 -2.8569 -2.7409 -2.7409 -2.6927 -2.6927 1.6608 1.6608 2.1846 2.1846 2.9093 2.9093 4.7276 4.7276 9.7077 9.7077 10.8414 10.8414 12.3035 12.3035 17.2533 17.2533 k = 0.5000-0.1520 0.5844 ( 1758 PWs) bands (ev): -15.3868 -15.3868 -4.9875 -4.9875 -4.8961 -4.8961 -2.8582 -2.8582 -2.7406 -2.7406 -2.7028 -2.7028 1.6307 1.6307 2.2070 2.2070 2.8956 2.8956 4.8129 4.8129 9.7075 9.7075 10.7780 10.7780 12.2293 12.2293 17.4570 17.4570 k = 0.5000-0.1420 0.5923 ( 1758 PWs) bands (ev): -15.3864 -15.3864 -4.9873 -4.9873 -4.9000 -4.9000 -2.8594 -2.8594 -2.7402 -2.7402 -2.7128 -2.7128 1.6030 1.6030 2.2299 2.2299 2.8811 2.8811 4.8944 4.8944 9.7038 9.7038 10.7222 10.7222 12.1590 12.1590 17.6639 17.6639 k = 0.5000-0.1320 0.6002 ( 1754 PWs) bands (ev): -15.3860 -15.3860 -4.9871 -4.9871 -4.9038 -4.9038 -2.8603 -2.8603 -2.7399 -2.7399 -2.7225 -2.7225 1.5776 1.5776 2.2534 2.2534 2.8657 2.8657 4.9713 4.9713 9.6960 9.6960 10.6749 10.6749 12.0933 12.0933 17.8739 17.8739 k = 0.5000-0.1220 0.6080 ( 1754 PWs) bands (ev): -15.3857 -15.3857 -4.9869 -4.9869 -4.9076 -4.9076 -2.8610 -2.8610 -2.7398 -2.7398 -2.7318 -2.7318 1.5546 1.5546 2.2772 2.2772 2.8495 2.8495 5.0429 5.0429 9.6836 9.6836 10.6367 10.6367 12.0330 12.0330 18.0867 18.0867 k = 0.5000-0.1120 0.6159 ( 1754 PWs) bands (ev): -15.3855 -15.3855 -4.9866 -4.9866 -4.9112 -4.9112 -2.8614 -2.8614 -2.7428 -2.7428 -2.7375 -2.7375 1.5340 1.5340 2.3013 2.3013 2.8325 2.8325 5.1085 5.1085 9.6662 9.6662 10.6081 10.6081 11.9789 11.9789 18.3023 18.3023 k = 0.5000-0.1019 0.6238 ( 1746 PWs) bands (ev): -15.3853 -15.3853 -4.9862 -4.9862 -4.9147 -4.9147 -2.8614 -2.8614 -2.7509 -2.7509 -2.7378 -2.7378 1.5158 1.5158 2.3255 2.3255 2.8146 2.8146 5.1674 5.1674 9.6440 9.6440 10.5892 10.5892 11.9317 11.9317 18.5204 18.5204 k = 0.5000-0.0919 0.6317 ( 1750 PWs) bands (ev): -15.3852 -15.3852 -4.9858 -4.9858 -4.9181 -4.9181 -2.8611 -2.8611 -2.7593 -2.7593 -2.7374 -2.7374 1.5000 1.5000 2.3498 2.3498 2.7959 2.7959 5.2190 5.2190 9.6173 9.6173 10.5797 10.5797 11.8922 11.8922 18.7409 18.7409 k = 0.5000-0.0819 0.6395 ( 1746 PWs) bands (ev): -15.3853 -15.3853 -4.9852 -4.9852 -4.9213 -4.9213 -2.8604 -2.8604 -2.7673 -2.7673 -2.7370 -2.7370 1.4866 1.4866 2.3740 2.3740 2.7765 2.7765 5.2625 5.2625 9.5867 9.5867 10.5793 10.5793 11.8610 11.8610 18.9636 18.9636 k = 0.5000-0.0819 0.6395 ( 1746 PWs) bands (ev): -15.3853 -15.3853 -4.9852 -4.9852 -4.9213 -4.9213 -2.8604 -2.8604 -2.7673 -2.7673 -2.7370 -2.7370 1.4866 1.4866 2.3740 2.3740 2.7765 2.7765 5.2625 5.2625 9.5867 9.5867 10.5793 10.5793 11.8610 11.8610 18.9636 18.9636 k = 0.4937-0.0707 0.6395 ( 1744 PWs) bands (ev): -15.3853 -15.3853 -4.9848 -4.9848 -4.9235 -4.9235 -2.8597 -2.8597 -2.7728 -2.7728 -2.7366 -2.7366 1.4764 1.4764 2.3935 2.3935 2.7628 2.7628 5.2883 5.2883 9.5629 9.5629 10.5811 10.5811 11.8492 11.8492 19.1199 19.1199 k = 0.4874-0.0594 0.6395 ( 1742 PWs) bands (ev): -15.3854 -15.3854 -4.9843 -4.9843 -4.9257 -4.9257 -2.8589 -2.8589 -2.7783 -2.7783 -2.7362 -2.7362 1.4629 1.4629 2.4180 2.4180 2.7493 2.7493 5.3109 5.3109 9.5366 9.5366 10.5797 10.5797 11.8520 11.8520 19.2780 19.2780 k = 0.4811-0.0482 0.6395 ( 1740 PWs) bands (ev): -15.3856 -15.3856 -4.9839 -4.9839 -4.9279 -4.9279 -2.8582 -2.8582 -2.7835 -2.7835 -2.7359 -2.7359 1.4469 1.4469 2.4469 2.4469 2.7360 2.7360 5.3302 5.3302 9.5085 9.5085 10.5736 10.5736 11.8703 11.8703 19.4378 19.4378 k = 0.4748-0.0369 0.6395 ( 1740 PWs) bands (ev): -15.3858 -15.3858 -4.9835 -4.9835 -4.9302 -4.9302 -2.8575 -2.8575 -2.7885 -2.7885 -2.7357 -2.7357 1.4288 1.4288 2.4796 2.4796 2.7230 2.7230 5.3460 5.3460 9.4794 9.4794 10.5619 10.5619 11.9042 11.9042 19.5988 19.5988 k = 0.4685-0.0257 0.6395 ( 1742 PWs) bands (ev): -15.3860 -15.3860 -4.9831 -4.9831 -4.9324 -4.9324 -2.8569 -2.8569 -2.7931 -2.7931 -2.7357 -2.7357 1.4091 1.4091 2.5154 2.5154 2.7104 2.7104 5.3583 5.3583 9.4498 9.4498 10.5443 10.5443 11.9533 11.9533 19.7604 19.7604 k = 0.4623-0.0144 0.6395 ( 1744 PWs) bands (ev): -15.3863 -15.3863 -4.9826 -4.9826 -4.9346 -4.9346 -2.8565 -2.8565 -2.7970 -2.7970 -2.7358 -2.7358 1.3886 1.3886 2.5535 2.5535 2.6984 2.6984 5.3673 5.3673 9.4201 9.4201 10.5216 10.5216 12.0163 12.0163 19.9213 19.9213 k = 0.4560-0.0031 0.6395 ( 1739 PWs) bands (ev): -15.3865 -15.3865 -4.9822 -4.9822 -4.9367 -4.9367 -2.8565 -2.8565 -2.8003 -2.8003 -2.7361 -2.7361 1.3675 1.3675 2.5927 2.5927 2.6877 2.6877 5.3728 5.3728 9.3908 9.3908 10.4945 10.4945 12.0918 12.0918 20.0768 20.0768 k = 0.4497 0.0081 0.6395 ( 1739 PWs) bands (ev): -15.3868 -15.3868 -4.9818 -4.9818 -4.9388 -4.9388 -2.8568 -2.8568 -2.8027 -2.8027 -2.7365 -2.7365 1.3462 1.3462 2.6294 2.6294 2.6816 2.6816 5.3749 5.3749 9.3622 9.3622 10.4642 10.4642 12.1780 12.1780 20.2067 20.2067 k = 0.4434 0.0194 0.6395 ( 1737 PWs) bands (ev): -15.3872 -15.3872 -4.9814 -4.9814 -4.9407 -4.9407 -2.8577 -2.8577 -2.8043 -2.8043 -2.7370 -2.7370 1.3251 1.3251 2.6465 2.6465 2.6965 2.6965 5.3739 5.3739 9.3344 9.3344 10.4318 10.4318 12.2733 12.2733 20.2145 20.2145 k = 0.4371 0.0306 0.6395 ( 1735 PWs) bands (ev): -15.3875 -15.3875 -4.9811 -4.9811 -4.9425 -4.9425 -2.8589 -2.8589 -2.8049 -2.8049 -2.7378 -2.7378 1.3046 1.3046 2.6419 2.6419 2.7341 2.7341 5.3697 5.3697 9.3078 9.3078 10.3983 10.3983 12.3758 12.3758 20.0743 20.0743 k = 0.4308 0.0419 0.6395 ( 1735 PWs) bands (ev): -15.3879 -15.3879 -4.9808 -4.9808 -4.9442 -4.9442 -2.8607 -2.8607 -2.8046 -2.8046 -2.7386 -2.7386 1.2847 1.2847 2.6330 2.6330 2.7767 2.7767 5.3627 5.3627 9.2826 9.2826 10.3645 10.3645 12.4842 12.4842 19.8967 19.8967 k = 0.4245 0.0531 0.6395 ( 1731 PWs) bands (ev): -15.3882 -15.3882 -4.9805 -4.9805 -4.9457 -4.9457 -2.8627 -2.8627 -2.8036 -2.8036 -2.7397 -2.7397 1.2659 1.2659 2.6234 2.6234 2.8202 2.8202 5.3530 5.3530 9.2588 9.2588 10.3313 10.3313 12.5968 12.5968 19.7122 19.7122 k = 0.4182 0.0644 0.6395 ( 1727 PWs) bands (ev): -15.3886 -15.3886 -4.9804 -4.9804 -4.9469 -4.9469 -2.8649 -2.8649 -2.8019 -2.8019 -2.7408 -2.7408 1.2481 1.2481 2.6140 2.6140 2.8634 2.8634 5.3409 5.3409 9.2366 9.2366 10.2992 10.2992 12.7123 12.7123 19.5279 19.5279 k = 0.4119 0.0756 0.6395 ( 1729 PWs) bands (ev): -15.3890 -15.3890 -4.9804 -4.9804 -4.9480 -4.9480 -2.8672 -2.8672 -2.7997 -2.7997 -2.7420 -2.7420 1.2315 1.2315 2.6049 2.6049 2.9057 2.9057 5.3266 5.3266 9.2162 9.2162 10.2686 10.2686 12.8291 12.8291 19.3469 19.3469 k = 0.4056 0.0869 0.6395 ( 1729 PWs) bands (ev): -15.3893 -15.3893 -4.9804 -4.9804 -4.9488 -4.9488 -2.8694 -2.8694 -2.7971 -2.7971 -2.7433 -2.7433 1.2164 1.2164 2.5963 2.5963 2.9465 2.9465 5.3106 5.3106 9.1975 9.1975 10.2401 10.2401 12.9456 12.9456 19.1712 19.1712 k = 0.3993 0.0981 0.6395 ( 1726 PWs) bands (ev): -15.3897 -15.3897 -4.9806 -4.9806 -4.9492 -4.9492 -2.8715 -2.8715 -2.7943 -2.7943 -2.7446 -2.7446 1.2027 1.2027 2.5882 2.5882 2.9854 2.9854 5.2932 5.2932 9.1807 9.1807 10.2138 10.2138 13.0605 13.0605 19.0027 19.0027 k = 0.3931 0.1094 0.6395 ( 1726 PWs) bands (ev): -15.3900 -15.3900 -4.9809 -4.9809 -4.9494 -4.9494 -2.8734 -2.8734 -2.7913 -2.7913 -2.7459 -2.7459 1.1906 1.1906 2.5808 2.5808 3.0220 3.0220 5.2747 5.2747 9.1658 9.1658 10.1902 10.1902 13.1718 13.1718 18.8432 18.8432 k = 0.3868 0.1207 0.6395 ( 1728 PWs) bands (ev): -15.3904 -15.3904 -4.9813 -4.9813 -4.9493 -4.9493 -2.8751 -2.8751 -2.7883 -2.7883 -2.7471 -2.7471 1.1801 1.1801 2.5739 2.5739 3.0556 3.0556 5.2555 5.2555 9.1529 9.1529 10.1692 10.1692 13.2778 13.2778 18.6946 18.6946 k = 0.3805 0.1319 0.6395 ( 1726 PWs) bands (ev): -15.3907 -15.3907 -4.9818 -4.9818 -4.9489 -4.9489 -2.8764 -2.8764 -2.7853 -2.7853 -2.7481 -2.7481 1.1714 1.1714 2.5677 2.5677 3.0859 3.0859 5.2361 5.2361 9.1421 9.1421 10.1513 10.1513 13.3766 13.3766 18.5589 18.5589 k = 0.3742 0.1432 0.6395 ( 1729 PWs) bands (ev): -15.3911 -15.3911 -4.9824 -4.9824 -4.9482 -4.9482 -2.8775 -2.8775 -2.7827 -2.7827 -2.7487 -2.7487 1.1645 1.1645 2.5622 2.5622 3.1125 3.1125 5.2169 5.2169 9.1334 9.1334 10.1363 10.1363 13.4660 13.4660 18.4381 18.4381 k = 0.3679 0.1544 0.6395 ( 1733 PWs) bands (ev): -15.3914 -15.3914 -4.9830 -4.9830 -4.9473 -4.9473 -2.8782 -2.8782 -2.7806 -2.7806 -2.7489 -2.7489 1.1594 1.1594 2.5574 2.5574 3.1349 3.1349 5.1982 5.1982 9.1267 9.1267 10.1246 10.1246 13.5438 13.5438 18.3345 18.3345 k = 0.3616 0.1657 0.6395 ( 1733 PWs) bands (ev): -15.3917 -15.3917 -4.9837 -4.9837 -4.9462 -4.9462 -2.8785 -2.8785 -2.7791 -2.7791 -2.7482 -2.7482 1.1562 1.1562 2.5534 2.5534 3.1528 3.1528 5.1804 5.1804 9.1222 9.1222 10.1160 10.1160 13.6081 13.6081 18.2501 18.2501 k = 0.3553 0.1769 0.6395 ( 1734 PWs) bands (ev): -15.3919 -15.3919 -4.9843 -4.9843 -4.9448 -4.9448 -2.8785 -2.8785 -2.7784 -2.7784 -2.7468 -2.7468 1.1549 1.1549 2.5500 2.5500 3.1657 3.1657 5.1639 5.1639 9.1199 9.1199 10.1108 10.1108 13.6567 13.6567 18.1869 18.1869 k = 0.3490 0.1882 0.6395 ( 1731 PWs) bands (ev): -15.3922 -15.3922 -4.9850 -4.9850 -4.9431 -4.9431 -2.8782 -2.8782 -2.7785 -2.7785 -2.7446 -2.7446 1.1555 1.1555 2.5474 2.5474 3.1735 3.1735 5.1489 5.1489 9.1197 9.1197 10.1089 10.1089 13.6881 13.6881 18.1465 18.1465 k = 0.3427 0.1994 0.6395 ( 1731 PWs) bands (ev): -15.3924 -15.3924 -4.9856 -4.9856 -4.9414 -4.9414 -2.8774 -2.8774 -2.7791 -2.7791 -2.7417 -2.7417 1.1581 1.1581 2.5455 2.5455 3.1759 3.1759 5.1356 5.1356 9.1218 9.1218 10.1104 10.1104 13.7013 13.7013 18.1299 18.1299 k = 0.3364 0.2107 0.6395 ( 1729 PWs) bands (ev): -15.3926 -15.3926 -4.9862 -4.9862 -4.9394 -4.9394 -2.8764 -2.8764 -2.7802 -2.7802 -2.7384 -2.7384 1.1627 1.1627 2.5444 2.5444 3.1729 3.1729 5.1240 5.1240 9.1260 9.1260 10.1153 10.1153 13.6957 13.6957 18.1377 18.1377 k = 0.3301 0.2220 0.6395 ( 1728 PWs) bands (ev): -15.3928 -15.3928 -4.9867 -4.9867 -4.9372 -4.9372 -2.8751 -2.8751 -2.7816 -2.7816 -2.7347 -2.7347 1.1693 1.1693 2.5440 2.5440 3.1644 3.1644 5.1143 5.1143 9.1324 9.1324 10.1236 10.1236 13.6717 13.6717 18.1694 18.1694 k = 0.3239 0.2332 0.6395 ( 1733 PWs) bands (ev): -15.3929 -15.3929 -4.9873 -4.9873 -4.9350 -4.9350 -2.8735 -2.8735 -2.7831 -2.7831 -2.7309 -2.7309 1.1780 1.1780 2.5444 2.5444 3.1504 3.1504 5.1062 5.1062 9.1410 9.1410 10.1353 10.1353 13.6302 13.6302 18.2241 18.2241 k = 0.3176 0.2445 0.6395 ( 1737 PWs) bands (ev): -15.3930 -15.3930 -4.9878 -4.9878 -4.9326 -4.9326 -2.8716 -2.8716 -2.7846 -2.7846 -2.7269 -2.7269 1.1887 1.1887 2.5454 2.5454 3.1313 3.1313 5.0996 5.0996 9.1518 9.1518 10.1504 10.1504 13.5728 13.5728 18.3003 18.3003 k = 0.3113 0.2557 0.6395 ( 1735 PWs) bands (ev): -15.3931 -15.3931 -4.9882 -4.9882 -4.9300 -4.9300 -2.8696 -2.8696 -2.7861 -2.7861 -2.7229 -2.7229 1.2014 1.2014 2.5472 2.5472 3.1072 3.1072 5.0943 5.0943 9.1647 9.1647 10.1688 10.1688 13.5012 13.5012 18.3959 18.3959 k = 0.3050 0.2670 0.6395 ( 1733 PWs) bands (ev): -15.3932 -15.3932 -4.9886 -4.9886 -4.9273 -4.9273 -2.8674 -2.8674 -2.7873 -2.7873 -2.7189 -2.7189 1.2162 1.2162 2.5497 2.5497 3.0784 3.0784 5.0899 5.0899 9.1798 9.1798 10.1906 10.1906 13.4177 13.4177 18.5089 18.5089 k = 0.2987 0.2782 0.6395 ( 1735 PWs) bands (ev): -15.3932 -15.3932 -4.9889 -4.9889 -4.9245 -4.9245 -2.8652 -2.8652 -2.7882 -2.7882 -2.7149 -2.7149 1.2330 1.2330 2.5529 2.5529 3.0454 3.0454 5.0860 5.0860 9.1970 9.1970 10.2156 10.2156 13.3243 13.3243 18.6369 18.6369 k = 0.2924 0.2895 0.6395 ( 1731 PWs) bands (ev): -15.3932 -15.3932 -4.9891 -4.9891 -4.9216 -4.9216 -2.8630 -2.8630 -2.7887 -2.7887 -2.7110 -2.7110 1.2519 1.2519 2.5568 2.5568 3.0085 3.0085 5.0824 5.0824 9.2163 9.2163 10.2439 10.2439 13.2230 13.2230 18.7777 18.7777 k = 0.2861 0.3007 0.6395 ( 1735 PWs) bands (ev): -15.3932 -15.3932 -4.9894 -4.9894 -4.9187 -4.9187 -2.8610 -2.8610 -2.7888 -2.7888 -2.7072 -2.7072 1.2728 1.2728 2.5612 2.5612 2.9682 2.9682 5.0785 5.0785 9.2376 9.2376 10.2753 10.2753 13.1159 13.1159 18.9287 18.9287 k = 0.2798 0.3120 0.6395 ( 1733 PWs) bands (ev): -15.3931 -15.3931 -4.9896 -4.9896 -4.9156 -4.9156 -2.8591 -2.8591 -2.7883 -2.7883 -2.7036 -2.7036 1.2957 1.2957 2.5662 2.5662 2.9250 2.9250 5.0741 5.0741 9.2609 9.2609 10.3096 10.3096 13.0046 13.0046 19.0868 19.0868 k = 0.2735 0.3232 0.6395 ( 1737 PWs) bands (ev): -15.3931 -15.3931 -4.9898 -4.9898 -4.9125 -4.9125 -2.8576 -2.8576 -2.7872 -2.7872 -2.7001 -2.7001 1.3207 1.3207 2.5717 2.5717 2.8792 2.8792 5.0686 5.0686 9.2862 9.2862 10.3469 10.3469 12.8907 12.8907 19.2452 19.2452 k = 0.2672 0.3345 0.6395 ( 1741 PWs) bands (ev): -15.3930 -15.3930 -4.9899 -4.9899 -4.9094 -4.9094 -2.8564 -2.8564 -2.7853 -2.7853 -2.6967 -2.6967 1.3476 1.3476 2.5776 2.5776 2.8315 2.8315 5.0619 5.0619 9.3133 9.3133 10.3868 10.3868 12.7758 12.7758 19.3638 19.3638 k = 0.2609 0.3458 0.6395 ( 1737 PWs) bands (ev): -15.3928 -15.3928 -4.9900 -4.9900 -4.9061 -4.9061 -2.8555 -2.8555 -2.7827 -2.7827 -2.6935 -2.6935 1.3764 1.3764 2.5836 2.5836 2.7824 2.7824 5.0535 5.0535 9.3423 9.3423 10.4292 10.4292 12.6610 12.6610 19.2917 19.2917 k = 0.2547 0.3570 0.6395 ( 1736 PWs) bands (ev): -15.3927 -15.3927 -4.9901 -4.9901 -4.9029 -4.9029 -2.8550 -2.8550 -2.7794 -2.7794 -2.6905 -2.6905 1.4072 1.4072 2.5891 2.5891 2.7328 2.7328 5.0433 5.0433 9.3729 9.3729 10.4737 10.4737 12.5475 12.5475 19.1314 19.1314 k = 0.2484 0.3683 0.6395 ( 1736 PWs) bands (ev): -15.3925 -15.3925 -4.9901 -4.9901 -4.8997 -4.8997 -2.8549 -2.8549 -2.7754 -2.7754 -2.6878 -2.6878 1.4398 1.4398 2.5921 2.5921 2.6852 2.6852 5.0309 5.0309 9.4052 9.4052 10.5201 10.5201 12.4366 12.4366 18.9609 18.9609 k = 0.2421 0.3795 0.6395 ( 1734 PWs) bands (ev): -15.3923 -15.3923 -4.9901 -4.9901 -4.8965 -4.8965 -2.8551 -2.8551 -2.7709 -2.7709 -2.6852 -2.6852 1.4742 1.4742 2.5841 2.5841 2.6482 2.6482 5.0163 5.0163 9.4390 9.4390 10.5680 10.5680 12.3291 12.3291 18.7892 18.7892 k = 0.2358 0.3908 0.6395 ( 1735 PWs) bands (ev): -15.3921 -15.3921 -4.9902 -4.9902 -4.8933 -4.8933 -2.8555 -2.8555 -2.7658 -2.7658 -2.6828 -2.6828 1.5103 1.5103 2.5505 2.5505 2.6369 2.6369 4.9993 4.9993 9.4742 9.4742 10.6167 10.6167 12.2264 12.2264 18.6184 18.6184 k = 0.2295 0.4020 0.6395 ( 1731 PWs) bands (ev): -15.3919 -15.3919 -4.9902 -4.9902 -4.8901 -4.8901 -2.8561 -2.8561 -2.7604 -2.7604 -2.6807 -2.6807 1.5480 1.5480 2.5024 2.5024 2.6402 2.6402 4.9797 4.9797 9.5107 9.5107 10.6657 10.6657 12.1294 12.1294 18.4491 18.4491 k = 0.2232 0.4133 0.6395 ( 1729 PWs) bands (ev): -15.3917 -15.3917 -4.9902 -4.9902 -4.8870 -4.8870 -2.8567 -2.8567 -2.7546 -2.7546 -2.6788 -2.6788 1.5872 1.5872 2.4507 2.4507 2.6477 2.6477 4.9577 4.9577 9.5482 9.5482 10.7141 10.7141 12.0394 12.0394 18.2817 18.2817 k = 0.2169 0.4245 0.6395 ( 1728 PWs) bands (ev): -15.3914 -15.3914 -4.9902 -4.9902 -4.8840 -4.8840 -2.8575 -2.8575 -2.7486 -2.7486 -2.6771 -2.6771 1.6278 1.6278 2.3983 2.3983 2.6568 2.6568 4.9332 4.9332 9.5865 9.5865 10.7609 10.7609 11.9578 11.9578 18.1164 18.1164 k = 0.2106 0.4358 0.6395 ( 1730 PWs) bands (ev): -15.3912 -15.3912 -4.9902 -4.9902 -4.8811 -4.8811 -2.8583 -2.8583 -2.7424 -2.7424 -2.6756 -2.6756 1.6694 1.6694 2.3459 2.3459 2.6667 2.6667 4.9062 4.9062 9.6255 9.6255 10.8047 10.8047 11.8863 11.8863 17.9532 17.9532 k = 0.2043 0.4470 0.6395 ( 1728 PWs) bands (ev): -15.3909 -15.3909 -4.9902 -4.9902 -4.8782 -4.8782 -2.8590 -2.8590 -2.7361 -2.7361 -2.6744 -2.6744 1.7119 1.7119 2.2945 2.2945 2.6771 2.6771 4.8769 4.8769 9.6649 9.6649 10.8441 10.8441 11.8266 11.8266 17.7923 17.7923 k = 0.1980 0.4583 0.6395 ( 1734 PWs) bands (ev): -15.3907 -15.3907 -4.9903 -4.9903 -4.8756 -4.8756 -2.8598 -2.8598 -2.7299 -2.7299 -2.6734 -2.6734 1.7546 1.7546 2.2444 2.2444 2.6880 2.6880 4.8454 4.8454 9.7043 9.7043 10.8775 10.8775 11.7807 11.7807 17.6337 17.6337 k = 0.1917 0.4696 0.6395 ( 1737 PWs) bands (ev): -15.3904 -15.3904 -4.9903 -4.9903 -4.8730 -4.8730 -2.8605 -2.8605 -2.7238 -2.7238 -2.6725 -2.6725 1.7969 1.7969 2.1967 2.1967 2.6992 2.6992 4.8119 4.8119 9.7433 9.7433 10.9033 10.9033 11.7503 11.7503 17.4774 17.4774 k = 0.1855 0.4808 0.6395 ( 1735 PWs) bands (ev): -15.3902 -15.3902 -4.9903 -4.9903 -4.8706 -4.8706 -2.8611 -2.8611 -2.7178 -2.7178 -2.6718 -2.6718 1.8373 1.8373 2.1527 2.1527 2.7107 2.7107 4.7767 4.7767 9.7814 9.7814 10.9210 10.9210 11.7363 11.7363 17.3236 17.3236 k = 0.1792 0.4921 0.6395 ( 1735 PWs) bands (ev): -15.3899 -15.3899 -4.9904 -4.9904 -4.8684 -4.8684 -2.8616 -2.8616 -2.7121 -2.7121 -2.6711 -2.6711 1.8724 1.8724 2.1157 2.1157 2.7223 2.7223 4.7401 4.7401 9.8182 9.8182 10.9310 10.9310 11.7387 11.7387 17.1722 17.1722 k = 0.1729 0.5033 0.6395 ( 1734 PWs) bands (ev): -15.3897 -15.3897 -4.9904 -4.9904 -4.8663 -4.8663 -2.8621 -2.8621 -2.7068 -2.7068 -2.6705 -2.6705 1.8955 1.8955 2.0925 2.0925 2.7342 2.7342 4.7023 4.7023 9.8529 9.8529 10.9351 10.9351 11.7561 11.7561 17.0234 17.0234 k = 0.1729 0.5033 0.6395 ( 1734 PWs) bands (ev): -15.3897 -15.3897 -4.9904 -4.9904 -4.8663 -4.8663 -2.8621 -2.8621 -2.7068 -2.7068 -2.6705 -2.6705 1.8955 1.8955 2.0925 2.0925 2.7342 2.7342 4.7023 4.7023 9.8529 9.8529 10.9351 10.9351 11.7561 11.7561 17.0234 17.0234 k = 0.1642 0.5092 0.6320 ( 1734 PWs) bands (ev): -15.3894 -15.3894 -4.9905 -4.9905 -4.8637 -4.8637 -2.8625 -2.8625 -2.7003 -2.7003 -2.6691 -2.6691 1.9151 1.9151 2.0750 2.0750 2.7502 2.7502 4.6474 4.6474 9.8977 9.8977 10.9407 10.9407 11.7927 11.7927 16.8223 16.8223 k = 0.1556 0.5152 0.6245 ( 1730 PWs) bands (ev): -15.3891 -15.3891 -4.9905 -4.9905 -4.8609 -4.8609 -2.8627 -2.8627 -2.6949 -2.6949 -2.6665 -2.6665 1.9356 1.9356 2.0593 2.0593 2.7655 2.7655 4.5878 4.5878 9.9393 9.9393 10.9525 10.9525 11.8357 11.8357 16.6245 16.6245 k = 0.1469 0.5211 0.6170 ( 1730 PWs) bands (ev): -15.3889 -15.3889 -4.9905 -4.9905 -4.8582 -4.8582 -2.8627 -2.8627 -2.6909 -2.6909 -2.6626 -2.6626 1.9550 1.9550 2.0473 2.0473 2.7800 2.7800 4.5244 4.5244 9.9768 9.9768 10.9712 10.9712 11.8844 11.8844 16.4302 16.4302 k = 0.1383 0.5270 0.6095 ( 1730 PWs) bands (ev): -15.3887 -15.3887 -4.9905 -4.9905 -4.8555 -4.8555 -2.8625 -2.8625 -2.6884 -2.6884 -2.6572 -2.6572 1.9687 1.9687 2.0436 2.0436 2.7937 2.7937 4.4577 4.4577 10.0097 10.0097 10.9974 10.9974 11.9378 11.9378 16.2395 16.2395 k = 0.1297 0.5329 0.6020 ( 1734 PWs) bands (ev): -15.3885 -15.3885 -4.9904 -4.9904 -4.8529 -4.8529 -2.8622 -2.8622 -2.6869 -2.6869 -2.6510 -2.6510 1.9706 1.9706 2.0543 2.0543 2.8066 2.8066 4.3883 4.3883 10.0377 10.0377 11.0311 11.0311 11.9950 11.9950 16.0528 16.0528 k = 0.1210 0.5388 0.5944 ( 1738 PWs) bands (ev): -15.3884 -15.3884 -4.9904 -4.9904 -4.8503 -4.8503 -2.8618 -2.8618 -2.6861 -2.6861 -2.6442 -2.6442 1.9629 1.9629 2.0772 2.0772 2.8188 2.8188 4.3169 4.3169 10.0606 10.0606 11.0723 11.0723 12.0553 12.0553 15.8702 15.8702 k = 0.1124 0.5447 0.5869 ( 1738 PWs) bands (ev): -15.3883 -15.3883 -4.9904 -4.9904 -4.8478 -4.8478 -2.8612 -2.8612 -2.6857 -2.6857 -2.6372 -2.6372 1.9514 1.9514 2.1065 2.1065 2.8301 2.8301 4.2443 4.2443 10.0787 10.0787 11.1202 11.1202 12.1178 12.1178 15.6921 15.6921 k = 0.1037 0.5506 0.5794 ( 1740 PWs) bands (ev): -15.3883 -15.3883 -4.9903 -4.9903 -4.8454 -4.8454 -2.8606 -2.8606 -2.6855 -2.6855 -2.6302 -2.6302 1.9388 1.9388 2.1393 2.1393 2.8407 2.8407 4.1709 4.1709 10.0924 10.0924 11.1740 11.1740 12.1818 12.1818 15.5190 15.5190 k = 0.0951 0.5566 0.5719 ( 1740 PWs) bands (ev): -15.3883 -15.3883 -4.9903 -4.9903 -4.8431 -4.8431 -2.8599 -2.8599 -2.6855 -2.6855 -2.6234 -2.6234 1.9262 1.9262 2.1743 2.1743 2.8504 2.8504 4.0976 4.0976 10.1024 10.1024 11.2324 11.2324 12.2466 12.2466 15.3512 15.3512 k = 0.0864 0.5625 0.5644 ( 1736 PWs) bands (ev): -15.3882 -15.3882 -4.9902 -4.9902 -4.8409 -4.8409 -2.8592 -2.8592 -2.6855 -2.6855 -2.6169 -2.6169 1.9141 1.9141 2.2107 2.2107 2.8594 2.8594 4.0251 4.0251 10.1093 10.1093 11.2942 11.2942 12.3115 12.3115 15.1894 15.1894 k = 0.0778 0.5684 0.5569 ( 1740 PWs) bands (ev): -15.3882 -15.3882 -4.9902 -4.9902 -4.8388 -4.8388 -2.8584 -2.8584 -2.6856 -2.6856 -2.6108 -2.6108 1.9028 1.9028 2.2480 2.2480 2.8675 2.8675 3.9540 3.9540 10.1138 10.1138 11.3576 11.3576 12.3760 12.3760 15.0342 15.0342 k = 0.0692 0.5743 0.5493 ( 1732 PWs) bands (ev): -15.3882 -15.3882 -4.9900 -4.9900 -4.8369 -4.8369 -2.8577 -2.8577 -2.6857 -2.6857 -2.6051 -2.6051 1.8924 1.8924 2.2857 2.2857 2.8749 2.8749 3.8853 3.8853 10.1164 10.1164 11.4212 11.4212 12.4392 12.4392 14.8867 14.8867 k = 0.0605 0.5802 0.5418 ( 1728 PWs) bands (ev): -15.3882 -15.3882 -4.9900 -4.9900 -4.8352 -4.8352 -2.8569 -2.8569 -2.6858 -2.6858 -2.6000 -2.6000 1.8831 1.8831 2.3229 2.3229 2.8815 2.8815 3.8199 3.8199 10.1177 10.1177 11.4833 11.4833 12.5007 12.5007 14.7480 14.7480 k = 0.0519 0.5861 0.5343 ( 1728 PWs) bands (ev): -15.3882 -15.3882 -4.9899 -4.9899 -4.8337 -4.8337 -2.8563 -2.8563 -2.6859 -2.6859 -2.5954 -2.5954 1.8748 1.8748 2.3589 2.3589 2.8874 2.8874 3.7589 3.7589 10.1181 10.1181 11.5420 11.5420 12.5595 12.5595 14.6195 14.6195 k = 0.0432 0.5920 0.5268 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9899 -4.9899 -4.8325 -4.8325 -2.8557 -2.8557 -2.6860 -2.6860 -2.5915 -2.5915 1.8677 1.8677 2.3927 2.3927 2.8925 2.8925 3.7033 3.7033 10.1179 10.1179 11.5956 11.5956 12.6145 12.6145 14.5032 14.5032 k = 0.0346 0.5980 0.5193 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8314 -4.8314 -2.8552 -2.8552 -2.6861 -2.6861 -2.5882 -2.5882 1.8619 1.8619 2.4231 2.4231 2.8968 2.8968 3.6548 3.6548 10.1174 10.1174 11.6424 11.6424 12.6643 12.6643 14.4015 14.4015 k = 0.0259 0.6039 0.5118 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8305 -4.8305 -2.8548 -2.8548 -2.6862 -2.6862 -2.5856 -2.5856 1.8573 1.8573 2.4488 2.4488 2.9003 2.9003 3.6146 3.6146 10.1168 10.1168 11.6808 11.6808 12.7069 12.7069 14.3172 14.3172 k = 0.0173 0.6098 0.5043 ( 1724 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8299 -4.8299 -2.8545 -2.8545 -2.6862 -2.6862 -2.5838 -2.5838 1.8540 1.8540 2.4685 2.4685 2.9029 2.9029 3.5845 3.5845 10.1163 10.1163 11.7094 11.7094 12.7401 12.7401 14.2535 14.2535 k = 0.0086 0.6157 0.4967 ( 1724 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8296 -4.8296 -2.8543 -2.8543 -2.6863 -2.6863 -2.5826 -2.5826 1.8520 1.8520 2.4809 2.4809 2.9045 2.9045 3.5657 3.5657 10.1159 10.1159 11.7270 11.7270 12.7613 12.7613 14.2137 14.2137 k = 0.0000 0.6216 0.4892 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8295 -4.8295 -2.8543 -2.8543 -2.6863 -2.6863 -2.5823 -2.5823 1.8513 1.8513 2.4851 2.4851 2.9050 2.9050 3.5593 3.5593 10.1158 10.1158 11.7329 11.7329 12.7686 12.7686 14.2001 14.2001 k = 0.0000 0.6216 0.4892 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8295 -4.8295 -2.8543 -2.8543 -2.6863 -2.6863 -2.5823 -2.5823 1.8513 1.8513 2.4851 2.4851 2.9050 2.9050 3.5593 3.5593 10.1158 10.1158 11.7329 11.7329 12.7686 12.7686 14.2001 14.2001 k = 0.0000 0.6114 0.4812 ( 1725 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8297 -4.8297 -2.8543 -2.8543 -2.6866 -2.6866 -2.5826 -2.5826 1.8464 1.8464 2.4855 2.4855 2.9054 2.9054 3.5661 3.5661 10.1153 10.1153 11.7336 11.7336 12.7694 12.7694 14.2013 14.2013 k = 0.0000 0.6012 0.4732 ( 1729 PWs) bands (ev): -15.3883 -15.3883 -4.9899 -4.9899 -4.8305 -4.8305 -2.8543 -2.8543 -2.6875 -2.6875 -2.5838 -2.5838 1.8317 1.8317 2.4869 2.4869 2.9066 2.9066 3.5863 3.5863 10.1138 10.1138 11.7355 11.7355 12.7718 12.7718 14.2046 14.2046 k = 0.0000 0.5910 0.4652 ( 1729 PWs) bands (ev): -15.3883 -15.3883 -4.9900 -4.9900 -4.8317 -4.8317 -2.8543 -2.8543 -2.6890 -2.6890 -2.5857 -2.5857 1.8081 1.8081 2.4893 2.4893 2.9086 2.9086 3.6189 3.6189 10.1114 10.1114 11.7388 11.7388 12.7758 12.7758 14.2103 14.2103 k = 0.0000 0.5809 0.4571 ( 1729 PWs) bands (ev): -15.3883 -15.3883 -4.9901 -4.9901 -4.8335 -4.8335 -2.8543 -2.8543 -2.6911 -2.6911 -2.5883 -2.5883 1.7767 1.7767 2.4927 2.4927 2.9114 2.9114 3.6626 3.6626 10.1083 10.1083 11.7435 11.7435 12.7814 12.7814 14.2181 14.2181 k = 0.0000 0.5707 0.4491 ( 1733 PWs) bands (ev): -15.3883 -15.3883 -4.9903 -4.9903 -4.8358 -4.8358 -2.8543 -2.8543 -2.6939 -2.6939 -2.5916 -2.5916 1.7387 1.7387 2.4972 2.4972 2.9149 2.9149 3.7160 3.7160 10.1045 10.1045 11.7495 11.7495 12.7887 12.7887 14.2283 14.2283 k = 0.0000 0.5605 0.4411 ( 1733 PWs) bands (ev): -15.3884 -15.3884 -4.9905 -4.9905 -4.8385 -4.8385 -2.8543 -2.8543 -2.6972 -2.6972 -2.5955 -2.5955 1.6953 1.6953 2.5027 2.5027 2.9192 2.9192 3.7775 3.7775 10.1003 10.1003 11.7571 11.7571 12.7976 12.7976 14.2406 14.2406 k = 0.0000 0.5503 0.4331 ( 1733 PWs) bands (ev): -15.3884 -15.3884 -4.9908 -4.9908 -4.8416 -4.8416 -2.8543 -2.8543 -2.7011 -2.7011 -2.6000 -2.6000 1.6480 1.6480 2.5093 2.5093 2.9242 2.9242 3.8454 3.8454 10.0961 10.0961 11.7662 11.7662 12.8082 12.8082 14.2553 14.2553 k = 0.0000 0.5401 0.4251 ( 1731 PWs) bands (ev): -15.3884 -15.3884 -4.9910 -4.9910 -4.8451 -4.8451 -2.8543 -2.8543 -2.7055 -2.7055 -2.6050 -2.6050 1.5977 1.5977 2.5169 2.5169 2.9300 2.9300 3.9184 3.9184 10.0920 10.0920 11.7768 11.7768 12.8206 12.8206 14.2722 14.2722 k = 0.0000 0.5299 0.4170 ( 1737 PWs) bands (ev): -15.3885 -15.3885 -4.9914 -4.9914 -4.8491 -4.8491 -2.8543 -2.8543 -2.7105 -2.7105 -2.6105 -2.6105 1.5454 1.5454 2.5255 2.5255 2.9364 2.9364 3.9950 3.9950 10.0885 10.0885 11.7892 11.7892 12.8347 12.8347 14.2914 14.2914 k = 0.0000 0.5197 0.4090 ( 1737 PWs) bands (ev): -15.3886 -15.3886 -4.9918 -4.9918 -4.8534 -4.8534 -2.8543 -2.8543 -2.7160 -2.7160 -2.6164 -2.6164 1.4919 1.4919 2.5351 2.5351 2.9434 2.9434 4.0740 4.0740 10.0860 10.0860 11.8034 11.8034 12.8506 12.8506 14.3128 14.3128 k = 0.0000 0.5095 0.4010 ( 1737 PWs) bands (ev): -15.3888 -15.3888 -4.9922 -4.9922 -4.8579 -4.8579 -2.8543 -2.8543 -2.7220 -2.7220 -2.6226 -2.6226 1.4379 1.4379 2.5455 2.5455 2.9510 2.9510 4.1543 4.1543 10.0849 10.0849 11.8195 11.8195 12.8684 12.8684 14.3366 14.3366 k = 0.0000 0.4993 0.3930 ( 1741 PWs) bands (ev): -15.3890 -15.3890 -4.9926 -4.9926 -4.8628 -4.8628 -2.8543 -2.8543 -2.7285 -2.7285 -2.6291 -2.6291 1.3840 1.3840 2.5568 2.5568 2.9591 2.9591 4.2346 4.2346 10.0858 10.0858 11.8377 11.8377 12.8880 12.8880 14.3626 14.3626 k = 0.0000 0.4891 0.3850 ( 1741 PWs) bands (ev): -15.3892 -15.3892 -4.9931 -4.9931 -4.8679 -4.8679 -2.8543 -2.8543 -2.7353 -2.7353 -2.6358 -2.6358 1.3305 1.3305 2.5689 2.5689 2.9678 2.9678 4.3140 4.3140 10.0892 10.0892 11.8580 11.8580 12.9097 12.9097 14.3909 14.3909 k = 0.0000 0.4790 0.3769 ( 1741 PWs) bands (ev): -15.3895 -15.3895 -4.9936 -4.9936 -4.8732 -4.8732 -2.8543 -2.8543 -2.7425 -2.7425 -2.6427 -2.6427 1.2779 1.2779 2.5816 2.5816 2.9768 2.9768 4.3915 4.3915 10.0957 10.0957 11.8805 11.8805 12.9333 12.9333 14.4216 14.4216 k = 0.0000 0.4688 0.3689 ( 1745 PWs) bands (ev): -15.3899 -15.3899 -4.9942 -4.9942 -4.8787 -4.8787 -2.8543 -2.8543 -2.7500 -2.7500 -2.6497 -2.6497 1.2263 1.2263 2.5950 2.5950 2.9863 2.9863 4.4661 4.4661 10.1059 10.1059 11.9055 11.9055 12.9590 12.9590 14.4545 14.4545 k = 0.0000 0.4586 0.3609 ( 1745 PWs) bands (ev): -15.3903 -15.3903 -4.9948 -4.9948 -4.8842 -4.8842 -2.8543 -2.8543 -2.7577 -2.7577 -2.6567 -2.6567 1.1762 1.1762 2.6090 2.6090 2.9961 2.9961 4.5369 4.5369 10.1204 10.1204 11.9330 11.9330 12.9869 12.9869 14.4898 14.4898 k = 0.0000 0.4484 0.3529 ( 1749 PWs) bands (ev): -15.3908 -15.3908 -4.9955 -4.9955 -4.8899 -4.8899 -2.8543 -2.8543 -2.7655 -2.7655 -2.6638 -2.6638 1.1275 1.1275 2.6235 2.6235 3.0061 3.0061 4.6031 4.6031 10.1397 10.1397 11.9633 11.9633 13.0169 13.0169 14.5274 14.5274 k = 0.0000 0.4382 0.3449 ( 1761 PWs) bands (ev): -15.3914 -15.3914 -4.9962 -4.9962 -4.8956 -4.8956 -2.8544 -2.8544 -2.7734 -2.7734 -2.6710 -2.6710 1.0805 1.0805 2.6384 2.6384 3.0164 3.0164 4.6639 4.6639 10.1644 10.1644 11.9965 11.9965 13.0493 13.0493 14.5673 14.5673 k = 0.0000 0.4280 0.3368 ( 1757 PWs) bands (ev): -15.3921 -15.3921 -4.9969 -4.9969 -4.9011 -4.9011 -2.8544 -2.8544 -2.7811 -2.7811 -2.6780 -2.6780 1.0354 1.0354 2.6536 2.6536 3.0268 3.0268 4.7185 4.7185 10.1951 10.1951 12.0327 12.0327 13.0839 13.0839 14.6096 14.6096 k = 0.0000 0.4178 0.3288 ( 1757 PWs) bands (ev): -15.3929 -15.3929 -4.9976 -4.9976 -4.9067 -4.9067 -2.8544 -2.8544 -2.7887 -2.7887 -2.6851 -2.6851 0.9921 0.9921 2.6692 2.6692 3.0373 3.0373 4.7662 4.7662 10.2322 10.2322 12.0722 12.0722 13.1209 13.1209 14.6543 14.6543 k = 0.0000 0.4076 0.3208 ( 1753 PWs) bands (ev): -15.3938 -15.3938 -4.9983 -4.9983 -4.9121 -4.9121 -2.8545 -2.8545 -2.7961 -2.7961 -2.6921 -2.6921 0.9508 0.9508 2.6849 2.6849 3.0479 3.0479 4.8065 4.8065 10.2760 10.2760 12.1152 12.1152 13.1604 13.1604 14.7013 14.7013 k = 0.0000 0.3974 0.3128 ( 1751 PWs) bands (ev): -15.3948 -15.3948 -4.9991 -4.9991 -4.9174 -4.9174 -2.8546 -2.8546 -2.8031 -2.8031 -2.6990 -2.6990 0.9116 0.9116 2.7008 2.7008 3.0584 3.0584 4.8388 4.8388 10.3269 10.3269 12.1618 12.1618 13.2025 13.2025 14.7507 14.7507 k = 0.0000 0.3872 0.3048 ( 1751 PWs) bands (ev): -15.3959 -15.3959 -4.9999 -4.9999 -4.9225 -4.9225 -2.8548 -2.8548 -2.8098 -2.8098 -2.7059 -2.7059 0.8744 0.8744 2.7168 2.7168 3.0690 3.0690 4.8629 4.8629 10.3848 10.3848 12.2125 12.2125 13.2471 13.2471 14.8026 14.8026 k = 0.0000 0.3770 0.2967 ( 1755 PWs) bands (ev): -15.3971 -15.3971 -5.0007 -5.0007 -4.9275 -4.9275 -2.8551 -2.8551 -2.8159 -2.8159 -2.7127 -2.7127 0.8393 0.8393 2.7328 2.7328 3.0794 3.0794 4.8785 4.8785 10.4499 10.4499 12.2673 12.2673 13.2943 13.2943 14.8568 14.8568 k = 0.0000 0.3669 0.2887 ( 1755 PWs) bands (ev): -15.3985 -15.3985 -5.0015 -5.0015 -4.9322 -4.9322 -2.8555 -2.8555 -2.8214 -2.8214 -2.7193 -2.7193 0.8064 0.8064 2.7487 2.7487 3.0896 3.0896 4.8854 4.8854 10.5219 10.5219 12.3266 12.3266 13.3443 13.3443 14.9134 14.9134 k = 0.0000 0.3567 0.2807 ( 1759 PWs) bands (ev): -15.4000 -15.4000 -5.0023 -5.0023 -4.9366 -4.9366 -2.8562 -2.8562 -2.8261 -2.8261 -2.7259 -2.7259 0.7756 0.7756 2.7645 2.7645 3.0996 3.0996 4.8837 4.8837 10.6005 10.6005 12.3907 12.3907 13.3971 13.3971 14.9725 14.9725 k = 0.0000 0.3465 0.2727 ( 1759 PWs) bands (ev): -15.4015 -15.4015 -5.0031 -5.0031 -4.9408 -4.9408 -2.8570 -2.8570 -2.8301 -2.8301 -2.7323 -2.7323 0.7471 0.7471 2.7802 2.7802 3.1094 3.1094 4.8735 4.8735 10.6853 10.6853 12.4599 12.4599 13.4526 13.4526 15.0340 15.0340 k = 0.0000 0.3363 0.2647 ( 1757 PWs) bands (ev): -15.4032 -15.4032 -5.0039 -5.0039 -4.9447 -4.9447 -2.8580 -2.8580 -2.8332 -2.8332 -2.7385 -2.7385 0.7208 0.7208 2.7957 2.7957 3.1189 3.1189 4.8550 4.8550 10.7757 10.7757 12.5345 12.5345 13.5111 13.5111 15.0980 15.0980 k = 0.0000 0.3261 0.2566 ( 1757 PWs) bands (ev): -15.4051 -15.4051 -5.0046 -5.0046 -4.9483 -4.9483 -2.8592 -2.8592 -2.8356 -2.8356 -2.7445 -2.7445 0.6968 0.6968 2.8108 2.8108 3.1281 3.1281 4.8286 4.8286 10.8711 10.8711 12.6149 12.6149 13.5726 13.5726 15.1645 15.1645 k = 0.0000 0.3159 0.2486 ( 1761 PWs) bands (ev): -15.4070 -15.4070 -5.0053 -5.0053 -4.9517 -4.9517 -2.8605 -2.8605 -2.8372 -2.8372 -2.7504 -2.7504 0.6750 0.6750 2.8257 2.8257 3.1370 3.1370 4.7946 4.7946 10.9706 10.9706 12.7013 12.7013 13.6371 13.6371 15.2334 15.2334 k = 0.0000 0.3057 0.2406 ( 1757 PWs) bands (ev): -15.4090 -15.4090 -5.0060 -5.0060 -4.9547 -4.9547 -2.8617 -2.8617 -2.8381 -2.8381 -2.7560 -2.7560 0.6555 0.6555 2.8402 2.8402 3.1454 3.1454 4.7534 4.7534 11.0735 11.0735 12.7941 12.7941 13.7046 13.7046 15.3048 15.3048 k = 0.0000 0.2955 0.2326 ( 1759 PWs) bands (ev): -15.4112 -15.4112 -5.0066 -5.0066 -4.9574 -4.9574 -2.8627 -2.8627 -2.8386 -2.8386 -2.7614 -2.7614 0.6383 0.6383 2.8543 2.8543 3.1535 3.1535 4.7056 4.7056 11.1790 11.1790 12.8935 12.8935 13.7753 13.7753 15.3787 15.3787 k = 0.0000 0.2853 0.2246 ( 1759 PWs) bands (ev): -15.4134 -15.4134 -5.0071 -5.0071 -4.9599 -4.9599 -2.8634 -2.8634 -2.8387 -2.8387 -2.7665 -2.7665 0.6234 0.6234 2.8680 2.8680 3.1612 3.1612 4.6517 4.6517 11.2861 11.2861 12.9996 12.9996 13.8493 13.8493 15.4551 15.4551 k = 0.0000 0.2751 0.2165 ( 1759 PWs) bands (ev): -15.4157 -15.4157 -5.0076 -5.0076 -4.9621 -4.9621 -2.8638 -2.8638 -2.8386 -2.8386 -2.7713 -2.7713 0.6109 0.6109 2.8812 2.8812 3.1684 3.1684 4.5922 4.5922 11.3941 11.3941 13.1126 13.1126 13.9266 13.9266 15.5341 15.5341 k = 0.0000 0.2650 0.2085 ( 1759 PWs) bands (ev): -15.4181 -15.4181 -5.0080 -5.0080 -4.9640 -4.9640 -2.8639 -2.8639 -2.8381 -2.8381 -2.7758 -2.7758 0.6007 0.6007 2.8939 2.8939 3.1752 3.1752 4.5277 4.5277 11.5023 11.5023 13.2324 13.2324 14.0073 14.0073 15.6156 15.6156 k = 0.0000 0.2548 0.2005 ( 1755 PWs) bands (ev): -15.4206 -15.4206 -5.0084 -5.0084 -4.9656 -4.9656 -2.8637 -2.8637 -2.8375 -2.8375 -2.7799 -2.7799 0.5929 0.5929 2.9061 2.9061 3.1816 3.1816 4.4588 4.4588 11.6100 11.6100 13.3587 13.3587 14.0916 14.0916 15.6995 15.6995 k = 0.0000 0.2446 0.1925 ( 1755 PWs) bands (ev): -15.4231 -15.4231 -5.0086 -5.0086 -4.9670 -4.9670 -2.8632 -2.8632 -2.8367 -2.8367 -2.7835 -2.7835 0.5874 0.5874 2.9178 2.9178 3.1875 3.1875 4.3859 4.3859 11.7168 11.7168 13.4911 13.4911 14.1797 14.1797 15.7861 15.7861 k = 0.0000 0.2344 0.1845 ( 1751 PWs) bands (ev): -15.4257 -15.4257 -5.0088 -5.0088 -4.9682 -4.9682 -2.8625 -2.8625 -2.8358 -2.8358 -2.7866 -2.7866 0.5843 0.5843 2.9289 2.9289 3.1930 3.1930 4.3096 4.3096 11.8221 11.8221 13.6290 13.6290 14.2720 14.2720 15.8751 15.8751 k = 0.0000 0.2242 0.1764 ( 1755 PWs) bands (ev): -15.4283 -15.4283 -5.0090 -5.0090 -4.9691 -4.9691 -2.8617 -2.8617 -2.8348 -2.8348 -2.7891 -2.7891 0.5836 0.5836 2.9395 2.9395 3.1980 3.1980 4.2304 4.2304 11.9256 11.9256 13.7715 13.7715 14.3687 14.3687 15.9667 15.9667 k = 0.0000 0.2140 0.1684 ( 1753 PWs) bands (ev): -15.4309 -15.4309 -5.0091 -5.0091 -4.9698 -4.9698 -2.8610 -2.8610 -2.8339 -2.8339 -2.7907 -2.7907 0.5851 0.5851 2.9495 2.9495 3.2026 3.2026 4.1488 4.1488 12.0272 12.0272 13.9174 13.9174 14.4705 14.4705 16.0609 16.0609 k = 0.0000 0.2038 0.1604 ( 1753 PWs) bands (ev): -15.4335 -15.4335 -5.0092 -5.0092 -4.9703 -4.9703 -2.8603 -2.8603 -2.8331 -2.8331 -2.7915 -2.7915 0.5890 0.5890 2.9589 2.9589 3.2067 3.2067 4.0655 4.0655 12.1266 12.1266 14.0651 14.0651 14.5781 14.5781 16.1575 16.1575 k = 0.0000 0.1936 0.1524 ( 1749 PWs) bands (ev): -15.4362 -15.4362 -5.0093 -5.0093 -4.9706 -4.9706 -2.8597 -2.8597 -2.8325 -2.8325 -2.7912 -2.7912 0.5952 0.5952 2.9678 2.9678 3.2105 3.2105 3.9808 3.9808 12.2236 12.2236 14.2130 14.2130 14.6924 14.6924 16.2567 16.2567 k = 0.0000 0.1834 0.1444 ( 1747 PWs) bands (ev): -15.4388 -15.4388 -5.0094 -5.0094 -4.9707 -4.9707 -2.8593 -2.8593 -2.8323 -2.8323 -2.7898 -2.7898 0.6035 0.6035 2.9761 2.9761 3.2139 3.2139 3.8953 3.8953 12.3183 12.3183 14.3590 14.3590 14.8146 14.8146 16.3584 16.3584 k = 0.0000 0.1732 0.1363 ( 1747 PWs) bands (ev): -15.4413 -15.4413 -5.0094 -5.0094 -4.9706 -4.9706 -2.8592 -2.8592 -2.8323 -2.8323 -2.7876 -2.7876 0.6140 0.6140 2.9837 2.9837 3.2169 3.2169 3.8095 3.8095 12.4104 12.4104 14.5012 14.5012 14.9455 14.9455 16.4626 16.4626 k = 0.0000 0.1630 0.1283 ( 1747 PWs) bands (ev): -15.4438 -15.4438 -5.0095 -5.0095 -4.9704 -4.9704 -2.8592 -2.8592 -2.8324 -2.8324 -2.7844 -2.7844 0.6265 0.6265 2.9908 2.9908 3.2195 3.2195 3.7239 3.7239 12.4999 12.4999 14.6381 14.6381 15.0854 15.0854 16.5692 16.5692 k = 0.0000 0.1529 0.1203 ( 1751 PWs) bands (ev): -15.4463 -15.4463 -5.0096 -5.0096 -4.9701 -4.9701 -2.8596 -2.8596 -2.8328 -2.8328 -2.7806 -2.7806 0.6410 0.6410 2.9973 2.9973 3.2218 3.2218 3.6391 3.6391 12.5865 12.5865 14.7691 14.7691 15.2339 15.2339 16.6782 16.6782 k = 0.0000 0.1427 0.1123 ( 1749 PWs) bands (ev): -15.4487 -15.4487 -5.0097 -5.0097 -4.9696 -4.9696 -2.8601 -2.8601 -2.8331 -2.8331 -2.7763 -2.7763 0.6571 0.6571 3.0031 3.0031 3.2237 3.2237 3.5555 3.5555 12.6701 12.6701 14.8942 14.8942 15.3896 15.3896 16.7896 16.7896 k = 0.0000 0.1325 0.1043 ( 1745 PWs) bands (ev): -15.4510 -15.4510 -5.0097 -5.0097 -4.9691 -4.9691 -2.8607 -2.8607 -2.8334 -2.8334 -2.7716 -2.7716 0.6749 0.6749 3.0083 3.0083 3.2253 3.2253 3.4739 3.4739 12.7505 12.7505 15.0140 15.0140 15.5507 15.5507 16.9032 16.9032 k = 0.0000 0.1223 0.0962 ( 1745 PWs) bands (ev): -15.4531 -15.4531 -5.0098 -5.0098 -4.9685 -4.9685 -2.8615 -2.8615 -2.8336 -2.8336 -2.7667 -2.7667 0.6939 0.6939 3.0128 3.0128 3.2263 3.2263 3.3950 3.3950 12.8274 12.8274 15.1289 15.1289 15.7148 15.7148 17.0189 17.0189 k = 0.0000 0.1121 0.0882 ( 1749 PWs) bands (ev): -15.4552 -15.4552 -5.0100 -5.0100 -4.9678 -4.9678 -2.8624 -2.8624 -2.8338 -2.8338 -2.7619 -2.7619 0.7140 0.7140 3.0163 3.0163 3.2264 3.2264 3.3200 3.3200 12.9004 12.9004 15.2395 15.2395 15.8802 15.8802 17.1366 17.1366 k = 0.0000 0.1019 0.0802 ( 1745 PWs) bands (ev): -15.4571 -15.4571 -5.0100 -5.0100 -4.9671 -4.9671 -2.8634 -2.8634 -2.8339 -2.8339 -2.7570 -2.7570 0.7348 0.7348 3.0186 3.0186 3.2204 3.2204 3.2551 3.2551 12.9693 12.9693 15.3457 15.3457 16.0447 16.0447 17.2561 17.2561 k = 0.0000 0.0917 0.0722 ( 1741 PWs) bands (ev): -15.4589 -15.4589 -5.0101 -5.0101 -4.9664 -4.9664 -2.8643 -2.8643 -2.8340 -2.8340 -2.7523 -2.7523 0.7559 0.7559 3.0188 3.0188 3.1746 3.1746 3.2355 3.2355 13.0335 13.0335 15.4473 15.4473 16.2064 16.2064 17.3771 17.3771 k = 0.0000 0.0815 0.0642 ( 1741 PWs) bands (ev): -15.4605 -15.4605 -5.0103 -5.0103 -4.9657 -4.9657 -2.8652 -2.8652 -2.8340 -2.8340 -2.7479 -2.7479 0.7770 0.7770 3.0142 3.0142 3.1194 3.1194 3.2341 3.2341 13.0926 13.0926 15.5436 15.5436 16.3635 16.3635 17.4991 17.4991 k = 0.0000 0.0713 0.0561 ( 1737 PWs) bands (ev): -15.4620 -15.4620 -5.0103 -5.0103 -4.9651 -4.9651 -2.8660 -2.8660 -2.8340 -2.8340 -2.7438 -2.7438 0.7974 0.7974 2.9977 2.9977 3.0796 3.0796 3.2340 3.2340 13.1463 13.1463 15.6338 15.6338 16.5140 16.5140 17.6215 17.6215 k = 0.0000 0.0611 0.0481 ( 1739 PWs) bands (ev): -15.4633 -15.4633 -5.0104 -5.0104 -4.9645 -4.9645 -2.8668 -2.8668 -2.8340 -2.8340 -2.7401 -2.7401 0.8168 0.8168 2.9645 2.9645 3.0616 3.0616 3.2342 3.2342 13.1939 13.1939 15.7167 15.7167 16.6554 16.6554 17.7433 17.7433 k = 0.0000 0.0510 0.0401 ( 1743 PWs) bands (ev): -15.4644 -15.4644 -5.0106 -5.0106 -4.9640 -4.9640 -2.8675 -2.8675 -2.8340 -2.8340 -2.7369 -2.7369 0.8344 0.8344 2.9254 2.9254 3.0558 3.0558 3.2344 3.2344 13.2352 13.2352 15.7909 15.7909 16.7852 16.7852 17.8629 17.8629 k = 0.0000 0.0408 0.0321 ( 1743 PWs) bands (ev): -15.4653 -15.4653 -5.0106 -5.0106 -4.9636 -4.9636 -2.8681 -2.8681 -2.8339 -2.8339 -2.7342 -2.7342 0.8499 0.8499 2.8892 2.8892 3.0540 3.0540 3.2346 3.2346 13.2696 13.2696 15.8547 15.8547 16.9002 16.9002 17.9779 17.9779 k = 0.0000 0.0306 0.0241 ( 1743 PWs) bands (ev): -15.4660 -15.4660 -5.0107 -5.0107 -4.9632 -4.9632 -2.8686 -2.8686 -2.8339 -2.8339 -2.7320 -2.7320 0.8626 0.8626 2.8594 2.8594 3.0535 3.0535 3.2348 3.2348 13.2969 13.2969 15.9067 15.9067 16.9965 16.9965 18.0840 18.0840 k = 0.0000 0.0204 0.0160 ( 1739 PWs) bands (ev): -15.4665 -15.4665 -5.0107 -5.0107 -4.9629 -4.9629 -2.8689 -2.8689 -2.8339 -2.8339 -2.7305 -2.7305 0.8720 0.8720 2.8373 2.8373 3.0534 3.0534 3.2349 3.2349 13.3165 13.3165 15.9452 15.9452 17.0699 17.0699 18.1742 18.1742 k = 0.0000 0.0102 0.0080 ( 1737 PWs) bands (ev): -15.4668 -15.4668 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8339 -2.8339 -2.7295 -2.7295 0.8778 0.8778 2.8238 2.8238 3.0535 3.0535 3.2350 3.2350 13.3285 13.3285 15.9688 15.9688 17.1161 17.1161 18.2374 18.2374 k = 0.0000 0.0000 0.0000 ( 1733 PWs) bands (ev): -15.4669 -15.4669 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8338 -2.8338 -2.7292 -2.7292 0.8798 0.8798 2.8192 2.8192 3.0536 3.0536 3.2350 3.2350 13.3324 13.3324 15.9768 15.9768 17.1320 17.1320 18.2606 18.2606 k = 0.0000 0.0000 0.0000 ( 1733 PWs) bands (ev): -15.4669 -15.4669 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8338 -2.8338 -2.7292 -2.7292 0.8798 0.8798 2.8192 2.8192 3.0536 3.0536 3.2350 3.2350 13.3324 13.3324 15.9768 15.9768 17.1320 17.1320 18.2606 18.2606 k = 0.0096 0.0054-0.0068 ( 1737 PWs) bands (ev): -15.4668 -15.4668 -5.0107 -5.0107 -4.9627 -4.9627 -2.8691 -2.8691 -2.8338 -2.8338 -2.7292 -2.7292 0.8799 0.8799 2.8190 2.8190 3.0534 3.0534 3.2364 3.2364 13.3242 13.3242 15.9635 15.9635 17.1220 17.1220 18.2400 18.2400 k = 0.0192 0.0107-0.0137 ( 1733 PWs) bands (ev): -15.4667 -15.4667 -5.0106 -5.0106 -4.9626 -4.9626 -2.8689 -2.8689 -2.8338 -2.8338 -2.7290 -2.7290 0.8803 0.8803 2.8185 2.8185 3.0531 3.0531 3.2407 3.2407 13.2994 13.2994 15.9248 15.9248 17.0930 17.0930 18.1850 18.1850 k = 0.0288 0.0161-0.0205 ( 1727 PWs) bands (ev): -15.4664 -15.4664 -5.0103 -5.0103 -4.9625 -4.9625 -2.8686 -2.8686 -2.8338 -2.8338 -2.7288 -2.7288 0.8808 0.8808 2.8176 2.8176 3.0525 3.0525 3.2479 3.2479 13.2585 13.2585 15.8638 15.8638 17.0471 17.0471 18.1085 18.1085 k = 0.0385 0.0215-0.0273 ( 1727 PWs) bands (ev): -15.4661 -15.4661 -5.0100 -5.0100 -4.9623 -4.9623 -2.8683 -2.8683 -2.8337 -2.8337 -2.7285 -2.7285 0.8817 0.8817 2.8164 2.8164 3.0517 3.0517 3.2577 3.2577 13.2020 13.2020 15.7849 15.7849 16.9872 16.9872 18.0206 18.0206 k = 0.0481 0.0269-0.0341 ( 1735 PWs) bands (ev): -15.4656 -15.4656 -5.0097 -5.0097 -4.9622 -4.9622 -2.8679 -2.8679 -2.8337 -2.8337 -2.7281 -2.7281 0.8828 0.8828 2.8148 2.8148 3.0506 3.0506 3.2703 3.2703 13.1306 13.1306 15.6927 15.6927 16.9163 16.9163 17.9270 17.9270 k = 0.0577 0.0322-0.0410 ( 1739 PWs) bands (ev): -15.4651 -15.4651 -5.0093 -5.0093 -4.9620 -4.9620 -2.8674 -2.8674 -2.8337 -2.8337 -2.7276 -2.7276 0.8844 0.8844 2.8128 2.8128 3.0492 3.0492 3.2853 3.2853 13.0452 13.0452 15.5915 15.5915 16.8371 16.8371 17.8309 17.8309 k = 0.0673 0.0376-0.0478 ( 1739 PWs) bands (ev): -15.4644 -15.4644 -5.0087 -5.0087 -4.9617 -4.9617 -2.8667 -2.8667 -2.8336 -2.8336 -2.7270 -2.7270 0.8864 0.8864 2.8105 2.8105 3.0476 3.0476 3.3028 3.3028 12.9468 12.9468 15.4846 15.4846 16.7516 16.7516 17.7340 17.7340 k = 0.0769 0.0430-0.0546 ( 1733 PWs) bands (ev): -15.4637 -15.4637 -5.0081 -5.0081 -4.9614 -4.9614 -2.8660 -2.8660 -2.8334 -2.8334 -2.7262 -2.7262 0.8889 0.8889 2.8078 2.8078 3.0457 3.0457 3.3224 3.3224 12.8367 12.8367 15.3750 15.3750 16.6619 16.6619 17.6376 17.6376 k = 0.0865 0.0484-0.0615 ( 1737 PWs) bands (ev): -15.4629 -15.4629 -5.0074 -5.0074 -4.9611 -4.9611 -2.8652 -2.8652 -2.8332 -2.8332 -2.7254 -2.7254 0.8920 0.8920 2.8048 2.8048 3.0436 3.0436 3.3440 3.3440 12.7160 12.7160 15.2645 15.2645 16.5692 16.5692 17.5422 17.5422 k = 0.0962 0.0537-0.0683 ( 1737 PWs) bands (ev): -15.4620 -15.4620 -5.0066 -5.0066 -4.9607 -4.9607 -2.8644 -2.8644 -2.8329 -2.8329 -2.7245 -2.7245 0.8958 0.8958 2.8015 2.8015 3.0411 3.0411 3.3675 3.3675 12.5861 12.5861 15.1547 15.1547 16.4747 16.4747 17.4482 17.4482 k = 0.1058 0.0591-0.0751 ( 1737 PWs) bands (ev): -15.4610 -15.4610 -5.0057 -5.0057 -4.9603 -4.9603 -2.8635 -2.8635 -2.8326 -2.8326 -2.7234 -2.7234 0.9003 0.9003 2.7978 2.7978 3.0385 3.0385 3.3924 3.3924 12.4485 12.4485 15.0467 15.0467 16.3794 16.3794 17.3560 17.3560 k = 0.1154 0.0645-0.0819 ( 1737 PWs) bands (ev): -15.4600 -15.4600 -5.0048 -5.0048 -4.9598 -4.9598 -2.8625 -2.8625 -2.8321 -2.8321 -2.7222 -2.7222 0.9058 0.9058 2.7937 2.7937 3.0355 3.0355 3.4186 3.4186 12.3044 12.3044 14.9409 14.9409 16.2839 16.2839 17.2657 17.2657 k = 0.1250 0.0699-0.0888 ( 1737 PWs) bands (ev): -15.4589 -15.4589 -5.0037 -5.0037 -4.9593 -4.9593 -2.8615 -2.8615 -2.8316 -2.8316 -2.7210 -2.7210 0.9121 0.9121 2.7894 2.7894 3.0323 3.0323 3.4457 3.4457 12.1552 12.1552 14.8379 14.8379 16.1888 16.1888 17.1775 17.1775 k = 0.1346 0.0752-0.0956 ( 1729 PWs) bands (ev): -15.4577 -15.4577 -5.0026 -5.0026 -4.9587 -4.9587 -2.8604 -2.8604 -2.8309 -2.8309 -2.7195 -2.7195 0.9195 0.9195 2.7847 2.7847 3.0289 3.0289 3.4736 3.4736 12.0021 12.0021 14.7379 14.7379 16.0946 16.0946 17.0914 17.0914 k = 0.1442 0.0806-0.1024 ( 1733 PWs) bands (ev): -15.4564 -15.4564 -5.0014 -5.0014 -4.9581 -4.9581 -2.8593 -2.8593 -2.8301 -2.8301 -2.7179 -2.7179 0.9280 0.9280 2.7797 2.7797 3.0252 3.0252 3.5018 3.5018 11.8462 11.8462 14.6409 14.6409 16.0016 16.0016 17.0075 17.0075 k = 0.1538 0.0860-0.1093 ( 1737 PWs) bands (ev): -15.4551 -15.4551 -5.0002 -5.0002 -4.9574 -4.9574 -2.8583 -2.8583 -2.8291 -2.8291 -2.7163 -2.7163 0.9377 0.9377 2.7744 2.7744 3.0213 3.0213 3.5300 3.5300 11.6887 11.6887 14.5471 14.5471 15.9102 15.9102 16.9259 16.9259 k = 0.1635 0.0914-0.1161 ( 1741 PWs) bands (ev): -15.4538 -15.4538 -4.9989 -4.9989 -4.9567 -4.9567 -2.8572 -2.8572 -2.8280 -2.8280 -2.7145 -2.7145 0.9487 0.9487 2.7688 2.7688 3.0172 3.0172 3.5579 3.5579 11.5305 11.5305 14.4564 14.4564 15.8204 15.8204 16.8466 16.8466 k = 0.1731 0.0967-0.1229 ( 1741 PWs) bands (ev): -15.4524 -15.4524 -4.9975 -4.9975 -4.9559 -4.9559 -2.8561 -2.8561 -2.8268 -2.8268 -2.7125 -2.7125 0.9610 0.9610 2.7630 2.7630 3.0128 3.0128 3.5852 3.5852 11.3726 11.3726 14.3688 14.3688 15.7327 15.7327 16.7697 16.7697 k = 0.1827 0.1021-0.1298 ( 1741 PWs) bands (ev): -15.4510 -15.4510 -4.9960 -4.9960 -4.9551 -4.9551 -2.8550 -2.8550 -2.8253 -2.8253 -2.7104 -2.7104 0.9748 0.9748 2.7569 2.7569 3.0083 3.0083 3.6115 3.6115 11.2158 11.2158 14.2843 14.2843 15.6470 15.6470 16.6950 16.6950 k = 0.1923 0.1075-0.1366 ( 1737 PWs) bands (ev): -15.4496 -15.4496 -4.9945 -4.9945 -4.9541 -4.9541 -2.8538 -2.8538 -2.8238 -2.8238 -2.7082 -2.7082 0.9900 0.9900 2.7506 2.7506 3.0035 3.0035 3.6364 3.6364 11.0609 11.0609 14.2027 14.2027 15.5636 15.5636 16.6227 16.6227 k = 0.2019 0.1129-0.1434 ( 1737 PWs) bands (ev): -15.4481 -15.4481 -4.9930 -4.9930 -4.9531 -4.9531 -2.8527 -2.8527 -2.8220 -2.8220 -2.7058 -2.7058 1.0067 1.0067 2.7441 2.7441 2.9986 2.9986 3.6597 3.6597 10.9085 10.9085 14.1242 14.1242 15.4825 15.4825 16.5528 16.5528 k = 0.2115 0.1182-0.1502 ( 1737 PWs) bands (ev): -15.4466 -15.4466 -4.9915 -4.9915 -4.9521 -4.9521 -2.8517 -2.8517 -2.8200 -2.8200 -2.7034 -2.7034 1.0251 1.0251 2.7374 2.7374 2.9935 2.9935 3.6810 3.6810 10.7593 10.7593 14.0485 14.0485 15.4039 15.4039 16.4851 16.4851 k = 0.2212 0.1236-0.1571 ( 1737 PWs) bands (ev): -15.4451 -15.4451 -4.9899 -4.9899 -4.9509 -4.9509 -2.8506 -2.8506 -2.8179 -2.8179 -2.7007 -2.7007 1.0451 1.0451 2.7305 2.7305 2.9883 2.9883 3.6998 3.6998 10.6139 10.6139 13.9758 13.9758 15.3277 15.3277 16.4199 16.4199 k = 0.2308 0.1290-0.1639 ( 1733 PWs) bands (ev): -15.4436 -15.4436 -4.9883 -4.9883 -4.9496 -4.9496 -2.8496 -2.8496 -2.8156 -2.8156 -2.6980 -2.6980 1.0667 1.0667 2.7235 2.7235 2.9830 2.9830 3.7159 3.7159 10.4728 10.4728 13.9059 13.9059 15.2541 15.2541 16.3570 16.3570 k = 0.2404 0.1344-0.1707 ( 1733 PWs) bands (ev): -15.4421 -15.4421 -4.9868 -4.9868 -4.9483 -4.9483 -2.8486 -2.8486 -2.8131 -2.8131 -2.6952 -2.6952 1.0901 1.0901 2.7163 2.7163 2.9775 2.9775 3.7290 3.7290 10.3365 10.3365 13.8388 13.8388 15.1832 15.1832 16.2963 16.2963 k = 0.2500 0.1397-0.1776 ( 1733 PWs) bands (ev): -15.4406 -15.4406 -4.9853 -4.9853 -4.9469 -4.9469 -2.8477 -2.8477 -2.8105 -2.8105 -2.6923 -2.6923 1.1153 1.1153 2.7091 2.7091 2.9720 2.9720 3.7387 3.7387 10.2053 10.2053 13.7745 13.7745 15.1148 15.1148 16.2381 16.2381 k = 0.2596 0.1451-0.1844 ( 1733 PWs) bands (ev): -15.4391 -15.4391 -4.9838 -4.9838 -4.9453 -4.9453 -2.8468 -2.8468 -2.8077 -2.8077 -2.6893 -2.6893 1.1422 1.1422 2.7018 2.7018 2.9664 2.9664 3.7448 3.7448 10.0797 10.0797 13.7129 13.7129 15.0491 15.0491 16.1821 16.1821 k = 0.2692 0.1505-0.1912 ( 1729 PWs) bands (ev): -15.4377 -15.4377 -4.9823 -4.9823 -4.9437 -4.9437 -2.8459 -2.8459 -2.8047 -2.8047 -2.6862 -2.6862 1.1709 1.1709 2.6944 2.6944 2.9607 2.9607 3.7470 3.7470 9.9600 9.9600 13.6540 13.6540 14.9861 14.9861 16.1285 16.1285 k = 0.2788 0.1559-0.1980 ( 1729 PWs) bands (ev): -15.4362 -15.4362 -4.9809 -4.9809 -4.9419 -4.9419 -2.8451 -2.8451 -2.8016 -2.8016 -2.6831 -2.6831 1.2014 1.2014 2.6870 2.6870 2.9550 2.9550 3.7451 3.7451 9.8465 9.8465 13.5978 13.5978 14.9258 14.9258 16.0771 16.0771 k = 0.2885 0.1612-0.2049 ( 1733 PWs) bands (ev): -15.4348 -15.4348 -4.9796 -4.9796 -4.9401 -4.9401 -2.8444 -2.8444 -2.7984 -2.7984 -2.6799 -2.6799 1.2337 1.2337 2.6797 2.6797 2.9493 2.9493 3.7389 3.7389 9.7393 9.7393 13.5443 13.5443 14.8682 14.8682 16.0280 16.0280 k = 0.2981 0.1666-0.2117 ( 1733 PWs) bands (ev): -15.4335 -15.4335 -4.9784 -4.9784 -4.9382 -4.9382 -2.8437 -2.8437 -2.7952 -2.7952 -2.6767 -2.6767 1.2678 1.2678 2.6724 2.6724 2.9437 2.9437 3.7283 3.7283 9.6386 9.6386 13.4934 13.4934 14.8133 14.8133 15.9813 15.9813 k = 0.3077 0.1720-0.2185 ( 1733 PWs) bands (ev): -15.4321 -15.4321 -4.9772 -4.9772 -4.9362 -4.9362 -2.8430 -2.8430 -2.7918 -2.7918 -2.6735 -2.6735 1.3037 1.3037 2.6652 2.6652 2.9380 2.9380 3.7131 3.7131 9.5445 9.5445 13.4451 13.4451 14.7611 14.7611 15.9367 15.9367 k = 0.3173 0.1774-0.2254 ( 1725 PWs) bands (ev): -15.4308 -15.4308 -4.9761 -4.9761 -4.9341 -4.9341 -2.8423 -2.8423 -2.7883 -2.7883 -2.6702 -2.6702 1.3414 1.3414 2.6581 2.6581 2.9325 2.9325 3.6935 3.6935 9.4571 9.4571 13.3994 13.3994 14.7116 14.7116 15.8944 15.8944 k = 0.3269 0.1827-0.2322 ( 1725 PWs) bands (ev): -15.4296 -15.4296 -4.9751 -4.9751 -4.9320 -4.9320 -2.8418 -2.8418 -2.7849 -2.7849 -2.6670 -2.6670 1.3808 1.3808 2.6511 2.6511 2.9270 2.9270 3.6694 3.6694 9.3763 9.3763 13.3562 13.3562 14.6647 14.6647 15.8544 15.8544 k = 0.3365 0.1881-0.2390 ( 1725 PWs) bands (ev): -15.4284 -15.4284 -4.9741 -4.9741 -4.9299 -4.9299 -2.8412 -2.8412 -2.7814 -2.7814 -2.6639 -2.6639 1.4219 1.4219 2.6443 2.6443 2.9216 2.9216 3.6410 3.6410 9.3020 9.3020 13.3156 13.3156 14.6205 14.6205 15.8166 15.8166 k = 0.3462 0.1935-0.2458 ( 1727 PWs) bands (ev): -15.4272 -15.4272 -4.9732 -4.9732 -4.9277 -4.9277 -2.8408 -2.8408 -2.7779 -2.7779 -2.6608 -2.6608 1.4647 1.4647 2.6377 2.6377 2.9164 2.9164 3.6083 3.6083 9.2341 9.2341 13.2775 13.2775 14.5790 14.5790 15.7810 15.7810 k = 0.3558 0.1989-0.2527 ( 1731 PWs) bands (ev): -15.4261 -15.4261 -4.9725 -4.9725 -4.9256 -4.9256 -2.8403 -2.8403 -2.7745 -2.7745 -2.6577 -2.6577 1.5089 1.5089 2.6313 2.6313 2.9114 2.9114 3.5717 3.5717 9.1725 9.1725 13.2418 13.2418 14.5401 14.5401 15.7476 15.7476 k = 0.3654 0.2042-0.2595 ( 1733 PWs) bands (ev): -15.4251 -15.4251 -4.9718 -4.9718 -4.9235 -4.9235 -2.8399 -2.8399 -2.7712 -2.7712 -2.6548 -2.6548 1.5546 1.5546 2.6252 2.6252 2.9065 2.9065 3.5314 3.5314 9.1169 9.1169 13.2086 13.2086 14.5039 14.5039 15.7164 15.7164 k = 0.3750 0.2096-0.2663 ( 1727 PWs) bands (ev): -15.4241 -15.4241 -4.9711 -4.9711 -4.9214 -4.9214 -2.8396 -2.8396 -2.7679 -2.7679 -2.6520 -2.6520 1.6015 1.6015 2.6195 2.6195 2.9019 2.9019 3.4878 3.4878 9.0669 9.0669 13.1778 13.1778 14.4702 14.4702 15.6875 15.6875 k = 0.3846 0.2150-0.2732 ( 1723 PWs) bands (ev): -15.4232 -15.4232 -4.9704 -4.9704 -4.9194 -4.9194 -2.8392 -2.8392 -2.7648 -2.7648 -2.6493 -2.6493 1.6495 1.6495 2.6140 2.6140 2.8975 2.8975 3.4413 3.4413 9.0225 9.0225 13.1494 13.1494 14.4391 14.4391 15.6607 15.6607 k = 0.3942 0.2204-0.2800 ( 1723 PWs) bands (ev): -15.4223 -15.4223 -4.9699 -4.9699 -4.9175 -4.9175 -2.8389 -2.8389 -2.7618 -2.7618 -2.6467 -2.6467 1.6984 1.6984 2.6089 2.6089 2.8933 2.8933 3.3925 3.3925 8.9831 8.9831 13.1233 13.1233 14.4106 14.4106 15.6361 15.6361 k = 0.4038 0.2257-0.2868 ( 1727 PWs) bands (ev): -15.4216 -15.4216 -4.9694 -4.9694 -4.9157 -4.9157 -2.8386 -2.8386 -2.7590 -2.7590 -2.6443 -2.6443 1.7478 1.7478 2.6042 2.6042 2.8895 2.8895 3.3419 3.3419 8.9486 8.9486 13.0996 13.0996 14.3847 14.3847 15.6136 15.6136 k = 0.4135 0.2311-0.2936 ( 1723 PWs) bands (ev): -15.4208 -15.4208 -4.9690 -4.9690 -4.9139 -4.9139 -2.8384 -2.8384 -2.7564 -2.7564 -2.6421 -2.6421 1.7974 1.7974 2.5999 2.5999 2.8859 2.8859 3.2901 3.2901 8.9185 8.9185 13.0783 13.0783 14.3612 14.3612 15.5933 15.5933 k = 0.4231 0.2365-0.3005 ( 1721 PWs) bands (ev): -15.4202 -15.4202 -4.9686 -4.9686 -4.9123 -4.9123 -2.8381 -2.8381 -2.7539 -2.7539 -2.6400 -2.6400 1.8467 1.8467 2.5961 2.5961 2.8827 2.8827 3.2379 3.2379 8.8926 8.8926 13.0592 13.0592 14.3403 14.3403 15.5752 15.5752 k = 0.4327 0.2419-0.3073 ( 1725 PWs) bands (ev): -15.4196 -15.4196 -4.9683 -4.9683 -4.9109 -4.9109 -2.8380 -2.8380 -2.7518 -2.7518 -2.6382 -2.6382 1.8950 1.8950 2.5928 2.5928 2.8798 2.8798 3.1862 3.1862 8.8705 8.8705 13.0424 13.0424 14.3219 14.3219 15.5592 15.5592 k = 0.4423 0.2472-0.3141 ( 1729 PWs) bands (ev): -15.4191 -15.4191 -4.9680 -4.9680 -4.9097 -4.9097 -2.8378 -2.8378 -2.7499 -2.7499 -2.6366 -2.6366 1.9415 1.9415 2.5899 2.5899 2.8773 2.8773 3.1362 3.1362 8.8520 8.8520 13.0279 13.0279 14.3060 14.3060 15.5454 15.5454 k = 0.4519 0.2526-0.3210 ( 1731 PWs) bands (ev): -15.4187 -15.4187 -4.9678 -4.9678 -4.9086 -4.9086 -2.8377 -2.8377 -2.7482 -2.7482 -2.6353 -2.6353 1.9851 1.9851 2.5877 2.5877 2.8751 2.8751 3.0889 3.0889 8.8369 8.8369 13.0157 13.0157 14.2925 14.2925 15.5336 15.5336 k = 0.4615 0.2580-0.3278 ( 1729 PWs) bands (ev): -15.4184 -15.4184 -4.9676 -4.9676 -4.9077 -4.9077 -2.8376 -2.8376 -2.7469 -2.7469 -2.6341 -2.6341 2.0246 2.0246 2.5859 2.5859 2.8734 2.8734 3.0461 3.0461 8.8248 8.8248 13.0057 13.0057 14.2815 14.2815 15.5241 15.5241 k = 0.4712 0.2633-0.3346 ( 1728 PWs) bands (ev): -15.4181 -15.4181 -4.9675 -4.9675 -4.9070 -4.9070 -2.8375 -2.8375 -2.7458 -2.7458 -2.6332 -2.6332 2.0582 2.0582 2.5847 2.5847 2.8720 2.8720 3.0095 3.0095 8.8156 8.8156 12.9979 12.9979 14.2730 14.2730 15.5166 15.5166 k = 0.4808 0.2687-0.3414 ( 1724 PWs) bands (ev): -15.4179 -15.4179 -4.9673 -4.9673 -4.9064 -4.9064 -2.8374 -2.8374 -2.7450 -2.7450 -2.6325 -2.6325 2.0842 2.0842 2.5840 2.5840 2.8711 2.8711 2.9811 2.9811 8.8091 8.8091 12.9924 12.9924 14.2669 14.2669 15.5113 15.5113 k = 0.4904 0.2741-0.3483 ( 1724 PWs) bands (ev): -15.4178 -15.4178 -4.9673 -4.9673 -4.9061 -4.9061 -2.8374 -2.8374 -2.7445 -2.7445 -2.6321 -2.6321 2.1007 2.1007 2.5836 2.5836 2.8706 2.8706 2.9631 2.9631 8.8053 8.8053 12.9891 12.9891 14.2632 14.2632 15.5081 15.5081 k = 0.5000 0.2795-0.3551 ( 1720 PWs) bands (ev): -15.4178 -15.4178 -4.9672 -4.9672 -4.9060 -4.9060 -2.8374 -2.8374 -2.7443 -2.7443 -2.6320 -2.6320 2.1063 2.1063 2.5835 2.5835 2.8704 2.8704 2.9568 2.9568 8.8040 8.8040 12.9880 12.9880 14.2620 14.2620 15.5071 15.5071 k = 0.5000 0.2795-0.3551 ( 1720 PWs) bands (ev): -15.4178 -15.4178 -4.9672 -4.9672 -4.9060 -4.9060 -2.8374 -2.8374 -2.7443 -2.7443 -2.6320 -2.6320 2.1063 2.1063 2.5835 2.5835 2.8704 2.8704 2.9568 2.9568 8.8040 8.8040 12.9880 12.9880 14.2620 14.2620 15.5071 15.5071 k = 0.5086 0.2736-0.3476 ( 1724 PWs) bands (ev): -15.4177 -15.4177 -4.9673 -4.9673 -4.9060 -4.9060 -2.8374 -2.8374 -2.7445 -2.7445 -2.6321 -2.6321 2.1071 2.1071 2.5828 2.5828 2.8298 2.8298 2.9999 2.9999 8.8047 8.8047 12.9818 12.9818 14.2480 14.2480 15.5246 15.5246 k = 0.5172 0.2677-0.3401 ( 1726 PWs) bands (ev): -15.4176 -15.4176 -4.9674 -4.9674 -4.9061 -4.9061 -2.8373 -2.8373 -2.7451 -2.7451 -2.6325 -2.6325 2.1092 2.1092 2.5803 2.5803 2.7662 2.7662 3.0710 3.0710 8.8067 8.8067 12.9634 12.9634 14.2081 14.2081 15.5751 15.5751 k = 0.5258 0.2618-0.3327 ( 1726 PWs) bands (ev): -15.4173 -15.4173 -4.9676 -4.9676 -4.9061 -4.9061 -2.8371 -2.8371 -2.7460 -2.7460 -2.6331 -2.6331 2.1128 2.1128 2.5752 2.5752 2.7030 2.7030 3.1475 3.1475 8.8100 8.8100 12.9332 12.9332 14.1474 14.1474 15.6532 15.6532 k = 0.5344 0.2559-0.3252 ( 1722 PWs) bands (ev): -15.4170 -15.4170 -4.9678 -4.9678 -4.9062 -4.9062 -2.8369 -2.8369 -2.7472 -2.7472 -2.6339 -2.6339 2.1177 2.1177 2.5642 2.5642 2.6464 2.6464 3.2268 3.2268 8.8147 8.8147 12.8920 12.8920 14.0713 14.0713 15.7533 15.7533 k = 0.5430 0.2500-0.3177 ( 1718 PWs) bands (ev): -15.4166 -15.4166 -4.9680 -4.9680 -4.9063 -4.9063 -2.8366 -2.8366 -2.7489 -2.7489 -2.6349 -2.6349 2.1241 2.1241 2.5368 2.5368 2.6073 2.6073 3.3080 3.3080 8.8208 8.8208 12.8408 12.8408 13.9845 13.9845 15.8701 15.8701 k = 0.5517 0.2441-0.3102 ( 1722 PWs) bands (ev): -15.4161 -15.4161 -4.9684 -4.9684 -4.9064 -4.9064 -2.8362 -2.8362 -2.7508 -2.7508 -2.6362 -2.6362 2.1318 2.1318 2.4898 2.4898 2.5893 2.5893 3.3907 3.3907 8.8283 8.8283 12.7806 12.7806 13.8905 13.8905 15.9998 15.9998 k = 0.5603 0.2382-0.3027 ( 1718 PWs) bands (ev): -15.4156 -15.4156 -4.9688 -4.9688 -4.9064 -4.9064 -2.8357 -2.8357 -2.7531 -2.7531 -2.6375 -2.6375 2.1407 2.1407 2.4364 2.4364 2.5793 2.5793 3.4747 3.4747 8.8371 8.8371 12.7128 12.7128 13.7915 13.7915 16.1398 16.1398 k = 0.5689 0.2323-0.2952 ( 1718 PWs) bands (ev): -15.4149 -15.4149 -4.9693 -4.9693 -4.9064 -4.9064 -2.8352 -2.8352 -2.7558 -2.7558 -2.6390 -2.6390 2.1509 2.1509 2.3829 2.3829 2.5712 2.5712 3.5596 3.5596 8.8474 8.8474 12.6384 12.6384 13.6892 13.6892 16.2881 16.2881 k = 0.5775 0.2265-0.2877 ( 1716 PWs) bands (ev): -15.4142 -15.4142 -4.9699 -4.9699 -4.9064 -4.9064 -2.8345 -2.8345 -2.7588 -2.7588 -2.6406 -2.6406 2.1621 2.1621 2.3311 2.3311 2.5634 2.5634 3.6452 3.6452 8.8590 8.8590 12.5587 12.5587 13.5846 13.5846 16.4434 16.4434 k = 0.5861 0.2206-0.2803 ( 1716 PWs) bands (ev): -15.4134 -15.4134 -4.9705 -4.9705 -4.9064 -4.9064 -2.8336 -2.8336 -2.7622 -2.7622 -2.6422 -2.6422 2.1740 2.1740 2.2819 2.2819 2.5553 2.5553 3.7311 3.7311 8.8722 8.8722 12.4749 12.4749 13.4784 13.4784 16.6046 16.6046 k = 0.5947 0.2147-0.2728 ( 1718 PWs) bands (ev): -15.4126 -15.4126 -4.9713 -4.9713 -4.9063 -4.9063 -2.8327 -2.8327 -2.7659 -2.7659 -2.6439 -2.6439 2.1851 2.1851 2.2370 2.2370 2.5467 2.5467 3.8171 3.8171 8.8868 8.8868 12.3879 12.3879 13.3713 13.3713 16.7711 16.7711 k = 0.6033 0.2088-0.2653 ( 1718 PWs) bands (ev): -15.4117 -15.4117 -4.9721 -4.9721 -4.9061 -4.9061 -2.8315 -2.8315 -2.7698 -2.7698 -2.6456 -2.6456 2.1782 2.1782 2.2136 2.2136 2.5376 2.5376 3.9029 3.9029 8.9028 8.9028 12.2988 12.2988 13.2639 13.2639 16.9422 16.9422 k = 0.6119 0.2029-0.2578 ( 1714 PWs) bands (ev): -15.4108 -15.4108 -4.9729 -4.9729 -4.9059 -4.9059 -2.8302 -2.8302 -2.7740 -2.7740 -2.6473 -2.6473 2.1413 2.1413 2.2236 2.2236 2.5278 2.5279 3.9880 3.9880 8.9204 8.9204 12.2084 12.2084 13.1566 13.1566 17.1175 17.1175 k = 0.6205 0.1970-0.2503 ( 1722 PWs) bands (ev): -15.4098 -15.4098 -4.9738 -4.9738 -4.9056 -4.9056 -2.8287 -2.8287 -2.7785 -2.7785 -2.6489 -2.6489 2.1025 2.1025 2.2390 2.2390 2.5175 2.5175 4.0722 4.0722 8.9396 8.9396 12.1175 12.1175 13.0498 13.0498 17.2967 17.2967 k = 0.6291 0.1911-0.2428 ( 1720 PWs) bands (ev): -15.4088 -15.4088 -4.9748 -4.9748 -4.9052 -4.9052 -2.8269 -2.8269 -2.7831 -2.7831 -2.6506 -2.6506 2.0656 2.0656 2.2558 2.2558 2.5066 2.5066 4.1550 4.1550 8.9603 8.9603 12.0268 12.0268 12.9441 12.9441 17.4793 17.4793 k = 0.6377 0.1852-0.2353 ( 1722 PWs) bands (ev): -15.4078 -15.4078 -4.9758 -4.9758 -4.9047 -4.9047 -2.8250 -2.8250 -2.7879 -2.7879 -2.6522 -2.6522 2.0311 2.0311 2.2734 2.2734 2.4952 2.4952 4.2360 4.2360 8.9825 8.9825 11.9371 11.9371 12.8398 12.8398 17.6652 17.6652 k = 0.6463 0.1793-0.2279 ( 1722 PWs) bands (ev): -15.4067 -15.4067 -4.9768 -4.9768 -4.9040 -4.9040 -2.8227 -2.8227 -2.7927 -2.7927 -2.6537 -2.6537 1.9990 1.9990 2.2914 2.2914 2.4835 2.4835 4.3148 4.3148 9.0064 9.0064 11.8488 11.8488 12.7375 12.7375 17.8542 17.8542 k = 0.6550 0.1734-0.2204 ( 1722 PWs) bands (ev): -15.4056 -15.4056 -4.9779 -4.9779 -4.9033 -4.9033 -2.8203 -2.8203 -2.7977 -2.7977 -2.6552 -2.6552 1.9695 1.9695 2.3096 2.3096 2.4716 2.4716 4.3909 4.3909 9.0319 9.0319 11.7626 11.7626 12.6374 12.6374 18.0461 18.0461 k = 0.6636 0.1675-0.2129 ( 1726 PWs) bands (ev): -15.4046 -15.4046 -4.9790 -4.9790 -4.9025 -4.9025 -2.8176 -2.8176 -2.8026 -2.8026 -2.6566 -2.6566 1.9426 1.9426 2.3273 2.3273 2.4600 2.4600 4.4638 4.4638 9.0590 9.0590 11.6790 11.6790 12.5401 12.5401 18.2405 18.2405 k = 0.6722 0.1617-0.2054 ( 1722 PWs) bands (ev): -15.4035 -15.4035 -4.9800 -4.9800 -4.9015 -4.9015 -2.8148 -2.8148 -2.8071 -2.8071 -2.6580 -2.6580 1.9182 1.9182 2.3437 2.3437 2.4498 2.4498 4.5331 4.5331 9.0878 9.0878 11.5985 11.5985 12.4460 12.4460 18.4373 18.4373 k = 0.6808 0.1558-0.1979 ( 1728 PWs) bands (ev): -15.4024 -15.4024 -4.9811 -4.9811 -4.9005 -4.9005 -2.8143 -2.8143 -2.8092 -2.8092 -2.6593 -2.6593 1.8964 1.8964 2.3564 2.3564 2.4428 2.4428 4.5981 4.5981 9.1182 9.1182 11.5217 11.5217 12.3553 12.3553 18.6363 18.6363 k = 0.6894 0.1499-0.1904 ( 1730 PWs) bands (ev): -15.4014 -15.4014 -4.9821 -4.9821 -4.8993 -4.8993 -2.8181 -2.8181 -2.8064 -2.8064 -2.6606 -2.6606 1.8771 1.8771 2.3623 2.3623 2.4423 2.4423 4.6584 4.6584 9.1503 9.1503 11.4490 11.4490 12.2686 12.2686 18.8369 18.8369 k = 0.6980 0.1440-0.1830 ( 1732 PWs) bands (ev): -15.4003 -15.4003 -4.9831 -4.9831 -4.8980 -4.8980 -2.8226 -2.8226 -2.8026 -2.8026 -2.6618 -2.6618 1.8603 1.8603 2.3593 2.3593 2.4505 2.4505 4.7135 4.7135 9.1841 9.1841 11.3807 11.3807 12.1861 12.1861 19.0383 19.0383 k = 0.7066 0.1381-0.1755 ( 1732 PWs) bands (ev): -15.3993 -15.3993 -4.9841 -4.9841 -4.8966 -4.8966 -2.8270 -2.8270 -2.7982 -2.7982 -2.6629 -2.6629 1.8460 1.8460 2.3494 2.3494 2.4650 2.4650 4.7629 4.7629 9.2195 9.2195 11.3172 11.3172 12.1084 12.1084 19.2383 19.2383 k = 0.7152 0.1322-0.1680 ( 1732 PWs) bands (ev): -15.3983 -15.3983 -4.9849 -4.9849 -4.8951 -4.8951 -2.8313 -2.8313 -2.7935 -2.7935 -2.6640 -2.6640 1.8341 1.8341 2.3357 2.3357 2.4829 2.4829 4.8061 4.8061 9.2566 9.2566 11.2589 11.2589 12.0357 12.0357 19.4270 19.4270 k = 0.7238 0.1263-0.1605 ( 1732 PWs) bands (ev): -15.3974 -15.3974 -4.9857 -4.9857 -4.8935 -4.8935 -2.8353 -2.8353 -2.7884 -2.7884 -2.6650 -2.6650 1.8248 1.8248 2.3199 2.3199 2.5025 2.5025 4.8425 4.8425 9.2954 9.2954 11.2059 11.2059 11.9686 11.9686 19.5243 19.5243 k = 0.7324 0.1204-0.1530 ( 1732 PWs) bands (ev): -15.3965 -15.3965 -4.9865 -4.9865 -4.8917 -4.8917 -2.8392 -2.8392 -2.7829 -2.7829 -2.6659 -2.6659 1.8178 1.8178 2.3028 2.3028 2.5228 2.5228 4.8720 4.8720 9.3357 9.3357 11.1583 11.1583 11.9075 11.9075 19.3792 19.3792 k = 0.7410 0.1145-0.1455 ( 1732 PWs) bands (ev): -15.3956 -15.3956 -4.9872 -4.9872 -4.8899 -4.8899 -2.8427 -2.8427 -2.7771 -2.7771 -2.6668 -2.6668 1.8133 1.8133 2.2849 2.2849 2.5434 2.5434 4.8941 4.8941 9.3778 9.3778 11.1160 11.1160 11.8528 11.8528 19.1669 19.1669 k = 0.7496 0.1086-0.1380 ( 1724 PWs) bands (ev): -15.3948 -15.3948 -4.9877 -4.9877 -4.8879 -4.8879 -2.8459 -2.8459 -2.7710 -2.7710 -2.6677 -2.6677 1.8112 1.8112 2.2663 2.2663 2.5641 2.5641 4.9086 4.9086 9.4213 9.4213 11.0789 11.0789 11.8051 11.8051 18.9462 18.9462 k = 0.7583 0.1028-0.1306 ( 1732 PWs) bands (ev): -15.3940 -15.3940 -4.9883 -4.9883 -4.8859 -4.8859 -2.8489 -2.8489 -2.7646 -2.7646 -2.6685 -2.6685 1.8114 1.8114 2.2472 2.2472 2.5847 2.5847 4.9153 4.9153 9.4664 9.4664 11.0467 11.0467 11.7650 11.7650 18.7245 18.7245 k = 0.7669 0.0969-0.1231 ( 1736 PWs) bands (ev): -15.3933 -15.3933 -4.9888 -4.9888 -4.8837 -4.8837 -2.8516 -2.8516 -2.7579 -2.7579 -2.6693 -2.6693 1.8140 1.8140 2.2278 2.2278 2.6050 2.6050 4.9141 4.9141 9.5128 9.5128 11.0192 11.0192 11.7329 11.7329 18.5040 18.5040 k = 0.7755 0.0910-0.1156 ( 1736 PWs) bands (ev): -15.3926 -15.3926 -4.9892 -4.9892 -4.8815 -4.8815 -2.8540 -2.8540 -2.7509 -2.7509 -2.6699 -2.6699 1.8190 1.8190 2.2082 2.2082 2.6250 2.6250 4.9052 4.9052 9.5605 9.5605 10.9958 10.9958 11.7093 11.7093 18.2851 18.2851 k = 0.7841 0.0851-0.1081 ( 1732 PWs) bands (ev): -15.3920 -15.3920 -4.9895 -4.9895 -4.8791 -4.8791 -2.8560 -2.8560 -2.7437 -2.7437 -2.6705 -2.6705 1.8263 1.8263 2.1885 2.1885 2.6446 2.6446 4.8887 4.8887 9.6091 9.6091 10.9763 10.9763 11.6947 11.6947 18.0685 18.0685 k = 0.7927 0.0792-0.1006 ( 1736 PWs) bands (ev): -15.3914 -15.3914 -4.9898 -4.9898 -4.8767 -4.8767 -2.8578 -2.8578 -2.7363 -2.7363 -2.6709 -2.6709 1.8358 1.8358 2.1688 2.1688 2.6637 2.6637 4.8647 4.8647 9.6584 9.6584 10.9604 10.9604 11.6893 11.6893 17.8541 17.8541 k = 0.8013 0.0733-0.0931 ( 1738 PWs) bands (ev): -15.3909 -15.3909 -4.9901 -4.9901 -4.8742 -4.8742 -2.8593 -2.8593 -2.7288 -2.7288 -2.6712 -2.6712 1.8476 1.8476 2.1492 2.1492 2.6823 2.6823 4.8336 4.8336 9.7080 9.7080 10.9481 10.9481 11.6930 11.6930 17.6423 17.6423 k = 0.8099 0.0674-0.0856 ( 1738 PWs) bands (ev): -15.3904 -15.3904 -4.9902 -4.9902 -4.8717 -4.8717 -2.8605 -2.8605 -2.7213 -2.7213 -2.6713 -2.6713 1.8616 1.8616 2.1298 2.1298 2.7002 2.7002 4.7959 4.7959 9.7574 9.7574 10.9395 10.9395 11.7056 11.7056 17.4331 17.4331 k = 0.8185 0.0615-0.0782 ( 1740 PWs) bands (ev): -15.3900 -15.3900 -4.9904 -4.9904 -4.8690 -4.8690 -2.8614 -2.8614 -2.7139 -2.7139 -2.6712 -2.6712 1.8776 1.8776 2.1108 2.1108 2.7175 2.7175 4.7520 4.7520 9.8059 9.8059 10.9350 10.9350 11.7269 11.7269 17.2268 17.2268 k = 0.8271 0.0556-0.0707 ( 1734 PWs) bands (ev): -15.3897 -15.3897 -4.9904 -4.9904 -4.8663 -4.8663 -2.8621 -2.8621 -2.7068 -2.7068 -2.6705 -2.6705 1.8955 1.8955 2.0925 2.0925 2.7342 2.7342 4.7023 4.7023 9.8529 9.8529 10.9351 10.9351 11.7561 11.7561 17.0234 17.0234 k = 0.8271 0.0556-0.0707 ( 1734 PWs) bands (ev): -15.3897 -15.3897 -4.9904 -4.9904 -4.8663 -4.8663 -2.8621 -2.8621 -2.7068 -2.7068 -2.6705 -2.6705 1.8955 1.8955 2.0925 2.0925 2.7342 2.7342 4.7023 4.7023 9.8529 9.8529 10.9351 10.9351 11.7561 11.7561 17.0234 17.0234 k = 0.8258 0.0477-0.0607 ( 1734 PWs) bands (ev): -15.3895 -15.3895 -4.9905 -4.9905 -4.8646 -4.8646 -2.8624 -2.8624 -2.7025 -2.7025 -2.6697 -2.6697 1.9071 1.9071 2.0809 2.0809 2.7463 2.7463 4.6668 4.6668 9.8812 9.8812 10.9372 10.9372 11.7831 11.7831 16.8882 16.8882 k = 0.8245 0.0399-0.0506 ( 1734 PWs) bands (ev): -15.3893 -15.3893 -4.9905 -4.9905 -4.8628 -4.8628 -2.8626 -2.8626 -2.6987 -2.6987 -2.6684 -2.6684 1.9167 1.9167 2.0702 2.0702 2.7604 2.7604 4.6303 4.6303 9.9047 9.9047 10.9395 10.9395 11.8199 11.8199 16.7532 16.7532 k = 0.8232 0.0320-0.0406 ( 1736 PWs) bands (ev): -15.3891 -15.3891 -4.9906 -4.9906 -4.8612 -4.8612 -2.8628 -2.8628 -2.6957 -2.6957 -2.6665 -2.6665 1.9246 1.9246 2.0604 2.0604 2.7762 2.7762 4.5932 4.5932 9.9239 9.9239 10.9413 10.9413 11.8656 11.8656 16.6196 16.6196 k = 0.8220 0.0241-0.0306 ( 1736 PWs) bands (ev): -15.3890 -15.3890 -4.9907 -4.9907 -4.8595 -4.8595 -2.8628 -2.8628 -2.6937 -2.6937 -2.6639 -2.6639 1.9309 1.9309 2.0518 2.0518 2.7932 2.7932 4.5560 4.5560 9.9394 9.9394 10.9425 10.9425 11.9188 11.9188 16.4883 16.4883 k = 0.8207 0.0162-0.0206 ( 1740 PWs) bands (ev): -15.3889 -15.3889 -4.9907 -4.9907 -4.8579 -4.8579 -2.8628 -2.8628 -2.6926 -2.6926 -2.6606 -2.6606 1.9359 1.9359 2.0443 2.0443 2.8108 2.8108 4.5189 4.5189 9.9520 9.9520 10.9429 10.9429 11.9779 11.9779 16.3607 16.3607 k = 0.8194 0.0083-0.0106 ( 1740 PWs) bands (ev): -15.3888 -15.3888 -4.9908 -4.9908 -4.8564 -4.8564 -2.8627 -2.8627 -2.6923 -2.6923 -2.6566 -2.6566 1.9399 1.9399 2.0380 2.0380 2.8285 2.8285 4.4824 4.4824 9.9621 9.9621 10.9430 10.9430 12.0407 12.0407 16.2382 16.2382 k = 0.8181 0.0004-0.0005 ( 1741 PWs) bands (ev): -15.3888 -15.3888 -4.9908 -4.9908 -4.8549 -4.8549 -2.8624 -2.8624 -2.6926 -2.6926 -2.6522 -2.6522 1.9429 1.9429 2.0331 2.0331 2.8456 2.8456 4.4469 4.4469 9.9704 9.9704 10.9428 10.9428 12.1050 12.1050 16.1224 16.1224 k = 0.8168-0.0075 0.0095 ( 1740 PWs) bands (ev): -15.3887 -15.3887 -4.9909 -4.9909 -4.8535 -4.8535 -2.8620 -2.8620 -2.6935 -2.6935 -2.6476 -2.6476 1.9452 1.9452 2.0297 2.0297 2.8616 2.8616 4.4129 4.4129 9.9774 9.9774 10.9428 10.9428 12.1683 12.1683 16.0150 16.0150 k = 0.8155-0.0154 0.0195 ( 1738 PWs) bands (ev): -15.3887 -15.3887 -4.9909 -4.9909 -4.8521 -4.8521 -2.8615 -2.8615 -2.6948 -2.6948 -2.6428 -2.6428 1.9469 1.9469 2.0278 2.0278 2.8759 2.8759 4.3808 4.3808 9.9836 9.9836 10.9432 10.9432 12.2281 12.2281 15.9180 15.9180 k = 0.8142-0.0232 0.0295 ( 1738 PWs) bands (ev): -15.3886 -15.3886 -4.9909 -4.9909 -4.8508 -4.8508 -2.8609 -2.8609 -2.6965 -2.6965 -2.6380 -2.6380 1.9483 1.9483 2.0276 2.0276 2.8878 2.8878 4.3511 4.3511 9.9892 9.9892 10.9444 10.9444 12.2819 12.2819 15.8333 15.8333 k = 0.8129-0.0311 0.0396 ( 1737 PWs) bands (ev): -15.3886 -15.3886 -4.9909 -4.9909 -4.8495 -4.8495 -2.8602 -2.8602 -2.6984 -2.6984 -2.6332 -2.6332 1.9494 1.9494 2.0290 2.0290 2.8967 2.8967 4.3242 4.3242 9.9947 9.9947 10.9465 10.9465 12.3272 12.3272 15.7631 15.7631 k = 0.8116-0.0390 0.0496 ( 1733 PWs) bands (ev): -15.3886 -15.3886 -4.9909 -4.9909 -4.8483 -4.8483 -2.8593 -2.8593 -2.7005 -2.7005 -2.6285 -2.6285 1.9504 1.9504 2.0322 2.0322 2.9022 2.9022 4.3005 4.3005 10.0001 10.0001 10.9499 10.9499 12.3617 12.3617 15.7093 15.7093 k = 0.8103-0.0469 0.0596 ( 1735 PWs) bands (ev): -15.3886 -15.3886 -4.9909 -4.9909 -4.8472 -4.8472 -2.8584 -2.8584 -2.7029 -2.7029 -2.6239 -2.6239 1.9514 1.9514 2.0371 2.0371 2.9037 2.9037 4.2804 4.2804 10.0059 10.0059 10.9545 10.9545 12.3836 12.3836 15.6735 15.6735 k = 0.8090-0.0548 0.0696 ( 1741 PWs) bands (ev): -15.3886 -15.3886 -4.9909 -4.9909 -4.8462 -4.8462 -2.8573 -2.8573 -2.7055 -2.7055 -2.6195 -2.6195 1.9527 1.9527 2.0436 2.0436 2.9009 2.9009 4.2642 4.2642 10.0119 10.0119 10.9607 10.9607 12.3915 12.3915 15.6569 15.6569 k = 0.8077-0.0627 0.0796 ( 1741 PWs) bands (ev): -15.3886 -15.3886 -4.9909 -4.9909 -4.8452 -4.8452 -2.8561 -2.8561 -2.7082 -2.7082 -2.6152 -2.6152 1.9543 1.9543 2.0518 2.0518 2.8936 2.8936 4.2520 4.2520 10.0185 10.0185 10.9685 10.9685 12.3847 12.3847 15.6601 15.6601 k = 0.8064-0.0706 0.0897 ( 1739 PWs) bands (ev): -15.3886 -15.3886 -4.9908 -4.9908 -4.8443 -4.8443 -2.8548 -2.8548 -2.7111 -2.7111 -2.6111 -2.6111 1.9563 1.9563 2.0616 2.0616 2.8816 2.8816 4.2438 4.2438 10.0255 10.0255 10.9779 10.9779 12.3632 12.3632 15.6829 15.6829 k = 0.8052-0.0784 0.0997 ( 1741 PWs) bands (ev): -15.3887 -15.3887 -4.9908 -4.9908 -4.8435 -4.8435 -2.8535 -2.8535 -2.7142 -2.7142 -2.6073 -2.6073 1.9589 1.9589 2.0731 2.0731 2.8650 2.8650 4.2396 4.2396 10.0330 10.0330 10.9891 10.9891 12.3279 12.3279 15.7246 15.7246 k = 0.8039-0.0863 0.1097 ( 1739 PWs) bands (ev): -15.3887 -15.3887 -4.9907 -4.9907 -4.8428 -4.8428 -2.8520 -2.8520 -2.7173 -2.7173 -2.6036 -2.6036 1.9620 1.9620 2.0861 2.0861 2.8439 2.8439 4.2392 4.2392 10.0410 10.0410 11.0019 11.0019 12.2802 12.2802 15.7836 15.7836 k = 0.8026-0.0942 0.1197 ( 1735 PWs) bands (ev): -15.3887 -15.3887 -4.9906 -4.9906 -4.8421 -4.8421 -2.8504 -2.8504 -2.7206 -2.7206 -2.6002 -2.6002 1.9658 1.9658 2.1007 2.1007 2.8186 2.8186 4.2421 4.2421 10.0494 10.0494 11.0164 11.0164 12.2218 12.2218 15.8584 15.8584 k = 0.8013-0.1021 0.1297 ( 1732 PWs) bands (ev): -15.3887 -15.3887 -4.9905 -4.9905 -4.8415 -4.8415 -2.8487 -2.8487 -2.7240 -2.7240 -2.5970 -2.5970 1.9702 1.9702 2.1169 2.1169 2.7895 2.7895 4.2481 4.2481 10.0581 10.0581 11.0326 11.0326 12.1550 12.1550 15.9469 15.9469 k = 0.8000-0.1100 0.1398 ( 1734 PWs) bands (ev): -15.3888 -15.3888 -4.9904 -4.9904 -4.8411 -4.8411 -2.8470 -2.8470 -2.7274 -2.7274 -2.5942 -2.5942 1.9753 1.9753 2.1345 2.1345 2.7569 2.7569 4.2567 4.2567 10.0669 10.0669 11.0502 11.0502 12.0818 12.0818 16.0472 16.0472 k = 0.7987-0.1179 0.1498 ( 1736 PWs) bands (ev): -15.3888 -15.3888 -4.9903 -4.9903 -4.8407 -4.8407 -2.8451 -2.8451 -2.7310 -2.7310 -2.5916 -2.5916 1.9810 1.9810 2.1536 2.1536 2.7213 2.7213 4.2674 4.2674 10.0756 10.0756 11.0692 11.0692 12.0046 12.0046 16.1573 16.1573 k = 0.7974-0.1258 0.1598 ( 1734 PWs) bands (ev): -15.3888 -15.3888 -4.9902 -4.9902 -4.8404 -4.8404 -2.8432 -2.8432 -2.7346 -2.7346 -2.5892 -2.5892 1.9874 1.9874 2.1741 2.1741 2.6831 2.6831 4.2798 4.2798 10.0839 10.0839 11.0892 11.0892 11.9256 11.9256 16.2757 16.2757 k = 0.7961-0.1337 0.1698 ( 1738 PWs) bands (ev): -15.3889 -15.3889 -4.9902 -4.9902 -4.8402 -4.8402 -2.8413 -2.8413 -2.7382 -2.7382 -2.5872 -2.5872 1.9945 1.9945 2.1958 2.1958 2.6429 2.6429 4.2934 4.2934 10.0914 10.0914 11.1097 11.1097 11.8471 11.8471 16.4007 16.4007 k = 0.7948-0.1415 0.1798 ( 1742 PWs) bands (ev): -15.3889 -15.3889 -4.9901 -4.9901 -4.8401 -4.8401 -2.8394 -2.8394 -2.7419 -2.7419 -2.5854 -2.5854 2.0022 2.0022 2.2186 2.2186 2.6012 2.6012 4.3077 4.3077 10.0976 10.0976 11.1302 11.1302 11.7716 11.7716 16.5309 16.5309 k = 0.7935-0.1494 0.1899 ( 1740 PWs) bands (ev): -15.3890 -15.3890 -4.9900 -4.9900 -4.8401 -4.8401 -2.8373 -2.8373 -2.7456 -2.7456 -2.5839 -2.5839 2.0105 2.0105 2.2422 2.2422 2.5586 2.5586 4.3225 4.3225 10.1021 10.1021 11.1495 11.1495 11.7017 11.7017 16.6651 16.6651 k = 0.7922-0.1573 0.1999 ( 1740 PWs) bands (ev): -15.3891 -15.3891 -4.9899 -4.9899 -4.8402 -4.8402 -2.8353 -2.8353 -2.7493 -2.7493 -2.5828 -2.5828 2.0193 2.0193 2.2661 2.2661 2.5159 2.5159 4.3374 4.3374 10.1041 10.1041 11.1661 11.1661 11.6407 11.6407 16.8022 16.8022 k = 0.7909-0.1652 0.2099 ( 1744 PWs) bands (ev): -15.3891 -15.3891 -4.9899 -4.9899 -4.8404 -4.8404 -2.8332 -2.8332 -2.7529 -2.7529 -2.5819 -2.5819 2.0286 2.0286 2.2888 2.2888 2.4748 2.4748 4.3520 4.3520 10.1030 10.1030 11.1779 11.1779 11.5922 11.5922 16.9415 16.9415 k = 0.7896-0.1731 0.2199 ( 1744 PWs) bands (ev): -15.3892 -15.3892 -4.9899 -4.9899 -4.8407 -4.8407 -2.8312 -2.8312 -2.7566 -2.7566 -2.5812 -2.5812 2.0383 2.0383 2.3066 2.3066 2.4394 2.4394 4.3662 4.3662 10.0981 10.0981 11.1827 11.1827 11.5598 11.5598 17.0819 17.0819 k = 0.7884-0.1810 0.2299 ( 1744 PWs) bands (ev): -15.3893 -15.3893 -4.9898 -4.9898 -4.8411 -4.8411 -2.8292 -2.8292 -2.7601 -2.7601 -2.5809 -2.5809 2.0482 2.0482 2.3092 2.3092 2.4201 2.4201 4.3796 4.3796 10.0887 10.0887 11.1797 11.1797 11.5455 11.5455 17.2230 17.2230 k = 0.7884-0.1810 0.2299 ( 1744 PWs) bands (ev): -15.3893 -15.3893 -4.9898 -4.9898 -4.8411 -4.8411 -2.8292 -2.8292 -2.7601 -2.7601 -2.5809 -2.5809 2.0482 2.0482 2.3092 2.3092 2.4201 2.4201 4.3796 4.3796 10.0887 10.0887 11.1797 11.1797 11.5455 11.5455 17.2230 17.2230 k = 0.7811-0.1785 0.2402 ( 1743 PWs) bands (ev): -15.3895 -15.3895 -4.9898 -4.9898 -4.8417 -4.8417 -2.8271 -2.8271 -2.7638 -2.7638 -2.5809 -2.5809 2.0530 2.0530 2.2987 2.2987 2.4203 2.4203 4.3925 4.3925 10.0748 10.0748 11.1686 11.1686 11.5498 11.5498 17.3682 17.3682 k = 0.7739-0.1760 0.2504 ( 1739 PWs) bands (ev): -15.3895 -15.3895 -4.9898 -4.9898 -4.8424 -4.8424 -2.8250 -2.8250 -2.7675 -2.7675 -2.5812 -2.5812 2.0474 2.0474 2.2870 2.2870 2.4335 2.4335 4.4047 4.4047 10.0578 10.0578 11.1481 11.1481 11.5735 11.5735 17.5154 17.5154 k = 0.7667-0.1735 0.2607 ( 1738 PWs) bands (ev): -15.3896 -15.3896 -4.9898 -4.9898 -4.8432 -4.8432 -2.8229 -2.8229 -2.7712 -2.7712 -2.5818 -2.5818 2.0329 2.0329 2.2750 2.2750 2.4574 2.4574 4.4159 4.4159 10.0383 10.0383 11.1195 11.1195 11.6147 11.6147 17.6643 17.6643 k = 0.7595-0.1711 0.2709 ( 1741 PWs) bands (ev): -15.3897 -15.3897 -4.9898 -4.9898 -4.8443 -4.8443 -2.8208 -2.8208 -2.7748 -2.7748 -2.5828 -2.5828 2.0120 2.0120 2.2633 2.2633 2.4889 2.4889 4.4262 4.4262 10.0168 10.0168 11.0853 11.0853 11.6701 11.6701 17.8139 17.8139 k = 0.7523-0.1686 0.2811 ( 1745 PWs) bands (ev): -15.3898 -15.3898 -4.9899 -4.9899 -4.8454 -4.8454 -2.8189 -2.8189 -2.7783 -2.7783 -2.5842 -2.5842 1.9869 1.9869 2.2524 2.2524 2.5254 2.5254 4.4356 4.4356 9.9939 9.9939 11.0480 11.0480 11.7367 11.7367 17.9623 17.9623 k = 0.7451-0.1661 0.2914 ( 1746 PWs) bands (ev): -15.3899 -15.3899 -4.9900 -4.9900 -4.8467 -4.8467 -2.8172 -2.8172 -2.7816 -2.7816 -2.5859 -2.5859 1.9593 1.9593 2.2424 2.2424 2.5651 2.5651 4.4440 4.4440 9.9701 9.9701 11.0093 11.0093 11.8120 11.8120 18.1012 18.1012 k = 0.7379-0.1636 0.3016 ( 1747 PWs) bands (ev): -15.3899 -15.3899 -4.9900 -4.9900 -4.8482 -4.8482 -2.8159 -2.8159 -2.7844 -2.7844 -2.5879 -2.5879 1.9304 1.9304 2.2331 2.2331 2.6067 2.6067 4.4517 4.4517 9.9457 9.9457 10.9703 10.9703 11.8941 11.8941 18.1803 18.1803 k = 0.7307-0.1612 0.3119 ( 1749 PWs) bands (ev): -15.3900 -15.3900 -4.9901 -4.9901 -4.8497 -4.8497 -2.8151 -2.8151 -2.7867 -2.7867 -2.5903 -2.5903 1.9011 1.9011 2.2247 2.2247 2.6492 2.6492 4.4586 4.4586 9.9213 9.9213 10.9317 10.9317 11.9815 11.9815 18.1021 18.1021 k = 0.7235-0.1587 0.3221 ( 1751 PWs) bands (ev): -15.3900 -15.3900 -4.9902 -4.9902 -4.8514 -4.8514 -2.8150 -2.8150 -2.7881 -2.7881 -2.5930 -2.5930 1.8718 1.8718 2.2170 2.2170 2.6918 2.6918 4.4649 4.4649 9.8970 9.8970 10.8941 10.8941 12.0728 12.0728 17.9617 17.9617 k = 0.7163-0.1562 0.3323 ( 1749 PWs) bands (ev): -15.3900 -15.3900 -4.9903 -4.9903 -4.8531 -4.8531 -2.8158 -2.8158 -2.7885 -2.7885 -2.5960 -2.5960 1.8432 1.8432 2.2101 2.2101 2.7341 2.7341 4.4710 4.4710 9.8731 9.8731 10.8579 10.8579 12.1667 12.1667 17.8124 17.8124 k = 0.7091-0.1537 0.3426 ( 1749 PWs) bands (ev): -15.3900 -15.3900 -4.9904 -4.9904 -4.8550 -4.8550 -2.8175 -2.8175 -2.7880 -2.7880 -2.5994 -2.5994 1.8153 1.8153 2.2039 2.2039 2.7755 2.7755 4.4770 4.4770 9.8500 9.8500 10.8234 10.8234 12.2618 12.2618 17.6637 17.6637 k = 0.7018-0.1513 0.3528 ( 1751 PWs) bands (ev): -15.3899 -15.3899 -4.9905 -4.9905 -4.8569 -4.8569 -2.8198 -2.8198 -2.7868 -2.7868 -2.6030 -2.6030 1.7885 1.7885 2.1986 2.1986 2.8154 2.8154 4.4832 4.4832 9.8277 9.8277 10.7906 10.7906 12.3570 12.3570 17.5189 17.5189 k = 0.6946-0.1488 0.3631 ( 1751 PWs) bands (ev): -15.3899 -15.3899 -4.9905 -4.9905 -4.8589 -4.8589 -2.8225 -2.8225 -2.7851 -2.7851 -2.6070 -2.6070 1.7628 1.7628 2.1940 2.1940 2.8534 2.8534 4.4899 4.4899 9.8064 9.8064 10.7599 10.7599 12.4507 12.4507 17.3803 17.3803 k = 0.6874-0.1463 0.3733 ( 1753 PWs) bands (ev): -15.3898 -15.3898 -4.9906 -4.9906 -4.8610 -4.8610 -2.8255 -2.8255 -2.7830 -2.7830 -2.6113 -2.6113 1.7385 1.7385 2.1902 2.1902 2.8891 2.8891 4.4976 4.4976 9.7862 9.7862 10.7312 10.7312 12.5414 12.5414 17.2496 17.2496 k = 0.6802-0.1438 0.3835 ( 1759 PWs) bands (ev): -15.3897 -15.3897 -4.9907 -4.9907 -4.8632 -4.8632 -2.8286 -2.8286 -2.7807 -2.7807 -2.6158 -2.6158 1.7155 1.7155 2.1872 2.1872 2.9220 2.9220 4.5065 4.5065 9.7673 9.7673 10.7047 10.7047 12.6274 12.6274 17.1287 17.1287 k = 0.6730-0.1414 0.3938 ( 1763 PWs) bands (ev): -15.3896 -15.3896 -4.9908 -4.9908 -4.8654 -4.8654 -2.8317 -2.8317 -2.7783 -2.7783 -2.6207 -2.6207 1.6939 1.6939 2.1850 2.1850 2.9518 2.9518 4.5170 4.5170 9.7497 9.7497 10.6804 10.6804 12.7068 12.7068 17.0195 17.0195 k = 0.6658-0.1389 0.4040 ( 1755 PWs) bands (ev): -15.3895 -15.3895 -4.9908 -4.9908 -4.8676 -4.8676 -2.8347 -2.8347 -2.7758 -2.7758 -2.6257 -2.6257 1.6738 1.6738 2.1837 2.1837 2.9781 2.9781 4.5295 4.5295 9.7334 9.7334 10.6583 10.6583 12.7778 12.7778 16.9242 16.9242 k = 0.6586-0.1364 0.4143 ( 1755 PWs) bands (ev): -15.3893 -15.3893 -4.9908 -4.9908 -4.8699 -4.8699 -2.8376 -2.8376 -2.7733 -2.7733 -2.6310 -2.6310 1.6551 1.6551 2.1831 2.1831 3.0006 3.0006 4.5442 4.5442 9.7186 9.7186 10.6385 10.6385 12.8382 12.8382 16.8447 16.8447 k = 0.6514-0.1339 0.4245 ( 1755 PWs) bands (ev): -15.3891 -15.3891 -4.9908 -4.9908 -4.8722 -4.8722 -2.8404 -2.8404 -2.7707 -2.7707 -2.6365 -2.6365 1.6379 1.6379 2.1835 2.1835 3.0190 3.0190 4.5614 4.5614 9.7052 9.7052 10.6210 10.6210 12.8861 12.8861 16.7830 16.7830 k = 0.6442-0.1315 0.4347 ( 1755 PWs) bands (ev): -15.3889 -15.3889 -4.9907 -4.9907 -4.8746 -4.8746 -2.8431 -2.8431 -2.7682 -2.7682 -2.6422 -2.6422 1.6222 1.6222 2.1847 2.1847 3.0331 3.0331 4.5813 4.5813 9.6933 9.6933 10.6057 10.6057 12.9199 12.9199 16.7410 16.7410 k = 0.6370-0.1290 0.4450 ( 1749 PWs) bands (ev): -15.3887 -15.3887 -4.9907 -4.9907 -4.8770 -4.8770 -2.8457 -2.8457 -2.7657 -2.7657 -2.6481 -2.6481 1.6079 1.6079 2.1868 2.1868 3.0430 3.0430 4.6040 4.6040 9.6828 9.6828 10.5927 10.5927 12.9383 12.9383 16.7199 16.7199 k = 0.6298-0.1265 0.4552 ( 1747 PWs) bands (ev): -15.3885 -15.3885 -4.9906 -4.9906 -4.8794 -4.8794 -2.8481 -2.8481 -2.7633 -2.7633 -2.6542 -2.6542 1.5949 1.5949 2.1897 2.1897 3.0486 3.0486 4.6295 4.6295 9.6738 9.6738 10.5818 10.5818 12.9404 12.9404 16.7206 16.7206 k = 0.6226-0.1240 0.4655 ( 1750 PWs) bands (ev): -15.3883 -15.3883 -4.9905 -4.9905 -4.8819 -4.8819 -2.8503 -2.8503 -2.7609 -2.7609 -2.6604 -2.6604 1.5833 1.5833 2.1935 2.1935 3.0501 3.0501 4.6576 4.6576 9.6661 9.6661 10.5730 10.5730 12.9264 12.9264 16.7431 16.7431 k = 0.6153-0.1215 0.4757 ( 1750 PWs) bands (ev): -15.3880 -15.3880 -4.9903 -4.9903 -4.8843 -4.8843 -2.8523 -2.8523 -2.7587 -2.7587 -2.6667 -2.6667 1.5730 1.5730 2.1981 2.1981 3.0476 3.0476 4.6883 4.6883 9.6599 9.6599 10.5662 10.5662 12.8968 12.8968 16.7870 16.7870 k = 0.6081-0.1191 0.4859 ( 1754 PWs) bands (ev): -15.3878 -15.3878 -4.9902 -4.9902 -4.8868 -4.8868 -2.8542 -2.8542 -2.7565 -2.7565 -2.6731 -2.6731 1.5638 1.5638 2.2036 2.2036 3.0414 3.0414 4.7213 4.7213 9.6549 9.6549 10.5613 10.5613 12.8529 12.8529 16.8509 16.8509 k = 0.6009-0.1166 0.4962 ( 1756 PWs) bands (ev): -15.3875 -15.3875 -4.9900 -4.9900 -4.8892 -4.8892 -2.8559 -2.8559 -2.7545 -2.7545 -2.6796 -2.6796 1.5558 1.5558 2.2099 2.2099 3.0318 3.0318 4.7563 4.7563 9.6511 9.6511 10.5582 10.5582 12.7966 12.7966 16.9333 16.9333 k = 0.5937-0.1141 0.5064 ( 1754 PWs) bands (ev): -15.3873 -15.3873 -4.9898 -4.9898 -4.8917 -4.8917 -2.8573 -2.8573 -2.7525 -2.7525 -2.6861 -2.6861 1.5488 1.5488 2.2170 2.2170 3.0193 3.0193 4.7930 4.7930 9.6485 9.6485 10.5567 10.5567 12.7299 12.7299 17.0322 17.0322 k = 0.5865-0.1116 0.5167 ( 1756 PWs) bands (ev): -15.3870 -15.3870 -4.9895 -4.9895 -4.8941 -4.8941 -2.8586 -2.8586 -2.7507 -2.7507 -2.6927 -2.6927 1.5427 1.5427 2.2249 2.2249 3.0043 3.0043 4.8311 4.8311 9.6468 9.6468 10.5566 10.5566 12.6550 12.6550 17.1456 17.1456 k = 0.5793-0.1092 0.5269 ( 1755 PWs) bands (ev): -15.3868 -15.3868 -4.9892 -4.9892 -4.8966 -4.8966 -2.8596 -2.8596 -2.7490 -2.7490 -2.6993 -2.6993 1.5374 1.5374 2.2337 2.2337 2.9871 2.9871 4.8701 4.8701 9.6459 9.6459 10.5577 10.5577 12.5741 12.5741 17.2713 17.2713 k = 0.5721-0.1067 0.5371 ( 1753 PWs) bands (ev): -15.3865 -15.3865 -4.9889 -4.9889 -4.8990 -4.8990 -2.8605 -2.8605 -2.7474 -2.7474 -2.7059 -2.7059 1.5328 1.5328 2.2432 2.2432 2.9683 2.9683 4.9097 4.9097 9.6455 9.6455 10.5598 10.5598 12.4896 12.4896 17.4075 17.4075 k = 0.5649-0.1042 0.5474 ( 1756 PWs) bands (ev): -15.3863 -15.3863 -4.9886 -4.9886 -4.9014 -4.9014 -2.8612 -2.8612 -2.7460 -2.7460 -2.7123 -2.7123 1.5287 1.5287 2.2534 2.2534 2.9481 2.9481 4.9495 4.9495 9.6455 9.6455 10.5625 10.5625 12.4036 12.4036 17.5520 17.5520 k = 0.5577-0.1017 0.5576 ( 1755 PWs) bands (ev): -15.3861 -15.3861 -4.9883 -4.9883 -4.9037 -4.9037 -2.8617 -2.8617 -2.7448 -2.7448 -2.7187 -2.7187 1.5250 1.5250 2.2643 2.2643 2.9271 2.9271 4.9893 4.9893 9.6455 9.6455 10.5656 10.5656 12.3181 12.3181 17.7033 17.7033 k = 0.5505-0.0993 0.5679 ( 1755 PWs) bands (ev): -15.3859 -15.3859 -4.9879 -4.9879 -4.9060 -4.9060 -2.8620 -2.8620 -2.7438 -2.7438 -2.7249 -2.7249 1.5215 1.5215 2.2760 2.2760 2.9058 2.9058 5.0285 5.0285 9.6451 9.6451 10.5687 10.5687 12.2352 12.2352 17.8595 17.8595 k = 0.5433-0.0968 0.5781 ( 1754 PWs) bands (ev): -15.3857 -15.3857 -4.9875 -4.9875 -4.9083 -4.9083 -2.8622 -2.8622 -2.7432 -2.7432 -2.7307 -2.7307 1.5179 1.5179 2.2883 2.2883 2.8844 2.8844 5.0669 5.0669 9.6439 9.6439 10.5715 10.5715 12.1566 12.1566 18.0192 18.0192 k = 0.5360-0.0943 0.5883 ( 1754 PWs) bands (ev): -15.3856 -15.3856 -4.9872 -4.9872 -4.9106 -4.9106 -2.8622 -2.8622 -2.7437 -2.7437 -2.7355 -2.7355 1.5142 1.5142 2.3012 2.3012 2.8634 2.8634 5.1041 5.1041 9.6414 9.6414 10.5737 10.5737 12.0841 12.0841 18.1806 18.1806 k = 0.5288-0.0918 0.5986 ( 1754 PWs) bands (ev): -15.3854 -15.3854 -4.9868 -4.9868 -4.9128 -4.9128 -2.8620 -2.8620 -2.7467 -2.7467 -2.7376 -2.7376 1.5102 1.5102 2.3148 2.3148 2.8432 2.8432 5.1399 5.1399 9.6369 9.6369 10.5753 10.5753 12.0194 12.0194 18.3424 18.3424 k = 0.5216-0.0894 0.6088 ( 1754 PWs) bands (ev): -15.3853 -15.3853 -4.9864 -4.9864 -4.9150 -4.9150 -2.8618 -2.8618 -2.7516 -2.7516 -2.7379 -2.7379 1.5056 1.5056 2.3288 2.3288 2.8241 2.8241 5.1740 5.1740 9.6298 9.6298 10.5763 10.5763 11.9639 11.9639 18.5031 18.5031 k = 0.5144-0.0869 0.6191 ( 1754 PWs) bands (ev): -15.3853 -15.3853 -4.9860 -4.9860 -4.9172 -4.9172 -2.8614 -2.8614 -2.7569 -2.7569 -2.7377 -2.7377 1.5002 1.5002 2.3434 2.3434 2.8064 2.8064 5.2059 5.2059 9.6195 9.6195 10.5768 10.5768 11.9185 11.9185 18.6611 18.6611 k = 0.5072-0.0844 0.6293 ( 1748 PWs) bands (ev): -15.3852 -15.3852 -4.9856 -4.9856 -4.9192 -4.9192 -2.8609 -2.8609 -2.7622 -2.7622 -2.7373 -2.7373 1.4940 1.4940 2.3585 2.3585 2.7905 2.7905 5.2355 5.2355 9.6053 9.6053 10.5776 10.5776 11.8841 11.8841 18.8151 18.8151 k = 0.5000-0.0819 0.6395 ( 1746 PWs) bands (ev): -15.3853 -15.3853 -4.9852 -4.9852 -4.9213 -4.9213 -2.8604 -2.8604 -2.7673 -2.7673 -2.7370 -2.7370 1.4866 1.4866 2.3740 2.3740 2.7765 2.7765 5.2625 5.2625 9.5867 9.5867 10.5793 10.5793 11.8610 11.8610 18.9636 18.9636 k = 0.5000 0.6409-0.0707 ( 1746 PWs) bands (ev): -15.3853 -15.3853 -4.9852 -4.9852 -4.9213 -4.9213 -2.8604 -2.8604 -2.7673 -2.7673 -2.7370 -2.7370 1.4866 1.4866 2.3740 2.3740 2.7765 2.7765 5.2625 5.2625 9.5867 9.5867 10.5793 10.5793 11.8610 11.8610 18.9636 18.9636 k = 0.5000 0.6308-0.0786 ( 1738 PWs) bands (ev): -15.3854 -15.3854 -4.9845 -4.9845 -4.9243 -4.9243 -2.8592 -2.8592 -2.7749 -2.7749 -2.7364 -2.7364 1.4756 1.4756 2.3982 2.3982 2.7563 2.7563 5.2977 5.2977 9.5530 9.5530 10.5871 10.5871 11.8386 11.8386 19.1890 19.1890 k = 0.5000 0.6208-0.0865 ( 1738 PWs) bands (ev): -15.3856 -15.3856 -4.9837 -4.9837 -4.9272 -4.9272 -2.8577 -2.8577 -2.7820 -2.7820 -2.7359 -2.7359 1.4670 1.4670 2.4222 2.4222 2.7355 2.7355 5.3238 5.3238 9.5172 9.5172 10.6026 10.6026 11.8256 11.8256 19.4160 19.4160 k = 0.5000 0.6108-0.0944 ( 1742 PWs) bands (ev): -15.3859 -15.3859 -4.9829 -4.9829 -4.9299 -4.9299 -2.8559 -2.8559 -2.7886 -2.7886 -2.7353 -2.7353 1.4607 1.4607 2.4458 2.4458 2.7140 2.7140 5.3405 5.3405 9.4799 9.4799 10.6250 10.6250 11.8221 11.8221 19.6440 19.6440 k = 0.5000 0.6007-0.1023 ( 1738 PWs) bands (ev): -15.3863 -15.3863 -4.9818 -4.9818 -4.9324 -4.9324 -2.8536 -2.8536 -2.7947 -2.7947 -2.7347 -2.7347 1.4570 1.4570 2.4690 2.4690 2.6920 2.6920 5.3476 5.3476 9.4419 9.4419 10.6537 10.6537 11.8285 11.8285 19.8718 19.8718 k = 0.5000 0.5907-0.1102 ( 1738 PWs) bands (ev): -15.3868 -15.3868 -4.9806 -4.9806 -4.9347 -4.9347 -2.8509 -2.8509 -2.8001 -2.8001 -2.7341 -2.7341 1.4556 1.4556 2.4916 2.4916 2.6697 2.6697 5.3449 5.3449 9.4037 9.4037 10.6885 10.6885 11.8448 11.8448 20.0957 20.0957 k = 0.5000 0.5806-0.1181 ( 1738 PWs) bands (ev): -15.3875 -15.3875 -4.9793 -4.9793 -4.9369 -4.9369 -2.8479 -2.8479 -2.8049 -2.8049 -2.7334 -2.7334 1.4566 1.4566 2.5132 2.5132 2.6473 2.6473 5.3325 5.3325 9.3658 9.3658 10.7288 10.7288 11.8706 11.8706 20.2992 20.2992 k = 0.5000 0.5706-0.1260 ( 1734 PWs) bands (ev): -15.3882 -15.3882 -4.9778 -4.9778 -4.9389 -4.9389 -2.8448 -2.8448 -2.8089 -2.8089 -2.7327 -2.7327 1.4602 1.4602 2.5333 2.5333 2.6256 2.6256 5.3106 5.3106 9.3286 9.3286 10.7746 10.7746 11.9059 11.9059 20.3657 20.3657 k = 0.5000 0.5606-0.1339 ( 1734 PWs) bands (ev): -15.3890 -15.3890 -4.9762 -4.9762 -4.9406 -4.9406 -2.8417 -2.8417 -2.8119 -2.8119 -2.7319 -2.7319 1.4661 1.4661 2.5492 2.5492 2.6070 2.6070 5.2793 5.2793 9.2921 9.2921 10.8256 10.8256 11.9502 11.9502 20.2087 20.2087 k = 0.5000 0.5505-0.1418 ( 1738 PWs) bands (ev): -15.3899 -15.3899 -4.9745 -4.9745 -4.9422 -4.9422 -2.8390 -2.8390 -2.8135 -2.8135 -2.7311 -2.7311 1.4745 1.4745 2.5519 2.5519 2.6008 2.6008 5.2392 5.2392 9.2568 9.2568 10.8817 10.8817 12.0030 12.0030 20.0015 20.0015 k = 0.5000 0.5405-0.1497 ( 1738 PWs) bands (ev): -15.3909 -15.3909 -4.9727 -4.9727 -4.9436 -4.9436 -2.8373 -2.8373 -2.8134 -2.8134 -2.7301 -2.7301 1.4855 1.4855 2.5368 2.5368 2.6115 2.6115 5.1906 5.1906 9.2225 9.2225 10.9427 10.9427 12.0637 12.0637 19.7860 19.7860 k = 0.5000 0.5304-0.1576 ( 1738 PWs) bands (ev): -15.3920 -15.3920 -4.9708 -4.9708 -4.9447 -4.9447 -2.8368 -2.8368 -2.8112 -2.8112 -2.7291 -2.7291 1.4989 1.4989 2.5150 2.5150 2.6279 2.6279 5.1343 5.1343 9.1895 9.1895 11.0084 11.0084 12.1318 12.1318 19.5691 19.5691 k = 0.5000 0.5204-0.1655 ( 1738 PWs) bands (ev): -15.3932 -15.3932 -4.9689 -4.9689 -4.9455 -4.9455 -2.8372 -2.8372 -2.8074 -2.8074 -2.7279 -2.7279 1.5149 1.5149 2.4915 2.4915 2.6455 2.6455 5.0706 5.0706 9.1578 9.1578 11.0786 11.0786 12.2065 12.2065 19.3528 19.3528 k = 0.5000 0.5104-0.1734 ( 1738 PWs) bands (ev): -15.3944 -15.3944 -4.9671 -4.9671 -4.9460 -4.9460 -2.8381 -2.8381 -2.8025 -2.8025 -2.7265 -2.7265 1.5335 1.5335 2.4673 2.4673 2.6629 2.6629 5.0004 5.0004 9.1275 9.1275 11.1531 11.1531 12.2874 12.2874 19.1379 19.1379 k = 0.5000 0.5003-0.1813 ( 1738 PWs) bands (ev): -15.3957 -15.3957 -4.9656 -4.9656 -4.9461 -4.9461 -2.8391 -2.8391 -2.7970 -2.7970 -2.7249 -2.7249 1.5547 1.5547 2.4429 2.4429 2.6798 2.6798 4.9243 4.9243 9.0986 9.0986 11.2317 11.2317 12.3736 12.3736 18.9248 18.9248 k = 0.5000 0.4903-0.1892 ( 1736 PWs) bands (ev): -15.3970 -15.3970 -4.9643 -4.9643 -4.9456 -4.9456 -2.8401 -2.8401 -2.7911 -2.7911 -2.7229 -2.7229 1.5785 1.5785 2.4186 2.4186 2.6961 2.6961 4.8428 4.8428 9.0711 9.0711 11.3142 11.3142 12.4646 12.4646 18.7139 18.7139 k = 0.5000 0.4803-0.1971 ( 1736 PWs) bands (ev): -15.3984 -15.3984 -4.9634 -4.9634 -4.9446 -4.9446 -2.8409 -2.8409 -2.7851 -2.7851 -2.7206 -2.7206 1.6050 1.6050 2.3946 2.3946 2.7117 2.7117 4.7568 4.7568 9.0450 9.0450 11.4001 11.4001 12.5596 12.5596 18.5053 18.5053 k = 0.5000 0.4702-0.2050 ( 1736 PWs) bands (ev): -15.3997 -15.3997 -4.9629 -4.9629 -4.9430 -4.9430 -2.8416 -2.8416 -2.7792 -2.7792 -2.7178 -2.7178 1.6342 1.6342 2.3709 2.3709 2.7266 2.7266 4.6667 4.6667 9.0203 9.0203 11.4893 11.4893 12.6580 12.6580 18.2993 18.2993 k = 0.5000 0.4602-0.2129 ( 1740 PWs) bands (ev): -15.4012 -15.4012 -4.9627 -4.9627 -4.9410 -4.9410 -2.8421 -2.8421 -2.7737 -2.7737 -2.7145 -2.7145 1.6661 1.6661 2.3477 2.3477 2.7406 2.7406 4.5732 4.5732 8.9971 8.9971 11.5813 11.5813 12.7591 12.7591 18.0961 18.0961 k = 0.5000 0.4501-0.2208 ( 1740 PWs) bands (ev): -15.4026 -15.4026 -4.9628 -4.9628 -4.9386 -4.9386 -2.8424 -2.8424 -2.7687 -2.7687 -2.7105 -2.7105 1.7008 1.7008 2.3251 2.3251 2.7539 2.7539 4.4768 4.4768 8.9753 8.9753 11.6759 11.6759 12.8623 12.8623 17.8959 17.8959 k = 0.5000 0.4401-0.2287 ( 1744 PWs) bands (ev): -15.4040 -15.4040 -4.9630 -4.9630 -4.9360 -4.9360 -2.8425 -2.8425 -2.7642 -2.7642 -2.7058 -2.7058 1.7382 1.7382 2.3032 2.3032 2.7663 2.7663 4.3782 4.3782 8.9549 8.9549 11.7727 11.7727 12.9669 12.9669 17.6989 17.6989 k = 0.5000 0.4301-0.2366 ( 1744 PWs) bands (ev): -15.4054 -15.4054 -4.9633 -4.9633 -4.9333 -4.9333 -2.8425 -2.8425 -2.7604 -2.7604 -2.7005 -2.7005 1.7784 1.7784 2.2822 2.2822 2.7780 2.7780 4.2779 4.2779 8.9359 8.9359 11.8712 11.8712 13.0724 13.0724 17.5053 17.5053 k = 0.5000 0.4200-0.2445 ( 1744 PWs) bands (ev): -15.4068 -15.4068 -4.9637 -4.9637 -4.9305 -4.9305 -2.8423 -2.8423 -2.7572 -2.7572 -2.6947 -2.6947 1.8214 1.8214 2.2621 2.2621 2.7888 2.7888 4.1762 4.1762 8.9183 8.9183 11.9710 11.9710 13.1780 13.1780 17.3154 17.3154 k = 0.5000 0.4100-0.2524 ( 1740 PWs) bands (ev): -15.4081 -15.4081 -4.9641 -4.9641 -4.9276 -4.9276 -2.8421 -2.8421 -2.7546 -2.7546 -2.6884 -2.6884 1.8671 1.8671 2.2431 2.2431 2.7989 2.7989 4.0738 4.0738 8.9020 8.9020 12.0716 12.0716 13.2832 13.2832 17.1295 17.1295 k = 0.5000 0.3999-0.2603 ( 1738 PWs) bands (ev): -15.4094 -15.4094 -4.9645 -4.9645 -4.9249 -4.9249 -2.8417 -2.8417 -2.7524 -2.7524 -2.6819 -2.6819 1.9154 1.9154 2.2253 2.2253 2.8082 2.8082 3.9710 3.9710 8.8871 8.8871 12.1723 12.1723 13.3873 13.3873 16.9480 16.9480 k = 0.5000 0.3899-0.2682 ( 1732 PWs) bands (ev): -15.4106 -15.4106 -4.9649 -4.9649 -4.9222 -4.9222 -2.8412 -2.8412 -2.7507 -2.7507 -2.6754 -2.6754 1.9662 1.9662 2.2090 2.2090 2.8166 2.8166 3.8683 3.8683 8.8735 8.8735 12.2724 12.2724 13.4899 13.4899 16.7714 16.7714 k = 0.5000 0.3799-0.2761 ( 1732 PWs) bands (ev): -15.4118 -15.4118 -4.9653 -4.9653 -4.9196 -4.9196 -2.8408 -2.8408 -2.7493 -2.7493 -2.6689 -2.6689 2.0190 2.0190 2.1947 2.1947 2.8244 2.8244 3.7660 3.7660 8.8612 8.8612 12.3712 12.3712 13.5902 13.5902 16.6001 16.6001 k = 0.5000 0.3698-0.2840 ( 1734 PWs) bands (ev): -15.4128 -15.4128 -4.9656 -4.9656 -4.9173 -4.9173 -2.8403 -2.8403 -2.7482 -2.7482 -2.6627 -2.6627 2.0722 2.0722 2.1839 2.1839 2.8313 2.8313 3.6646 3.6646 8.8501 8.8501 12.4675 12.4675 13.6878 13.6878 16.4348 16.4348 k = 0.5000 0.3598-0.2919 ( 1734 PWs) bands (ev): -15.4138 -15.4138 -4.9660 -4.9660 -4.9150 -4.9150 -2.8398 -2.8398 -2.7472 -2.7472 -2.6568 -2.6568 2.1182 2.1182 2.1843 2.1843 2.8376 2.8376 3.5646 3.5646 8.8403 8.8403 12.5603 12.5603 13.7821 13.7821 16.2766 16.2766 k = 0.5000 0.3497-0.2998 ( 1734 PWs) bands (ev): -15.4147 -15.4147 -4.9663 -4.9663 -4.9130 -4.9130 -2.8393 -2.8393 -2.7465 -2.7465 -2.6513 -2.6513 2.1343 2.1343 2.2182 2.2182 2.8431 2.8431 3.4663 3.4663 8.8317 8.8317 12.6482 12.6482 13.8723 13.8723 16.1264 16.1264 k = 0.5000 0.3397-0.3077 ( 1734 PWs) bands (ev): -15.4155 -15.4155 -4.9665 -4.9665 -4.9112 -4.9112 -2.8388 -2.8388 -2.7459 -2.7459 -2.6465 -2.6465 2.1309 2.1309 2.2750 2.2750 2.8479 2.8479 3.3704 3.3704 8.8243 8.8243 12.7296 12.7296 13.9577 13.9577 15.9858 15.9858 k = 0.5000 0.3297-0.3156 ( 1732 PWs) bands (ev): -15.4162 -15.4162 -4.9668 -4.9668 -4.9097 -4.9097 -2.8384 -2.8384 -2.7454 -2.7454 -2.6422 -2.6422 2.1244 2.1244 2.3377 2.3377 2.8522 2.8522 3.2776 3.2776 8.8180 8.8180 12.8030 12.8030 14.0372 14.0372 15.8568 15.8568 k = 0.5000 0.3196-0.3235 ( 1728 PWs) bands (ev): -15.4167 -15.4167 -4.9669 -4.9669 -4.9084 -4.9084 -2.8381 -2.8381 -2.7450 -2.7450 -2.6386 -2.6386 2.1183 2.1183 2.4020 2.4020 2.8560 2.8560 3.1890 3.1890 8.8130 8.8130 12.8664 12.8664 14.1091 14.1091 15.7422 15.7422 k = 0.5000 0.3096-0.3314 ( 1728 PWs) bands (ev): -15.4172 -15.4172 -4.9671 -4.9671 -4.9074 -4.9074 -2.8378 -2.8378 -2.7447 -2.7447 -2.6357 -2.6357 2.1132 2.1132 2.4650 2.4650 2.8595 2.8595 3.1066 3.1066 8.8090 8.8090 12.9181 12.9181 14.1710 14.1710 15.6454 15.6454 k = 0.5000 0.2996-0.3393 ( 1728 PWs) bands (ev): -15.4175 -15.4175 -4.9672 -4.9672 -4.9066 -4.9066 -2.8376 -2.8376 -2.7445 -2.7445 -2.6337 -2.6337 2.1094 2.1094 2.5225 2.5225 2.8632 2.8632 3.0341 3.0341 8.8062 8.8062 12.9564 12.9564 14.2196 14.2196 15.5709 15.5709 k = 0.5000 0.2895-0.3472 ( 1724 PWs) bands (ev): -15.4177 -15.4177 -4.9673 -4.9673 -4.9062 -4.9062 -2.8374 -2.8374 -2.7444 -2.7444 -2.6324 -2.6324 2.1071 2.1071 2.5663 2.5663 2.8675 2.8675 2.9792 2.9792 8.8046 8.8046 12.9800 12.9800 14.2511 14.2511 15.5234 15.5234 k = 0.5000 0.2795-0.3551 ( 1720 PWs) bands (ev): -15.4178 -15.4178 -4.9672 -4.9672 -4.9060 -4.9060 -2.8374 -2.8374 -2.7443 -2.7443 -2.6320 -2.6320 2.1063 2.1063 2.5835 2.5835 2.8704 2.8704 2.9568 2.9568 8.8040 8.8040 12.9880 12.9880 14.2620 14.2620 15.5071 15.5071 k = 0.0000 0.6216 0.4892 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8295 -4.8295 -2.8543 -2.8543 -2.6863 -2.6863 -2.5823 -2.5823 1.8513 1.8513 2.4851 2.4851 2.9050 2.9050 3.5593 3.5593 10.1158 10.1158 11.7329 11.7329 12.7686 12.7686 14.2001 14.2001 k = 0.0096 0.6270 0.4824 ( 1726 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8295 -4.8295 -2.8543 -2.8543 -2.6865 -2.6865 -2.5823 -2.5823 1.8518 1.8518 2.4847 2.4847 2.9010 2.9010 3.5646 3.5646 10.1162 10.1162 11.7297 11.7297 12.7588 12.7588 14.2137 14.2137 k = 0.0192 0.6324 0.4756 ( 1726 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8296 -4.8296 -2.8542 -2.8542 -2.6871 -2.6871 -2.5823 -2.5823 1.8534 1.8534 2.4834 2.4834 2.8893 2.8893 3.5801 3.5801 10.1174 10.1174 11.7201 11.7201 12.7305 12.7305 14.2531 14.2531 k = 0.0289 0.6378 0.4687 ( 1730 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8298 -4.8298 -2.8540 -2.8540 -2.6881 -2.6881 -2.5823 -2.5823 1.8559 1.8559 2.4813 2.4813 2.8711 2.8711 3.6045 3.6045 10.1195 10.1195 11.7045 11.7045 12.6864 12.6864 14.3157 14.3157 k = 0.0385 0.6431 0.4619 ( 1730 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8300 -4.8300 -2.8537 -2.8537 -2.6895 -2.6895 -2.5824 -2.5824 1.8594 1.8594 2.4783 2.4783 2.8479 2.8479 3.6364 3.6364 10.1222 10.1222 11.6832 11.6832 12.6299 12.6299 14.3978 14.3978 k = 0.0481 0.6485 0.4551 ( 1726 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8304 -4.8304 -2.8534 -2.8534 -2.6913 -2.6913 -2.5824 -2.5824 1.8638 1.8638 2.4746 2.4746 2.8209 2.8209 3.6742 3.6742 10.1255 10.1255 11.6567 11.6567 12.5647 12.5647 14.4960 14.4960 k = 0.0577 0.6539 0.4482 ( 1726 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8307 -4.8307 -2.8529 -2.8529 -2.6934 -2.6934 -2.5824 -2.5824 1.8693 1.8693 2.4700 2.4700 2.7916 2.7916 3.7166 3.7166 10.1294 10.1294 11.6258 11.6258 12.4934 12.4934 14.6072 14.6072 k = 0.0673 0.6593 0.4414 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8312 -4.8312 -2.8524 -2.8524 -2.6959 -2.6959 -2.5824 -2.5824 1.8756 1.8756 2.4646 2.4646 2.7609 2.7609 3.7623 3.7623 10.1337 10.1337 11.5913 11.5913 12.4183 12.4183 14.7292 14.7292 k = 0.0770 0.6646 0.4346 ( 1728 PWs) bands (ev): -15.3883 -15.3883 -4.9898 -4.9898 -4.8317 -4.8317 -2.8518 -2.8518 -2.6988 -2.6988 -2.5825 -2.5825 1.8828 1.8828 2.4584 2.4584 2.7297 2.7297 3.8103 3.8103 10.1382 10.1382 11.5541 11.5541 12.3412 12.3412 14.8602 14.8602 k = 0.0866 0.6700 0.4277 ( 1728 PWs) bands (ev): -15.3884 -15.3884 -4.9898 -4.9898 -4.8322 -4.8322 -2.8511 -2.8511 -2.7019 -2.7019 -2.5825 -2.5825 1.8909 1.8909 2.4514 2.4514 2.6986 2.6986 3.8598 3.8598 10.1427 10.1427 11.5150 11.5150 12.2633 12.2633 14.9987 14.9987 k = 0.0962 0.6754 0.4209 ( 1732 PWs) bands (ev): -15.3884 -15.3884 -4.9898 -4.9898 -4.8328 -4.8328 -2.8503 -2.8503 -2.7054 -2.7054 -2.5825 -2.5825 1.8998 1.8998 2.4437 2.4437 2.6680 2.6680 3.9101 3.9101 10.1470 10.1470 11.4751 11.4751 12.1856 12.1856 15.1439 15.1439 k = 0.1058 0.6808 0.4141 ( 1732 PWs) bands (ev): -15.3884 -15.3884 -4.9898 -4.9898 -4.8335 -4.8335 -2.8493 -2.8493 -2.7091 -2.7091 -2.5825 -2.5825 1.9095 1.9095 2.4353 2.4353 2.6384 2.6384 3.9605 3.9605 10.1508 10.1508 11.4354 11.4354 12.1090 12.1090 15.2947 15.2947 k = 0.1154 0.6861 0.4072 ( 1736 PWs) bands (ev): -15.3884 -15.3884 -4.9898 -4.9898 -4.8341 -4.8341 -2.8483 -2.8483 -2.7131 -2.7131 -2.5825 -2.5825 1.9198 1.9198 2.4263 2.4263 2.6099 2.6099 4.0104 4.0104 10.1539 10.1539 11.3967 11.3967 12.0340 12.0340 15.4508 15.4508 k = 0.1251 0.6915 0.4004 ( 1732 PWs) bands (ev): -15.3885 -15.3885 -4.9898 -4.9898 -4.8348 -4.8348 -2.8470 -2.8470 -2.7173 -2.7173 -2.5824 -2.5824 1.9308 1.9308 2.4165 2.4165 2.5828 2.5828 4.0593 4.0593 10.1558 10.1558 11.3600 11.3600 11.9615 11.9615 15.6116 15.6116 k = 0.1347 0.6969 0.3936 ( 1736 PWs) bands (ev): -15.3885 -15.3885 -4.9898 -4.9898 -4.8355 -4.8355 -2.8457 -2.8457 -2.7217 -2.7217 -2.5823 -2.5823 1.9424 1.9424 2.4062 2.4062 2.5573 2.5573 4.1068 4.1068 10.1563 10.1563 11.3260 11.3260 11.8919 11.8919 15.7766 15.7766 k = 0.1443 0.7023 0.3867 ( 1736 PWs) bands (ev): -15.3886 -15.3886 -4.9898 -4.9898 -4.8363 -4.8363 -2.8442 -2.8442 -2.7263 -2.7263 -2.5822 -2.5822 1.9546 1.9546 2.3954 2.3954 2.5335 2.5335 4.1522 4.1522 10.1551 10.1551 11.2954 11.2954 11.8260 11.8260 15.9457 15.9457 k = 0.1539 0.7077 0.3799 ( 1740 PWs) bands (ev): -15.3887 -15.3887 -4.9899 -4.9899 -4.8370 -4.8370 -2.8425 -2.8425 -2.7310 -2.7310 -2.5821 -2.5821 1.9672 1.9672 2.3841 2.3841 2.5114 2.5114 4.1953 4.1953 10.1520 10.1520 11.2687 11.2687 11.7645 11.7645 16.1185 16.1185 k = 0.1635 0.7130 0.3731 ( 1736 PWs) bands (ev): -15.3887 -15.3887 -4.9898 -4.9898 -4.8377 -4.8377 -2.8407 -2.8407 -2.7357 -2.7357 -2.5820 -2.5820 1.9802 1.9802 2.3723 2.3723 2.4911 2.4911 4.2355 4.2355 10.1467 10.1467 11.2460 11.2460 11.7083 11.7083 16.2949 16.2949 k = 0.1732 0.7184 0.3662 ( 1740 PWs) bands (ev): -15.3888 -15.3888 -4.9899 -4.9899 -4.8384 -4.8384 -2.8388 -2.8388 -2.7406 -2.7406 -2.5818 -2.5818 1.9936 1.9936 2.3602 2.3602 2.4728 2.4728 4.2723 4.2723 10.1393 10.1393 11.2272 11.2272 11.6584 11.6584 16.4745 16.4745 k = 0.1828 0.7238 0.3594 ( 1740 PWs) bands (ev): -15.3889 -15.3889 -4.9899 -4.9899 -4.8391 -4.8391 -2.8366 -2.8366 -2.7454 -2.7454 -2.5816 -2.5816 2.0071 2.0071 2.3478 2.3478 2.4565 2.4565 4.3055 4.3055 10.1296 10.1296 11.2119 11.2119 11.6159 11.6159 16.6574 16.6574 k = 0.1924 0.7292 0.3526 ( 1744 PWs) bands (ev): -15.3891 -15.3891 -4.9899 -4.9899 -4.8398 -4.8398 -2.8343 -2.8343 -2.7504 -2.7504 -2.5814 -2.5814 2.0208 2.0208 2.3351 2.3351 2.4422 2.4422 4.3347 4.3347 10.1178 10.1178 11.1995 11.1995 11.5821 11.5821 16.8432 16.8432 k = 0.2020 0.7345 0.3457 ( 1744 PWs) bands (ev): -15.3892 -15.3892 -4.9899 -4.9899 -4.8405 -4.8405 -2.8318 -2.8318 -2.7553 -2.7553 -2.5812 -2.5812 2.0346 2.0346 2.3222 2.3222 2.4301 2.4301 4.3595 4.3595 10.1041 10.1041 11.1890 11.1890 11.5583 11.5583 17.0318 17.0318 k = 0.2116 0.7399 0.3389 ( 1744 PWs) bands (ev): -15.3893 -15.3893 -4.9898 -4.9898 -4.8411 -4.8411 -2.8292 -2.8292 -2.7601 -2.7601 -2.5809 -2.5809 2.0482 2.0482 2.3092 2.3092 2.4201 2.4201 4.3796 4.3796 10.0887 10.0887 11.1797 11.1797 11.5455 11.5455 17.2230 17.2230 k = 0.7884-0.1810 0.2299 ( 1744 PWs) bands (ev): -15.3893 -15.3893 -4.9898 -4.9898 -4.8411 -4.8411 -2.8292 -2.8292 -2.7601 -2.7601 -2.5809 -2.5809 2.0482 2.0482 2.3092 2.3092 2.4201 2.4201 4.3796 4.3796 10.0887 10.0887 11.1797 11.1797 11.5455 11.5455 17.2230 17.2230 k = 0.7787-0.1863 0.2368 ( 1742 PWs) bands (ev): -15.3895 -15.3895 -4.9898 -4.9898 -4.8417 -4.8417 -2.8263 -2.8263 -2.7649 -2.7649 -2.5806 -2.5806 2.0616 2.0616 2.2961 2.2961 2.4125 2.4125 4.3948 4.3948 10.0717 10.0717 11.1714 11.1714 11.5440 11.5440 17.4163 17.4163 k = 0.7691-0.1917 0.2436 ( 1738 PWs) bands (ev): -15.3897 -15.3897 -4.9897 -4.9897 -4.8423 -4.8423 -2.8233 -2.8233 -2.7696 -2.7696 -2.5803 -2.5803 2.0744 2.0744 2.2832 2.2832 2.4072 2.4072 4.4049 4.4049 10.0535 10.0535 11.1645 11.1645 11.5537 11.5537 17.6113 17.6113 k = 0.7595-0.1971 0.2504 ( 1740 PWs) bands (ev): -15.3899 -15.3899 -4.9897 -4.9897 -4.8428 -4.8428 -2.8202 -2.8202 -2.7742 -2.7742 -2.5800 -2.5800 2.0866 2.0866 2.2707 2.2707 2.4041 2.4041 4.4098 4.4098 10.0343 10.0343 11.1596 11.1596 11.5737 11.5737 17.8069 17.8069 k = 0.7499-0.2025 0.2573 ( 1740 PWs) bands (ev): -15.3900 -15.3900 -4.9896 -4.9896 -4.8433 -4.8433 -2.8169 -2.8169 -2.7787 -2.7787 -2.5797 -2.5797 2.0975 2.0975 2.2591 2.2591 2.4035 2.4035 4.4094 4.4094 10.0141 10.0141 11.1579 11.1579 11.6030 11.6030 17.9990 17.9990 k = 0.7403-0.2078 0.2641 ( 1742 PWs) bands (ev): -15.3903 -15.3903 -4.9896 -4.9896 -4.8438 -4.8438 -2.8136 -2.8136 -2.7830 -2.7830 -2.5793 -2.5793 2.1068 2.1068 2.2488 2.2488 2.4051 2.4051 4.4037 4.4037 9.9933 9.9933 11.1603 11.1603 11.6404 11.6404 18.1642 18.1642 k = 0.7307-0.2132 0.2709 ( 1738 PWs) bands (ev): -15.3905 -15.3905 -4.9895 -4.9895 -4.8442 -4.8442 -2.8100 -2.8100 -2.7872 -2.7872 -2.5789 -2.5789 2.1136 2.1136 2.2407 2.2407 2.4092 2.4092 4.3927 4.3927 9.9718 9.9718 11.1675 11.1675 11.6851 11.6851 18.1587 18.1587 k = 0.7211-0.2186 0.2777 ( 1744 PWs) bands (ev): -15.3907 -15.3907 -4.9894 -4.9894 -4.8446 -4.8446 -2.8064 -2.8064 -2.7912 -2.7912 -2.5785 -2.5785 2.1170 2.1170 2.2357 2.2357 2.4155 2.4155 4.3766 4.3766 9.9499 9.9499 11.1801 11.1801 11.7361 11.7361 17.9975 17.9975 k = 0.7115-0.2240 0.2846 ( 1744 PWs) bands (ev): -15.3910 -15.3910 -4.9894 -4.9894 -4.8449 -4.8449 -2.8028 -2.8028 -2.7950 -2.7950 -2.5781 -2.5781 2.1165 2.1165 2.2343 2.2343 2.4242 2.4242 4.3555 4.3555 9.9276 9.9276 11.1984 11.1984 11.7927 11.7927 17.8136 17.8136 k = 0.7018-0.2293 0.2914 ( 1736 PWs) bands (ev): -15.3912 -15.3912 -4.9892 -4.9892 -4.8452 -4.8452 -2.7991 -2.7991 -2.7984 -2.7984 -2.5776 -2.5776 2.1122 2.1122 2.2365 2.2365 2.4352 2.4352 4.3296 4.3296 9.9051 9.9051 11.2225 11.2225 11.8544 11.8544 17.6269 17.6269 k = 0.6922-0.2347 0.2982 ( 1740 PWs) bands (ev): -15.3915 -15.3915 -4.9892 -4.9892 -4.8454 -4.8454 -2.8021 -2.8021 -2.7951 -2.7951 -2.5772 -2.5772 2.1047 2.1047 2.2417 2.2417 2.4484 2.4484 4.2992 4.2992 9.8826 9.8826 11.2521 11.2521 11.9207 11.9207 17.4408 17.4408 k = 0.6826-0.2401 0.3050 ( 1742 PWs) bands (ev): -15.3917 -15.3917 -4.9891 -4.9891 -4.8456 -4.8456 -2.8054 -2.8054 -2.7913 -2.7913 -2.5767 -2.5767 2.0950 2.0950 2.2488 2.2488 2.4640 2.4640 4.2646 4.2646 9.8602 9.8602 11.2872 11.2872 11.9912 11.9912 17.2566 17.2566 k = 0.6730-0.2454 0.3119 ( 1748 PWs) bands (ev): -15.3920 -15.3920 -4.9890 -4.9890 -4.8458 -4.8458 -2.8084 -2.8084 -2.7875 -2.7875 -2.5763 -2.5763 2.0840 2.0840 2.2572 2.2572 2.4818 2.4818 4.2261 4.2261 9.8381 9.8381 11.3271 11.3271 12.0654 12.0654 17.0748 17.0748 k = 0.6634-0.2508 0.3187 ( 1748 PWs) bands (ev): -15.3923 -15.3923 -4.9889 -4.9889 -4.8459 -4.8459 -2.8113 -2.8113 -2.7837 -2.7837 -2.5758 -2.5758 2.0722 2.0722 2.2662 2.2662 2.5019 2.5019 4.1840 4.1840 9.8164 9.8164 11.3716 11.3716 12.1431 12.1431 16.8957 16.8957 k = 0.6538-0.2562 0.3255 ( 1742 PWs) bands (ev): -15.3925 -15.3925 -4.9888 -4.9888 -4.8460 -4.8460 -2.8139 -2.8139 -2.7799 -2.7799 -2.5753 -2.5753 2.0601 2.0601 2.2754 2.2754 2.5242 2.5242 4.1388 4.1388 9.7953 9.7953 11.4198 11.4198 12.2239 12.2239 16.7196 16.7196 k = 0.6442-0.2616 0.3323 ( 1752 PWs) bands (ev): -15.3928 -15.3928 -4.9887 -4.9887 -4.8461 -4.8461 -2.8164 -2.8164 -2.7763 -2.7763 -2.5749 -2.5749 2.0479 2.0479 2.2846 2.2846 2.5486 2.5486 4.0907 4.0907 9.7749 9.7749 11.4713 11.4713 12.3076 12.3076 16.5465 16.5465 k = 0.6346-0.2669 0.3392 ( 1756 PWs) bands (ev): -15.3931 -15.3931 -4.9887 -4.9887 -4.8461 -4.8461 -2.8187 -2.8187 -2.7727 -2.7727 -2.5744 -2.5744 2.0360 2.0360 2.2937 2.2937 2.5751 2.5751 4.0403 4.0403 9.7554 9.7554 11.5254 11.5254 12.3936 12.3936 16.3769 16.3769 k = 0.6250-0.2723 0.3460 ( 1752 PWs) bands (ev): -15.3933 -15.3933 -4.9886 -4.9886 -4.8461 -4.8461 -2.8207 -2.8207 -2.7693 -2.7693 -2.5739 -2.5739 2.0244 2.0244 2.3024 2.3024 2.6037 2.6037 3.9878 3.9878 9.7368 9.7368 11.5811 11.5811 12.4819 12.4819 16.2109 16.2109 k = 0.6153-0.2777 0.3528 ( 1758 PWs) bands (ev): -15.3935 -15.3935 -4.9885 -4.9885 -4.8461 -4.8461 -2.8226 -2.8226 -2.7660 -2.7660 -2.5734 -2.5734 2.0132 2.0132 2.3107 2.3107 2.6342 2.6342 3.9336 3.9336 9.7193 9.7193 11.6378 11.6378 12.5719 12.5719 16.0488 16.0488 k = 0.6057-0.2830 0.3596 ( 1762 PWs) bands (ev): -15.3938 -15.3938 -4.9884 -4.9884 -4.8461 -4.8461 -2.8243 -2.8243 -2.7628 -2.7628 -2.5730 -2.5730 2.0026 2.0026 2.3186 2.3186 2.6667 2.6667 3.8783 3.8783 9.7029 9.7029 11.6947 11.6947 12.6632 12.6632 15.8909 15.8909 k = 0.5961-0.2884 0.3665 ( 1762 PWs) bands (ev): -15.3940 -15.3940 -4.9884 -4.9884 -4.8460 -4.8460 -2.8259 -2.8259 -2.7599 -2.7599 -2.5725 -2.5725 1.9927 1.9927 2.3258 2.3258 2.7010 2.7010 3.8221 3.8221 9.6878 9.6878 11.7508 11.7508 12.7555 12.7555 15.7377 15.7377 k = 0.5865-0.2938 0.3733 ( 1762 PWs) bands (ev): -15.3942 -15.3942 -4.9883 -4.9883 -4.8459 -4.8459 -2.8272 -2.8272 -2.7571 -2.7571 -2.5721 -2.5721 1.9836 1.9836 2.3326 2.3326 2.7369 2.7369 3.7655 3.7655 9.6739 9.6739 11.8054 11.8054 12.8481 12.8481 15.5897 15.5897 k = 0.5769-0.2992 0.3801 ( 1762 PWs) bands (ev): -15.3944 -15.3944 -4.9882 -4.9882 -4.8459 -4.8459 -2.8284 -2.8284 -2.7546 -2.7546 -2.5717 -2.5717 1.9752 1.9752 2.3386 2.3386 2.7742 2.7742 3.7090 3.7090 9.6614 9.6614 11.8574 11.8574 12.9403 12.9403 15.4477 15.4477 k = 0.5673-0.3045 0.3870 ( 1762 PWs) bands (ev): -15.3946 -15.3946 -4.9882 -4.9882 -4.8458 -4.8458 -2.8294 -2.8294 -2.7524 -2.7524 -2.5713 -2.5713 1.9677 1.9677 2.3441 2.3441 2.8126 2.8126 3.6530 3.6530 9.6503 9.6503 11.9060 11.9060 13.0313 13.0313 15.3125 15.3125 k = 0.5577-0.3099 0.3938 ( 1764 PWs) bands (ev): -15.3947 -15.3947 -4.9881 -4.9881 -4.8457 -4.8457 -2.8303 -2.8303 -2.7504 -2.7504 -2.5710 -2.5710 1.9611 1.9611 2.3488 2.3488 2.8518 2.8518 3.5983 3.5983 9.6406 9.6406 11.9504 11.9504 13.1197 13.1197 15.1854 15.1854 k = 0.5481-0.3153 0.4006 ( 1764 PWs) bands (ev): -15.3948 -15.3948 -4.9881 -4.9881 -4.8457 -4.8457 -2.8311 -2.8311 -2.7487 -2.7487 -2.5707 -2.5707 1.9554 1.9554 2.3529 2.3529 2.8911 2.8911 3.5455 3.5455 9.6323 9.6323 11.9896 11.9896 13.2039 13.2039 15.0684 15.0684 k = 0.5384-0.3207 0.4074 ( 1764 PWs) bands (ev): -15.3949 -15.3949 -4.9881 -4.9881 -4.8456 -4.8456 -2.8317 -2.8317 -2.7473 -2.7473 -2.5704 -2.5704 1.9508 1.9508 2.3562 2.3562 2.9294 2.9294 3.4959 3.4959 9.6255 9.6255 12.0229 12.0229 13.2814 13.2814 14.9639 14.9639 k = 0.5288-0.3260 0.4143 ( 1764 PWs) bands (ev): -15.3950 -15.3950 -4.9880 -4.9880 -4.8456 -4.8456 -2.8321 -2.8321 -2.7462 -2.7462 -2.5702 -2.5702 1.9471 1.9471 2.3588 2.3588 2.9652 2.9652 3.4513 3.4513 9.6202 9.6202 12.0496 12.0496 13.3490 13.3490 14.8752 14.8752 k = 0.5192-0.3314 0.4211 ( 1760 PWs) bands (ev): -15.3951 -15.3951 -4.9880 -4.9880 -4.8455 -4.8455 -2.8324 -2.8324 -2.7454 -2.7454 -2.5701 -2.5701 1.9445 1.9445 2.3607 2.3607 2.9958 2.9958 3.4143 3.4143 9.6165 9.6165 12.0691 12.0691 13.4024 13.4024 14.8066 14.8066 k = 0.5096-0.3368 0.4279 ( 1764 PWs) bands (ev): -15.3951 -15.3951 -4.9880 -4.9880 -4.8455 -4.8455 -2.8326 -2.8326 -2.7449 -2.7449 -2.5700 -2.5700 1.9429 1.9429 2.3618 2.3618 3.0171 3.0171 3.3890 3.3890 9.6142 9.6142 12.0810 12.0810 13.4371 13.4371 14.7628 14.7628 k = 0.5000-0.3421 0.4347 ( 1760 PWs) bands (ev): -15.3951 -15.3951 -4.9880 -4.9880 -4.8455 -4.8455 -2.8327 -2.8327 -2.7447 -2.7447 -2.5700 -2.5700 1.9423 1.9423 2.3622 2.3622 3.0250 3.0250 3.3799 3.3799 9.6134 9.6134 12.0850 12.0850 13.4492 13.4492 14.7477 14.7477 k = 0.5000 0.2795 0.2844 ( 1744 PWs) bands (ev): -15.3872 -15.3872 -5.0243 -5.0243 -4.9639 -4.9639 -2.9599 -2.9599 -2.8297 -2.8297 -2.7449 -2.7449 0.5518 0.5518 3.2907 3.2907 3.4248 3.4248 5.8477 5.8477 7.6165 7.6165 12.0772 12.0772 14.1865 14.1865 16.9406 16.9406 k = 0.4900 0.2739 0.2787 ( 1740 PWs) bands (ev): -15.3873 -15.3873 -5.0242 -5.0242 -4.9639 -4.9639 -2.9597 -2.9597 -2.8296 -2.8296 -2.7449 -2.7449 0.5517 0.5517 3.2906 3.2906 3.4243 3.4243 5.8399 5.8399 7.6266 7.6266 12.0792 12.0792 14.1883 14.1883 16.9403 16.9403 k = 0.4800 0.2683 0.2731 ( 1741 PWs) bands (ev): -15.3875 -15.3875 -5.0242 -5.0242 -4.9639 -4.9639 -2.9591 -2.9591 -2.8296 -2.8296 -2.7451 -2.7451 0.5515 0.5515 3.2902 3.2902 3.4229 3.4229 5.8171 5.8171 7.6564 7.6564 12.0852 12.0852 14.1937 14.1937 16.9396 16.9396 k = 0.4700 0.2627 0.2674 ( 1741 PWs) bands (ev): -15.3879 -15.3879 -5.0240 -5.0240 -4.9639 -4.9639 -2.9582 -2.9582 -2.8296 -2.8296 -2.7455 -2.7455 0.5512 0.5512 3.2897 3.2897 3.4206 3.4206 5.7807 5.7807 7.7044 7.7044 12.0952 12.0952 14.2026 14.2026 16.9385 16.9385 k = 0.4600 0.2571 0.2617 ( 1742 PWs) bands (ev): -15.3885 -15.3885 -5.0238 -5.0238 -4.9638 -4.9638 -2.9570 -2.9570 -2.8296 -2.8296 -2.7460 -2.7460 0.5508 0.5508 3.2890 3.2890 3.4173 3.4173 5.7325 5.7325 7.7688 7.7688 12.1091 12.1091 14.2151 14.2151 16.9369 16.9369 k = 0.4500 0.2515 0.2560 ( 1744 PWs) bands (ev): -15.3892 -15.3892 -5.0235 -5.0235 -4.9638 -4.9638 -2.9554 -2.9554 -2.8297 -2.8297 -2.7467 -2.7467 0.5503 0.5503 3.2881 3.2881 3.4131 3.4131 5.6748 5.6748 7.8473 7.8473 12.1270 12.1270 14.2312 14.2312 16.9350 16.9350 k = 0.4400 0.2459 0.2503 ( 1743 PWs) bands (ev): -15.3900 -15.3900 -5.0232 -5.0232 -4.9638 -4.9638 -2.9535 -2.9535 -2.8297 -2.8297 -2.7474 -2.7474 0.5498 0.5498 3.2870 3.2870 3.4080 3.4080 5.6095 5.6095 7.9379 7.9379 12.1488 12.1488 14.2508 14.2508 16.9329 16.9329 k = 0.4300 0.2403 0.2446 ( 1743 PWs) bands (ev): -15.3910 -15.3910 -5.0228 -5.0228 -4.9637 -4.9637 -2.9512 -2.9512 -2.8297 -2.8297 -2.7483 -2.7483 0.5493 0.5493 3.2856 3.2856 3.4020 3.4020 5.5383 5.5383 8.0389 8.0389 12.1745 12.1745 14.2738 14.2738 16.9306 16.9306 k = 0.4200 0.2348 0.2389 ( 1745 PWs) bands (ev): -15.3922 -15.3922 -5.0223 -5.0223 -4.9637 -4.9637 -2.9487 -2.9487 -2.8297 -2.8297 -2.7493 -2.7493 0.5488 0.5488 3.2841 3.2841 3.3951 3.3951 5.4629 5.4629 8.1486 8.1486 12.2042 12.2042 14.3002 14.3002 16.9283 16.9283 k = 0.4100 0.2292 0.2332 ( 1740 PWs) bands (ev): -15.3934 -15.3934 -5.0218 -5.0218 -4.9636 -4.9636 -2.9458 -2.9458 -2.8297 -2.8297 -2.7503 -2.7503 0.5484 0.5484 3.2824 3.2824 3.3875 3.3875 5.3842 5.3842 8.2659 8.2659 12.2377 12.2377 14.3300 14.3300 16.9261 16.9261 k = 0.4000 0.2236 0.2275 ( 1737 PWs) bands (ev): -15.3949 -15.3949 -5.0213 -5.0213 -4.9636 -4.9636 -2.9426 -2.9426 -2.8297 -2.8297 -2.7515 -2.7515 0.5481 0.5481 3.2805 3.2805 3.3791 3.3791 5.3034 5.3034 8.3898 8.3898 12.2750 12.2750 14.3632 14.3632 16.9242 16.9242 k = 0.3900 0.2180 0.2219 ( 1736 PWs) bands (ev): -15.3964 -15.3964 -5.0207 -5.0207 -4.9635 -4.9635 -2.9392 -2.9392 -2.8298 -2.8298 -2.7528 -2.7528 0.5480 0.5480 3.2784 3.2784 3.3699 3.3699 5.2211 5.2211 8.5193 8.5193 12.3161 12.3161 14.3995 14.3995 16.9226 16.9226 k = 0.3800 0.2124 0.2162 ( 1737 PWs) bands (ev): -15.3981 -15.3981 -5.0201 -5.0201 -4.9634 -4.9634 -2.9356 -2.9356 -2.8298 -2.8298 -2.7541 -2.7541 0.5482 0.5482 3.2761 3.2761 3.3601 3.3601 5.1378 5.1378 8.6540 8.6540 12.3610 12.3610 14.4391 14.4391 16.9215 16.9215 k = 0.3700 0.2068 0.2105 ( 1738 PWs) bands (ev): -15.3998 -15.3998 -5.0195 -5.0195 -4.9634 -4.9634 -2.9318 -2.9318 -2.8299 -2.8299 -2.7554 -2.7554 0.5486 0.5486 3.2737 3.2737 3.3496 3.3496 5.0541 5.0541 8.7932 8.7932 12.4097 12.4097 14.4817 14.4817 16.9211 16.9211 k = 0.3600 0.2012 0.2048 ( 1741 PWs) bands (ev): -15.4017 -15.4017 -5.0188 -5.0188 -4.9634 -4.9634 -2.9277 -2.9277 -2.8301 -2.8301 -2.7568 -2.7568 0.5495 0.5495 3.2710 3.2710 3.3385 3.3385 4.9703 4.9703 8.9365 8.9365 12.4620 12.4620 14.5274 14.5274 16.9216 16.9216 k = 0.3500 0.1956 0.1991 ( 1741 PWs) bands (ev): -15.4037 -15.4037 -5.0182 -5.0182 -4.9633 -4.9633 -2.9235 -2.9235 -2.8302 -2.8302 -2.7582 -2.7582 0.5507 0.5507 3.2680 3.2680 3.3269 3.3269 4.8866 4.8866 9.0835 9.0835 12.5180 12.5180 14.5760 14.5760 16.9230 16.9230 k = 0.3400 0.1900 0.1934 ( 1741 PWs) bands (ev): -15.4058 -15.4058 -5.0175 -5.0175 -4.9633 -4.9633 -2.9192 -2.9192 -2.8304 -2.8304 -2.7596 -2.7596 0.5524 0.5524 3.2648 3.2648 3.3149 3.3149 4.8034 4.8034 9.2339 9.2339 12.5777 12.5777 14.6274 14.6274 16.9255 16.9255 k = 0.3300 0.1845 0.1877 ( 1741 PWs) bands (ev): -15.4080 -15.4080 -5.0168 -5.0168 -4.9633 -4.9633 -2.9147 -2.9147 -2.8306 -2.8306 -2.7609 -2.7609 0.5547 0.5547 3.2613 3.2613 3.3026 3.3026 4.7207 4.7207 9.3872 9.3872 12.6409 12.6409 14.6816 14.6816 16.9293 16.9293 k = 0.3200 0.1789 0.1820 ( 1742 PWs) bands (ev): -15.4102 -15.4102 -5.0162 -5.0162 -4.9632 -4.9632 -2.9102 -2.9102 -2.8309 -2.8309 -2.7621 -2.7621 0.5576 0.5576 3.2571 3.2571 3.2903 3.2903 4.6388 4.6388 9.5433 9.5433 12.7078 12.7078 14.7384 14.7384 16.9346 16.9346 k = 0.3100 0.1733 0.1763 ( 1742 PWs) bands (ev): -15.4125 -15.4125 -5.0155 -5.0155 -4.9632 -4.9632 -2.9057 -2.9057 -2.8312 -2.8312 -2.7633 -2.7633 0.5611 0.5611 3.2519 3.2519 3.2786 3.2786 4.5577 4.5577 9.7017 9.7017 12.7782 12.7782 14.7978 14.7978 16.9414 16.9414 k = 0.3000 0.1677 0.1707 ( 1744 PWs) bands (ev): -15.4149 -15.4149 -5.0149 -5.0149 -4.9632 -4.9632 -2.9011 -2.9011 -2.8316 -2.8316 -2.7644 -2.7644 0.5653 0.5653 3.2448 3.2448 3.2683 3.2683 4.4776 4.4776 9.8623 9.8623 12.8522 12.8522 14.8596 14.8596 16.9499 16.9499 k = 0.2900 0.1621 0.1650 ( 1744 PWs) bands (ev): -15.4173 -15.4173 -5.0143 -5.0143 -4.9632 -4.9632 -2.8966 -2.8966 -2.8321 -2.8321 -2.7653 -2.7653 0.5702 0.5702 3.2350 3.2350 3.2603 3.2603 4.3987 4.3987 10.0247 10.0247 12.9298 12.9298 14.9236 14.9236 16.9603 16.9603 k = 0.2800 0.1565 0.1593 ( 1741 PWs) bands (ev): -15.4197 -15.4197 -5.0137 -5.0137 -4.9632 -4.9632 -2.8921 -2.8921 -2.8326 -2.8326 -2.7660 -2.7660 0.5759 0.5759 3.2228 3.2228 3.2543 3.2543 4.3209 4.3209 10.1885 10.1885 13.0109 13.0109 14.9899 14.9899 16.9726 16.9726 k = 0.2700 0.1509 0.1536 ( 1742 PWs) bands (ev): -15.4222 -15.4222 -5.0131 -5.0131 -4.9632 -4.9632 -2.8878 -2.8878 -2.8331 -2.8331 -2.7666 -2.7666 0.5825 0.5825 3.2091 3.2091 3.2494 3.2494 4.2444 4.2444 10.3535 10.3535 13.0957 13.0957 15.0582 15.0582 16.9870 16.9870 k = 0.2600 0.1453 0.1479 ( 1744 PWs) bands (ev): -15.4247 -15.4247 -5.0126 -5.0126 -4.9632 -4.9632 -2.8837 -2.8837 -2.8338 -2.8338 -2.7669 -2.7669 0.5898 0.5898 3.1947 3.1947 3.2450 3.2450 4.1692 4.1692 10.5192 10.5192 13.1840 13.1840 15.1285 15.1285 17.0035 17.0035 k = 0.2500 0.1397 0.1422 ( 1744 PWs) bands (ev): -15.4272 -15.4272 -5.0121 -5.0121 -4.9632 -4.9632 -2.8797 -2.8797 -2.8344 -2.8344 -2.7670 -2.7670 0.5980 0.5980 3.1799 3.1799 3.2408 3.2408 4.0956 4.0956 10.6853 10.6853 13.2761 13.2761 15.2006 15.2006 17.0224 17.0224 k = 0.2400 0.1341 0.1365 ( 1740 PWs) bands (ev): -15.4297 -15.4297 -5.0117 -5.0117 -4.9632 -4.9632 -2.8760 -2.8760 -2.8350 -2.8350 -2.7667 -2.7667 0.6070 0.6070 3.1648 3.1648 3.2367 3.2367 4.0235 4.0235 10.8513 10.8513 13.3720 13.3720 15.2743 15.2743 17.0437 17.0437 k = 0.2300 0.1286 0.1308 ( 1746 PWs) bands (ev): -15.4322 -15.4322 -5.0113 -5.0113 -4.9632 -4.9632 -2.8726 -2.8726 -2.8357 -2.8357 -2.7663 -2.7663 0.6168 0.6168 3.1495 3.1495 3.2326 3.2326 3.9531 3.9531 11.0167 11.0167 13.4716 13.4716 15.3496 15.3496 17.0674 17.0674 k = 0.2200 0.1230 0.1251 ( 1745 PWs) bands (ev): -15.4347 -15.4347 -5.0110 -5.0110 -4.9632 -4.9632 -2.8696 -2.8696 -2.8364 -2.8364 -2.7655 -2.7655 0.6274 0.6274 3.1341 3.1341 3.2284 3.2284 3.8846 3.8846 11.1811 11.1811 13.5752 13.5752 15.4263 15.4263 17.0937 17.0937 k = 0.2100 0.1174 0.1195 ( 1742 PWs) bands (ev): -15.4371 -15.4371 -5.0107 -5.0107 -4.9632 -4.9632 -2.8670 -2.8670 -2.8370 -2.8370 -2.7645 -2.7645 0.6389 0.6389 3.1186 3.1186 3.2242 3.2242 3.8181 3.8181 11.3437 11.3437 13.6829 13.6829 15.5043 15.5043 17.1226 17.1226 k = 0.2000 0.1118 0.1138 ( 1745 PWs) bands (ev): -15.4395 -15.4395 -5.0104 -5.0104 -4.9632 -4.9632 -2.8648 -2.8648 -2.8375 -2.8375 -2.7632 -2.7632 0.6511 0.6511 3.1030 3.1030 3.2199 3.2199 3.7537 3.7537 11.5041 11.5041 13.7946 13.7946 15.5835 15.5835 17.1542 17.1542 k = 0.1900 0.1062 0.1081 ( 1744 PWs) bands (ev): -15.4419 -15.4419 -5.0102 -5.0102 -4.9632 -4.9632 -2.8631 -2.8631 -2.8378 -2.8378 -2.7616 -2.7616 0.6640 0.6640 3.0875 3.0875 3.2153 3.2153 3.6918 3.6918 11.6615 11.6615 13.9106 13.9106 15.6636 15.6636 17.1886 17.1886 k = 0.1800 0.1006 0.1024 ( 1743 PWs) bands (ev): -15.4441 -15.4441 -5.0101 -5.0101 -4.9632 -4.9632 -2.8619 -2.8619 -2.8380 -2.8380 -2.7598 -2.7598 0.6775 0.6775 3.0719 3.0719 3.2105 3.2105 3.6324 3.6324 11.8153 11.8153 14.0308 14.0308 15.7447 15.7447 17.2258 17.2258 k = 0.1700 0.0950 0.0967 ( 1744 PWs) bands (ev): -15.4464 -15.4464 -5.0099 -5.0099 -4.9632 -4.9632 -2.8611 -2.8611 -2.8380 -2.8380 -2.7578 -2.7578 0.6916 0.6916 3.0562 3.0562 3.2053 3.2053 3.5760 3.5760 11.9648 11.9648 14.1553 14.1553 15.8266 15.8266 17.2658 17.2658 k = 0.1600 0.0894 0.0910 ( 1744 PWs) bands (ev): -15.4485 -15.4485 -5.0099 -5.0099 -4.9632 -4.9632 -2.8608 -2.8608 -2.8378 -2.8378 -2.7556 -2.7556 0.7061 0.7061 3.0404 3.0404 3.1996 3.1996 3.5228 3.5228 12.1093 12.1093 14.2839 14.2839 15.9092 15.9092 17.3087 17.3087 k = 0.1500 0.0838 0.0853 ( 1744 PWs) bands (ev): -15.4506 -15.4506 -5.0098 -5.0098 -4.9631 -4.9631 -2.8609 -2.8609 -2.8376 -2.8376 -2.7533 -2.7533 0.7210 0.7210 3.0245 3.0245 3.1932 3.1932 3.4734 3.4734 12.2481 12.2481 14.4164 14.4164 15.9925 15.9925 17.3544 17.3544 k = 0.1400 0.0783 0.0796 ( 1745 PWs) bands (ev): -15.4526 -15.4526 -5.0098 -5.0098 -4.9631 -4.9631 -2.8612 -2.8612 -2.8372 -2.8372 -2.7510 -2.7510 0.7361 0.7361 3.0084 3.0084 3.1858 3.1858 3.4282 3.4282 12.3805 12.3805 14.5524 14.5524 16.0764 16.0764 17.4030 17.4030 k = 0.1300 0.0727 0.0740 ( 1745 PWs) bands (ev): -15.4544 -15.4544 -5.0099 -5.0099 -4.9631 -4.9631 -2.8617 -2.8617 -2.8368 -2.8368 -2.7486 -2.7486 0.7513 0.7513 2.9919 2.9919 3.1772 3.1772 3.3879 3.3879 12.5059 12.5059 14.6913 14.6913 16.1609 16.1609 17.4544 17.4544 k = 0.1200 0.0671 0.0683 ( 1745 PWs) bands (ev): -15.4562 -15.4562 -5.0099 -5.0099 -4.9631 -4.9631 -2.8624 -2.8624 -2.8364 -2.8364 -2.7462 -2.7462 0.7665 0.7665 2.9751 2.9751 3.1671 3.1671 3.3529 3.3529 12.6238 12.6238 14.8323 14.8323 16.2461 16.2461 17.5087 17.5087 k = 0.1100 0.0615 0.0626 ( 1744 PWs) bands (ev): -15.4578 -15.4578 -5.0100 -5.0100 -4.9630 -4.9630 -2.8632 -2.8632 -2.8359 -2.8359 -2.7439 -2.7439 0.7814 0.7814 2.9579 2.9579 3.1552 3.1552 3.3238 3.3238 12.7337 12.7337 14.9740 14.9740 16.3321 16.3321 17.5658 17.5658 k = 0.1000 0.0559 0.0569 ( 1746 PWs) bands (ev): -15.4594 -15.4594 -5.0101 -5.0101 -4.9630 -4.9630 -2.8640 -2.8640 -2.8356 -2.8356 -2.7416 -2.7416 0.7960 0.7960 2.9404 2.9404 3.1419 3.1419 3.3005 3.3005 12.8352 12.8352 15.1150 15.1150 16.4189 16.4189 17.6257 17.6257 k = 0.0900 0.0503 0.0512 ( 1741 PWs) bands (ev): -15.4607 -15.4607 -5.0101 -5.0101 -4.9629 -4.9629 -2.8649 -2.8649 -2.8352 -2.8352 -2.7394 -2.7394 0.8099 0.8099 2.9227 2.9227 3.1277 3.1277 3.2825 3.2825 12.9279 12.9279 15.2534 15.2534 16.5068 16.5068 17.6884 17.6884 k = 0.0800 0.0447 0.0455 ( 1740 PWs) bands (ev): -15.4620 -15.4620 -5.0102 -5.0102 -4.9629 -4.9629 -2.8657 -2.8657 -2.8349 -2.8349 -2.7374 -2.7374 0.8232 0.8232 2.9050 2.9050 3.1133 3.1133 3.2689 3.2689 13.0116 13.0116 15.3868 15.3868 16.5957 16.5957 17.7538 17.7538 k = 0.0700 0.0391 0.0398 ( 1740 PWs) bands (ev): -15.4631 -15.4631 -5.0104 -5.0104 -4.9628 -4.9628 -2.8664 -2.8664 -2.8347 -2.8347 -2.7356 -2.7356 0.8354 0.8354 2.8878 2.8878 3.0998 3.0998 3.2588 3.2588 13.0859 13.0859 15.5126 15.5126 16.6854 16.6854 17.8220 17.8220 k = 0.0600 0.0335 0.0341 ( 1740 PWs) bands (ev): -15.4641 -15.4641 -5.0104 -5.0104 -4.9628 -4.9628 -2.8671 -2.8671 -2.8344 -2.8344 -2.7340 -2.7340 0.8465 0.8465 2.8716 2.8716 3.0876 3.0876 3.2512 3.2512 13.1508 13.1508 15.6280 15.6280 16.7752 16.7752 17.8929 17.8929 k = 0.0500 0.0279 0.0284 ( 1736 PWs) bands (ev): -15.4650 -15.4650 -5.0105 -5.0105 -4.9628 -4.9628 -2.8677 -2.8677 -2.8342 -2.8342 -2.7325 -2.7325 0.8563 0.8563 2.8567 2.8567 3.0771 3.0771 3.2456 3.2456 13.2060 13.2060 15.7303 15.7303 16.8632 16.8632 17.9663 17.9663 k = 0.0400 0.0224 0.0228 ( 1735 PWs) bands (ev): -15.4657 -15.4657 -5.0106 -5.0106 -4.9627 -4.9627 -2.8682 -2.8682 -2.8341 -2.8341 -2.7313 -2.7313 0.8645 0.8645 2.8439 2.8439 3.0686 3.0686 3.2415 3.2415 13.2513 13.2513 15.8170 15.8170 16.9465 16.9465 18.0414 18.0414 k = 0.0300 0.0168 0.0171 ( 1736 PWs) bands (ev): -15.4662 -15.4662 -5.0107 -5.0107 -4.9627 -4.9627 -2.8686 -2.8686 -2.8340 -2.8340 -2.7304 -2.7304 0.8711 0.8711 2.8333 2.8333 3.0620 3.0620 3.2385 3.2385 13.2868 13.2868 15.8861 15.8861 17.0206 17.0206 18.1164 18.1164 k = 0.0200 0.0112 0.0114 ( 1737 PWs) bands (ev): -15.4666 -15.4666 -5.0107 -5.0107 -4.9627 -4.9627 -2.8689 -2.8689 -2.8339 -2.8339 -2.7297 -2.7297 0.8759 0.8759 2.8256 2.8256 3.0573 3.0573 3.2365 3.2365 13.3121 13.3121 15.9363 15.9363 17.0799 17.0799 18.1861 18.1861 k = 0.0100 0.0056 0.0057 ( 1737 PWs) bands (ev): -15.4668 -15.4668 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8339 -2.8339 -2.7293 -2.7293 0.8788 0.8788 2.8208 2.8208 3.0545 3.0545 3.2354 3.2354 13.3274 13.3274 15.9667 15.9667 17.1185 17.1185 18.2396 18.2396 k = 0.0000 0.0000 0.0000 ( 1733 PWs) bands (ev): -15.4669 -15.4669 -5.0108 -5.0108 -4.9627 -4.9627 -2.8691 -2.8691 -2.8338 -2.8338 -2.7292 -2.7292 0.8798 0.8798 2.8192 2.8192 3.0536 3.0536 3.2350 3.2350 13.3324 13.3324 15.9768 15.9768 17.1320 17.1320 18.2606 18.2606 Writing output data file TlF.save init_run : 0.13s CPU 0.36s WALL ( 1 calls) electrons : 52.64s CPU 54.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 52.64s CPU 54.12s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 528 calls) cegterg : 48.24s CPU 49.22s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 22.32s CPU 22.98s WALL ( 7906 calls) s_psi : 0.70s CPU 0.70s WALL ( 7906 calls) g_psi : 0.04s CPU 0.06s WALL ( 6812 calls) cdiaghg : 24.71s CPU 25.25s WALL ( 7340 calls) cegterg:over : 1.51s CPU 1.47s WALL ( 6812 calls) cegterg:upda : 1.01s CPU 1.09s WALL ( 6812 calls) cegterg:last : 0.52s CPU 0.46s WALL ( 1179 calls) cdiaghg:chol : 1.15s CPU 1.25s WALL ( 7340 calls) cdiaghg:inve : 0.62s CPU 0.63s WALL ( 7340 calls) cdiaghg:para : 1.43s CPU 1.47s WALL ( 14680 calls) Called by h_psi: h_psi:vloc : 20.73s CPU 21.28s WALL ( 7906 calls) h_psi:vnl : 1.58s CPU 1.66s WALL ( 7906 calls) add_vuspsi : 0.87s CPU 0.88s WALL ( 7906 calls) General routines calbec : 0.69s CPU 0.76s WALL ( 7906 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 19.27s CPU 19.76s WALL ( 467844 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.17s WALL ( 1056 calls) Parallel routines fft_scatter : 9.41s CPU 9.68s WALL ( 467867 calls) PWSCF : 1m 3.33s CPU 1m26.39s WALL This run was terminated on: 18:29:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=