Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:36:46 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H4C3O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 55 31 9 3100 1340 207 Max 56 32 10 3106 1363 211 Sum 1987 1141 329 111697 48673 7519 bravais-lattice index = 14 lattice parameter (alat) = 8.6134 a.u. unit-cell volume = 1118.7191 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.613371 celldm(2)= 1.041466 celldm(3)= 1.788065 celldm(4)= 0.226311 celldm(5)= 0.248521 celldm(6)= 0.136234 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.141883 1.031756 0.000000 ) a(3) = ( 0.444371 0.347359 1.696777 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.137516 -0.233740 ) b(2) = ( 0.000000 0.969222 -0.198416 ) b(3) = ( 0.000000 0.000000 0.589353 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 267 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0687582 -0.1168698), wk = 0.0037453 k( 2) = ( 0.4861111 -0.0668483 -0.1136234), wk = 0.0037453 k( 3) = ( 0.4722222 -0.0649383 -0.1103770), wk = 0.0037453 k( 4) = ( 0.4583333 -0.0630284 -0.1071306), wk = 0.0037453 k( 5) = ( 0.4444444 -0.0611184 -0.1038842), wk = 0.0037453 k( 6) = ( 0.4305556 -0.0592085 -0.1006378), wk = 0.0037453 k( 7) = ( 0.4166667 -0.0572985 -0.0973915), wk = 0.0037453 k( 8) = ( 0.4027778 -0.0553886 -0.0941451), wk = 0.0037453 k( 9) = ( 0.3888889 -0.0534786 -0.0908987), wk = 0.0037453 k( 10) = ( 0.3750000 -0.0515687 -0.0876523), wk = 0.0037453 k( 11) = ( 0.3611111 -0.0496587 -0.0844059), wk = 0.0037453 k( 12) = ( 0.3472222 -0.0477488 -0.0811595), wk = 0.0037453 k( 13) = ( 0.3333333 -0.0458388 -0.0779132), wk = 0.0037453 k( 14) = ( 0.3194444 -0.0439289 -0.0746668), wk = 0.0037453 k( 15) = ( 0.3055556 -0.0420189 -0.0714204), wk = 0.0037453 k( 16) = ( 0.2916667 -0.0401090 -0.0681740), wk = 0.0037453 k( 17) = ( 0.2777778 -0.0381990 -0.0649276), wk = 0.0037453 k( 18) = ( 0.2638889 -0.0362891 -0.0616813), wk = 0.0037453 k( 19) = ( 0.2500000 -0.0343791 -0.0584349), wk = 0.0037453 k( 20) = ( 0.2361111 -0.0324692 -0.0551885), wk = 0.0037453 k( 21) = ( 0.2222222 -0.0305592 -0.0519421), wk = 0.0037453 k( 22) = ( 0.2083333 -0.0286493 -0.0486957), wk = 0.0037453 k( 23) = ( 0.1944444 -0.0267393 -0.0454493), wk = 0.0037453 k( 24) = ( 0.1805556 -0.0248294 -0.0422030), wk = 0.0037453 k( 25) = ( 0.1666667 -0.0229194 -0.0389566), wk = 0.0037453 k( 26) = ( 0.1527778 -0.0210095 -0.0357102), wk = 0.0037453 k( 27) = ( 0.1388889 -0.0190995 -0.0324638), wk = 0.0037453 k( 28) = ( 0.1250000 -0.0171896 -0.0292174), wk = 0.0037453 k( 29) = ( 0.1111111 -0.0152796 -0.0259711), wk = 0.0037453 k( 30) = ( 0.0972222 -0.0133697 -0.0227247), wk = 0.0037453 k( 31) = ( 0.0833333 -0.0114597 -0.0194783), wk = 0.0037453 k( 32) = ( 0.0694444 -0.0095498 -0.0162319), wk = 0.0037453 k( 33) = ( 0.0555556 -0.0076398 -0.0129855), wk = 0.0037453 k( 34) = ( 0.0416667 -0.0057299 -0.0097391), wk = 0.0037453 k( 35) = ( 0.0277778 -0.0038199 -0.0064928), wk = 0.0037453 k( 36) = ( 0.0138889 -0.0019100 -0.0032464), wk = 0.0037453 k( 37) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 38) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 39) = ( 0.0000000 0.0138460 -0.0028345), wk = 0.0037453 k( 40) = ( 0.0000000 0.0276921 -0.0056690), wk = 0.0037453 k( 41) = ( 0.0000000 0.0415381 -0.0085036), wk = 0.0037453 k( 42) = ( 0.0000000 0.0553841 -0.0113381), wk = 0.0037453 k( 43) = ( 0.0000000 0.0692301 -0.0141726), wk = 0.0037453 k( 44) = ( 0.0000000 0.0830762 -0.0170071), wk = 0.0037453 k( 45) = ( 0.0000000 0.0969222 -0.0198416), wk = 0.0037453 k( 46) = ( 0.0000000 0.1107682 -0.0226761), wk = 0.0037453 k( 47) = ( 0.0000000 0.1246142 -0.0255107), wk = 0.0037453 k( 48) = ( 0.0000000 0.1384603 -0.0283452), wk = 0.0037453 k( 49) = ( 0.0000000 0.1523063 -0.0311797), wk = 0.0037453 k( 50) = ( 0.0000000 0.1661523 -0.0340142), wk = 0.0037453 k( 51) = ( 0.0000000 0.1799983 -0.0368487), wk = 0.0037453 k( 52) = ( 0.0000000 0.1938444 -0.0396833), wk = 0.0037453 k( 53) = ( 0.0000000 0.2076904 -0.0425178), wk = 0.0037453 k( 54) = ( 0.0000000 0.2215364 -0.0453523), wk = 0.0037453 k( 55) = ( 0.0000000 0.2353824 -0.0481868), wk = 0.0037453 k( 56) = ( 0.0000000 0.2492285 -0.0510213), wk = 0.0037453 k( 57) = ( 0.0000000 0.2630745 -0.0538558), wk = 0.0037453 k( 58) = ( 0.0000000 0.2769205 -0.0566904), wk = 0.0037453 k( 59) = ( 0.0000000 0.2907665 -0.0595249), wk = 0.0037453 k( 60) = ( 0.0000000 0.3046126 -0.0623594), wk = 0.0037453 k( 61) = ( 0.0000000 0.3184586 -0.0651939), wk = 0.0037453 k( 62) = ( 0.0000000 0.3323046 -0.0680284), wk = 0.0037453 k( 63) = ( 0.0000000 0.3461506 -0.0708630), wk = 0.0037453 k( 64) = ( 0.0000000 0.3599967 -0.0736975), wk = 0.0037453 k( 65) = ( 0.0000000 0.3738427 -0.0765320), wk = 0.0037453 k( 66) = ( 0.0000000 0.3876887 -0.0793665), wk = 0.0037453 k( 67) = ( 0.0000000 0.4015347 -0.0822010), wk = 0.0037453 k( 68) = ( 0.0000000 0.4153808 -0.0850355), wk = 0.0037453 k( 69) = ( 0.0000000 0.4292268 -0.0878701), wk = 0.0037453 k( 70) = ( 0.0000000 0.4430728 -0.0907046), wk = 0.0037453 k( 71) = ( 0.0000000 0.4569188 -0.0935391), wk = 0.0037453 k( 72) = ( 0.0000000 0.4707649 -0.0963736), wk = 0.0037453 k( 73) = ( 0.0000000 0.4846109 -0.0992081), wk = 0.0037453 k( 74) = ( 0.5000000 0.4158527 -0.2160779), wk = 0.0037453 k( 75) = ( 0.4895833 0.4071891 -0.2115763), wk = 0.0037453 k( 76) = ( 0.4791667 0.3985255 -0.2070746), wk = 0.0037453 k( 77) = ( 0.4687500 0.3898619 -0.2025730), wk = 0.0037453 k( 78) = ( 0.4583333 0.3811983 -0.1980714), wk = 0.0037453 k( 79) = ( 0.4479167 0.3725347 -0.1935698), wk = 0.0037453 k( 80) = ( 0.4375000 0.3638711 -0.1890682), wk = 0.0037453 k( 81) = ( 0.4270833 0.3552075 -0.1845665), wk = 0.0037453 k( 82) = ( 0.4166667 0.3465439 -0.1800649), wk = 0.0037453 k( 83) = ( 0.4062500 0.3378803 -0.1755633), wk = 0.0037453 k( 84) = ( 0.3958333 0.3292167 -0.1710617), wk = 0.0037453 k( 85) = ( 0.3854167 0.3205531 -0.1665600), wk = 0.0037453 k( 86) = ( 0.3750000 0.3118895 -0.1620584), wk = 0.0037453 k( 87) = ( 0.3645833 0.3032259 -0.1575568), wk = 0.0037453 k( 88) = ( 0.3541667 0.2945623 -0.1530552), wk = 0.0037453 k( 89) = ( 0.3437500 0.2858987 -0.1485535), wk = 0.0037453 k( 90) = ( 0.3333333 0.2772351 -0.1440519), wk = 0.0037453 k( 91) = ( 0.3229167 0.2685715 -0.1395503), wk = 0.0037453 k( 92) = ( 0.3125000 0.2599079 -0.1350487), wk = 0.0037453 k( 93) = ( 0.3020833 0.2512443 -0.1305471), wk = 0.0037453 k( 94) = ( 0.2916667 0.2425807 -0.1260454), wk = 0.0037453 k( 95) = ( 0.2812500 0.2339171 -0.1215438), wk = 0.0037453 k( 96) = ( 0.2708333 0.2252535 -0.1170422), wk = 0.0037453 k( 97) = ( 0.2604167 0.2165899 -0.1125406), wk = 0.0037453 k( 98) = ( 0.2500000 0.2079263 -0.1080389), wk = 0.0037453 k( 99) = ( 0.2395833 0.1992627 -0.1035373), wk = 0.0037453 k( 100) = ( 0.2291667 0.1905991 -0.0990357), wk = 0.0037453 k( 101) = ( 0.2187500 0.1819355 -0.0945341), wk = 0.0037453 k( 102) = ( 0.2083333 0.1732719 -0.0900325), wk = 0.0037453 k( 103) = ( 0.1979167 0.1646084 -0.0855308), wk = 0.0037453 k( 104) = ( 0.1875000 0.1559448 -0.0810292), wk = 0.0037453 k( 105) = ( 0.1770833 0.1472812 -0.0765276), wk = 0.0037453 k( 106) = ( 0.1666667 0.1386176 -0.0720260), wk = 0.0037453 k( 107) = ( 0.1562500 0.1299540 -0.0675243), wk = 0.0037453 k( 108) = ( 0.1458333 0.1212904 -0.0630227), wk = 0.0037453 k( 109) = ( 0.1354167 0.1126268 -0.0585211), wk = 0.0037453 k( 110) = ( 0.1250000 0.1039632 -0.0540195), wk = 0.0037453 k( 111) = ( 0.1145833 0.0952996 -0.0495178), wk = 0.0037453 k( 112) = ( 0.1041667 0.0866360 -0.0450162), wk = 0.0037453 k( 113) = ( 0.0937500 0.0779724 -0.0405146), wk = 0.0037453 k( 114) = ( 0.0833333 0.0693088 -0.0360130), wk = 0.0037453 k( 115) = ( 0.0729167 0.0606452 -0.0315114), wk = 0.0037453 k( 116) = ( 0.0625000 0.0519816 -0.0270097), wk = 0.0037453 k( 117) = ( 0.0520833 0.0433180 -0.0225081), wk = 0.0037453 k( 118) = ( 0.0416667 0.0346544 -0.0180065), wk = 0.0037453 k( 119) = ( 0.0312500 0.0259908 -0.0135049), wk = 0.0037453 k( 120) = ( 0.0208333 0.0173272 -0.0090032), wk = 0.0037453 k( 121) = ( 0.0104167 0.0086636 -0.0045016), wk = 0.0037453 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 124) = ( 0.0000000 0.0000000 0.0140322), wk = 0.0037453 k( 125) = ( 0.0000000 0.0000000 0.0280644), wk = 0.0037453 k( 126) = ( 0.0000000 0.0000000 0.0420966), wk = 0.0037453 k( 127) = ( 0.0000000 0.0000000 0.0561288), wk = 0.0037453 k( 128) = ( 0.0000000 0.0000000 0.0701610), wk = 0.0037453 k( 129) = ( 0.0000000 0.0000000 0.0841932), wk = 0.0037453 k( 130) = ( 0.0000000 0.0000000 0.0982254), wk = 0.0037453 k( 131) = ( 0.0000000 0.0000000 0.1122577), wk = 0.0037453 k( 132) = ( 0.0000000 0.0000000 0.1262899), wk = 0.0037453 k( 133) = ( 0.0000000 0.0000000 0.1403221), wk = 0.0037453 k( 134) = ( 0.0000000 0.0000000 0.1543543), wk = 0.0037453 k( 135) = ( 0.0000000 0.0000000 0.1683865), wk = 0.0037453 k( 136) = ( 0.0000000 0.0000000 0.1824187), wk = 0.0037453 k( 137) = ( 0.0000000 0.0000000 0.1964509), wk = 0.0037453 k( 138) = ( 0.0000000 0.0000000 0.2104831), wk = 0.0037453 k( 139) = ( 0.0000000 0.0000000 0.2245153), wk = 0.0037453 k( 140) = ( 0.0000000 0.0000000 0.2385475), wk = 0.0037453 k( 141) = ( 0.0000000 0.0000000 0.2525797), wk = 0.0037453 k( 142) = ( 0.0000000 0.0000000 0.2666119), wk = 0.0037453 k( 143) = ( 0.0000000 0.0000000 0.2806441), wk = 0.0037453 k( 144) = ( 0.0000000 0.0000000 0.2946763), wk = 0.0037453 k( 145) = ( 0.5000000 -0.0687582 0.1778066), wk = 0.0037453 k( 146) = ( 0.4864865 -0.0668999 0.1730010), wk = 0.0037453 k( 147) = ( 0.4729730 -0.0650416 0.1681954), wk = 0.0037453 k( 148) = ( 0.4594595 -0.0631832 0.1633898), wk = 0.0037453 k( 149) = ( 0.4459459 -0.0613249 0.1585843), wk = 0.0037453 k( 150) = ( 0.4324324 -0.0594666 0.1537787), wk = 0.0037453 k( 151) = ( 0.4189189 -0.0576082 0.1489731), wk = 0.0037453 k( 152) = ( 0.4054054 -0.0557499 0.1441675), wk = 0.0037453 k( 153) = ( 0.3918919 -0.0538916 0.1393619), wk = 0.0037453 k( 154) = ( 0.3783784 -0.0520332 0.1345563), wk = 0.0037453 k( 155) = ( 0.3648649 -0.0501749 0.1297507), wk = 0.0037453 k( 156) = ( 0.3513514 -0.0483166 0.1249452), wk = 0.0037453 k( 157) = ( 0.3378378 -0.0464583 0.1201396), wk = 0.0037453 k( 158) = ( 0.3243243 -0.0445999 0.1153340), wk = 0.0037453 k( 159) = ( 0.3108108 -0.0427416 0.1105284), wk = 0.0037453 k( 160) = ( 0.2972973 -0.0408833 0.1057228), wk = 0.0037453 k( 161) = ( 0.2837838 -0.0390249 0.1009172), wk = 0.0037453 k( 162) = ( 0.2702703 -0.0371666 0.0961117), wk = 0.0037453 k( 163) = ( 0.2567568 -0.0353083 0.0913061), wk = 0.0037453 k( 164) = ( 0.2432432 -0.0334499 0.0865005), wk = 0.0037453 k( 165) = ( 0.2297297 -0.0315916 0.0816949), wk = 0.0037453 k( 166) = ( 0.2162162 -0.0297333 0.0768893), wk = 0.0037453 k( 167) = ( 0.2027027 -0.0278750 0.0720837), wk = 0.0037453 k( 168) = ( 0.1891892 -0.0260166 0.0672782), wk = 0.0037453 k( 169) = ( 0.1756757 -0.0241583 0.0624726), wk = 0.0037453 k( 170) = ( 0.1621622 -0.0223000 0.0576670), wk = 0.0037453 k( 171) = ( 0.1486486 -0.0204416 0.0528614), wk = 0.0037453 k( 172) = ( 0.1351351 -0.0185833 0.0480558), wk = 0.0037453 k( 173) = ( 0.1216216 -0.0167250 0.0432502), wk = 0.0037453 k( 174) = ( 0.1081081 -0.0148666 0.0384447), wk = 0.0037453 k( 175) = ( 0.0945946 -0.0130083 0.0336391), wk = 0.0037453 k( 176) = ( 0.0810811 -0.0111500 0.0288335), wk = 0.0037453 k( 177) = ( 0.0675676 -0.0092917 0.0240279), wk = 0.0037453 k( 178) = ( 0.0540540 -0.0074333 0.0192223), wk = 0.0037453 k( 179) = ( 0.0405405 -0.0055750 0.0144167), wk = 0.0037453 k( 180) = ( 0.0270270 -0.0037167 0.0096112), wk = 0.0037453 k( 181) = ( 0.0135135 -0.0018583 0.0048056), wk = 0.0037453 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 184) = ( 0.0000000 0.0130976 0.0052829), wk = 0.0037453 k( 185) = ( 0.0000000 0.0261952 0.0105658), wk = 0.0037453 k( 186) = ( 0.0000000 0.0392928 0.0158488), wk = 0.0037453 k( 187) = ( 0.0000000 0.0523904 0.0211317), wk = 0.0037453 k( 188) = ( 0.0000000 0.0654880 0.0264146), wk = 0.0037453 k( 189) = ( 0.0000000 0.0785855 0.0316975), wk = 0.0037453 k( 190) = ( 0.0000000 0.0916831 0.0369805), wk = 0.0037453 k( 191) = ( 0.0000000 0.1047807 0.0422634), wk = 0.0037453 k( 192) = ( 0.0000000 0.1178783 0.0475463), wk = 0.0037453 k( 193) = ( 0.0000000 0.1309759 0.0528292), wk = 0.0037453 k( 194) = ( 0.0000000 0.1440735 0.0581122), wk = 0.0037453 k( 195) = ( 0.0000000 0.1571711 0.0633951), wk = 0.0037453 k( 196) = ( 0.0000000 0.1702687 0.0686780), wk = 0.0037453 k( 197) = ( 0.0000000 0.1833663 0.0739609), wk = 0.0037453 k( 198) = ( 0.0000000 0.1964639 0.0792439), wk = 0.0037453 k( 199) = ( 0.0000000 0.2095615 0.0845268), wk = 0.0037453 k( 200) = ( 0.0000000 0.2226591 0.0898097), wk = 0.0037453 k( 201) = ( 0.0000000 0.2357566 0.0950926), wk = 0.0037453 k( 202) = ( 0.0000000 0.2488542 0.1003756), wk = 0.0037453 k( 203) = ( 0.0000000 0.2619518 0.1056585), wk = 0.0037453 k( 204) = ( 0.0000000 0.2750494 0.1109414), wk = 0.0037453 k( 205) = ( 0.0000000 0.2881470 0.1162243), wk = 0.0037453 k( 206) = ( 0.0000000 0.3012446 0.1215073), wk = 0.0037453 k( 207) = ( 0.0000000 0.3143422 0.1267902), wk = 0.0037453 k( 208) = ( 0.0000000 0.3274398 0.1320731), wk = 0.0037453 k( 209) = ( 0.0000000 0.3405374 0.1373560), wk = 0.0037453 k( 210) = ( 0.0000000 0.3536350 0.1426390), wk = 0.0037453 k( 211) = ( 0.0000000 0.3667326 0.1479219), wk = 0.0037453 k( 212) = ( 0.0000000 0.3798302 0.1532048), wk = 0.0037453 k( 213) = ( 0.0000000 0.3929278 0.1584877), wk = 0.0037453 k( 214) = ( 0.0000000 0.4060253 0.1637707), wk = 0.0037453 k( 215) = ( 0.0000000 0.4191229 0.1690536), wk = 0.0037453 k( 216) = ( 0.0000000 0.4322205 0.1743365), wk = 0.0037453 k( 217) = ( 0.0000000 0.4453181 0.1796194), wk = 0.0037453 k( 218) = ( 0.0000000 0.4584157 0.1849023), wk = 0.0037453 k( 219) = ( 0.0000000 0.4715133 0.1901853), wk = 0.0037453 k( 220) = ( 0.0000000 0.4846109 0.1954682), wk = 0.0037453 k( 221) = ( 0.5000000 0.4158527 0.0785984), wk = 0.0037453 k( 222) = ( 0.4891304 0.4068124 0.0768898), wk = 0.0037453 k( 223) = ( 0.4782609 0.3977721 0.0751811), wk = 0.0037453 k( 224) = ( 0.4673913 0.3887318 0.0734725), wk = 0.0037453 k( 225) = ( 0.4565217 0.3796916 0.0717638), wk = 0.0037453 k( 226) = ( 0.4456522 0.3706513 0.0700551), wk = 0.0037453 k( 227) = ( 0.4347826 0.3616110 0.0683465), wk = 0.0037453 k( 228) = ( 0.4239130 0.3525707 0.0666378), wk = 0.0037453 k( 229) = ( 0.4130435 0.3435305 0.0649292), wk = 0.0037453 k( 230) = ( 0.4021739 0.3344902 0.0632205), wk = 0.0037453 k( 231) = ( 0.3913044 0.3254499 0.0615118), wk = 0.0037453 k( 232) = ( 0.3804348 0.3164096 0.0598032), wk = 0.0037453 k( 233) = ( 0.3695652 0.3073694 0.0580945), wk = 0.0037453 k( 234) = ( 0.3586956 0.2983291 0.0563858), wk = 0.0037453 k( 235) = ( 0.3478261 0.2892888 0.0546772), wk = 0.0037453 k( 236) = ( 0.3369565 0.2802485 0.0529685), wk = 0.0037453 k( 237) = ( 0.3260870 0.2712083 0.0512599), wk = 0.0037453 k( 238) = ( 0.3152174 0.2621680 0.0495512), wk = 0.0037453 k( 239) = ( 0.3043478 0.2531277 0.0478425), wk = 0.0037453 k( 240) = ( 0.2934783 0.2440874 0.0461339), wk = 0.0037453 k( 241) = ( 0.2826087 0.2350472 0.0444252), wk = 0.0037453 k( 242) = ( 0.2717391 0.2260069 0.0427165), wk = 0.0037453 k( 243) = ( 0.2608696 0.2169666 0.0410079), wk = 0.0037453 k( 244) = ( 0.2500000 0.2079263 0.0392992), wk = 0.0037453 k( 245) = ( 0.2391304 0.1988861 0.0375906), wk = 0.0037453 k( 246) = ( 0.2282609 0.1898458 0.0358819), wk = 0.0037453 k( 247) = ( 0.2173913 0.1808055 0.0341732), wk = 0.0037453 k( 248) = ( 0.2065217 0.1717652 0.0324646), wk = 0.0037453 k( 249) = ( 0.1956522 0.1627250 0.0307559), wk = 0.0037453 k( 250) = ( 0.1847826 0.1536847 0.0290473), wk = 0.0037453 k( 251) = ( 0.1739130 0.1446444 0.0273386), wk = 0.0037453 k( 252) = ( 0.1630435 0.1356041 0.0256299), wk = 0.0037453 k( 253) = ( 0.1521739 0.1265639 0.0239213), wk = 0.0037453 k( 254) = ( 0.1413043 0.1175236 0.0222126), wk = 0.0037453 k( 255) = ( 0.1304348 0.1084833 0.0205039), wk = 0.0037453 k( 256) = ( 0.1195652 0.0994430 0.0187953), wk = 0.0037453 k( 257) = ( 0.1086957 0.0904028 0.0170866), wk = 0.0037453 k( 258) = ( 0.0978261 0.0813625 0.0153780), wk = 0.0037453 k( 259) = ( 0.0869565 0.0723222 0.0136693), wk = 0.0037453 k( 260) = ( 0.0760870 0.0632819 0.0119606), wk = 0.0037453 k( 261) = ( 0.0652174 0.0542417 0.0102520), wk = 0.0037453 k( 262) = ( 0.0543478 0.0452014 0.0085433), wk = 0.0037453 k( 263) = ( 0.0434783 0.0361611 0.0068346), wk = 0.0037453 k( 264) = ( 0.0326087 0.0271208 0.0051260), wk = 0.0037453 k( 265) = ( 0.0217391 0.0180806 0.0034173), wk = 0.0037453 k( 266) = ( 0.0108696 0.0090403 0.0017087), wk = 0.0037453 k( 267) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 cryst. coord. k( 1) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037453 k( 2) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0037453 k( 3) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0037453 k( 4) = ( 0.4583333 0.0000000 -0.0000000), wk = 0.0037453 k( 5) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0037453 k( 6) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0037453 k( 7) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0037453 k( 8) = ( 0.4027778 -0.0000000 -0.0000000), wk = 0.0037453 k( 9) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0037453 k( 10) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0037453 k( 11) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0037453 k( 12) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0037453 k( 13) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0037453 k( 14) = ( 0.3194444 0.0000000 -0.0000000), wk = 0.0037453 k( 15) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0037453 k( 16) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0037453 k( 17) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0037453 k( 18) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0037453 k( 19) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0037453 k( 20) = ( 0.2361111 0.0000000 -0.0000000), wk = 0.0037453 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0037453 k( 22) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0037453 k( 23) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0037453 k( 24) = ( 0.1805556 0.0000000 0.0000000), wk = 0.0037453 k( 25) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0037453 k( 26) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0037453 k( 27) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0037453 k( 28) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0037453 k( 29) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0037453 k( 30) = ( 0.0972222 -0.0000000 -0.0000000), wk = 0.0037453 k( 31) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0037453 k( 32) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0037453 k( 33) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0037453 k( 34) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0037453 k( 35) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0037453 k( 36) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0037453 k( 37) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 38) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 39) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0037453 k( 40) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0037453 k( 41) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0037453 k( 42) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0037453 k( 43) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0037453 k( 44) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0037453 k( 45) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0037453 k( 46) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0037453 k( 47) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0037453 k( 48) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0037453 k( 49) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0037453 k( 50) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0037453 k( 51) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0037453 k( 52) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0037453 k( 53) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0037453 k( 54) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0037453 k( 55) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0037453 k( 56) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0037453 k( 57) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0037453 k( 58) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0037453 k( 59) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0037453 k( 60) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0037453 k( 61) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0037453 k( 62) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0037453 k( 63) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0037453 k( 64) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0037453 k( 65) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0037453 k( 66) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0037453 k( 67) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0037453 k( 68) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0037453 k( 69) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0037453 k( 70) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0037453 k( 71) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0037453 k( 72) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0037453 k( 73) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037453 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037453 k( 75) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0037453 k( 76) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0037453 k( 77) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0037453 k( 78) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0037453 k( 79) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0037453 k( 80) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0037453 k( 81) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0037453 k( 82) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0037453 k( 83) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0037453 k( 84) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0037453 k( 85) = ( 0.3854167 0.3854167 0.0000000), wk = 0.0037453 k( 86) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0037453 k( 87) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0037453 k( 88) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0037453 k( 89) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0037453 k( 90) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037453 k( 91) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0037453 k( 92) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0037453 k( 93) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0037453 k( 94) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0037453 k( 95) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0037453 k( 96) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0037453 k( 97) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0037453 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0037453 k( 99) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0037453 k( 100) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0037453 k( 101) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0037453 k( 102) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0037453 k( 103) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0037453 k( 104) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0037453 k( 105) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0037453 k( 106) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0037453 k( 107) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0037453 k( 108) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0037453 k( 109) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0037453 k( 110) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0037453 k( 111) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0037453 k( 112) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0037453 k( 113) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0037453 k( 114) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0037453 k( 115) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0037453 k( 116) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0037453 k( 117) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0037453 k( 118) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0037453 k( 119) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0037453 k( 120) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0037453 k( 121) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0037453 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 124) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0037453 k( 125) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0037453 k( 126) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0037453 k( 127) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0037453 k( 128) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0037453 k( 129) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0037453 k( 130) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037453 k( 131) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0037453 k( 132) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0037453 k( 133) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0037453 k( 134) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0037453 k( 135) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0037453 k( 136) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0037453 k( 137) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037453 k( 138) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0037453 k( 139) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0037453 k( 140) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0037453 k( 141) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0037453 k( 142) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0037453 k( 143) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0037453 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037453 k( 145) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 k( 146) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0037453 k( 147) = ( 0.4729730 -0.0000000 0.4729730), wk = 0.0037453 k( 148) = ( 0.4594595 0.0000000 0.4594595), wk = 0.0037453 k( 149) = ( 0.4459459 -0.0000000 0.4459459), wk = 0.0037453 k( 150) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0037453 k( 151) = ( 0.4189189 -0.0000000 0.4189189), wk = 0.0037453 k( 152) = ( 0.4054054 -0.0000000 0.4054054), wk = 0.0037453 k( 153) = ( 0.3918919 0.0000000 0.3918919), wk = 0.0037453 k( 154) = ( 0.3783784 -0.0000000 0.3783784), wk = 0.0037453 k( 155) = ( 0.3648649 -0.0000000 0.3648649), wk = 0.0037453 k( 156) = ( 0.3513514 -0.0000000 0.3513514), wk = 0.0037453 k( 157) = ( 0.3378378 0.0000000 0.3378378), wk = 0.0037453 k( 158) = ( 0.3243243 -0.0000000 0.3243243), wk = 0.0037453 k( 159) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0037453 k( 160) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0037453 k( 161) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0037453 k( 162) = ( 0.2702703 0.0000000 0.2702703), wk = 0.0037453 k( 163) = ( 0.2567568 -0.0000000 0.2567568), wk = 0.0037453 k( 164) = ( 0.2432432 -0.0000000 0.2432432), wk = 0.0037453 k( 165) = ( 0.2297297 0.0000000 0.2297297), wk = 0.0037453 k( 166) = ( 0.2162162 -0.0000000 0.2162162), wk = 0.0037453 k( 167) = ( 0.2027027 -0.0000000 0.2027027), wk = 0.0037453 k( 168) = ( 0.1891892 -0.0000000 0.1891892), wk = 0.0037453 k( 169) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0037453 k( 170) = ( 0.1621622 -0.0000000 0.1621622), wk = 0.0037453 k( 171) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0037453 k( 172) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0037453 k( 173) = ( 0.1216216 -0.0000000 0.1216216), wk = 0.0037453 k( 174) = ( 0.1081081 -0.0000000 0.1081081), wk = 0.0037453 k( 175) = ( 0.0945946 -0.0000000 0.0945946), wk = 0.0037453 k( 176) = ( 0.0810811 -0.0000000 0.0810811), wk = 0.0037453 k( 177) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0037453 k( 178) = ( 0.0540540 -0.0000000 0.0540540), wk = 0.0037453 k( 179) = ( 0.0405405 -0.0000000 0.0405405), wk = 0.0037453 k( 180) = ( 0.0270270 -0.0000000 0.0270270), wk = 0.0037453 k( 181) = ( 0.0135135 -0.0000000 0.0135135), wk = 0.0037453 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 184) = ( 0.0000000 0.0135135 0.0135135), wk = 0.0037453 k( 185) = ( 0.0000000 0.0270270 0.0270270), wk = 0.0037453 k( 186) = ( 0.0000000 0.0405405 0.0405405), wk = 0.0037453 k( 187) = ( 0.0000000 0.0540540 0.0540541), wk = 0.0037453 k( 188) = ( 0.0000000 0.0675676 0.0675676), wk = 0.0037453 k( 189) = ( 0.0000000 0.0810811 0.0810811), wk = 0.0037453 k( 190) = ( 0.0000000 0.0945946 0.0945946), wk = 0.0037453 k( 191) = ( 0.0000000 0.1081081 0.1081081), wk = 0.0037453 k( 192) = ( 0.0000000 0.1216216 0.1216216), wk = 0.0037453 k( 193) = ( 0.0000000 0.1351351 0.1351351), wk = 0.0037453 k( 194) = ( 0.0000000 0.1486486 0.1486486), wk = 0.0037453 k( 195) = ( 0.0000000 0.1621622 0.1621622), wk = 0.0037453 k( 196) = ( 0.0000000 0.1756757 0.1756757), wk = 0.0037453 k( 197) = ( 0.0000000 0.1891892 0.1891892), wk = 0.0037453 k( 198) = ( 0.0000000 0.2027027 0.2027027), wk = 0.0037453 k( 199) = ( 0.0000000 0.2162162 0.2162162), wk = 0.0037453 k( 200) = ( 0.0000000 0.2297297 0.2297297), wk = 0.0037453 k( 201) = ( 0.0000000 0.2432432 0.2432432), wk = 0.0037453 k( 202) = ( 0.0000000 0.2567568 0.2567568), wk = 0.0037453 k( 203) = ( 0.0000000 0.2702703 0.2702703), wk = 0.0037453 k( 204) = ( 0.0000000 0.2837838 0.2837838), wk = 0.0037453 k( 205) = ( 0.0000000 0.2972973 0.2972973), wk = 0.0037453 k( 206) = ( 0.0000000 0.3108108 0.3108108), wk = 0.0037453 k( 207) = ( 0.0000000 0.3243243 0.3243243), wk = 0.0037453 k( 208) = ( 0.0000000 0.3378378 0.3378378), wk = 0.0037453 k( 209) = ( 0.0000000 0.3513514 0.3513514), wk = 0.0037453 k( 210) = ( 0.0000000 0.3648649 0.3648649), wk = 0.0037453 k( 211) = ( 0.0000000 0.3783784 0.3783784), wk = 0.0037453 k( 212) = ( 0.0000000 0.3918919 0.3918919), wk = 0.0037453 k( 213) = ( 0.0000000 0.4054054 0.4054054), wk = 0.0037453 k( 214) = ( 0.0000000 0.4189189 0.4189189), wk = 0.0037453 k( 215) = ( 0.0000000 0.4324324 0.4324324), wk = 0.0037453 k( 216) = ( 0.0000000 0.4459459 0.4459460), wk = 0.0037453 k( 217) = ( 0.0000000 0.4594595 0.4594595), wk = 0.0037453 k( 218) = ( 0.0000000 0.4729730 0.4729730), wk = 0.0037453 k( 219) = ( 0.0000000 0.4864865 0.4864865), wk = 0.0037453 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037453 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 222) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0037453 k( 223) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0037453 k( 224) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0037453 k( 225) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0037453 k( 226) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0037453 k( 227) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0037453 k( 228) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0037453 k( 229) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0037453 k( 230) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0037453 k( 231) = ( 0.3913044 0.3913043 0.3913044), wk = 0.0037453 k( 232) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0037453 k( 233) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0037453 k( 234) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0037453 k( 235) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0037453 k( 236) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0037453 k( 237) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0037453 k( 238) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0037453 k( 239) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0037453 k( 240) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0037453 k( 241) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0037453 k( 242) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0037453 k( 243) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0037453 k( 244) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037453 k( 245) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0037453 k( 246) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0037453 k( 247) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0037453 k( 248) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0037453 k( 249) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0037453 k( 250) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0037453 k( 251) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0037453 k( 252) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0037453 k( 253) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0037453 k( 254) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0037453 k( 255) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0037453 k( 256) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0037453 k( 257) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0037453 k( 258) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0037453 k( 259) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0037453 k( 260) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0037453 k( 261) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0037453 k( 262) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0037453 k( 263) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0037453 k( 264) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0037453 k( 265) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0037453 k( 266) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0037453 k( 267) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 Dense grid: 111697 G-vectors FFT dimensions: ( 50, 54, 90) Smooth grid: 48673 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 362, 68) NL pseudopotentials 0.43 Mb ( 181, 156) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 3101) G-vector shells 0.02 Mb ( 3059) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.50 Mb ( 362, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.32 Mb ( 156, 2, 68) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H4C3O2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt 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27.7 secs Computing kpt #: 28 total cpu time spent up to now is 28.6 secs Computing kpt #: 29 total cpu time spent up to now is 29.6 secs Computing kpt #: 30 total cpu time spent up to now is 30.5 secs Computing kpt #: 31 total cpu time spent up to now is 31.4 secs Computing kpt #: 32 total cpu time spent up to now is 32.4 secs Computing kpt #: 33 total cpu time spent up to now is 33.3 secs Computing kpt #: 34 total cpu time spent up to now is 34.4 secs Computing kpt #: 35 total cpu time spent up to now is 35.4 secs Computing kpt #: 36 total cpu time spent up to now is 36.4 secs Computing kpt #: 37 total cpu time spent up to now is 37.4 secs Computing kpt #: 38 total cpu time spent up to now is 38.3 secs Computing kpt #: 39 total cpu time spent up to now is 39.2 secs Computing kpt #: 40 total cpu time spent up to now is 40.1 secs Computing kpt #: 41 total cpu time spent up to now is 41.1 secs Computing kpt #: 42 total cpu time spent up to now is 42.0 secs Computing kpt #: 43 total cpu time spent up to now is 43.0 secs Computing kpt #: 44 total cpu time spent up to now is 43.9 secs Computing kpt #: 45 total cpu time spent up to now is 44.8 secs Computing kpt #: 46 total cpu time spent up to now is 45.9 secs Computing kpt #: 47 total cpu time spent up to now is 46.8 secs Computing kpt #: 48 total cpu time spent up to now is 47.9 secs Computing kpt #: 49 total cpu time spent up to now is 48.9 secs Computing kpt #: 50 total cpu time spent up to now is 50.0 secs Computing kpt #: 51 total cpu time spent up to now is 51.0 secs Computing kpt #: 52 total cpu time spent up to now is 52.0 secs Computing kpt #: 53 total cpu time spent up to now is 53.0 secs Computing kpt #: 54 total cpu time spent up to now is 54.0 secs Computing kpt #: 55 total cpu time spent up to now is 55.1 secs Computing kpt #: 56 total cpu time spent up to now is 56.1 secs Computing kpt #: 57 total cpu time spent up to now is 57.2 secs Computing kpt #: 58 total cpu time spent up to now is 58.2 secs Computing kpt #: 59 total cpu time spent up to now is 59.2 secs Computing kpt #: 60 total cpu time spent up to now is 60.2 secs Computing kpt #: 61 total cpu time spent up to now is 61.2 secs Computing kpt #: 62 total cpu time spent up to now is 62.2 secs Computing kpt #: 63 total cpu time spent up to now is 63.3 secs Computing kpt #: 64 total cpu time spent up to now is 64.3 secs Computing kpt #: 65 total cpu time spent up to now is 65.3 secs Computing kpt #: 66 total cpu time spent up to now is 66.2 secs Computing kpt #: 67 total cpu time spent up to now is 67.1 secs Computing kpt #: 68 total cpu time spent up to now is 68.1 secs Computing kpt #: 69 total cpu time spent up to now is 69.1 secs Computing kpt #: 70 total cpu time spent up to now is 70.0 secs Computing kpt #: 71 total cpu time spent up to now is 71.0 secs Computing kpt #: 72 total cpu time spent up to now is 71.9 secs Computing kpt #: 73 total cpu time spent up to now is 72.9 secs Computing kpt #: 74 total cpu time spent up to now is 73.9 secs Computing kpt #: 75 total cpu time spent up to now is 75.0 secs Computing kpt #: 76 total cpu time spent up to now is 76.0 secs Computing kpt #: 77 total cpu time spent up to now is 77.1 secs Computing kpt #: 78 total cpu time spent up to now is 78.2 secs Computing kpt #: 79 total cpu time spent up to now is 79.2 secs Computing kpt #: 80 total cpu time spent up to now is 80.2 secs Computing kpt #: 81 total cpu time spent up to now is 81.2 secs Computing kpt #: 82 total cpu time spent up to now is 82.3 secs Computing kpt #: 83 total cpu time spent up to now is 83.4 secs Computing kpt #: 84 total cpu time spent up to now is 84.4 secs Computing kpt #: 85 total cpu time spent up to now is 85.4 secs Computing kpt #: 86 total cpu time spent up to now is 86.4 secs Computing kpt #: 87 total cpu time spent up to now is 87.5 secs Computing kpt #: 88 total cpu time spent up to now is 88.5 secs Computing kpt #: 89 total cpu time spent up to now is 89.6 secs Computing kpt #: 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now is 105.1 secs Computing kpt #: 106 total cpu time spent up to now is 106.1 secs Computing kpt #: 107 total cpu time spent up to now is 107.0 secs Computing kpt #: 108 total cpu time spent up to now is 107.9 secs Computing kpt #: 109 total cpu time spent up to now is 108.9 secs Computing kpt #: 110 total cpu time spent up to now is 109.8 secs Computing kpt #: 111 total cpu time spent up to now is 110.7 secs Computing kpt #: 112 total cpu time spent up to now is 111.7 secs Computing kpt #: 113 total cpu time spent up to now is 112.6 secs Computing kpt #: 114 total cpu time spent up to now is 113.6 secs Computing kpt #: 115 total cpu time spent up to now is 114.5 secs Computing kpt #: 116 total cpu time spent up to now is 115.4 secs Computing kpt #: 117 total cpu time spent up to now is 116.4 secs Computing kpt #: 118 total cpu time spent up to now is 117.3 secs Computing kpt #: 119 total cpu time spent up to now is 118.3 secs Computing kpt #: 120 total cpu time spent up to now is 119.2 secs Computing kpt #: 121 total cpu time spent up to now is 120.1 secs Computing kpt #: 122 total cpu time spent up to now is 121.1 secs Computing kpt #: 123 total cpu time spent up to now is 122.0 secs Computing kpt #: 124 total cpu time spent up to now is 123.0 secs Computing kpt #: 125 total cpu time spent up to now is 123.9 secs Computing kpt #: 126 total cpu time spent up to now is 124.9 secs Computing kpt #: 127 total cpu time spent up to now is 125.9 secs Computing kpt #: 128 total cpu time spent up to now is 126.8 secs Computing kpt #: 129 total cpu time spent up to now is 127.7 secs Computing kpt #: 130 total cpu time spent up to now is 128.6 secs Computing kpt #: 131 total cpu time spent up to now is 129.6 secs Computing kpt #: 132 total cpu time spent up to now is 130.5 secs Computing kpt #: 133 total cpu time spent up to now is 131.4 secs Computing kpt #: 134 total cpu time spent up to now is 132.3 secs Computing kpt #: 135 total cpu time spent up to now is 133.3 secs Computing kpt #: 136 total cpu time spent up to now is 135.5 secs Computing kpt #: 137 total cpu time spent up to now is 136.4 secs Computing kpt #: 138 total cpu time spent up to now is 137.4 secs Computing kpt #: 139 total cpu time spent up to now is 138.3 secs Computing kpt #: 140 total cpu time spent up to now is 139.2 secs Computing kpt #: 141 total cpu time spent up to now is 140.1 secs Computing kpt #: 142 total cpu time spent up to now is 141.1 secs Computing kpt #: 143 total cpu time spent up to now is 142.0 secs Computing kpt #: 144 total cpu time spent up to now is 142.9 secs Computing kpt #: 145 total cpu time spent up to now is 143.8 secs Computing kpt #: 146 total cpu time spent up to now is 144.7 secs Computing kpt #: 147 total cpu time spent up to now is 145.6 secs Computing kpt #: 148 total cpu time spent up to now is 146.5 secs Computing kpt #: 149 total cpu time spent up to now is 147.4 secs Computing kpt #: 150 total cpu time spent up to now is 148.3 secs Computing kpt #: 151 total cpu time spent up to now is 149.2 secs Computing kpt #: 152 total cpu time spent up to now is 150.1 secs Computing kpt #: 153 total cpu time spent up to now is 151.0 secs Computing kpt #: 154 total cpu time spent up to now is 151.9 secs Computing kpt #: 155 total cpu time spent up to now is 152.8 secs Computing kpt #: 156 total cpu time spent up to now is 153.7 secs Computing kpt #: 157 total cpu time spent up to now is 154.7 secs Computing kpt #: 158 total cpu time spent up to now is 155.6 secs Computing kpt #: 159 total cpu time spent up to now is 156.5 secs Computing kpt #: 160 total cpu time spent up to now is 157.5 secs Computing kpt #: 161 total cpu time spent up to now is 158.5 secs Computing kpt #: 162 total cpu time spent up to now is 159.4 secs Computing kpt #: 163 total cpu time spent up to now is 160.4 secs Computing kpt #: 164 total cpu time spent up to now is 161.5 secs Computing kpt #: 165 total cpu time spent up to now is 162.5 secs Computing kpt #: 166 total cpu time spent up to now is 163.5 secs Computing kpt #: 167 total cpu time spent up to now is 164.6 secs Computing kpt #: 168 total cpu time spent up to now is 165.5 secs Computing kpt #: 169 total cpu time spent up to now is 166.5 secs Computing kpt #: 170 total cpu time spent up to now is 167.5 secs Computing kpt #: 171 total cpu time spent up to now is 168.4 secs Computing kpt #: 172 total cpu time spent up to now is 169.4 secs Computing kpt #: 173 total cpu time spent up to now is 170.3 secs Computing kpt #: 174 total cpu time spent up to now is 171.3 secs Computing kpt #: 175 total cpu time spent up to now is 172.3 secs Computing kpt #: 176 total cpu time spent up to now is 173.2 secs Computing kpt #: 177 total cpu time spent up to now is 174.1 secs Computing kpt #: 178 total cpu time spent up to now is 175.1 secs Computing kpt #: 179 total cpu time spent up to now is 176.0 secs Computing kpt #: 180 total cpu time spent up to now is 176.9 secs Computing kpt #: 181 total cpu time spent up to now is 177.9 secs Computing kpt #: 182 total cpu time spent up to now is 178.9 secs Computing kpt #: 183 total cpu time spent up to now is 179.8 secs Computing kpt #: 184 total cpu time spent up to now is 180.7 secs Computing kpt #: 185 total cpu time spent up to now is 181.7 secs Computing kpt #: 186 total cpu time spent up to now is 182.6 secs Computing kpt #: 187 total cpu time spent up to now is 183.5 secs Computing kpt #: 188 total cpu time spent up to now is 184.5 secs Computing kpt #: 189 total cpu time spent up to now is 185.5 secs Computing kpt #: 190 total cpu time spent up to now is 186.6 secs Computing kpt #: 191 total cpu time spent up to now is 187.6 secs Computing kpt #: 192 total cpu time spent up to now is 188.5 secs Computing kpt #: 193 total cpu time spent up to now is 189.6 secs Computing kpt #: 194 total cpu time spent up to now is 190.5 secs Computing kpt #: 195 total cpu time spent up to now is 191.6 secs Computing kpt #: 196 total cpu time spent up to now is 192.6 secs Computing kpt #: 197 total cpu time spent up to now is 193.6 secs Computing kpt #: 198 total cpu time spent up to now is 194.6 secs Computing kpt #: 199 total cpu time spent up to now is 195.7 secs Computing kpt #: 200 total cpu time spent up to now is 196.6 secs Computing kpt #: 201 total cpu time spent up to now is 197.6 secs Computing kpt #: 202 total cpu time spent up to now is 198.7 secs Computing kpt #: 203 total cpu time spent up to now is 199.7 secs Computing kpt #: 204 total cpu time spent up to now is 200.7 secs Computing kpt #: 205 total cpu time spent up to now is 201.7 secs Computing kpt #: 206 total cpu time spent up to now is 202.7 secs Computing kpt #: 207 total cpu time spent up to now is 203.7 secs Computing kpt #: 208 total cpu time spent up to now is 204.8 secs Computing kpt #: 209 total cpu time spent up to now is 205.8 secs Computing kpt #: 210 total cpu time spent up to now is 206.9 secs Computing kpt #: 211 total cpu time spent up to now is 207.9 secs Computing kpt #: 212 total cpu time spent up to now is 208.8 secs Computing kpt #: 213 total cpu time spent up to now is 209.8 secs Computing kpt #: 214 total cpu time spent up to now is 210.8 secs Computing kpt #: 215 total cpu time spent up to now is 211.7 secs Computing kpt #: 216 total cpu time spent up to now is 212.7 secs Computing kpt #: 217 total cpu time spent up to now is 213.7 secs Computing kpt #: 218 total cpu time spent up to now is 214.6 secs Computing kpt #: 219 total cpu time spent up to now is 215.5 secs Computing kpt #: 220 total cpu time spent up to now is 216.5 secs Computing kpt #: 221 total cpu time spent up to now is 217.5 secs Computing kpt #: 222 total cpu time spent up to now is 218.6 secs Computing kpt #: 223 total cpu time spent up to now is 219.6 secs Computing kpt #: 224 total cpu time spent up to now is 220.6 secs Computing kpt #: 225 total cpu time spent up to now is 221.7 secs Computing kpt #: 226 total cpu time spent up to now is 222.7 secs Computing kpt #: 227 total cpu time spent up to now is 223.7 secs Computing kpt #: 228 total cpu time spent up to now is 224.7 secs Computing kpt #: 229 total cpu time spent up to now is 225.7 secs Computing kpt #: 230 total cpu time spent up to now is 226.8 secs Computing kpt #: 231 total cpu time spent up to now is 227.8 secs Computing kpt #: 232 total cpu time spent up to now is 228.8 secs Computing kpt #: 233 total cpu time spent up to now is 229.9 secs Computing kpt #: 234 total cpu time spent up to now is 230.9 secs Computing kpt #: 235 total cpu time spent up to now is 231.8 secs Computing kpt #: 236 total cpu time spent up to now is 232.7 secs Computing kpt #: 237 total cpu time spent up to now is 233.7 secs Computing kpt #: 238 total cpu time spent up to now is 234.7 secs Computing kpt #: 239 total cpu time spent up to now is 235.6 secs Computing kpt #: 240 total cpu time spent up to now is 236.5 secs Computing kpt #: 241 total cpu time spent up to now is 237.5 secs Computing kpt #: 242 total cpu time spent up to now is 238.5 secs Computing kpt #: 243 total cpu time spent up to now is 239.5 secs Computing kpt #: 244 total cpu time spent up to now is 240.4 secs Computing kpt #: 245 total cpu time spent up to now is 241.3 secs Computing kpt #: 246 total cpu time spent up to now is 242.3 secs Computing kpt #: 247 total cpu time spent up to now is 243.3 secs Computing kpt #: 248 total cpu time spent up to now is 244.3 secs Computing kpt #: 249 total cpu time spent up to now is 245.2 secs Computing kpt #: 250 total cpu time spent up to now is 246.2 secs Computing kpt #: 251 total cpu time spent up to now is 247.1 secs Computing kpt #: 252 total cpu time spent up to now is 248.1 secs Computing kpt #: 253 total cpu time spent up to now is 249.0 secs Computing kpt #: 254 total cpu time spent up to now is 249.9 secs Computing kpt #: 255 total cpu time spent up to now is 250.9 secs Computing kpt #: 256 total cpu time spent up to now is 251.9 secs Computing kpt #: 257 total cpu time spent up to now is 252.8 secs Computing kpt #: 258 total cpu time spent up to now is 253.7 secs Computing kpt #: 259 total cpu time spent up to now is 254.6 secs Computing kpt #: 260 total cpu time spent up to now is 255.5 secs Computing kpt #: 261 total cpu time spent up to now is 256.5 secs Computing kpt #: 262 total cpu time spent up to now is 257.5 secs Computing kpt #: 263 total cpu time spent up to now is 258.4 secs Computing kpt #: 264 total cpu time spent up to now is 259.3 secs Computing kpt #: 265 total cpu time spent up to now is 260.3 secs Computing kpt #: 266 total cpu time spent up to now is 261.2 secs Computing kpt #: 267 total cpu time spent up to now is 262.2 secs ethr = 1.79E-08, avg # of iterations = 20.3 total cpu time spent up to now is 262.2 secs End of band structure calculation k = 0.5000-0.0688-0.1169 ( 6074 PWs) bands (ev): -21.6229 -21.6229 -21.4411 -21.4411 -20.2586 -20.2586 -19.3983 -19.3983 -14.3814 -14.3814 -13.6910 -13.6910 -12.2057 -12.2057 -9.9664 -9.9664 -9.1472 -9.1472 -8.3260 -8.3260 -7.7849 -7.7849 -7.0950 -7.0950 -6.4478 -6.4478 -5.9418 -5.9418 -5.5707 -5.5707 -5.2960 -5.2960 -4.7792 -4.7792 -4.2498 -4.2498 -3.8687 -3.8687 -3.3471 -3.3471 -2.7716 -2.7716 -2.6449 -2.6449 -2.1309 -2.1309 -1.3873 -1.3873 -1.0612 -1.0612 -0.6515 -0.6515 -0.2395 -0.2395 0.0405 0.0405 4.2002 4.2002 6.7079 6.7079 6.9209 6.9209 8.0781 8.0781 8.4225 8.4225 8.8173 8.8173 k = 0.4861-0.0668-0.1136 ( 6079 PWs) bands (ev): -21.6230 -21.6230 -21.4411 -21.4411 -20.2586 -20.2586 -19.3983 -19.3983 -14.3814 -14.3814 -13.6909 -13.6909 -12.2056 -12.2056 -9.9662 -9.9662 -9.1474 -9.1474 -8.3263 -8.3262 -7.7848 -7.7847 -7.0951 -7.0950 -6.4480 -6.4479 -5.9416 -5.9415 -5.5703 -5.5702 -5.2958 -5.2958 -4.7792 -4.7792 -4.2499 -4.2499 -3.8686 -3.8686 -3.3473 -3.3473 -2.7716 -2.7714 -2.6448 -2.6446 -2.1314 -2.1313 -1.3874 -1.3874 -1.0612 -1.0611 -0.6520 -0.6519 -0.2398 -0.2397 0.0403 0.0405 4.1992 4.1992 6.7062 6.7064 6.9219 6.9223 8.0774 8.0777 8.4220 8.4221 8.8164 8.8165 k = 0.4722-0.0649-0.1104 ( 6075 PWs) bands (ev): -21.6233 -21.6233 -21.4409 -21.4409 -20.2587 -20.2587 -19.3983 -19.3983 -14.3813 -14.3813 -13.6906 -13.6906 -12.2053 -12.2053 -9.9658 -9.9658 -9.1478 -9.1478 -8.3269 -8.3269 -7.7843 -7.7843 -7.0953 -7.0952 -6.4483 -6.4482 -5.9411 -5.9409 -5.5690 -5.5689 -5.2950 -5.2950 -4.7791 -4.7790 -4.2500 -4.2500 -3.8684 -3.8683 -3.3479 -3.3478 -2.7714 -2.7708 -2.6445 -2.6440 -2.1326 -2.1325 -1.3877 -1.3877 -1.0610 -1.0609 -0.6531 -0.6530 -0.2406 -0.2404 0.0399 0.0403 4.1963 4.1963 6.7015 6.7018 6.9252 6.9260 8.0755 8.0760 8.4206 8.4208 8.8137 8.8139 k = 0.4583-0.0630-0.1071 ( 6077 PWs) bands (ev): -21.6238 -21.6238 -21.4407 -21.4407 -20.2588 -20.2588 -19.3983 -19.3983 -14.3812 -14.3812 -13.6902 -13.6901 -12.2047 -12.2047 -9.9651 -9.9651 -9.1484 -9.1484 -8.3279 -8.3279 -7.7836 -7.7836 -7.0956 -7.0955 -6.4489 -6.4487 -5.9401 -5.9399 -5.5669 -5.5667 -5.2938 -5.2937 -4.7789 -4.7788 -4.2503 -4.2503 -3.8680 -3.8679 -3.3489 -3.3488 -2.7709 -2.7701 -2.6440 -2.6432 -2.1347 -2.1345 -1.3881 -1.3881 -1.0608 -1.0605 -0.6550 -0.6549 -0.2418 -0.2416 0.0392 0.0398 4.1915 4.1915 6.6940 6.6944 6.9305 6.9315 8.0718 8.0725 8.4191 8.4193 8.8095 8.8098 k = 0.4444-0.0611-0.1039 ( 6076 PWs) bands (ev): -21.6244 -21.6244 -21.4403 -21.4403 -20.2590 -20.2590 -19.3982 -19.3982 -14.3810 -14.3810 -13.6895 -13.6895 -12.2040 -12.2040 -9.9642 -9.9642 -9.1493 -9.1493 -8.3294 -8.3293 -7.7827 -7.7826 -7.0960 -7.0958 -6.4496 -6.4493 -5.9388 -5.9386 -5.5640 -5.5638 -5.2920 -5.2919 -4.7786 -4.7785 -4.2507 -4.2507 -3.8674 -3.8673 -3.3503 -3.3500 -2.7701 -2.7691 -2.6431 -2.6422 -2.1376 -2.1373 -1.3887 -1.3886 -1.0604 -1.0601 -0.6577 -0.6575 -0.2435 -0.2432 0.0383 0.0391 4.1848 4.1849 6.6844 6.6848 6.9373 6.9386 8.0653 8.0663 8.4182 8.4185 8.8042 8.8045 k = 0.4306-0.0592-0.1006 ( 6073 PWs) bands (ev): -21.6252 -21.6252 -21.4398 -21.4398 -20.2592 -20.2592 -19.3982 -19.3982 -14.3807 -14.3807 -13.6887 -13.6887 -12.2030 -12.2030 -9.9630 -9.9630 -9.1504 -9.1504 -8.3312 -8.3311 -7.7814 -7.7813 -7.0966 -7.0964 -6.4505 -6.4501 -5.9371 -5.9368 -5.5602 -5.5600 -5.2898 -5.2896 -4.7782 -4.7781 -4.2512 -4.2511 -3.8667 -3.8665 -3.3519 -3.3517 -2.7691 -2.7679 -2.6421 -2.6409 -2.1412 -2.1409 -1.3894 -1.3893 -1.0599 -1.0595 -0.6610 -0.6608 -0.2456 -0.2452 0.0373 0.0382 4.1763 4.1764 6.6730 6.6735 6.9452 6.9468 8.0552 8.0564 8.4190 8.4194 8.7980 8.7983 k = 0.4167-0.0573-0.0974 ( 6077 PWs) bands (ev): -21.6262 -21.6262 -21.4392 -21.4392 -20.2595 -20.2595 -19.3982 -19.3982 -14.3804 -14.3804 -13.6877 -13.6877 -12.2019 -12.2018 -9.9615 -9.9615 -9.1518 -9.1517 -8.3333 -8.3332 -7.7799 -7.7798 -7.0973 -7.0971 -6.4514 -6.4510 -5.9350 -5.9347 -5.5558 -5.5555 -5.2871 -5.2869 -4.7777 -4.7777 -4.2518 -4.2517 -3.8659 -3.8656 -3.3539 -3.3536 -2.7679 -2.7664 -2.6408 -2.6395 -2.1456 -2.1452 -1.3902 -1.3901 -1.0593 -1.0588 -0.6650 -0.6648 -0.2482 -0.2477 0.0360 0.0371 4.1661 4.1662 6.6605 6.6609 6.9539 6.9556 8.0405 8.0418 8.4225 8.4229 8.7912 8.7916 k = 0.4028-0.0554-0.0941 ( 6079 PWs) bands (ev): -21.6274 -21.6274 -21.4386 -21.4386 -20.2599 -20.2599 -19.3981 -19.3981 -14.3800 -14.3800 -13.6865 -13.6865 -12.2005 -12.2005 -9.9598 -9.9598 -9.1534 -9.1533 -8.3358 -8.3357 -7.7782 -7.7780 -7.0982 -7.0979 -6.4525 -6.4520 -5.9326 -5.9322 -5.5507 -5.5504 -5.2840 -5.2838 -4.7772 -4.7771 -4.2525 -4.2524 -3.8649 -3.8646 -3.3563 -3.3559 -2.7664 -2.7647 -2.6394 -2.6378 -2.1507 -2.1503 -1.3911 -1.3910 -1.0587 -1.0581 -0.6697 -0.6694 -0.2512 -0.2506 0.0344 0.0357 4.1542 4.1544 6.6471 6.6475 6.9629 6.9647 8.0207 8.0221 8.4292 8.4297 8.7843 8.7848 k = 0.3889-0.0535-0.0909 ( 6081 PWs) bands (ev): -21.6287 -21.6287 -21.4378 -21.4378 -20.2602 -20.2602 -19.3981 -19.3981 -14.3796 -14.3796 -13.6852 -13.6852 -12.1990 -12.1990 -9.9579 -9.9578 -9.1552 -9.1551 -8.3386 -8.3385 -7.7762 -7.7760 -7.0993 -7.0990 -6.4535 -6.4530 -5.9299 -5.9294 -5.5449 -5.5446 -5.2805 -5.2802 -4.7766 -4.7765 -4.2532 -4.2531 -3.8638 -3.8635 -3.3589 -3.3584 -2.7647 -2.7629 -2.6378 -2.6361 -2.1565 -2.1561 -1.3920 -1.3918 -1.0580 -1.0573 -0.6749 -0.6747 -0.2545 -0.2539 0.0327 0.0342 4.1409 4.1410 6.6332 6.6336 6.9720 6.9740 7.9959 7.9973 8.4394 8.4400 8.7775 8.7779 k = 0.3750-0.0516-0.0877 ( 6082 PWs) bands (ev): -21.6301 -21.6301 -21.4370 -21.4370 -20.2607 -20.2607 -19.3980 -19.3980 -14.3792 -14.3792 -13.6837 -13.6837 -12.1973 -12.1973 -9.9557 -9.9557 -9.1572 -9.1571 -8.3416 -8.3415 -7.7740 -7.7738 -7.1005 -7.1002 -6.4546 -6.4540 -5.9268 -5.9263 -5.5387 -5.5383 -5.2767 -5.2764 -4.7759 -4.7758 -4.2540 -4.2539 -3.8625 -3.8622 -3.3617 -3.3612 -2.7628 -2.7608 -2.6361 -2.6343 -2.1630 -2.1625 -1.3928 -1.3927 -1.0572 -1.0565 -0.6807 -0.6804 -0.2583 -0.2576 0.0308 0.0324 4.1261 4.1263 6.6190 6.6195 6.9811 6.9831 7.9665 7.9679 8.4527 8.4533 8.7709 8.7713 k = 0.3611-0.0497-0.0844 ( 6084 PWs) bands (ev): -21.6317 -21.6317 -21.4362 -21.4362 -20.2611 -20.2611 -19.3979 -19.3979 -14.3787 -14.3786 -13.6821 -13.6821 -12.1954 -12.1954 -9.9534 -9.9533 -9.1594 -9.1593 -8.3449 -8.3447 -7.7715 -7.7713 -7.1020 -7.1017 -6.4556 -6.4549 -5.9233 -5.9228 -5.5320 -5.5316 -5.2726 -5.2723 -4.7751 -4.7750 -4.2549 -4.2547 -3.8612 -3.8608 -3.3648 -3.3643 -2.7607 -2.7586 -2.6343 -2.6324 -2.1700 -2.1695 -1.3937 -1.3935 -1.0564 -1.0557 -0.6870 -0.6866 -0.2623 -0.2616 0.0287 0.0304 4.1100 4.1102 6.6048 6.6052 6.9899 6.9921 7.9333 7.9348 8.4683 8.4690 8.7649 8.7653 k = 0.3472-0.0477-0.0812 ( 6085 PWs) bands (ev): -21.6333 -21.6333 -21.4353 -21.4353 -20.2616 -20.2616 -19.3979 -19.3979 -14.3781 -14.3781 -13.6804 -13.6804 -12.1935 -12.1935 -9.9508 -9.9508 -9.1617 -9.1617 -8.3483 -8.3482 -7.7689 -7.7687 -7.1037 -7.1034 -6.4565 -6.4558 -5.9196 -5.9191 -5.5249 -5.5244 -5.2682 -5.2679 -4.7743 -4.7741 -4.2558 -4.2556 -3.8598 -3.8593 -3.3680 -3.3675 -2.7584 -2.7562 -2.6325 -2.6304 -2.1776 -2.1770 -1.3944 -1.3941 -1.0557 -1.0548 -0.6937 -0.6933 -0.2666 -0.2658 0.0264 0.0282 4.0928 4.0930 6.5907 6.5911 6.9984 7.0006 7.8974 7.8989 8.4852 8.4859 8.7596 8.7600 k = 0.3333-0.0458-0.0779 ( 6084 PWs) bands (ev): -21.6350 -21.6350 -21.4343 -21.4343 -20.2622 -20.2622 -19.3978 -19.3978 -14.3775 -14.3775 -13.6786 -13.6785 -12.1914 -12.1913 -9.9481 -9.9481 -9.1642 -9.1642 -8.3519 -8.3517 -7.7661 -7.7659 -7.1056 -7.1053 -6.4573 -6.4566 -5.9156 -5.9151 -5.5175 -5.5170 -5.2636 -5.2633 -4.7733 -4.7732 -4.2567 -4.2565 -3.8582 -3.8578 -3.3714 -3.3709 -2.7560 -2.7538 -2.6306 -2.6285 -2.1857 -2.1851 -1.3949 -1.3947 -1.0549 -1.0540 -0.7008 -0.7004 -0.2712 -0.2704 0.0240 0.0258 4.0746 4.0748 6.5768 6.5772 7.0063 7.0086 7.8597 7.8612 8.5023 8.5031 8.7556 8.7560 k = 0.3194-0.0439-0.0747 ( 6084 PWs) bands (ev): -21.6368 -21.6368 -21.4333 -21.4333 -20.2627 -20.2627 -19.3977 -19.3977 -14.3769 -14.3769 -13.6767 -13.6766 -12.1892 -12.1891 -9.9453 -9.9452 -9.1669 -9.1669 -8.3556 -8.3554 -7.7631 -7.7629 -7.1078 -7.1074 -6.4580 -6.4572 -5.9114 -5.9108 -5.5098 -5.5094 -5.2589 -5.2585 -4.7722 -4.7721 -4.2576 -4.2574 -3.8567 -3.8561 -3.3750 -3.3744 -2.7535 -2.7512 -2.6288 -2.6267 -2.1942 -2.1935 -1.3953 -1.3950 -1.0542 -1.0532 -0.7081 -0.7077 -0.2760 -0.2752 0.0214 0.0233 4.0556 4.0558 6.5632 6.5637 7.0135 7.0159 7.8212 7.8227 8.5183 8.5191 8.7532 8.7536 k = 0.3056-0.0420-0.0714 ( 6094 PWs) bands (ev): -21.6387 -21.6387 -21.4323 -21.4323 -20.2633 -20.2633 -19.3976 -19.3976 -14.3763 -14.3763 -13.6747 -13.6746 -12.1869 -12.1868 -9.9423 -9.9423 -9.1697 -9.1697 -8.3593 -8.3592 -7.7600 -7.7598 -7.1101 -7.1098 -6.4585 -6.4578 -5.9069 -5.9063 -5.5021 -5.5017 -5.2541 -5.2537 -4.7711 -4.7709 -4.2585 -4.2583 -3.8550 -3.8545 -3.3786 -3.3780 -2.7509 -2.7486 -2.6271 -2.6249 -2.2030 -2.2023 -1.3954 -1.3952 -1.0536 -1.0526 -0.7158 -0.7154 -0.2810 -0.2801 0.0186 0.0207 4.0359 4.0361 6.5500 6.5505 7.0199 7.0223 7.7828 7.7843 8.5319 8.5326 8.7530 8.7534 k = 0.2917-0.0401-0.0682 ( 6091 PWs) bands (ev): -21.6406 -21.6406 -21.4313 -21.4313 -20.2639 -20.2639 -19.3976 -19.3976 -14.3756 -14.3756 -13.6726 -13.6726 -12.1845 -12.1845 -9.9392 -9.9392 -9.1726 -9.1725 -8.3631 -8.3630 -7.7568 -7.7565 -7.1127 -7.1123 -6.4589 -6.4581 -5.9022 -5.9016 -5.4943 -5.4939 -5.2492 -5.2488 -4.7698 -4.7696 -4.2593 -4.2591 -3.8534 -3.8528 -3.3823 -3.3816 -2.7483 -2.7460 -2.6254 -2.6232 -2.2121 -2.2114 -1.3953 -1.3950 -1.0531 -1.0520 -0.7236 -0.7232 -0.2862 -0.2853 0.0158 0.0179 4.0157 4.0159 6.5373 6.5378 7.0253 7.0278 7.7454 7.7468 8.5420 8.5427 8.7555 8.7560 k = 0.2778-0.0382-0.0649 ( 6098 PWs) bands (ev): -21.6425 -21.6425 -21.4303 -21.4303 -20.2646 -20.2646 -19.3975 -19.3975 -14.3749 -14.3749 -13.6705 -13.6704 -12.1821 -12.1820 -9.9360 -9.9360 -9.1756 -9.1755 -8.3669 -8.3667 -7.7534 -7.7532 -7.1154 -7.1150 -6.4592 -6.4584 -5.8973 -5.8968 -5.4866 -5.4861 -5.2444 -5.2439 -4.7684 -4.7682 -4.2601 -4.2598 -3.8517 -3.8511 -3.3860 -3.3853 -2.7457 -2.7434 -2.6239 -2.6217 -2.2214 -2.2207 -1.3949 -1.3946 -1.0527 -1.0515 -0.7316 -0.7312 -0.2914 -0.2905 0.0129 0.0150 3.9951 3.9953 6.5249 6.5254 7.0295 7.0320 7.7095 7.7109 8.5479 8.5485 8.7608 8.7614 k = 0.2639-0.0363-0.0617 ( 6095 PWs) bands (ev): -21.6445 -21.6444 -21.4293 -21.4292 -20.2652 -20.2652 -19.3974 -19.3974 -14.3742 -14.3742 -13.6683 -13.6683 -12.1796 -12.1796 -9.9328 -9.9328 -9.1787 -9.1786 -8.3706 -8.3705 -7.7500 -7.7498 -7.1182 -7.1178 -6.4593 -6.4585 -5.8923 -5.8917 -5.4789 -5.4784 -5.2396 -5.2391 -4.7668 -4.7666 -4.2608 -4.2605 -3.8500 -3.8494 -3.3897 -3.3890 -2.7431 -2.7408 -2.6224 -2.6203 -2.2308 -2.2300 -1.3942 -1.3938 -1.0524 -1.0512 -0.7397 -0.7392 -0.2967 -0.2958 0.0099 0.0120 3.9744 3.9746 6.5131 6.5136 7.0323 7.0349 7.6759 7.6773 8.5493 8.5498 8.7686 8.7693 k = 0.2500-0.0344-0.0584 ( 6093 PWs) bands (ev): -21.6464 -21.6464 -21.4282 -21.4282 -20.2658 -20.2658 -19.3973 -19.3973 -14.3735 -14.3735 -13.6662 -13.6662 -12.1771 -12.1771 -9.9295 -9.9295 -9.1818 -9.1817 -8.3743 -8.3742 -7.7465 -7.7463 -7.1212 -7.1208 -6.4593 -6.4585 -5.8872 -5.8866 -5.4714 -5.4709 -5.2349 -5.2344 -4.7651 -4.7649 -4.2614 -4.2611 -3.8484 -3.8478 -3.3934 -3.3927 -2.7406 -2.7384 -2.6211 -2.6190 -2.2402 -2.2394 -1.3931 -1.3927 -1.0523 -1.0510 -0.7477 -0.7473 -0.3021 -0.3012 0.0069 0.0090 3.9536 3.9539 6.5017 6.5022 7.0336 7.0362 7.6451 7.6465 8.5466 8.5471 8.7782 8.7789 k = 0.2361-0.0325-0.0552 ( 6094 PWs) bands (ev): -21.6483 -21.6483 -21.4272 -21.4272 -20.2665 -20.2665 -19.3972 -19.3972 -14.3728 -14.3728 -13.6640 -13.6640 -12.1747 -12.1747 -9.9263 -9.9262 -9.1849 -9.1848 -8.3779 -8.3778 -7.7430 -7.7428 -7.1242 -7.1238 -6.4592 -6.4585 -5.8820 -5.8814 -5.4642 -5.4637 -5.2303 -5.2298 -4.7632 -4.7631 -4.2618 -4.2615 -3.8469 -3.8462 -3.3970 -3.3963 -2.7383 -2.7361 -2.6199 -2.6178 -2.2495 -2.2487 -1.3917 -1.3913 -1.0524 -1.0510 -0.7558 -0.7554 -0.3075 -0.3065 0.0039 0.0059 3.9330 3.9332 6.4908 6.4914 7.0331 7.0357 7.6175 7.6189 8.5405 8.5410 8.7885 8.7893 k = 0.2222-0.0306-0.0519 ( 6096 PWs) bands (ev): -21.6502 -21.6502 -21.4263 -21.4263 -20.2671 -20.2671 -19.3971 -19.3971 -14.3721 -14.3721 -13.6619 -13.6619 -12.1722 -12.1722 -9.9230 -9.9230 -9.1880 -9.1879 -8.3814 -8.3813 -7.7395 -7.7392 -7.1273 -7.1269 -6.4590 -6.4583 -5.8767 -5.8762 -5.4572 -5.4567 -5.2260 -5.2255 -4.7613 -4.7611 -4.2622 -4.2618 -3.8454 -3.8447 -3.4005 -3.3998 -2.7361 -2.7340 -2.6188 -2.6169 -2.2586 -2.2578 -1.3900 -1.3895 -1.0526 -1.0513 -0.7637 -0.7633 -0.3128 -0.3119 0.0008 0.0028 3.9127 3.9129 6.4804 6.4809 7.0307 7.0334 7.5936 7.5950 8.5316 8.5321 8.7987 8.7996 k = 0.2083-0.0286-0.0487 ( 6094 PWs) bands (ev): -21.6520 -21.6520 -21.4253 -21.4253 -20.2678 -20.2678 -19.3970 -19.3970 -14.3714 -14.3714 -13.6598 -13.6598 -12.1698 -12.1698 -9.9198 -9.9198 -9.1911 -9.1910 -8.3847 -8.3846 -7.7359 -7.7357 -7.1304 -7.1300 -6.4588 -6.4581 -5.8715 -5.8710 -5.4505 -5.4501 -5.2219 -5.2213 -4.7591 -4.7590 -4.2623 -4.2620 -3.8440 -3.8433 -3.4039 -3.4032 -2.7341 -2.7321 -2.6179 -2.6160 -2.2676 -2.2668 -1.3879 -1.3874 -1.0531 -1.0517 -0.7715 -0.7711 -0.3180 -0.3171 -0.0022 -0.0002 3.8929 3.8931 6.4704 6.4710 7.0266 7.0292 7.5735 7.5748 8.5207 8.5212 8.8081 8.8091 k = 0.1944-0.0267-0.0454 ( 6092 PWs) bands (ev): -21.6538 -21.6538 -21.4244 -21.4244 -20.2684 -20.2684 -19.3969 -19.3969 -14.3708 -14.3707 -13.6578 -13.6577 -12.1675 -12.1675 -9.9166 -9.9166 -9.1941 -9.1941 -8.3879 -8.3878 -7.7325 -7.7322 -7.1334 -7.1330 -6.4586 -6.4579 -5.8663 -5.8658 -5.4442 -5.4438 -5.2180 -5.2175 -4.7569 -4.7567 -4.2624 -4.2621 -3.8426 -3.8420 -3.4072 -3.4065 -2.7324 -2.7305 -2.6171 -2.6153 -2.2761 -2.2754 -1.3855 -1.3850 -1.0538 -1.0524 -0.7791 -0.7787 -0.3231 -0.3222 -0.0051 -0.0032 3.8736 3.8738 6.4610 6.4615 7.0206 7.0232 7.5571 7.5584 8.5082 8.5088 8.8162 8.8172 k = 0.1806-0.0248-0.0422 ( 6091 PWs) bands (ev): -21.6555 -21.6555 -21.4235 -21.4235 -20.2690 -20.2690 -19.3969 -19.3969 -14.3701 -14.3701 -13.6558 -13.6558 -12.1652 -12.1652 -9.9135 -9.9135 -9.1971 -9.1971 -8.3909 -8.3908 -7.7291 -7.7288 -7.1364 -7.1360 -6.4583 -6.4577 -5.8612 -5.8607 -5.4383 -5.4379 -5.2144 -5.2139 -4.7545 -4.7544 -4.2623 -4.2620 -3.8415 -3.8408 -3.4103 -3.4096 -2.7309 -2.7292 -2.6164 -2.6147 -2.2843 -2.2836 -1.3828 -1.3823 -1.0547 -1.0532 -0.7863 -0.7860 -0.3280 -0.3272 -0.0079 -0.0061 3.8551 3.8553 6.4520 6.4526 7.0131 7.0156 7.5445 7.5458 8.4947 8.4953 8.8229 8.8239 k = 0.1667-0.0229-0.0390 ( 6092 PWs) bands (ev): -21.6571 -21.6571 -21.4227 -21.4227 -20.2695 -20.2695 -19.3968 -19.3968 -14.3694 -14.3694 -13.6539 -13.6539 -12.1630 -12.1630 -9.9106 -9.9106 -9.2000 -9.1999 -8.3938 -8.3936 -7.7258 -7.7255 -7.1392 -7.1389 -6.4581 -6.4575 -5.8563 -5.8558 -5.4328 -5.4324 -5.2111 -5.2106 -4.7521 -4.7520 -4.2621 -4.2617 -3.8404 -3.8398 -3.4132 -3.4125 -2.7297 -2.7281 -2.6157 -2.6142 -2.2921 -2.2913 -1.3799 -1.3793 -1.0558 -1.0543 -0.7933 -0.7930 -0.3328 -0.3320 -0.0106 -0.0089 3.8375 3.8376 6.4435 6.4441 7.0044 7.0068 7.5353 7.5365 8.4805 8.4811 8.8280 8.8291 k = 0.1528-0.0210-0.0357 ( 6089 PWs) bands (ev): -21.6586 -21.6586 -21.4220 -21.4219 -20.2701 -20.2701 -19.3967 -19.3967 -14.3688 -14.3688 -13.6521 -13.6521 -12.1610 -12.1609 -9.9077 -9.9077 -9.2028 -9.2027 -8.3964 -8.3963 -7.7226 -7.7224 -7.1419 -7.1416 -6.4578 -6.4573 -5.8515 -5.8511 -5.4278 -5.4274 -5.2081 -5.2076 -4.7497 -4.7495 -4.2617 -4.2614 -3.8395 -3.8389 -3.4159 -3.4153 -2.7288 -2.7273 -2.6152 -2.6137 -2.2993 -2.2986 -1.3767 -1.3762 -1.0571 -1.0556 -0.7999 -0.7997 -0.3373 -0.3366 -0.0132 -0.0116 3.8208 3.8209 6.4355 6.4361 6.9947 6.9969 7.5292 7.5303 8.4660 8.4665 8.8317 8.8328 k = 0.1389-0.0191-0.0325 ( 6091 PWs) bands (ev): -21.6601 -21.6601 -21.4212 -21.4212 -20.2706 -20.2706 -19.3966 -19.3966 -14.3683 -14.3682 -13.6504 -13.6504 -12.1590 -12.1590 -9.9051 -9.9051 -9.2054 -9.2053 -8.3988 -8.3987 -7.7195 -7.7194 -7.1445 -7.1442 -6.4577 -6.4571 -5.8470 -5.8466 -5.4232 -5.4228 -5.2054 -5.2049 -4.7472 -4.7471 -4.2612 -4.2609 -3.8387 -3.8381 -3.4185 -3.4179 -2.7281 -2.7267 -2.6147 -2.6134 -2.3060 -2.3053 -1.3734 -1.3729 -1.0585 -1.0571 -0.8061 -0.8059 -0.3415 -0.3408 -0.0157 -0.0141 3.8052 3.8053 6.4281 6.4286 6.9845 6.9866 7.5257 7.5266 8.4514 8.4519 8.8342 8.8352 k = 0.1250-0.0172-0.0292 ( 6092 PWs) bands (ev): -21.6614 -21.6614 -21.4206 -21.4206 -20.2711 -20.2711 -19.3966 -19.3966 -14.3677 -14.3677 -13.6488 -13.6488 -12.1572 -12.1572 -9.9026 -9.9026 -9.2078 -9.2078 -8.4010 -8.4009 -7.7167 -7.7165 -7.1469 -7.1466 -6.4575 -6.4570 -5.8428 -5.8423 -5.4191 -5.4187 -5.2030 -5.2026 -4.7448 -4.7447 -4.2607 -4.2604 -3.8380 -3.8375 -3.4208 -3.4202 -2.7277 -2.7265 -2.6143 -2.6131 -2.3121 -2.3114 -1.3701 -1.3696 -1.0601 -1.0587 -0.8118 -0.8116 -0.3455 -0.3448 -0.0179 -0.0165 3.7908 3.7909 6.4212 6.4217 6.9742 6.9761 7.5242 7.5251 8.4370 8.4375 8.8357 8.8367 k = 0.1111-0.0153-0.0260 ( 6098 PWs) bands (ev): -21.6626 -21.6626 -21.4200 -21.4200 -20.2716 -20.2715 -19.3965 -19.3965 -14.3672 -14.3672 -13.6474 -13.6474 -12.1556 -12.1556 -9.9003 -9.9003 -9.2101 -9.2101 -8.4030 -8.4029 -7.7141 -7.7139 -7.1491 -7.1488 -6.4574 -6.4569 -5.8388 -5.8384 -5.4154 -5.4150 -5.2009 -5.2005 -4.7425 -4.7424 -4.2601 -4.2598 -3.8374 -3.8369 -3.4228 -3.4223 -2.7276 -2.7264 -2.6139 -2.6128 -2.3176 -2.3170 -1.3668 -1.3663 -1.0617 -1.0604 -0.8170 -0.8169 -0.3491 -0.3485 -0.0200 -0.0187 3.7777 3.7778 6.4149 6.4154 6.9640 6.9658 7.5245 7.5253 8.4231 8.4236 8.8364 8.8373 k = 0.0972-0.0134-0.0227 ( 6097 PWs) bands (ev): -21.6637 -21.6637 -21.4195 -21.4195 -20.2720 -20.2719 -19.3964 -19.3964 -14.3668 -14.3668 -13.6461 -13.6461 -12.1541 -12.1541 -9.8982 -9.8982 -9.2121 -9.2121 -8.4047 -8.4047 -7.7117 -7.7115 -7.1510 -7.1508 -6.4573 -6.4569 -5.8352 -5.8349 -5.4121 -5.4118 -5.1991 -5.1987 -4.7403 -4.7402 -4.2594 -4.2592 -3.8370 -3.8365 -3.4246 -3.4242 -2.7275 -2.7265 -2.6135 -2.6126 -2.3224 -2.3218 -1.3635 -1.3631 -1.0634 -1.0622 -0.8217 -0.8216 -0.3524 -0.3518 -0.0218 -0.0207 3.7659 3.7660 6.4093 6.4097 6.9545 6.9560 7.5259 7.5266 8.4100 8.4105 8.8365 8.8373 k = 0.0833-0.0115-0.0195 ( 6097 PWs) bands (ev): -21.6646 -21.6646 -21.4190 -21.4190 -20.2723 -20.2723 -19.3964 -19.3964 -14.3664 -14.3664 -13.6450 -13.6449 -12.1528 -12.1528 -9.8964 -9.8964 -9.2140 -9.2139 -8.4063 -8.4062 -7.7095 -7.7094 -7.1527 -7.1525 -6.4573 -6.4569 -5.8321 -5.8318 -5.4093 -5.4090 -5.1975 -5.1972 -4.7383 -4.7382 -4.2588 -4.2586 -3.8366 -3.8362 -3.4262 -3.4258 -2.7277 -2.7268 -2.6132 -2.6124 -2.3265 -2.3261 -1.3605 -1.3600 -1.0650 -1.0639 -0.8258 -0.8257 -0.3552 -0.3548 -0.0234 -0.0224 3.7556 3.7557 6.4042 6.4046 6.9458 6.9471 7.5281 7.5286 8.3980 8.3984 8.8362 8.8369 k = 0.0694-0.0095-0.0162 ( 6097 PWs) bands (ev): -21.6655 -21.6655 -21.4186 -21.4186 -20.2726 -20.2726 -19.3963 -19.3963 -14.3660 -14.3660 -13.6440 -13.6440 -12.1517 -12.1516 -9.8948 -9.8948 -9.2155 -9.2155 -8.4075 -8.4075 -7.7077 -7.7076 -7.1541 -7.1540 -6.4572 -6.4569 -5.8293 -5.8291 -5.4069 -5.4067 -5.1963 -5.1960 -4.7365 -4.7365 -4.2582 -4.2580 -3.8364 -3.8360 -3.4275 -3.4272 -2.7279 -2.7272 -2.6129 -2.6122 -2.3301 -2.3297 -1.3577 -1.3573 -1.0665 -1.0656 -0.8293 -0.8292 -0.3577 -0.3573 -0.0248 -0.0240 3.7467 3.7468 6.3999 6.4002 6.9381 6.9392 7.5306 7.5311 8.3873 8.3877 8.8357 8.8363 k = 0.0556-0.0076-0.0130 ( 6096 PWs) bands (ev): -21.6661 -21.6661 -21.4183 -21.4183 -20.2729 -20.2729 -19.3963 -19.3963 -14.3658 -14.3658 -13.6432 -13.6431 -12.1507 -12.1507 -9.8935 -9.8935 -9.2168 -9.2168 -8.4086 -8.4085 -7.7061 -7.7061 -7.1553 -7.1552 -6.4572 -6.4570 -5.8270 -5.8268 -5.4050 -5.4048 -5.1952 -5.1950 -4.7350 -4.7350 -4.2576 -4.2575 -3.8362 -3.8359 -3.4286 -3.4283 -2.7281 -2.7275 -2.6127 -2.6121 -2.3329 -2.3326 -1.3552 -1.3549 -1.0678 -1.0670 -0.8322 -0.8322 -0.3597 -0.3594 -0.0259 -0.0252 3.7394 3.7395 6.3963 6.3966 6.9316 6.9325 7.5332 7.5336 8.3782 8.3785 8.8351 8.8356 k = 0.0417-0.0057-0.0097 ( 6092 PWs) bands (ev): -21.6667 -21.6667 -21.4180 -21.4180 -20.2731 -20.2731 -19.3963 -19.3963 -14.3655 -14.3655 -13.6425 -13.6425 -12.1500 -12.1500 -9.8925 -9.8925 -9.2179 -9.2179 -8.4094 -8.4094 -7.7049 -7.7049 -7.1563 -7.1562 -6.4572 -6.4570 -5.8252 -5.8250 -5.4035 -5.4033 -5.1944 -5.1943 -4.7338 -4.7337 -4.2572 -4.2570 -3.8360 -3.8358 -3.4294 -3.4292 -2.7283 -2.7279 -2.6124 -2.6120 -2.3351 -2.3349 -1.3532 -1.3530 -1.0689 -1.0683 -0.8345 -0.8344 -0.3613 -0.3611 -0.0267 -0.0263 3.7337 3.7338 6.3935 6.3937 6.9265 6.9272 7.5355 7.5358 8.3709 8.3711 8.8346 8.8349 k = 0.0278-0.0038-0.0065 ( 6096 PWs) bands (ev): -21.6670 -21.6670 -21.4178 -21.4178 -20.2732 -20.2732 -19.3963 -19.3963 -14.3654 -14.3654 -13.6421 -13.6420 -12.1495 -12.1495 -9.8917 -9.8917 -9.2186 -9.2186 -8.4100 -8.4100 -7.7040 -7.7040 -7.1569 -7.1569 -6.4572 -6.4571 -5.8239 -5.8238 -5.4024 -5.4023 -5.1939 -5.1938 -4.7329 -4.7329 -4.2568 -4.2567 -3.8359 -3.8358 -3.4300 -3.4299 -2.7285 -2.7282 -2.6123 -2.6120 -2.3367 -2.3365 -1.3517 -1.3515 -1.0697 -1.0693 -0.8361 -0.8361 -0.3624 -0.3623 -0.0273 -0.0270 3.7296 3.7296 6.3915 6.3916 6.9228 6.9232 7.5373 7.5375 8.3655 8.3657 8.8341 8.8344 k = 0.0139-0.0019-0.0032 ( 6097 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6418 -13.6418 -12.1492 -12.1491 -9.8913 -9.8913 -9.2191 -9.2191 -8.4103 -8.4103 -7.7035 -7.7035 -7.1573 -7.1573 -6.4572 -6.4572 -5.8231 -5.8230 -5.4018 -5.4017 -5.1935 -5.1935 -4.7324 -4.7323 -4.2566 -4.2565 -3.8358 -3.8358 -3.4303 -3.4303 -2.7286 -2.7284 -2.6121 -2.6120 -2.3376 -2.3375 -1.3508 -1.3507 -1.0702 -1.0699 -0.8371 -0.8371 -0.3631 -0.3630 -0.0277 -0.0275 3.7271 3.7271 6.3903 6.3903 6.9206 6.9208 7.5385 7.5386 8.3623 8.3623 8.8339 8.8340 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 k = 0.0000 0.0138-0.0028 ( 6096 PWs) bands (ev): -21.6673 -21.6673 -21.4176 -21.4176 -20.2735 -20.2735 -19.3963 -19.3963 -14.3653 -14.3653 -13.6416 -13.6416 -12.1491 -12.1490 -9.8911 -9.8911 -9.2192 -9.2191 -8.4103 -8.4102 -7.7042 -7.7041 -7.1568 -7.1567 -6.4569 -6.4569 -5.8228 -5.8228 -5.4013 -5.4013 -5.1939 -5.1938 -4.7328 -4.7327 -4.2564 -4.2563 -3.8360 -3.8360 -3.4304 -3.4303 -2.7292 -2.7289 -2.6120 -2.6115 -2.3381 -2.3375 -1.3501 -1.3500 -1.0705 -1.0703 -0.8372 -0.8370 -0.3632 -0.3631 -0.0279 -0.0279 3.7267 3.7268 6.3910 6.3910 6.9201 6.9202 7.5398 7.5399 8.3614 8.3614 8.8345 8.8346 k = 0.0000 0.0277-0.0057 ( 6098 PWs) bands (ev): -21.6671 -21.6671 -21.4173 -21.4173 -20.2740 -20.2740 -19.3963 -19.3963 -14.3656 -14.3656 -13.6415 -13.6415 -12.1491 -12.1491 -9.8911 -9.8910 -9.2189 -9.2189 -8.4097 -8.4096 -7.7067 -7.7065 -7.1548 -7.1546 -6.4562 -6.4561 -5.8230 -5.8230 -5.4008 -5.4006 -5.1954 -5.1952 -4.7346 -4.7345 -4.2560 -4.2558 -3.8365 -3.8365 -3.4301 -3.4299 -2.7307 -2.7301 -2.6114 -2.6106 -2.3383 -2.3371 -1.3492 -1.3489 -1.0710 -1.0707 -0.8364 -0.8360 -0.3628 -0.3626 -0.0286 -0.0285 3.7280 3.7281 6.3944 6.3944 6.9207 6.9209 7.5424 7.5426 8.3621 8.3621 8.8366 8.8367 k = 0.0000 0.0415-0.0085 ( 6097 PWs) bands (ev): -21.6668 -21.6668 -21.4167 -21.4167 -20.2749 -20.2749 -19.3963 -19.3963 -14.3660 -14.3660 -13.6414 -13.6413 -12.1491 -12.1491 -9.8910 -9.8909 -9.2185 -9.2185 -8.4087 -8.4086 -7.7108 -7.7106 -7.1514 -7.1511 -6.4549 -6.4548 -5.8233 -5.8232 -5.3998 -5.3996 -5.1978 -5.1975 -4.7377 -4.7374 -4.2552 -4.2550 -3.8374 -3.8373 -3.4297 -3.4294 -2.7331 -2.7322 -2.6104 -2.6091 -2.3382 -2.3365 -1.3475 -1.3471 -1.0719 -1.0715 -0.8349 -0.8344 -0.3622 -0.3619 -0.0296 -0.0295 3.7302 3.7302 6.4000 6.4000 6.9218 6.9221 7.5467 7.5470 8.3632 8.3633 8.8401 8.8403 k = 0.0000 0.0554-0.0113 ( 6093 PWs) bands (ev): -21.6664 -21.6664 -21.4160 -21.4160 -20.2761 -20.2761 -19.3964 -19.3964 -14.3666 -14.3666 -13.6411 -13.6411 -12.1491 -12.1491 -9.8909 -9.8908 -9.2180 -9.2179 -8.4073 -8.4072 -7.7164 -7.7161 -7.1468 -7.1465 -6.4531 -6.4530 -5.8236 -5.8235 -5.3984 -5.3981 -5.2011 -5.2007 -4.7419 -4.7415 -4.2542 -4.2539 -3.8386 -3.8385 -3.4290 -3.4286 -2.7363 -2.7351 -2.6089 -2.6073 -2.3381 -2.3357 -1.3451 -1.3446 -1.0730 -1.0724 -0.8329 -0.8322 -0.3613 -0.3609 -0.0310 -0.0308 3.7332 3.7333 6.4078 6.4079 6.9233 6.9237 7.5526 7.5531 8.3648 8.3649 8.8450 8.8453 k = 0.0000 0.0692-0.0142 ( 6089 PWs) bands (ev): -21.6659 -21.6659 -21.4151 -21.4151 -20.2776 -20.2776 -19.3965 -19.3965 -14.3674 -14.3673 -13.6408 -13.6408 -12.1492 -12.1491 -9.8907 -9.8906 -9.2173 -9.2172 -8.4055 -8.4054 -7.7233 -7.7229 -7.1412 -7.1408 -6.4508 -6.4506 -5.8240 -5.8238 -5.3967 -5.3963 -5.2054 -5.2048 -4.7472 -4.7468 -4.2529 -4.2525 -3.8401 -3.8400 -3.4282 -3.4277 -2.7402 -2.7387 -2.6072 -2.6052 -2.3378 -2.3349 -1.3420 -1.3414 -1.0743 -1.0736 -0.8305 -0.8296 -0.3601 -0.3596 -0.0328 -0.0326 3.7370 3.7371 6.4178 6.4179 6.9253 6.9257 7.5602 7.5608 8.3667 8.3669 8.8513 8.8516 k = 0.0000 0.0831-0.0170 ( 6091 PWs) bands (ev): -21.6653 -21.6653 -21.4140 -21.4140 -20.2795 -20.2795 -19.3966 -19.3966 -14.3683 -14.3682 -13.6404 -13.6404 -12.1492 -12.1492 -9.8905 -9.8904 -9.2165 -9.2164 -8.4034 -8.4032 -7.7314 -7.7309 -7.1347 -7.1342 -6.4479 -6.4477 -5.8244 -5.8242 -5.3946 -5.3942 -5.2104 -5.2098 -4.7538 -4.7533 -4.2514 -4.2509 -3.8419 -3.8419 -3.4272 -3.4266 -2.7448 -2.7431 -2.6052 -2.6029 -2.3372 -2.3338 -1.3383 -1.3376 -1.0758 -1.0750 -0.8275 -0.8265 -0.3587 -0.3582 -0.0349 -0.0347 3.7417 3.7418 6.4300 6.4301 6.9276 6.9282 7.5692 7.5699 8.3691 8.3692 8.8589 8.8593 k = 0.0000 0.0969-0.0198 ( 6096 PWs) bands (ev): -21.6646 -21.6646 -21.4127 -21.4127 -20.2817 -20.2817 -19.3968 -19.3968 -14.3693 -14.3693 -13.6400 -13.6399 -12.1493 -12.1492 -9.8903 -9.8901 -9.2156 -9.2154 -8.4009 -8.4007 -7.7405 -7.7400 -7.1275 -7.1269 -6.4445 -6.4443 -5.8248 -5.8246 -5.3921 -5.3917 -5.2162 -5.2155 -4.7615 -4.7609 -4.2496 -4.2490 -3.8441 -3.8440 -3.4260 -3.4253 -2.7500 -2.7480 -2.6032 -2.6006 -2.3365 -2.3326 -1.3340 -1.3331 -1.0773 -1.0765 -0.8242 -0.8231 -0.3571 -0.3566 -0.0374 -0.0371 3.7471 3.7472 6.4442 6.4444 6.9305 6.9310 7.5797 7.5805 8.3718 8.3720 8.8678 8.8682 k = 0.0000 0.1108-0.0227 ( 6097 PWs) bands (ev): -21.6637 -21.6637 -21.4112 -21.4112 -20.2841 -20.2841 -19.3969 -19.3969 -14.3705 -14.3705 -13.6395 -13.6394 -12.1493 -12.1493 -9.8900 -9.8898 -9.2145 -9.2143 -8.3981 -8.3979 -7.7504 -7.7498 -7.1197 -7.1191 -6.4406 -6.4403 -5.8252 -5.8249 -5.3894 -5.3889 -5.2227 -5.2219 -4.7703 -4.7696 -4.2476 -4.2469 -3.8465 -3.8464 -3.4246 -3.4239 -2.7556 -2.7535 -2.6011 -2.5982 -2.3354 -2.3310 -1.3290 -1.3280 -1.0790 -1.0780 -0.8206 -0.8194 -0.3554 -0.3548 -0.0403 -0.0399 3.7533 3.7534 6.4605 6.4607 6.9337 6.9343 7.5915 7.5924 8.3748 8.3750 8.8778 8.8783 k = 0.0000 0.1246-0.0255 ( 6096 PWs) bands (ev): -21.6628 -21.6628 -21.4095 -21.4095 -20.2869 -20.2869 -19.3971 -19.3971 -14.3718 -14.3718 -13.6390 -13.6389 -12.1494 -12.1494 -9.8897 -9.8895 -9.2133 -9.2131 -8.3951 -8.3948 -7.7610 -7.7604 -7.1116 -7.1110 -6.4361 -6.4357 -5.8255 -5.8252 -5.3864 -5.3858 -5.2299 -5.2290 -4.7801 -4.7794 -4.2454 -4.2447 -3.8491 -3.8490 -3.4231 -3.4223 -2.7617 -2.7594 -2.5990 -2.5960 -2.3339 -2.3292 -1.3234 -1.3223 -1.0805 -1.0795 -0.8168 -0.8155 -0.3535 -0.3528 -0.0434 -0.0429 3.7602 3.7603 6.4788 6.4789 6.9373 6.9379 7.6045 7.6055 8.3781 8.3783 8.8889 8.8895 k = 0.0000 0.1385-0.0283 ( 6091 PWs) bands (ev): -21.6619 -21.6619 -21.4077 -21.4077 -20.2899 -20.2899 -19.3973 -19.3973 -14.3732 -14.3732 -13.6384 -13.6383 -12.1495 -12.1494 -9.8894 -9.8891 -9.2121 -9.2119 -8.3917 -8.3914 -7.7720 -7.7714 -7.1032 -7.1026 -6.4310 -6.4306 -5.8256 -5.8253 -5.3831 -5.3825 -5.2376 -5.2366 -4.7910 -4.7902 -4.2431 -4.2423 -3.8520 -3.8519 -3.4215 -3.4207 -2.7681 -2.7658 -2.5972 -2.5940 -2.3321 -2.3270 -1.3173 -1.3161 -1.0820 -1.0810 -0.8128 -0.8115 -0.3515 -0.3508 -0.0467 -0.0462 3.7677 3.7679 6.4989 6.4991 6.9412 6.9419 7.6186 7.6197 8.3816 8.3819 8.9009 8.9015 k = 0.0000 0.1523-0.0312 ( 6096 PWs) bands (ev): -21.6608 -21.6608 -21.4057 -21.4057 -20.2931 -20.2931 -19.3975 -19.3975 -14.3748 -14.3747 -13.6377 -13.6376 -12.1496 -12.1495 -9.8890 -9.8887 -9.2107 -9.2105 -8.3881 -8.3878 -7.7834 -7.7828 -7.0949 -7.0942 -6.4253 -6.4249 -5.8257 -5.8254 -5.3796 -5.3790 -5.2458 -5.2447 -4.8029 -4.8020 -4.2406 -4.2399 -3.8551 -3.8550 -3.4198 -3.4189 -2.7749 -2.7725 -2.5955 -2.5922 -2.3298 -2.3244 -1.3107 -1.3095 -1.0834 -1.0822 -0.8088 -0.8074 -0.3494 -0.3487 -0.0504 -0.0498 3.7759 3.7761 6.5208 6.5210 6.9455 6.9462 7.6337 7.6349 8.3853 8.3855 8.9135 8.9141 k = 0.0000 0.1662-0.0340 ( 6095 PWs) bands (ev): -21.6597 -21.6597 -21.4036 -21.4035 -20.2966 -20.2966 -19.3977 -19.3977 -14.3764 -14.3764 -13.6370 -13.6369 -12.1497 -12.1496 -9.8886 -9.8883 -9.2094 -9.2091 -8.3844 -8.3840 -7.7950 -7.7943 -7.0866 -7.0859 -6.4191 -6.4187 -5.8255 -5.8252 -5.3760 -5.3753 -5.2544 -5.2532 -4.8157 -4.8148 -4.2381 -4.2373 -3.8583 -3.8582 -3.4181 -3.4171 -2.7820 -2.7795 -2.5942 -2.5908 -2.3271 -2.3214 -1.3037 -1.3024 -1.0845 -1.0833 -0.8047 -0.8033 -0.3472 -0.3466 -0.0542 -0.0536 3.7847 3.7849 6.5444 6.5447 6.9501 6.9508 7.6497 7.6509 8.3890 8.3893 8.9264 8.9271 k = 0.0000 0.1800-0.0368 ( 6092 PWs) bands (ev): -21.6586 -21.6586 -21.4013 -21.4013 -20.3002 -20.3002 -19.3979 -19.3979 -14.3781 -14.3781 -13.6363 -13.6362 -12.1498 -12.1497 -9.8882 -9.8879 -9.2079 -9.2077 -8.3804 -8.3801 -7.8066 -7.8060 -7.0785 -7.0778 -6.4124 -6.4119 -5.8252 -5.8248 -5.3722 -5.3714 -5.2633 -5.2620 -4.8294 -4.8284 -4.2356 -4.2347 -3.8617 -3.8615 -3.4163 -3.4153 -2.7893 -2.7867 -2.5931 -2.5897 -2.3238 -2.3180 -1.2963 -1.2950 -1.0853 -1.0840 -0.8007 -0.7993 -0.3451 -0.3445 -0.0582 -0.0575 3.7940 3.7942 6.5695 6.5699 6.9548 6.9556 7.6665 7.6678 8.3927 8.3931 8.9393 8.9400 k = 0.0000 0.1938-0.0397 ( 6086 PWs) bands (ev): -21.6574 -21.6574 -21.3989 -21.3989 -20.3040 -20.3040 -19.3981 -19.3981 -14.3798 -14.3798 -13.6356 -13.6355 -12.1498 -12.1498 -9.8877 -9.8874 -9.2065 -9.2062 -8.3764 -8.3760 -7.8182 -7.8176 -7.0707 -7.0700 -6.4051 -6.4047 -5.8246 -5.8243 -5.3684 -5.3675 -5.2723 -5.2710 -4.8439 -4.8427 -4.2330 -4.2321 -3.8651 -3.8650 -3.4145 -3.4135 -2.7968 -2.7941 -2.5925 -2.5890 -2.3200 -2.3141 -1.2886 -1.2873 -1.0857 -1.0844 -0.7968 -0.7954 -0.3429 -0.3424 -0.0624 -0.0616 3.8038 3.8040 6.5961 6.5965 6.9598 6.9605 7.6840 7.6853 8.3964 8.3968 8.9516 8.9524 k = 0.0000 0.2077-0.0425 ( 6083 PWs) bands (ev): -21.6562 -21.6562 -21.3964 -21.3964 -20.3080 -20.3080 -19.3984 -19.3984 -14.3817 -14.3817 -13.6348 -13.6347 -12.1499 -12.1499 -9.8873 -9.8870 -9.2050 -9.2047 -8.3722 -8.3719 -7.8296 -7.8290 -7.0633 -7.0627 -6.3974 -6.3969 -5.8239 -5.8235 -5.3645 -5.3636 -5.2815 -5.2801 -4.8590 -4.8578 -4.2304 -4.2295 -3.8686 -3.8684 -3.4127 -3.4117 -2.8043 -2.8017 -2.5923 -2.5888 -2.3157 -2.3097 -1.2808 -1.2795 -1.0857 -1.0844 -0.7930 -0.7917 -0.3409 -0.3404 -0.0666 -0.0657 3.8140 3.8141 6.6240 6.6244 6.9650 6.9657 7.7022 7.7036 8.4000 8.4003 8.9629 8.9637 k = 0.0000 0.2215-0.0454 ( 6084 PWs) bands (ev): -21.6550 -21.6550 -21.3939 -21.3938 -20.3120 -20.3120 -19.3986 -19.3986 -14.3835 -14.3835 -13.6340 -13.6339 -12.1500 -12.1500 -9.8868 -9.8865 -9.2035 -9.2033 -8.3680 -8.3677 -7.8408 -7.8402 -7.0564 -7.0558 -6.3892 -6.3887 -5.8228 -5.8224 -5.3607 -5.3598 -5.2905 -5.2891 -4.8747 -4.8734 -4.2279 -4.2270 -3.8721 -3.8719 -3.4110 -3.4100 -2.8120 -2.8093 -2.5924 -2.5890 -2.3109 -2.3049 -1.2729 -1.2716 -1.0853 -1.0839 -0.7895 -0.7882 -0.3389 -0.3385 -0.0710 -0.0700 3.8244 3.8246 6.6530 6.6534 6.9702 6.9709 7.7209 7.7223 8.4033 8.4037 8.9722 8.9731 k = 0.0000 0.2354-0.0482 ( 6078 PWs) bands (ev): -21.6537 -21.6537 -21.3912 -21.3912 -20.3161 -20.3161 -19.3988 -19.3988 -14.3854 -14.3854 -13.6332 -13.6331 -12.1502 -12.1501 -9.8863 -9.8860 -9.2020 -9.2018 -8.3638 -8.3634 -7.8516 -7.8510 -7.0500 -7.0494 -6.3807 -6.3802 -5.8216 -5.8211 -5.3571 -5.3562 -5.2994 -5.2978 -4.8909 -4.8896 -4.2254 -4.2245 -3.8756 -3.8754 -3.4094 -3.4084 -2.8196 -2.8170 -2.5930 -2.5897 -2.3056 -2.2997 -1.2650 -1.2637 -1.0843 -1.0829 -0.7862 -0.7849 -0.3370 -0.3366 -0.0754 -0.0743 3.8352 3.8353 6.6829 6.6834 6.9755 6.9761 7.7402 7.7417 8.4064 8.4068 8.9790 8.9798 k = 0.0000 0.2492-0.0510 ( 6076 PWs) bands (ev): -21.6525 -21.6525 -21.3885 -21.3885 -20.3203 -20.3203 -19.3991 -19.3991 -14.3873 -14.3873 -13.6324 -13.6323 -12.1503 -12.1502 -9.8858 -9.8855 -9.2006 -9.2003 -8.3597 -8.3593 -7.8620 -7.8614 -7.0441 -7.0435 -6.3718 -6.3713 -5.8200 -5.8196 -5.3540 -5.3530 -5.3078 -5.3061 -4.9075 -4.9061 -4.2230 -4.2222 -3.8790 -3.8788 -3.4079 -3.4069 -2.8272 -2.8246 -2.5940 -2.5908 -2.2998 -2.2940 -1.2573 -1.2561 -1.0827 -1.0813 -0.7832 -0.7820 -0.3353 -0.3349 -0.0797 -0.0786 3.8460 3.8462 6.7134 6.7140 6.9808 6.9814 7.7600 7.7614 8.4091 8.4094 8.9822 8.9830 k = 0.0000 0.2631-0.0539 ( 6078 PWs) bands (ev): -21.6513 -21.6513 -21.3858 -21.3858 -20.3245 -20.3245 -19.3993 -19.3993 -14.3891 -14.3891 -13.6316 -13.6314 -12.1504 -12.1503 -9.8853 -9.8850 -9.1992 -9.1990 -8.3556 -8.3552 -7.8720 -7.8714 -7.0387 -7.0382 -6.3626 -6.3621 -5.8183 -5.8178 -5.3515 -5.3506 -5.3153 -5.3135 -4.9244 -4.9228 -4.2208 -4.2199 -3.8824 -3.8822 -3.4066 -3.4055 -2.8348 -2.8322 -2.5954 -2.5924 -2.2937 -2.2881 -1.2498 -1.2486 -1.0805 -1.0791 -0.7805 -0.7793 -0.3338 -0.3333 -0.0841 -0.0829 3.8570 3.8571 6.7445 6.7451 6.9862 6.9868 7.7802 7.7817 8.4113 8.4117 8.9810 8.9818 k = 0.0000 0.2769-0.0567 ( 6078 PWs) bands (ev): -21.6501 -21.6501 -21.3831 -21.3831 -20.3287 -20.3286 -19.3995 -19.3995 -14.3910 -14.3910 -13.6308 -13.6307 -12.1505 -12.1504 -9.8848 -9.8845 -9.1979 -9.1976 -8.3516 -8.3512 -7.8814 -7.8808 -7.0339 -7.0334 -6.3533 -6.3528 -5.8163 -5.8158 -5.3505 -5.3497 -5.3212 -5.3193 -4.9413 -4.9397 -4.2187 -4.2178 -3.8856 -3.8854 -3.4053 -3.4043 -2.8421 -2.8396 -2.5971 -2.5942 -2.2873 -2.2819 -1.2427 -1.2416 -1.0776 -1.0762 -0.7781 -0.7770 -0.3324 -0.3318 -0.0884 -0.0871 3.8679 3.8680 6.7757 6.7764 6.9917 6.9922 7.8008 7.8023 8.4131 8.4134 8.9749 8.9758 k = 0.0000 0.2908-0.0595 ( 6079 PWs) bands (ev): -21.6489 -21.6489 -21.3805 -21.3804 -20.3328 -20.3327 -19.3998 -19.3998 -14.3928 -14.3928 -13.6300 -13.6299 -12.1506 -12.1505 -9.8843 -9.8840 -9.1966 -9.1963 -8.3477 -8.3474 -7.8902 -7.8897 -7.0296 -7.0291 -6.3440 -6.3435 -5.8141 -5.8136 -5.3518 -5.3510 -5.3246 -5.3227 -4.9582 -4.9566 -4.2167 -4.2159 -3.8887 -3.8885 -3.4042 -3.4032 -2.8493 -2.8469 -2.5991 -2.5964 -2.2806 -2.2755 -1.2361 -1.2350 -1.0741 -1.0727 -0.7761 -0.7750 -0.3313 -0.3305 -0.0926 -0.0913 3.8787 3.8788 6.8067 6.8075 6.9972 6.9978 7.8217 7.8233 8.4142 8.4146 8.9637 8.9645 k = 0.0000 0.3046-0.0624 ( 6083 PWs) bands (ev): -21.6478 -21.6478 -21.3778 -21.3778 -20.3368 -20.3368 -19.4000 -19.4000 -14.3946 -14.3945 -13.6292 -13.6291 -12.1507 -12.1506 -9.8839 -9.8836 -9.1954 -9.1951 -8.3440 -8.3437 -7.8985 -7.8980 -7.0259 -7.0254 -6.3346 -6.3341 -5.8117 -5.8111 -5.3555 -5.3547 -5.3254 -5.3235 -4.9750 -4.9733 -4.2149 -4.2141 -3.8916 -3.8914 -3.4033 -3.4023 -2.8562 -2.8539 -2.6013 -2.5988 -2.2738 -2.2690 -1.2299 -1.2289 -1.0700 -1.0686 -0.7743 -0.7733 -0.3302 -0.3294 -0.0967 -0.0953 3.8893 3.8894 6.8371 6.8380 7.0030 7.0036 7.8430 7.8446 8.4148 8.4151 8.9476 8.9484 k = 0.0000 0.3185-0.0652 ( 6082 PWs) bands (ev): -21.6467 -21.6467 -21.3753 -21.3753 -20.3407 -20.3406 -19.4002 -19.4002 -14.3962 -14.3962 -13.6285 -13.6284 -12.1508 -12.1507 -9.8834 -9.8831 -9.1942 -9.1940 -8.3406 -8.3402 -7.9061 -7.9056 -7.0226 -7.0222 -6.3254 -6.3249 -5.8091 -5.8085 -5.3608 -5.3598 -5.3244 -5.3226 -4.9913 -4.9896 -4.2132 -4.2124 -3.8944 -3.8941 -3.4025 -3.4015 -2.8628 -2.8606 -2.6038 -2.6014 -2.2670 -2.2625 -1.2243 -1.2234 -1.0654 -1.0640 -0.7729 -0.7719 -0.3294 -0.3285 -0.1005 -0.0992 3.8996 3.8997 6.8663 6.8673 7.0093 7.0100 7.8646 7.8662 8.4147 8.4149 8.9271 8.9279 k = 0.0000 0.3323-0.0680 ( 6087 PWs) bands (ev): -21.6457 -21.6457 -21.3728 -21.3728 -20.3444 -20.3444 -19.4004 -19.4004 -14.3978 -14.3978 -13.6278 -13.6277 -12.1509 -12.1508 -9.8830 -9.8827 -9.1932 -9.1930 -8.3373 -8.3370 -7.9130 -7.9126 -7.0198 -7.0194 -6.3164 -6.3160 -5.8064 -5.8058 -5.3666 -5.3655 -5.3227 -5.3210 -5.0072 -5.0054 -4.2117 -4.2110 -3.8969 -3.8967 -3.4018 -3.4009 -2.8691 -2.8670 -2.6063 -2.6042 -2.2603 -2.2561 -1.2193 -1.2184 -1.0603 -1.0589 -0.7718 -0.7709 -0.3288 -0.3277 -0.1042 -0.1028 3.9095 3.9096 6.8937 6.8949 7.0164 7.0172 7.8865 7.8880 8.4138 8.4141 8.9030 8.9037 k = 0.0000 0.3462-0.0709 ( 6087 PWs) bands (ev): -21.6448 -21.6448 -21.3704 -21.3704 -20.3479 -20.3479 -19.4006 -19.4006 -14.3994 -14.3993 -13.6271 -13.6270 -12.1509 -12.1509 -9.8825 -9.8823 -9.1922 -9.1920 -8.3343 -8.3340 -7.9193 -7.9190 -7.0174 -7.0170 -6.3078 -6.3073 -5.8036 -5.8030 -5.3723 -5.3712 -5.3208 -5.3191 -5.0224 -5.0206 -4.2103 -4.2097 -3.8993 -3.8990 -3.4012 -3.4004 -2.8749 -2.8730 -2.6089 -2.6070 -2.2537 -2.2498 -1.2148 -1.2141 -1.0548 -1.0535 -0.7710 -0.7701 -0.3282 -0.3272 -0.1077 -0.1063 3.9189 3.9190 6.9184 6.9197 7.0249 7.0257 7.9085 7.9100 8.4122 8.4124 8.8762 8.8769 k = 0.0000 0.3600-0.0737 ( 6080 PWs) bands (ev): -21.6439 -21.6439 -21.3682 -21.3682 -20.3512 -20.3512 -19.4007 -19.4007 -14.4008 -14.4007 -13.6265 -13.6264 -12.1510 -12.1510 -9.8821 -9.8819 -9.1913 -9.1911 -8.3315 -8.3312 -7.9250 -7.9247 -7.0153 -7.0150 -6.2996 -6.2992 -5.8007 -5.8002 -5.3777 -5.3766 -5.3189 -5.3173 -5.0367 -5.0349 -4.2091 -4.2085 -3.9014 -3.9012 -3.4008 -3.4000 -2.8803 -2.8785 -2.6114 -2.6097 -2.2474 -2.2439 -1.2110 -1.2103 -1.0492 -1.0479 -0.7704 -0.7697 -0.3279 -0.3267 -0.1109 -0.1095 3.9277 3.9279 6.9395 6.9409 7.0353 7.0363 7.9306 7.9321 8.4098 8.4100 8.8476 8.8483 k = 0.0000 0.3738-0.0765 ( 6077 PWs) bands (ev): -21.6431 -21.6431 -21.3662 -21.3662 -20.3543 -20.3543 -19.4009 -19.4009 -14.4020 -14.4020 -13.6259 -13.6258 -12.1511 -12.1510 -9.8817 -9.8815 -9.1905 -9.1903 -8.3290 -8.3288 -7.9300 -7.9297 -7.0136 -7.0134 -6.2920 -6.2916 -5.7979 -5.7974 -5.3827 -5.3815 -5.3173 -5.3157 -5.0499 -5.0482 -4.2081 -4.2076 -3.9033 -3.9031 -3.4004 -3.3997 -2.8852 -2.8836 -2.6139 -2.6124 -2.2415 -2.2384 -1.2076 -1.2070 -1.0435 -1.0423 -0.7701 -0.7694 -0.3276 -0.3265 -0.1138 -0.1125 3.9359 3.9360 6.9563 6.9576 7.0481 7.0491 7.9526 7.9541 8.4066 8.4069 8.8182 8.8189 k = 0.0000 0.3877-0.0794 ( 6083 PWs) bands (ev): -21.6424 -21.6424 -21.3643 -21.3643 -20.3570 -20.3570 -19.4010 -19.4010 -14.4032 -14.4032 -13.6254 -13.6253 -12.1512 -12.1511 -9.8814 -9.8812 -9.1898 -9.1897 -8.3269 -8.3266 -7.9344 -7.9341 -7.0123 -7.0120 -6.2850 -6.2846 -5.7951 -5.7946 -5.3870 -5.3860 -5.3159 -5.3145 -5.0620 -5.0603 -4.2072 -4.2067 -3.9050 -3.9048 -3.4002 -3.3995 -2.8896 -2.8882 -2.6162 -2.6149 -2.2361 -2.2333 -1.2048 -1.2043 -1.0379 -1.0369 -0.7700 -0.7694 -0.3274 -0.3264 -0.1164 -0.1152 3.9433 3.9434 6.9688 6.9700 7.0629 7.0638 7.9744 7.9759 8.4026 8.4029 8.7890 8.7897 k = 0.0000 0.4015-0.0822 ( 6081 PWs) bands (ev): -21.6417 -21.6417 -21.3626 -21.3626 -20.3595 -20.3595 -19.4011 -19.4011 -14.4042 -14.4042 -13.6249 -13.6249 -12.1512 -12.1512 -9.8811 -9.8809 -9.1892 -9.1891 -8.3249 -8.3247 -7.9381 -7.9379 -7.0111 -7.0109 -6.2787 -6.2784 -5.7925 -5.7920 -5.3908 -5.3898 -5.3148 -5.3135 -5.0727 -5.0711 -4.2065 -4.2060 -3.9064 -3.9063 -3.4000 -3.3994 -2.8935 -2.8922 -2.6184 -2.6173 -2.2311 -2.2287 -1.2024 -1.2020 -1.0327 -1.0317 -0.7700 -0.7694 -0.3274 -0.3264 -0.1187 -0.1176 3.9499 3.9500 6.9777 6.9787 7.0786 7.0793 7.9957 7.9971 8.3978 8.3981 8.7610 8.7617 k = 0.0000 0.4154-0.0850 ( 6085 PWs) bands (ev): -21.6412 -21.6412 -21.3612 -21.3612 -20.3616 -20.3616 -19.4012 -19.4012 -14.4051 -14.4051 -13.6245 -13.6245 -12.1513 -12.1512 -9.8808 -9.8807 -9.1887 -9.1886 -8.3233 -8.3232 -7.9413 -7.9411 -7.0102 -7.0101 -6.2733 -6.2730 -5.7901 -5.7897 -5.3940 -5.3931 -5.3140 -5.3129 -5.0819 -5.0805 -4.2058 -4.2055 -3.9077 -3.9075 -3.3998 -3.3993 -2.8968 -2.8957 -2.6203 -2.6194 -2.2268 -2.2248 -1.2005 -1.2001 -1.0279 -1.0271 -0.7701 -0.7696 -0.3273 -0.3264 -0.1206 -0.1196 3.9557 3.9557 6.9840 6.9848 7.0938 7.0944 8.0159 8.0172 8.3923 8.3927 8.7353 8.7358 k = 0.0000 0.4292-0.0879 ( 6085 PWs) bands (ev): -21.6407 -21.6407 -21.3600 -21.3600 -20.3634 -20.3634 -19.4013 -19.4013 -14.4059 -14.4058 -13.6242 -13.6241 -12.1513 -12.1513 -9.8806 -9.8805 -9.1883 -9.1882 -8.3220 -8.3219 -7.9438 -7.9436 -7.0096 -7.0094 -6.2688 -6.2685 -5.7880 -5.7876 -5.3966 -5.3958 -5.3135 -5.3125 -5.0895 -5.0883 -4.2053 -4.2050 -3.9087 -3.9086 -3.3997 -3.3993 -2.8995 -2.8986 -2.6219 -2.6211 -2.2231 -2.2215 -1.1989 -1.1986 -1.0237 -1.0230 -0.7703 -0.7699 -0.3273 -0.3266 -0.1222 -0.1214 3.9604 3.9605 6.9884 6.9890 7.1075 7.1080 8.0346 8.0357 8.3864 8.3869 8.7127 8.7132 k = 0.0000 0.4431-0.0907 ( 6079 PWs) bands (ev): -21.6404 -21.6404 -21.3590 -21.3590 -20.3648 -20.3648 -19.4014 -19.4014 -14.4064 -14.4064 -13.6239 -13.6239 -12.1513 -12.1513 -9.8804 -9.8804 -9.1879 -9.1878 -8.3210 -8.3209 -7.9457 -7.9456 -7.0090 -7.0089 -6.2652 -6.2650 -5.7863 -5.7860 -5.3985 -5.3979 -5.3131 -5.3124 -5.0954 -5.0945 -4.2049 -4.2047 -3.9094 -3.9094 -3.3996 -3.3993 -2.9016 -2.9009 -2.6231 -2.6226 -2.2202 -2.2190 -1.1977 -1.1975 -1.0203 -1.0198 -0.7704 -0.7702 -0.3273 -0.3267 -0.1234 -0.1227 3.9642 3.9642 6.9914 6.9919 7.1189 7.1192 8.0508 8.0517 8.3807 8.3811 8.6942 8.6946 k = 0.0000 0.4569-0.0935 ( 6076 PWs) bands (ev): -21.6401 -21.6401 -21.3584 -21.3584 -20.3658 -20.3658 -19.4014 -19.4014 -14.4068 -14.4068 -13.6237 -13.6237 -12.1513 -12.1513 -9.8803 -9.8802 -9.1877 -9.1876 -8.3202 -8.3202 -7.9471 -7.9470 -7.0087 -7.0086 -6.2626 -6.2624 -5.7849 -5.7847 -5.3998 -5.3994 -5.3129 -5.3124 -5.0997 -5.0990 -4.2047 -4.2045 -3.9100 -3.9099 -3.3995 -3.3993 -2.9031 -2.9026 -2.6240 -2.6237 -2.2180 -2.2172 -1.1969 -1.1967 -1.0177 -1.0174 -0.7706 -0.7704 -0.3273 -0.3269 -0.1242 -0.1238 3.9669 3.9669 6.9934 6.9937 7.1274 7.1276 8.0636 8.0643 8.3756 8.3760 8.6805 8.6807 k = 0.0000 0.4708-0.0964 ( 6071 PWs) bands (ev): -21.6400 -21.6400 -21.3579 -21.3579 -20.3664 -20.3664 -19.4015 -19.4015 -14.4071 -14.4071 -13.6236 -13.6236 -12.1513 -12.1513 -9.8802 -9.8802 -9.1875 -9.1875 -8.3198 -8.3197 -7.9479 -7.9478 -7.0084 -7.0084 -6.2610 -6.2609 -5.7841 -5.7840 -5.4006 -5.4004 -5.3127 -5.3124 -5.1021 -5.1018 -4.2045 -4.2044 -3.9103 -3.9103 -3.3995 -3.3994 -2.9039 -2.9037 -2.6245 -2.6244 -2.2166 -2.2161 -1.1964 -1.1963 -1.0161 -1.0160 -0.7707 -0.7706 -0.3272 -0.3270 -0.1246 -0.1244 3.9685 3.9686 6.9946 6.9947 7.1327 7.1328 8.0719 8.0723 8.3722 8.3724 8.6721 8.6722 k = 0.0000 0.4846-0.0992 ( 6064 PWs) bands (ev): -21.6399 -21.6399 -21.3578 -21.3578 -20.3666 -20.3666 -19.4015 -19.4015 -14.4072 -14.4072 -13.6236 -13.6236 -12.1513 -12.1513 -9.8802 -9.8802 -9.1875 -9.1875 -8.3196 -8.3196 -7.9481 -7.9481 -7.0083 -7.0083 -6.2604 -6.2604 -5.7838 -5.7838 -5.4008 -5.4008 -5.3126 -5.3126 -5.1028 -5.1028 -4.2044 -4.2044 -3.9104 -3.9104 -3.3994 -3.3994 -2.9041 -2.9041 -2.6246 -2.6246 -2.2159 -2.2159 -1.1962 -1.1962 -1.0155 -1.0155 -0.7707 -0.7707 -0.3271 -0.3271 -0.1247 -0.1247 3.9691 3.9691 6.9950 6.9950 7.1345 7.1345 8.0749 8.0749 8.3710 8.3710 8.6693 8.6693 k = 0.5000 0.4159-0.2161 ( 6096 PWs) bands (ev): -21.6112 -21.6112 -21.3712 -21.3712 -20.3546 -20.3546 -19.3938 -19.3938 -14.3809 -14.3809 -13.6270 -13.6270 -12.2092 -12.2092 -10.0721 -10.0721 -9.2221 -9.2221 -8.4223 -8.4223 -8.0079 -8.0079 -7.1397 -7.1397 -6.2514 -6.2514 -5.7857 -5.7857 -5.4738 -5.4738 -5.1480 -5.1480 -5.0340 -5.0340 -4.2754 -4.2754 -3.9498 -3.9498 -3.3580 -3.3580 -2.6888 -2.6888 -2.4570 -2.4570 -2.0951 -2.0951 -1.1687 -1.1687 -0.9212 -0.9212 -0.5751 -0.5751 -0.3263 -0.3263 -0.0301 -0.0301 4.2467 4.2467 6.7514 6.7514 7.3490 7.3490 8.2197 8.2197 8.4494 8.4494 8.8999 8.8999 k = 0.4896 0.4072-0.2116 ( 6097 PWs) bands (ev): -21.6112 -21.6112 -21.3713 -21.3713 -20.3545 -20.3545 -19.3938 -19.3938 -14.3808 -14.3808 -13.6270 -13.6270 -12.2092 -12.2092 -10.0719 -10.0719 -9.2221 -9.2221 -8.4224 -8.4223 -8.0077 -8.0077 -7.1396 -7.1395 -6.2516 -6.2515 -5.7863 -5.7861 -5.4738 -5.4738 -5.1475 -5.1474 -5.0340 -5.0339 -4.2754 -4.2753 -3.9497 -3.9495 -3.3580 -3.3580 -2.6888 -2.6887 -2.4574 -2.4571 -2.0954 -2.0951 -1.1691 -1.1690 -0.9217 -0.9214 -0.5756 -0.5751 -0.3263 -0.3258 -0.0304 -0.0302 4.2459 4.2459 6.7514 6.7515 7.3480 7.3481 8.2149 8.2152 8.4518 8.4519 8.9004 8.9006 k = 0.4792 0.3985-0.2071 ( 6097 PWs) bands (ev): -21.6114 -21.6114 -21.3715 -21.3715 -20.3543 -20.3543 -19.3939 -19.3939 -14.3808 -14.3808 -13.6270 -13.6270 -12.2090 -12.2090 -10.0714 -10.0713 -9.2221 -9.2220 -8.4223 -8.4223 -8.0072 -8.0070 -7.1391 -7.1390 -6.2519 -6.2517 -5.7879 -5.7874 -5.4739 -5.4737 -5.1462 -5.1459 -5.0338 -5.0336 -4.2755 -4.2753 -3.9491 -3.9488 -3.3580 -3.3579 -2.6889 -2.6887 -2.4583 -2.4578 -2.0961 -2.0955 -1.1702 -1.1701 -0.9229 -0.9224 -0.5766 -0.5755 -0.3260 -0.3249 -0.0308 -0.0304 4.2436 4.2437 6.7515 6.7516 7.3453 7.3455 8.2013 8.2018 8.4588 8.4591 8.9021 8.9025 k = 0.4688 0.3899-0.2026 ( 6092 PWs) bands (ev): -21.6117 -21.6117 -21.3718 -21.3718 -20.3538 -20.3538 -19.3939 -19.3939 -14.3808 -14.3807 -13.6271 -13.6270 -12.2087 -12.2087 -10.0704 -10.0703 -9.2220 -9.2220 -8.4223 -8.4222 -8.0062 -8.0060 -7.1382 -7.1381 -6.2524 -6.2521 -5.7903 -5.7896 -5.4739 -5.4737 -5.1439 -5.1434 -5.0335 -5.0332 -4.2755 -4.2752 -3.9481 -3.9476 -3.3580 -3.3579 -2.6890 -2.6887 -2.4598 -2.4590 -2.0972 -2.0963 -1.1720 -1.1718 -0.9248 -0.9241 -0.5781 -0.5765 -0.3253 -0.3237 -0.0313 -0.0307 4.2398 4.2399 6.7516 6.7517 7.3411 7.3413 8.1802 8.1808 8.4694 8.4697 8.9046 8.9052 k = 0.4583 0.3812-0.1981 ( 6083 PWs) bands (ev): -21.6120 -21.6120 -21.3722 -21.3722 -20.3531 -20.3531 -19.3939 -19.3939 -14.3807 -14.3807 -13.6271 -13.6271 -12.2083 -12.2083 -10.0690 -10.0689 -9.2219 -9.2219 -8.4223 -8.4222 -8.0048 -8.0045 -7.1370 -7.1369 -6.2531 -6.2527 -5.7936 -5.7927 -5.4739 -5.4736 -5.1408 -5.1402 -5.0329 -5.0325 -4.2756 -4.2752 -3.9466 -3.9460 -3.3579 -3.3578 -2.6891 -2.6888 -2.4617 -2.4607 -2.0987 -2.0974 -1.1744 -1.1742 -0.9275 -0.9265 -0.5800 -0.5779 -0.3243 -0.3221 -0.0321 -0.0313 4.2345 4.2346 6.7516 6.7518 7.3354 7.3357 8.1531 8.1539 8.4825 8.4829 8.9075 8.9082 k = 0.4479 0.3725-0.1936 ( 6085 PWs) bands (ev): -21.6125 -21.6125 -21.3727 -21.3727 -20.3523 -20.3523 -19.3939 -19.3939 -14.3806 -14.3805 -13.6272 -13.6272 -12.2079 -12.2078 -10.0672 -10.0671 -9.2218 -9.2218 -8.4222 -8.4221 -8.0030 -8.0027 -7.1355 -7.1353 -6.2541 -6.2536 -5.7976 -5.7965 -5.4738 -5.4735 -5.1371 -5.1364 -5.0321 -5.0315 -4.2756 -4.2752 -3.9448 -3.9440 -3.3579 -3.3577 -2.6893 -2.6888 -2.4642 -2.4629 -2.1005 -2.0990 -1.1776 -1.1773 -0.9307 -0.9295 -0.5824 -0.5798 -0.3231 -0.3204 -0.0330 -0.0320 4.2278 4.2279 6.7514 6.7516 7.3287 7.3290 8.1214 8.1223 8.4973 8.4977 8.9103 8.9111 k = 0.4375 0.3639-0.1891 ( 6083 PWs) bands (ev): -21.6131 -21.6131 -21.3734 -21.3734 -20.3513 -20.3513 -19.3940 -19.3940 -14.3804 -14.3804 -13.6273 -13.6273 -12.2073 -12.2072 -10.0651 -10.0650 -9.2217 -9.2216 -8.4221 -8.4220 -8.0008 -8.0005 -7.1337 -7.1335 -6.2553 -6.2547 -5.8022 -5.8009 -5.4738 -5.4734 -5.1330 -5.1322 -5.0308 -5.0300 -4.2756 -4.2751 -3.9425 -3.9416 -3.3579 -3.3577 -2.6895 -2.6889 -2.4671 -2.4655 -2.1028 -2.1009 -1.1813 -1.1810 -0.9346 -0.9332 -0.5851 -0.5821 -0.3216 -0.3185 -0.0340 -0.0328 4.2197 4.2198 6.7509 6.7512 7.3213 7.3217 8.0860 8.0871 8.5132 8.5136 8.9123 8.9133 k = 0.4271 0.3552-0.1846 ( 6081 PWs) bands (ev): -21.6138 -21.6138 -21.3741 -21.3741 -20.3502 -20.3502 -19.3940 -19.3940 -14.3803 -14.3803 -13.6275 -13.6275 -12.2066 -12.2065 -10.0626 -10.0624 -9.2216 -9.2215 -8.4221 -8.4219 -7.9982 -7.9978 -7.1316 -7.1314 -6.2568 -6.2561 -5.8072 -5.8058 -5.4738 -5.4733 -5.1287 -5.1279 -5.0288 -5.0280 -4.2757 -4.2750 -3.9399 -3.9388 -3.3579 -3.3576 -2.6897 -2.6890 -2.4705 -2.4687 -2.1054 -2.1032 -1.1857 -1.1853 -0.9389 -0.9373 -0.5881 -0.5848 -0.3201 -0.3165 -0.0351 -0.0337 4.2103 4.2105 6.7500 6.7504 7.3136 7.3141 8.0480 8.0491 8.5298 8.5302 8.9134 8.9144 k = 0.4167 0.3465-0.1801 ( 6078 PWs) bands (ev): -21.6146 -21.6146 -21.3750 -21.3750 -20.3488 -20.3488 -19.3941 -19.3941 -14.3801 -14.3801 -13.6276 -13.6276 -12.2057 -12.2057 -10.0597 -10.0595 -9.2214 -9.2213 -8.4219 -8.4218 -7.9952 -7.9947 -7.1293 -7.1290 -6.2586 -6.2579 -5.8126 -5.8110 -5.4737 -5.4732 -5.1246 -5.1237 -5.0262 -5.0251 -4.2756 -4.2750 -3.9369 -3.9357 -3.3579 -3.3576 -2.6900 -2.6892 -2.4743 -2.4722 -2.1084 -2.1060 -1.1907 -1.1902 -0.9437 -0.9419 -0.5915 -0.5879 -0.3185 -0.3146 -0.0362 -0.0346 4.1997 4.1999 6.7485 6.7489 7.3061 7.3066 8.0078 8.0090 8.5468 8.5472 8.9130 8.9142 k = 0.4062 0.3379-0.1756 ( 6075 PWs) bands (ev): -21.6155 -21.6154 -21.3760 -21.3760 -20.3473 -20.3473 -19.3941 -19.3941 -14.3799 -14.3799 -13.6278 -13.6278 -12.2048 -12.2048 -10.0565 -10.0563 -9.2212 -9.2211 -8.4218 -8.4216 -7.9918 -7.9913 -7.1268 -7.1265 -6.2609 -6.2600 -5.8182 -5.8165 -5.4735 -5.4730 -5.1208 -5.1199 -5.0225 -5.0213 -4.2756 -4.2749 -3.9336 -3.9323 -3.3579 -3.3577 -2.6903 -2.6894 -2.4784 -2.4761 -2.1119 -2.1091 -1.1962 -1.1957 -0.9489 -0.9470 -0.5953 -0.5914 -0.3171 -0.3129 -0.0373 -0.0355 4.1879 4.1881 6.7462 6.7467 7.2991 7.2996 7.9662 7.9675 8.5640 8.5644 8.9111 8.9124 k = 0.3958 0.3292-0.1711 ( 6077 PWs) bands (ev): -21.6164 -21.6164 -21.3770 -21.3770 -20.3457 -20.3457 -19.3942 -19.3942 -14.3796 -14.3796 -13.6280 -13.6280 -12.2038 -12.2038 -10.0530 -10.0528 -9.2210 -9.2209 -8.4217 -8.4215 -7.9880 -7.9874 -7.1241 -7.1238 -6.2635 -6.2626 -5.8238 -5.8220 -5.4734 -5.4728 -5.1176 -5.1167 -5.0178 -5.0164 -4.2755 -4.2748 -3.9300 -3.9286 -3.3580 -3.3577 -2.6906 -2.6897 -2.4829 -2.4803 -2.1158 -2.1127 -1.2022 -1.2016 -0.9545 -0.9523 -0.5993 -0.5953 -0.3158 -0.3113 -0.0383 -0.0364 4.1751 4.1754 6.7430 6.7436 7.2930 7.2936 7.9235 7.9248 8.5810 8.5815 8.9075 8.9089 k = 0.3854 0.3206-0.1666 ( 6078 PWs) bands (ev): -21.6175 -21.6175 -21.3782 -21.3782 -20.3439 -20.3439 -19.3942 -19.3942 -14.3794 -14.3794 -13.6282 -13.6282 -12.2027 -12.2027 -10.0491 -10.0489 -9.2208 -9.2206 -8.4215 -8.4213 -7.9837 -7.9831 -7.1213 -7.1210 -6.2665 -6.2656 -5.8293 -5.8275 -5.4731 -5.4726 -5.1153 -5.1143 -5.0120 -5.0104 -4.2754 -4.2746 -3.9262 -3.9247 -3.3582 -3.3579 -2.6910 -2.6900 -2.4876 -2.4849 -2.1200 -2.1167 -1.2086 -1.2080 -0.9602 -0.9579 -0.6036 -0.5994 -0.3147 -0.3100 -0.0392 -0.0372 4.1614 4.1616 6.7387 6.7394 7.2882 7.2889 7.8800 7.8814 8.5977 8.5982 8.9022 8.9037 k = 0.3750 0.3119-0.1621 ( 6076 PWs) bands (ev): -21.6187 -21.6187 -21.3794 -21.3794 -20.3420 -20.3420 -19.3943 -19.3943 -14.3791 -14.3791 -13.6285 -13.6284 -12.2015 -12.2015 -10.0450 -10.0448 -9.2206 -9.2204 -8.4214 -8.4211 -7.9790 -7.9783 -7.1184 -7.1181 -6.2701 -6.2690 -5.8346 -5.8327 -5.4728 -5.4722 -5.1138 -5.1128 -5.0049 -5.0032 -4.2753 -4.2744 -3.9221 -3.9205 -3.3585 -3.3581 -2.6915 -2.6904 -2.4927 -2.4897 -2.1247 -2.1211 -1.2154 -1.2148 -0.9662 -0.9637 -0.6082 -0.6039 -0.3140 -0.3091 -0.0400 -0.0378 4.1468 4.1471 6.7334 6.7342 7.2849 7.2857 7.8362 7.8377 8.6138 8.6144 8.8953 8.8967 k = 0.3646 0.3032-0.1576 ( 6080 PWs) bands (ev): -21.6199 -21.6199 -21.3807 -21.3807 -20.3400 -20.3400 -19.3944 -19.3944 -14.3788 -14.3788 -13.6288 -13.6287 -12.2002 -12.2002 -10.0406 -10.0404 -9.2203 -9.2201 -8.4212 -8.4209 -7.9739 -7.9732 -7.1155 -7.1151 -6.2741 -6.2730 -5.8396 -5.8377 -5.4724 -5.4718 -5.1132 -5.1122 -4.9968 -4.9950 -4.2750 -4.2741 -3.9179 -3.9162 -3.3588 -3.3584 -2.6921 -2.6909 -2.4979 -2.4947 -2.1298 -2.1259 -1.2226 -1.2220 -0.9722 -0.9696 -0.6131 -0.6087 -0.3136 -0.3086 -0.0406 -0.0383 4.1315 4.1318 6.7269 6.7278 7.2834 7.2843 7.7923 7.7938 8.6290 8.6298 8.8867 8.8882 k = 0.3542 0.2946-0.1531 ( 6076 PWs) bands (ev): -21.6213 -21.6212 -21.3820 -21.3820 -20.3379 -20.3378 -19.3945 -19.3944 -14.3785 -14.3785 -13.6291 -13.6290 -12.1988 -12.1988 -10.0360 -10.0357 -9.2201 -9.2199 -8.4210 -8.4207 -7.9684 -7.9676 -7.1126 -7.1122 -6.2786 -6.2774 -5.8442 -5.8423 -5.4718 -5.4712 -5.1134 -5.1124 -4.9878 -4.9859 -4.2747 -4.2738 -3.9135 -3.9118 -3.3592 -3.3588 -2.6927 -2.6915 -2.5032 -2.4999 -2.1353 -2.1312 -1.2301 -1.2294 -0.9782 -0.9756 -0.6182 -0.6138 -0.3136 -0.3085 -0.0410 -0.0385 4.1155 4.1158 6.7193 6.7203 7.2837 7.2847 7.7484 7.7500 8.6433 8.6441 8.8766 8.8781 k = 0.3438 0.2859-0.1486 ( 6074 PWs) bands (ev): -21.6227 -21.6227 -21.3835 -21.3834 -20.3356 -20.3356 -19.3945 -19.3945 -14.3781 -14.3781 -13.6294 -13.6293 -12.1974 -12.1973 -10.0311 -10.0309 -9.2198 -9.2196 -8.4208 -8.4205 -7.9625 -7.9617 -7.1098 -7.1093 -6.2835 -6.2824 -5.8483 -5.8464 -5.4712 -5.4705 -5.1143 -5.1134 -4.9780 -4.9760 -4.2744 -4.2735 -3.9090 -3.9072 -3.3598 -3.3593 -2.6934 -2.6922 -2.5087 -2.5052 -2.1411 -2.1368 -1.2377 -1.2371 -0.9843 -0.9815 -0.6237 -0.6193 -0.3140 -0.3088 -0.0411 -0.0386 4.0991 4.0994 6.7107 6.7117 7.2859 7.2869 7.7048 7.7064 8.6562 8.6572 8.8651 8.8667 k = 0.3333 0.2772-0.1441 ( 6084 PWs) bands (ev): -21.6241 -21.6241 -21.3849 -21.3849 -20.3333 -20.3333 -19.3946 -19.3946 -14.3778 -14.3777 -13.6297 -13.6297 -12.1958 -12.1958 -10.0261 -10.0258 -9.2196 -9.2193 -8.4205 -8.4202 -7.9561 -7.9553 -7.1070 -7.1065 -6.2890 -6.2878 -5.8519 -5.8500 -5.4703 -5.4697 -5.1158 -5.1149 -4.9676 -4.9656 -4.2740 -4.2731 -3.9044 -3.9027 -3.3605 -3.3600 -2.6943 -2.6930 -2.5143 -2.5107 -2.1474 -2.1428 -1.2455 -1.2449 -0.9902 -0.9873 -0.6294 -0.6250 -0.3148 -0.3096 -0.0411 -0.0385 4.0822 4.0825 6.7011 6.7022 7.2899 7.2910 7.6616 7.6632 8.6677 8.6687 8.8526 8.8541 k = 0.3229 0.2686-0.1396 ( 6071 PWs) bands (ev): -21.6257 -21.6257 -21.3864 -21.3864 -20.3309 -20.3308 -19.3947 -19.3947 -14.3774 -14.3773 -13.6301 -13.6300 -12.1942 -12.1941 -10.0208 -10.0205 -9.2193 -9.2190 -8.4203 -8.4200 -7.9494 -7.9485 -7.1044 -7.1039 -6.2949 -6.2937 -5.8549 -5.8531 -5.4693 -5.4687 -5.1179 -5.1170 -4.9568 -4.9547 -4.2735 -4.2726 -3.8998 -3.8980 -3.3614 -3.3608 -2.6952 -2.6938 -2.5199 -2.5161 -2.1539 -2.1491 -1.2534 -1.2527 -0.9961 -0.9931 -0.6354 -0.6311 -0.3160 -0.3108 -0.0408 -0.0382 4.0650 4.0653 6.6908 6.6919 7.2955 7.2966 7.6189 7.6205 8.6773 8.6786 8.8392 8.8408 k = 0.3125 0.2599-0.1350 ( 6077 PWs) bands (ev): -21.6273 -21.6273 -21.3879 -21.3879 -20.3284 -20.3284 -19.3948 -19.3948 -14.3770 -14.3769 -13.6304 -13.6304 -12.1925 -12.1925 -10.0154 -10.0151 -9.2190 -9.2188 -8.4200 -8.4197 -7.9422 -7.9413 -7.1021 -7.1016 -6.3012 -6.3000 -5.8574 -5.8556 -5.4682 -5.4675 -5.1203 -5.1194 -4.9457 -4.9436 -4.2729 -4.2720 -3.8953 -3.8935 -3.3624 -3.3618 -2.6963 -2.6949 -2.5254 -2.5216 -2.1608 -2.1558 -1.2613 -1.2606 -1.0018 -0.9987 -0.6417 -0.6375 -0.3175 -0.3125 -0.0404 -0.0378 4.0476 4.0479 6.6799 6.6811 7.3025 7.3037 7.5769 7.5785 8.6848 8.6862 8.8256 8.8272 k = 0.3021 0.2512-0.1305 ( 6081 PWs) bands (ev): -21.6290 -21.6290 -21.3894 -21.3894 -20.3258 -20.3258 -19.3949 -19.3949 -14.3765 -14.3765 -13.6308 -13.6308 -12.1908 -12.1907 -10.0098 -10.0095 -9.2188 -9.2185 -8.4197 -8.4194 -7.9347 -7.9337 -7.1000 -7.0994 -6.3080 -6.3067 -5.8593 -5.8575 -5.4669 -5.4662 -5.1231 -5.1222 -4.9344 -4.9323 -4.2723 -4.2714 -3.8907 -3.8889 -3.3636 -3.3630 -2.6975 -2.6960 -2.5309 -2.5270 -2.1680 -2.1628 -1.2692 -1.2685 -1.0073 -1.0041 -0.6483 -0.6441 -0.3194 -0.3145 -0.0398 -0.0372 4.0300 4.0304 6.6685 6.6697 7.3105 7.3117 7.5359 7.5375 8.6897 8.6912 8.8123 8.8140 k = 0.2917 0.2426-0.1260 ( 6077 PWs) bands (ev): -21.6307 -21.6307 -21.3910 -21.3910 -20.3232 -20.3232 -19.3949 -19.3949 -14.3761 -14.3761 -13.6312 -13.6312 -12.1890 -12.1889 -10.0042 -10.0039 -9.2185 -9.2183 -8.4194 -8.4191 -7.9267 -7.9258 -7.0982 -7.0976 -6.3150 -6.3137 -5.8606 -5.8589 -5.4654 -5.4647 -5.1262 -5.1253 -4.9230 -4.9209 -4.2716 -4.2708 -3.8862 -3.8845 -3.3650 -3.3644 -2.6988 -2.6973 -2.5363 -2.5323 -2.1754 -2.1701 -1.2769 -1.2762 -1.0126 -1.0094 -0.6552 -0.6511 -0.3216 -0.3168 -0.0390 -0.0364 4.0125 4.0128 6.6569 6.6582 7.3191 7.3202 7.4963 7.4979 8.6910 8.6926 8.8004 8.8021 k = 0.2812 0.2339-0.1215 ( 6082 PWs) bands (ev): -21.6324 -21.6324 -21.3925 -21.3925 -20.3206 -20.3206 -19.3950 -19.3950 -14.3756 -14.3756 -13.6317 -13.6316 -12.1872 -12.1871 -9.9984 -9.9981 -9.2183 -9.2180 -8.4191 -8.4188 -7.9184 -7.9174 -7.0967 -7.0961 -6.3223 -6.3211 -5.8614 -5.8598 -5.4636 -5.4630 -5.1295 -5.1286 -4.9116 -4.9095 -4.2708 -4.2700 -3.8819 -3.8801 -3.3666 -3.3659 -2.7002 -2.6987 -2.5416 -2.5375 -2.1830 -2.1776 -1.2844 -1.2837 -1.0177 -1.0144 -0.6623 -0.6584 -0.3239 -0.3193 -0.0381 -0.0356 3.9950 3.9953 6.6453 6.6465 7.3269 7.3280 7.4591 7.4605 8.6881 8.6898 8.7910 8.7927 k = 0.2708 0.2253-0.1170 ( 6076 PWs) bands (ev): -21.6342 -21.6342 -21.3940 -21.3940 -20.3180 -20.3180 -19.3951 -19.3951 -14.3751 -14.3751 -13.6321 -13.6320 -12.1853 -12.1852 -9.9926 -9.9923 -9.2180 -9.2178 -8.4188 -8.4184 -7.9098 -7.9088 -7.0956 -7.0950 -6.3298 -6.3286 -5.8617 -5.8602 -5.4617 -5.4611 -5.1329 -5.1320 -4.9003 -4.8983 -4.2700 -4.2693 -3.8777 -3.8759 -3.3684 -3.3677 -2.7018 -2.7002 -2.5467 -2.5426 -2.1909 -2.1853 -1.2917 -1.2910 -1.0225 -1.0192 -0.6697 -0.6660 -0.3265 -0.3220 -0.0372 -0.0347 3.9776 3.9780 6.6336 6.6348 7.3314 7.3322 7.4269 7.4280 8.6805 8.6821 8.7848 8.7865 k = 0.2604 0.2166-0.1125 ( 6077 PWs) bands (ev): -21.6360 -21.6360 -21.3956 -21.3956 -20.3153 -20.3153 -19.3952 -19.3952 -14.3746 -14.3746 -13.6326 -13.6325 -12.1833 -12.1832 -9.9867 -9.9864 -9.2178 -9.2176 -8.4184 -8.4181 -7.9008 -7.8998 -7.0949 -7.0943 -6.3374 -6.3362 -5.8615 -5.8601 -5.4597 -5.4590 -5.1364 -5.1356 -4.8891 -4.8871 -4.2691 -4.2684 -3.8736 -3.8719 -3.3704 -3.3696 -2.7035 -2.7018 -2.5516 -2.5475 -2.1989 -2.1932 -1.2986 -1.2980 -1.0271 -1.0238 -0.6774 -0.6738 -0.3292 -0.3249 -0.0362 -0.0337 3.9605 3.9608 6.6221 6.6233 7.3259 7.3266 7.4061 7.4067 8.6685 8.6700 8.7817 8.7833 k = 0.2500 0.2079-0.1080 ( 6076 PWs) bands (ev): -21.6379 -21.6379 -21.3971 -21.3971 -20.3127 -20.3126 -19.3953 -19.3953 -14.3741 -14.3741 -13.6330 -13.6330 -12.1814 -12.1813 -9.9808 -9.9806 -9.2177 -9.2174 -8.4180 -8.4177 -7.8915 -7.8905 -7.0947 -7.0940 -6.3451 -6.3440 -5.8609 -5.8596 -5.4574 -5.4568 -5.1400 -5.1392 -4.8781 -4.8762 -4.2682 -4.2676 -3.8697 -3.8681 -3.3726 -3.3718 -2.7053 -2.7036 -2.5562 -2.5522 -2.2070 -2.2012 -1.3052 -1.3046 -1.0315 -1.0281 -0.6853 -0.6818 -0.3319 -0.3278 -0.0351 -0.0328 3.9437 3.9440 6.6109 6.6120 7.3048 7.3061 7.4012 7.4022 8.6532 8.6545 8.7810 8.7826 k = 0.2396 0.1993-0.1035 ( 6077 PWs) bands (ev): -21.6397 -21.6397 -21.3986 -21.3986 -20.3100 -20.3100 -19.3954 -19.3954 -14.3736 -14.3736 -13.6335 -13.6335 -12.1794 -12.1793 -9.9750 -9.9747 -9.2175 -9.2173 -8.4177 -8.4173 -7.8819 -7.8809 -7.0949 -7.0942 -6.3528 -6.3517 -5.8600 -5.8587 -5.4550 -5.4544 -5.1437 -5.1428 -4.8673 -4.8655 -4.2672 -4.2667 -3.8660 -3.8645 -3.3749 -3.3742 -2.7072 -2.7054 -2.5607 -2.5567 -2.2151 -2.2093 -1.3114 -1.3108 -1.0356 -1.0323 -0.6935 -0.6901 -0.3346 -0.3308 -0.0341 -0.0318 3.9272 3.9275 6.5999 6.6010 7.2745 7.2761 7.4069 7.4081 8.6357 8.6369 8.7819 8.7835 k = 0.2292 0.1906-0.0990 ( 6081 PWs) bands (ev): -21.6416 -21.6416 -21.4001 -21.4001 -20.3074 -20.3074 -19.3954 -19.3954 -14.3731 -14.3731 -13.6340 -13.6339 -12.1774 -12.1773 -9.9691 -9.9689 -9.2174 -9.2172 -8.4173 -8.4170 -7.8721 -7.8711 -7.0955 -7.0949 -6.3605 -6.3594 -5.8587 -5.8575 -5.4524 -5.4518 -5.1473 -5.1465 -4.8568 -4.8551 -4.2663 -4.2658 -3.8626 -3.8611 -3.3775 -3.3767 -2.7091 -2.7073 -2.5649 -2.5610 -2.2234 -2.2175 -1.3171 -1.3166 -1.0395 -1.0362 -0.7018 -0.6986 -0.3373 -0.3337 -0.0331 -0.0309 3.9111 3.9114 6.5892 6.5902 7.2413 7.2430 7.4168 7.4182 8.6169 8.6180 8.7837 8.7853 k = 0.2188 0.1819-0.0945 ( 6077 PWs) bands (ev): -21.6434 -21.6434 -21.4015 -21.4015 -20.3048 -20.3048 -19.3955 -19.3955 -14.3726 -14.3726 -13.6345 -13.6344 -12.1754 -12.1753 -9.9634 -9.9631 -9.2173 -9.2171 -8.4169 -8.4166 -7.8621 -7.8611 -7.0967 -7.0960 -6.3681 -6.3671 -5.8572 -5.8561 -5.4496 -5.4491 -5.1509 -5.1501 -4.8466 -4.8450 -4.2653 -4.2649 -3.8593 -3.8579 -3.3803 -3.3795 -2.7111 -2.7093 -2.5689 -2.5651 -2.2316 -2.2257 -1.3224 -1.3219 -1.0432 -1.0398 -0.7102 -0.7072 -0.3400 -0.3366 -0.0322 -0.0301 3.8955 3.8958 6.5788 6.5798 7.2075 7.2093 7.4283 7.4296 8.5975 8.5985 8.7862 8.7878 k = 0.2083 0.1733-0.0900 ( 6079 PWs) bands (ev): -21.6453 -21.6453 -21.4029 -21.4029 -20.3022 -20.3022 -19.3956 -19.3956 -14.3721 -14.3720 -13.6350 -13.6349 -12.1734 -12.1733 -9.9577 -9.9574 -9.2172 -9.2170 -8.4165 -8.4162 -7.8519 -7.8509 -7.0983 -7.0976 -6.3755 -6.3746 -5.8554 -5.8544 -5.4468 -5.4462 -5.1545 -5.1537 -4.8368 -4.8352 -4.2644 -4.2640 -3.8563 -3.8550 -3.3832 -3.3824 -2.7131 -2.7112 -2.5727 -2.5690 -2.2398 -2.2339 -1.3272 -1.3267 -1.0466 -1.0433 -0.7188 -0.7160 -0.3425 -0.3394 -0.0313 -0.0293 3.8804 3.8807 6.5686 6.5695 7.1744 7.1762 7.4402 7.4416 8.5779 8.5789 8.7892 8.7907 k = 0.1979 0.1646-0.0855 ( 6079 PWs) bands (ev): -21.6471 -21.6471 -21.4042 -21.4042 -20.2997 -20.2997 -19.3956 -19.3956 -14.3715 -14.3715 -13.6355 -13.6354 -12.1715 -12.1714 -9.9521 -9.9518 -9.2172 -9.2170 -8.4160 -8.4157 -7.8415 -7.8406 -7.1003 -7.0996 -6.3828 -6.3819 -5.8534 -5.8525 -5.4438 -5.4433 -5.1580 -5.1572 -4.8272 -4.8257 -4.2635 -4.2631 -3.8535 -3.8523 -3.3863 -3.3854 -2.7151 -2.7132 -2.5763 -2.5726 -2.2479 -2.2420 -1.3315 -1.3310 -1.0498 -1.0465 -0.7275 -0.7248 -0.3449 -0.3420 -0.0306 -0.0286 3.8659 3.8662 6.5585 6.5594 7.1424 7.1443 7.4521 7.4535 8.5585 8.5593 8.7925 8.7940 k = 0.1875 0.1559-0.0810 ( 6085 PWs) bands (ev): -21.6489 -21.6489 -21.4056 -21.4056 -20.2973 -20.2973 -19.3957 -19.3957 -14.3710 -14.3710 -13.6360 -13.6360 -12.1695 -12.1694 -9.9466 -9.9463 -9.2172 -9.2170 -8.4156 -8.4153 -7.8311 -7.8301 -7.1027 -7.1020 -6.3899 -6.3890 -5.8513 -5.8504 -5.4408 -5.4403 -5.1614 -5.1606 -4.8181 -4.8166 -4.2626 -4.2623 -3.8510 -3.8498 -3.3894 -3.3886 -2.7171 -2.7151 -2.5796 -2.5761 -2.2559 -2.2501 -1.3353 -1.3348 -1.0527 -1.0495 -0.7362 -0.7337 -0.3472 -0.3445 -0.0299 -0.0280 3.8520 3.8523 6.5485 6.5493 7.1120 7.1139 7.4636 7.4650 8.5395 8.5402 8.7961 8.7975 k = 0.1771 0.1473-0.0765 ( 6086 PWs) bands (ev): -21.6506 -21.6506 -21.4068 -21.4068 -20.2950 -20.2950 -19.3958 -19.3958 -14.3705 -14.3705 -13.6365 -13.6365 -12.1676 -12.1675 -9.9413 -9.9410 -9.2173 -9.2171 -8.4152 -8.4149 -7.8207 -7.8197 -7.1056 -7.1049 -6.3967 -6.3958 -5.8491 -5.8483 -5.4376 -5.4372 -5.1647 -5.1639 -4.8093 -4.8080 -4.2618 -4.2615 -3.8487 -3.8476 -3.3927 -3.3919 -2.7189 -2.7169 -2.5828 -2.5794 -2.2637 -2.2580 -1.3386 -1.3381 -1.0554 -1.0522 -0.7448 -0.7425 -0.3493 -0.3468 -0.0293 -0.0275 3.8387 3.8390 6.5385 6.5393 7.0833 7.0853 7.4746 7.4760 8.5210 8.5217 8.7998 8.8013 k = 0.1667 0.1386-0.0720 ( 6096 PWs) bands (ev): -21.6523 -21.6523 -21.4080 -21.4080 -20.2927 -20.2927 -19.3958 -19.3958 -14.3700 -14.3700 -13.6370 -13.6370 -12.1658 -12.1657 -9.9361 -9.9358 -9.2173 -9.2171 -8.4148 -8.4145 -7.8102 -7.8093 -7.1088 -7.1081 -6.4032 -6.4024 -5.8468 -5.8461 -5.4345 -5.4341 -5.1679 -5.1671 -4.8009 -4.7997 -4.2610 -4.2607 -3.8467 -3.8457 -3.3960 -3.3952 -2.7207 -2.7186 -2.5858 -2.5826 -2.2713 -2.2657 -1.3415 -1.3410 -1.0578 -1.0548 -0.7534 -0.7512 -0.3512 -0.3489 -0.0288 -0.0272 3.8261 3.8263 6.5284 6.5290 7.0568 7.0588 7.4848 7.4862 8.5032 8.5039 8.8038 8.8052 k = 0.1562 0.1300-0.0675 ( 6100 PWs) bands (ev): -21.6540 -21.6540 -21.4091 -21.4091 -20.2905 -20.2905 -19.3959 -19.3959 -14.3695 -14.3695 -13.6375 -13.6375 -12.1640 -12.1639 -9.9311 -9.9309 -9.2174 -9.2172 -8.4144 -8.4141 -7.7999 -7.7990 -7.1123 -7.1116 -6.4094 -6.4087 -5.8445 -5.8438 -5.4313 -5.4310 -5.1709 -5.1701 -4.7930 -4.7918 -4.2603 -4.2600 -3.8449 -3.8439 -3.3993 -3.3985 -2.7223 -2.7202 -2.5886 -2.5856 -2.2787 -2.2733 -1.3438 -1.3434 -1.0601 -1.0571 -0.7619 -0.7599 -0.3530 -0.3509 -0.0284 -0.0268 3.8142 3.8144 6.5180 6.5186 7.0327 7.0346 7.4943 7.4956 8.4862 8.4869 8.8078 8.8092 k = 0.1458 0.1213-0.0630 ( 6099 PWs) bands (ev): -21.6555 -21.6555 -21.4102 -21.4102 -20.2884 -20.2884 -19.3959 -19.3959 -14.3690 -14.3690 -13.6380 -13.6379 -12.1622 -12.1622 -9.9264 -9.9261 -9.2175 -9.2174 -8.4140 -8.4137 -7.7897 -7.7888 -7.1161 -7.1154 -6.4153 -6.4146 -5.8422 -5.8416 -5.4282 -5.4279 -5.1737 -5.1730 -4.7855 -4.7844 -4.2597 -4.2594 -3.8433 -3.8424 -3.4027 -3.4019 -2.7237 -2.7217 -2.5913 -2.5884 -2.2858 -2.2806 -1.3458 -1.3453 -1.0620 -1.0592 -0.7702 -0.7683 -0.3546 -0.3527 -0.0281 -0.0266 3.8029 3.8032 6.5073 6.5078 7.0110 7.0129 7.5028 7.5041 8.4702 8.4708 8.8118 8.8131 k = 0.1354 0.1126-0.0585 ( 6092 PWs) bands (ev): -21.6570 -21.6570 -21.4112 -21.4112 -20.2865 -20.2864 -19.3960 -19.3960 -14.3685 -14.3685 -13.6384 -13.6384 -12.1606 -12.1605 -9.9218 -9.9216 -9.2177 -9.2175 -8.4135 -8.4133 -7.7797 -7.7789 -7.1200 -7.1194 -6.4209 -6.4202 -5.8399 -5.8394 -5.4251 -5.4248 -5.1764 -5.1757 -4.7784 -4.7774 -4.2591 -4.2588 -3.8419 -3.8411 -3.4059 -3.4052 -2.7250 -2.7230 -2.5938 -2.5911 -2.2926 -2.2876 -1.3474 -1.3469 -1.0638 -1.0610 -0.7783 -0.7765 -0.3560 -0.3543 -0.0278 -0.0265 3.7925 3.7927 6.4963 6.4968 6.9919 6.9939 7.5103 7.5116 8.4551 8.4556 8.8157 8.8170 k = 0.1250 0.1040-0.0540 ( 6097 PWs) bands (ev): -21.6585 -21.6585 -21.4122 -21.4121 -20.2846 -20.2846 -19.3960 -19.3960 -14.3681 -14.3681 -13.6389 -13.6388 -12.1590 -12.1589 -9.9176 -9.9173 -9.2178 -9.2177 -8.4132 -8.4129 -7.7700 -7.7692 -7.1241 -7.1235 -6.4261 -6.4255 -5.8377 -5.8372 -5.4221 -5.4218 -5.1789 -5.1782 -4.7718 -4.7708 -4.2586 -4.2583 -3.8407 -3.8400 -3.4091 -3.4084 -2.7261 -2.7241 -2.5963 -2.5937 -2.2990 -2.2943 -1.3486 -1.3481 -1.0653 -1.0627 -0.7861 -0.7844 -0.3573 -0.3558 -0.0276 -0.0264 3.7827 3.7829 6.4850 6.4855 6.9755 6.9774 7.5169 7.5181 8.4410 8.4415 8.8194 8.8206 k = 0.1146 0.0953-0.0495 ( 6097 PWs) bands (ev): -21.6598 -21.6598 -21.4130 -21.4130 -20.2829 -20.2829 -19.3961 -19.3961 -14.3677 -14.3677 -13.6393 -13.6392 -12.1575 -12.1574 -9.9135 -9.9133 -9.2180 -9.2178 -8.4128 -8.4126 -7.7606 -7.7599 -7.1282 -7.1276 -6.4309 -6.4304 -5.8355 -5.8351 -5.4192 -5.4189 -5.1812 -5.1806 -4.7656 -4.7648 -4.2582 -4.2579 -3.8397 -3.8390 -3.4122 -3.4115 -2.7270 -2.7251 -2.5985 -2.5962 -2.3051 -2.3006 -1.3495 -1.3491 -1.0666 -1.0641 -0.7935 -0.7920 -0.3584 -0.3571 -0.0275 -0.0264 3.7737 3.7739 6.4736 6.4739 6.9617 6.9636 7.5224 7.5236 8.4281 8.4285 8.8227 8.8239 k = 0.1042 0.0866-0.0450 ( 6099 PWs) bands (ev): -21.6611 -21.6611 -21.4138 -21.4138 -20.2813 -20.2813 -19.3961 -19.3961 -14.3673 -14.3673 -13.6397 -13.6396 -12.1561 -12.1561 -9.9098 -9.9096 -9.2181 -9.2180 -8.4124 -8.4122 -7.7517 -7.7510 -7.1324 -7.1318 -6.4354 -6.4349 -5.8335 -5.8331 -5.4164 -5.4162 -5.1833 -5.1827 -4.7600 -4.7592 -4.2578 -4.2575 -3.8388 -3.8383 -3.4151 -3.4145 -2.7278 -2.7259 -2.6007 -2.5986 -2.3107 -2.3065 -1.3501 -1.3497 -1.0676 -1.0654 -0.8005 -0.7992 -0.3594 -0.3582 -0.0275 -0.0265 3.7655 3.7657 6.4620 6.4624 6.9504 6.9522 7.5270 7.5281 8.4162 8.4167 8.8257 8.8268 k = 0.0938 0.0780-0.0405 ( 6103 PWs) bands (ev): -21.6622 -21.6622 -21.4145 -21.4145 -20.2798 -20.2798 -19.3961 -19.3961 -14.3669 -14.3669 -13.6400 -13.6400 -12.1548 -12.1548 -9.9064 -9.9062 -9.2183 -9.2182 -8.4121 -8.4119 -7.7433 -7.7427 -7.1364 -7.1359 -6.4395 -6.4391 -5.8316 -5.8313 -5.4138 -5.4136 -5.1853 -5.1847 -4.7548 -4.7541 -4.2575 -4.2572 -3.8381 -3.8376 -3.4179 -3.4172 -2.7283 -2.7265 -2.6027 -2.6008 -2.3159 -2.3120 -1.3506 -1.3502 -1.0685 -1.0664 -0.8071 -0.8059 -0.3602 -0.3592 -0.0275 -0.0266 3.7581 3.7582 6.4506 6.4509 6.9414 6.9431 7.5306 7.5317 8.4055 8.4059 8.8281 8.8292 k = 0.0833 0.0693-0.0360 ( 6107 PWs) bands (ev): -21.6633 -21.6633 -21.4152 -21.4152 -20.2785 -20.2785 -19.3961 -19.3961 -14.3666 -14.3666 -13.6404 -13.6403 -12.1537 -12.1536 -9.9033 -9.9031 -9.2185 -9.2184 -8.4118 -8.4116 -7.7356 -7.7350 -7.1404 -7.1399 -6.4431 -6.4428 -5.8299 -5.8296 -5.4114 -5.4112 -5.1870 -5.1865 -4.7502 -4.7496 -4.2573 -4.2570 -3.8375 -3.8371 -3.4204 -3.4198 -2.7287 -2.7270 -2.6046 -2.6028 -2.3206 -2.3170 -1.3508 -1.3505 -1.0692 -1.0673 -0.8132 -0.8121 -0.3610 -0.3601 -0.0275 -0.0267 3.7514 3.7515 6.4395 6.4398 6.9344 6.9360 7.5334 7.5344 8.3960 8.3964 8.8301 8.8311 k = 0.0729 0.0606-0.0315 ( 6109 PWs) bands (ev): -21.6642 -21.6642 -21.4158 -21.4158 -20.2773 -20.2773 -19.3962 -19.3962 -14.3663 -14.3663 -13.6407 -13.6407 -12.1526 -12.1526 -9.9005 -9.9004 -9.2186 -9.2186 -8.4115 -8.4113 -7.7284 -7.7279 -7.1440 -7.1436 -6.4464 -6.4461 -5.8283 -5.8280 -5.4092 -5.4091 -5.1885 -5.1881 -4.7460 -4.7455 -4.2571 -4.2568 -3.8371 -3.8367 -3.4227 -3.4222 -2.7289 -2.7274 -2.6063 -2.6048 -2.3247 -2.3216 -1.3509 -1.3506 -1.0697 -1.0680 -0.8187 -0.8177 -0.3616 -0.3608 -0.0276 -0.0269 3.7455 3.7456 6.4290 6.4293 6.9293 6.9307 7.5355 7.5364 8.3877 8.3880 8.8315 8.8324 k = 0.0625 0.0520-0.0270 ( 6108 PWs) bands (ev): -21.6650 -21.6650 -21.4163 -21.4163 -20.2762 -20.2762 -19.3962 -19.3962 -14.3660 -14.3660 -13.6409 -13.6409 -12.1517 -12.1516 -9.8981 -9.8980 -9.2188 -9.2187 -8.4112 -8.4111 -7.7221 -7.7216 -7.1474 -7.1470 -6.4493 -6.4490 -5.8269 -5.8267 -5.4072 -5.4071 -5.1899 -5.1894 -4.7424 -4.7420 -4.2569 -4.2567 -3.8367 -3.8364 -3.4247 -3.4243 -2.7291 -2.7277 -2.6078 -2.6065 -2.3284 -2.3256 -1.3509 -1.3506 -1.0700 -1.0686 -0.8235 -0.8227 -0.3621 -0.3615 -0.0276 -0.0270 3.7404 3.7405 6.4194 6.4196 6.9256 6.9268 7.5369 7.5377 8.3805 8.3808 8.8326 8.8333 k = 0.0521 0.0433-0.0225 ( 6102 PWs) bands (ev): -21.6657 -21.6657 -21.4167 -21.4167 -20.2754 -20.2754 -19.3962 -19.3962 -14.3658 -14.3658 -13.6412 -13.6411 -12.1509 -12.1508 -9.8960 -9.8959 -9.2189 -9.2189 -8.4110 -8.4109 -7.7165 -7.7161 -7.1503 -7.1500 -6.4517 -6.4514 -5.8257 -5.8255 -5.4055 -5.4054 -5.1910 -5.1906 -4.7393 -4.7390 -4.2568 -4.2566 -3.8364 -3.8362 -3.4265 -3.4261 -2.7291 -2.7279 -2.6092 -2.6080 -2.3314 -2.3291 -1.3509 -1.3506 -1.0703 -1.0690 -0.8277 -0.8270 -0.3625 -0.3620 -0.0277 -0.0272 3.7361 3.7362 6.4108 6.4110 6.9231 6.9242 7.5378 7.5385 8.3745 8.3748 8.8332 8.8338 k = 0.0417 0.0347-0.0180 ( 6101 PWs) bands (ev): -21.6663 -21.6663 -21.4170 -21.4170 -20.2746 -20.2746 -19.3962 -19.3962 -14.3656 -14.3656 -13.6414 -13.6413 -12.1502 -12.1502 -9.8943 -9.8942 -9.2190 -9.2190 -8.4108 -8.4107 -7.7119 -7.7116 -7.1528 -7.1526 -6.4537 -6.4535 -5.8246 -5.8245 -5.4041 -5.4040 -5.1919 -5.1916 -4.7368 -4.7365 -4.2567 -4.2565 -3.8362 -3.8360 -3.4279 -3.4276 -2.7291 -2.7281 -2.6103 -2.6093 -2.3339 -2.3321 -1.3508 -1.3506 -1.0704 -1.0694 -0.8312 -0.8307 -0.3629 -0.3624 -0.0277 -0.0273 3.7326 3.7326 6.4035 6.4037 6.9215 6.9224 7.5384 7.5390 8.3696 8.3699 8.8335 8.8341 k = 0.0312 0.0260-0.0135 ( 6105 PWs) bands (ev): -21.6668 -21.6668 -21.4173 -21.4173 -20.2741 -20.2741 -19.3962 -19.3962 -14.3655 -14.3655 -13.6415 -13.6415 -12.1497 -12.1497 -9.8929 -9.8928 -9.2191 -9.2191 -8.4107 -8.4106 -7.7082 -7.7080 -7.1548 -7.1546 -6.4552 -6.4551 -5.8238 -5.8237 -5.4030 -5.4030 -5.1926 -5.1923 -4.7348 -4.7346 -4.2566 -4.2565 -3.8360 -3.8359 -3.4290 -3.4288 -2.7290 -2.7282 -2.6111 -2.6104 -2.3358 -2.3344 -1.3507 -1.3505 -1.0704 -1.0697 -0.8340 -0.8336 -0.3631 -0.3628 -0.0278 -0.0275 3.7298 3.7299 6.3976 6.3978 6.9205 6.9212 7.5387 7.5391 8.3659 8.3661 8.8337 8.8341 k = 0.0208 0.0173-0.0090 ( 6102 PWs) bands (ev): -21.6671 -21.6671 -21.4175 -21.4175 -20.2736 -20.2736 -19.3962 -19.3962 -14.3653 -14.3653 -13.6416 -13.6416 -12.1493 -12.1493 -9.8919 -9.8919 -9.2192 -9.2192 -8.4106 -8.4105 -7.7055 -7.7054 -7.1563 -7.1562 -6.4563 -6.4562 -5.8233 -5.8232 -5.4022 -5.4022 -5.1930 -5.1929 -4.7334 -4.7332 -4.2566 -4.2565 -3.8359 -3.8358 -3.4298 -3.4297 -2.7288 -2.7283 -2.6117 -2.6112 -2.3371 -2.3362 -1.3506 -1.3504 -1.0704 -1.0699 -0.8359 -0.8357 -0.3632 -0.3630 -0.0278 -0.0276 3.7279 3.7279 6.3933 6.3934 6.9201 6.9205 7.5388 7.5391 8.3632 8.3634 8.8337 8.8340 k = 0.0104 0.0087-0.0045 ( 6095 PWs) bands (ev): -21.6673 -21.6673 -21.4176 -21.4176 -20.2734 -20.2734 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8913 -9.8913 -9.2192 -9.2192 -8.4105 -8.4105 -7.7039 -7.7038 -7.1572 -7.1571 -6.4570 -6.4569 -5.8229 -5.8229 -5.4017 -5.4017 -5.1933 -5.1932 -4.7325 -4.7324 -4.2565 -4.2565 -3.8358 -3.8358 -3.4303 -3.4302 -2.7287 -2.7285 -2.6120 -2.6118 -2.3378 -2.3373 -1.3505 -1.3504 -1.0703 -1.0701 -0.8371 -0.8369 -0.3633 -0.3632 -0.0278 -0.0277 3.7267 3.7267 6.3907 6.3908 6.9199 6.9201 7.5389 7.5391 8.3617 8.3617 8.8338 8.8339 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 k = 0.0000 0.0000 0.0140 ( 6101 PWs) bands (ev): -21.6672 -21.6672 -21.4179 -21.4179 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6418 -13.6418 -12.1487 -12.1487 -9.8916 -9.8916 -9.2193 -9.2193 -8.4103 -8.4103 -7.7031 -7.7031 -7.1574 -7.1573 -6.4576 -6.4575 -5.8226 -5.8225 -5.4015 -5.4014 -5.1929 -5.1929 -4.7323 -4.7323 -4.2569 -4.2568 -3.8362 -3.8362 -3.4301 -3.4301 -2.7289 -2.7288 -2.6120 -2.6119 -2.3378 -2.3378 -1.3507 -1.3505 -1.0701 -1.0699 -0.8375 -0.8375 -0.3634 -0.3632 -0.0278 -0.0277 3.7263 3.7263 6.3899 6.3900 6.9208 6.9211 7.5380 7.5382 8.3611 8.3612 8.8338 8.8340 k = 0.0000 0.0000 0.0281 ( 6101 PWs) bands (ev): -21.6668 -21.6668 -21.4184 -21.4184 -20.2731 -20.2731 -19.3962 -19.3962 -14.3653 -14.3653 -13.6423 -13.6423 -12.1477 -12.1476 -9.8929 -9.8928 -9.2196 -9.2195 -8.4098 -8.4098 -7.7026 -7.7025 -7.1570 -7.1569 -6.4586 -6.4584 -5.8219 -5.8219 -5.4013 -5.4013 -5.1915 -5.1914 -4.7327 -4.7326 -4.2580 -4.2578 -3.8375 -3.8374 -3.4292 -3.4290 -2.7298 -2.7296 -2.6119 -2.6118 -2.3375 -2.3374 -1.3512 -1.3509 -1.0694 -1.0691 -0.8378 -0.8377 -0.3634 -0.3632 -0.0278 -0.0276 3.7264 3.7264 6.3901 6.3901 6.9238 6.9242 7.5352 7.5357 8.3608 8.3610 8.8339 8.8343 k = 0.0000 0.0000 0.0421 ( 6103 PWs) bands (ev): -21.6661 -21.6661 -21.4194 -21.4194 -20.2729 -20.2729 -19.3961 -19.3961 -14.3654 -14.3654 -13.6430 -13.6430 -12.1459 -12.1459 -9.8950 -9.8949 -9.2200 -9.2199 -8.4090 -8.4090 -7.7016 -7.7016 -7.1564 -7.1562 -6.4603 -6.4600 -5.8209 -5.8208 -5.4011 -5.4009 -5.1892 -5.1890 -4.7334 -4.7332 -4.2598 -4.2596 -3.8395 -3.8394 -3.4276 -3.4274 -2.7312 -2.7309 -2.6117 -2.6115 -2.3370 -2.3369 -1.3519 -1.3515 -1.0683 -1.0677 -0.8382 -0.8380 -0.3635 -0.3632 -0.0279 -0.0276 3.7265 3.7265 6.3904 6.3905 6.9287 6.9294 7.5308 7.5315 8.3603 8.3606 8.8342 8.8347 k = 0.0000 0.0000 0.0561 ( 6096 PWs) bands (ev): -21.6652 -21.6652 -21.4206 -21.4206 -20.2725 -20.2725 -19.3960 -19.3960 -14.3656 -14.3656 -13.6440 -13.6440 -12.1436 -12.1436 -9.8978 -9.8978 -9.2205 -9.2205 -8.4080 -8.4080 -7.7003 -7.7002 -7.1555 -7.1553 -6.4627 -6.4623 -5.8194 -5.8193 -5.4006 -5.4004 -5.1860 -5.1858 -4.7343 -4.7340 -4.2622 -4.2619 -3.8422 -3.8421 -3.4255 -3.4251 -2.7330 -2.7327 -2.6113 -2.6111 -2.3363 -2.3361 -1.3530 -1.3524 -1.0666 -1.0659 -0.8387 -0.8385 -0.3636 -0.3632 -0.0279 -0.0275 3.7266 3.7266 6.3908 6.3910 6.9356 6.9364 7.5247 7.5257 8.3594 8.3599 8.8347 8.8355 k = 0.0000 0.0000 0.0702 ( 6101 PWs) bands (ev): -21.6640 -21.6640 -21.4223 -21.4223 -20.2721 -20.2720 -19.3959 -19.3959 -14.3657 -14.3657 -13.6452 -13.6452 -12.1406 -12.1406 -9.9014 -9.9014 -9.2212 -9.2211 -8.4067 -8.4066 -7.6987 -7.6986 -7.1544 -7.1541 -6.4656 -6.4651 -5.8176 -5.8175 -5.3999 -5.3997 -5.1821 -5.1818 -4.7354 -4.7350 -4.2652 -4.2649 -3.8456 -3.8454 -3.4228 -3.4224 -2.7354 -2.7350 -2.6109 -2.6107 -2.3355 -2.3353 -1.3542 -1.3535 -1.0645 -1.0637 -0.8394 -0.8391 -0.3637 -0.3631 -0.0280 -0.0275 3.7268 3.7268 6.3915 6.3916 6.9442 6.9453 7.5170 7.5182 8.3581 8.3586 8.8356 8.8365 k = 0.0000 0.0000 0.0842 ( 6099 PWs) bands (ev): -21.6626 -21.6626 -21.4242 -21.4242 -20.2715 -20.2715 -19.3958 -19.3958 -14.3660 -14.3659 -13.6466 -13.6466 -12.1372 -12.1372 -9.9056 -9.9056 -9.2220 -9.2219 -8.4051 -8.4051 -7.6968 -7.6967 -7.1530 -7.1526 -6.4692 -6.4686 -5.8156 -5.8154 -5.3989 -5.3987 -5.1775 -5.1771 -4.7367 -4.7363 -4.2688 -4.2684 -3.8496 -3.8494 -3.4197 -3.4192 -2.7380 -2.7376 -2.6104 -2.6102 -2.3346 -2.3343 -1.3557 -1.3549 -1.0621 -1.0611 -0.8402 -0.8398 -0.3638 -0.3631 -0.0280 -0.0274 3.7269 3.7270 6.3923 6.3925 6.9545 6.9558 7.5078 7.5092 8.3562 8.3568 8.8369 8.8380 k = 0.0000 0.0000 0.0982 ( 6106 PWs) bands (ev): -21.6610 -21.6610 -21.4264 -21.4264 -20.2709 -20.2709 -19.3957 -19.3957 -14.3662 -14.3662 -13.6483 -13.6483 -12.1333 -12.1333 -9.9104 -9.9103 -9.2229 -9.2228 -8.4035 -8.4034 -7.6947 -7.6945 -7.1513 -7.1509 -6.4733 -6.4726 -5.8133 -5.8131 -5.3977 -5.3974 -5.1723 -5.1719 -4.7382 -4.7378 -4.2728 -4.2724 -3.8541 -3.8539 -3.4162 -3.4157 -2.7410 -2.7405 -2.6099 -2.6096 -2.3335 -2.3332 -1.3573 -1.3565 -1.0592 -1.0582 -0.8411 -0.8407 -0.3639 -0.3632 -0.0281 -0.0274 3.7272 3.7272 6.3934 6.3937 6.9664 6.9678 7.4972 7.4988 8.3535 8.3542 8.8387 8.8400 k = 0.0000 0.0000 0.1123 ( 6106 PWs) bands (ev): -21.6592 -21.6592 -21.4288 -21.4288 -20.2703 -20.2703 -19.3955 -19.3955 -14.3664 -14.3664 -13.6500 -13.6500 -12.1290 -12.1290 -9.9155 -9.9155 -9.2239 -9.2238 -8.4017 -8.4016 -7.6923 -7.6921 -7.1494 -7.1490 -6.4778 -6.4771 -5.8109 -5.8107 -5.3961 -5.3958 -5.1666 -5.1662 -4.7400 -4.7395 -4.2771 -4.2767 -3.8589 -3.8587 -3.4125 -3.4119 -2.7442 -2.7437 -2.6093 -2.6090 -2.3323 -2.3320 -1.3591 -1.3583 -1.0561 -1.0549 -0.8422 -0.8417 -0.3639 -0.3632 -0.0281 -0.0274 3.7274 3.7274 6.3948 6.3950 6.9795 6.9812 7.4853 7.4871 8.3501 8.3508 8.8410 8.8424 k = 0.0000 0.0000 0.1263 ( 6103 PWs) bands (ev): -21.6572 -21.6572 -21.4314 -21.4314 -20.2696 -20.2696 -19.3954 -19.3954 -14.3667 -14.3667 -13.6519 -13.6519 -12.1245 -12.1245 -9.9210 -9.9210 -9.2249 -9.2248 -8.3998 -8.3997 -7.6897 -7.6895 -7.1473 -7.1469 -6.4828 -6.4820 -5.8084 -5.8082 -5.3941 -5.3939 -5.1606 -5.1602 -4.7419 -4.7414 -4.2818 -4.2813 -3.8641 -3.8638 -3.4086 -3.4080 -2.7475 -2.7470 -2.6087 -2.6083 -2.3311 -2.3308 -1.3611 -1.3601 -1.0527 -1.0515 -0.8433 -0.8428 -0.3640 -0.3632 -0.0281 -0.0274 3.7276 3.7277 6.3964 6.3967 6.9939 6.9957 7.4722 7.4742 8.3458 8.3466 8.8438 8.8452 k = 0.0000 0.0000 0.1403 ( 6100 PWs) bands (ev): -21.6552 -21.6551 -21.4341 -21.4341 -20.2689 -20.2689 -19.3952 -19.3952 -14.3670 -14.3670 -13.6538 -13.6538 -12.1198 -12.1198 -9.9267 -9.9266 -9.2260 -9.2259 -8.3979 -8.3978 -7.6870 -7.6868 -7.1450 -7.1445 -6.4880 -6.4873 -5.8059 -5.8057 -5.3919 -5.3917 -5.1543 -5.1539 -4.7439 -4.7434 -4.2866 -4.2861 -3.8694 -3.8691 -3.4046 -3.4040 -2.7509 -2.7504 -2.6080 -2.6077 -2.3299 -2.3296 -1.3630 -1.3621 -1.0491 -1.0479 -0.8445 -0.8441 -0.3640 -0.3632 -0.0281 -0.0274 3.7279 3.7279 6.3983 6.3986 7.0093 7.0112 7.4580 7.4602 8.3409 8.3417 8.8469 8.8484 k = 0.0000 0.0000 0.1544 ( 6102 PWs) bands (ev): -21.6530 -21.6530 -21.4369 -21.4369 -20.2682 -20.2682 -19.3951 -19.3951 -14.3672 -14.3672 -13.6557 -13.6557 -12.1151 -12.1151 -9.9324 -9.9323 -9.2270 -9.2270 -8.3960 -8.3959 -7.6843 -7.6841 -7.1425 -7.1420 -6.4935 -6.4927 -5.8035 -5.8033 -5.3894 -5.3892 -5.1480 -5.1475 -4.7461 -4.7456 -4.2914 -4.2910 -3.8747 -3.8745 -3.4006 -3.4000 -2.7543 -2.7538 -2.6073 -2.6070 -2.3287 -2.3284 -1.3650 -1.3641 -1.0454 -1.0442 -0.8458 -0.8453 -0.3641 -0.3633 -0.0282 -0.0275 3.7281 3.7282 6.4004 6.4006 7.0254 7.0275 7.4430 7.4452 8.3354 8.3362 8.8503 8.8518 k = 0.0000 0.0000 0.1684 ( 6100 PWs) bands (ev): -21.6509 -21.6508 -21.4398 -21.4398 -20.2675 -20.2675 -19.3949 -19.3949 -14.3675 -14.3675 -13.6576 -13.6576 -12.1104 -12.1104 -9.9380 -9.9380 -9.2281 -9.2280 -8.3942 -8.3941 -7.6816 -7.6814 -7.1399 -7.1394 -6.4990 -6.4983 -5.8012 -5.8009 -5.3868 -5.3866 -5.1416 -5.1411 -4.7483 -4.7478 -4.2963 -4.2958 -3.8800 -3.8797 -3.3967 -3.3962 -2.7576 -2.7571 -2.6066 -2.6063 -2.3275 -2.3272 -1.3670 -1.3661 -1.0417 -1.0405 -0.8472 -0.8467 -0.3641 -0.3633 -0.0282 -0.0275 3.7284 3.7284 6.4026 6.4029 7.0423 7.0444 7.4272 7.4296 8.3294 8.3302 8.8539 8.8554 k = 0.0000 0.0000 0.1824 ( 6103 PWs) bands (ev): -21.6487 -21.6487 -21.4426 -21.4426 -20.2668 -20.2668 -19.3947 -19.3947 -14.3678 -14.3678 -13.6594 -13.6594 -12.1059 -12.1059 -9.9435 -9.9435 -9.2291 -9.2291 -8.3924 -8.3924 -7.6790 -7.6787 -7.1372 -7.1368 -6.5045 -6.5038 -5.7990 -5.7988 -5.3840 -5.3838 -5.1353 -5.1349 -4.7506 -4.7501 -4.3009 -4.3005 -3.8851 -3.8848 -3.3930 -3.3925 -2.7607 -2.7603 -2.6060 -2.6057 -2.3265 -2.3261 -1.3689 -1.3681 -1.0380 -1.0369 -0.8485 -0.8480 -0.3641 -0.3633 -0.0282 -0.0275 3.7286 3.7286 6.4050 6.4052 7.0595 7.0618 7.4108 7.4133 8.3233 8.3240 8.8574 8.8589 k = 0.0000 0.0000 0.1965 ( 6105 PWs) bands (ev): -21.6466 -21.6466 -21.4453 -21.4453 -20.2662 -20.2662 -19.3946 -19.3946 -14.3680 -14.3680 -13.6611 -13.6611 -12.1016 -12.1016 -9.9487 -9.9486 -9.2301 -9.2300 -8.3908 -8.3908 -7.6764 -7.6762 -7.1346 -7.1342 -6.5099 -6.5092 -5.7971 -5.7968 -5.3812 -5.3811 -5.1293 -5.1289 -4.7529 -4.7524 -4.3054 -4.3050 -3.8899 -3.8896 -3.3896 -3.3891 -2.7636 -2.7632 -2.6054 -2.6051 -2.3255 -2.3251 -1.3707 -1.3699 -1.0345 -1.0334 -0.8498 -0.8494 -0.3640 -0.3633 -0.0282 -0.0276 3.7288 3.7288 6.4074 6.4076 7.0769 7.0793 7.3941 7.3967 8.3171 8.3178 8.8609 8.8623 k = 0.0000 0.0000 0.2105 ( 6104 PWs) bands (ev): -21.6447 -21.6447 -21.4478 -21.4478 -20.2656 -20.2656 -19.3944 -19.3944 -14.3683 -14.3683 -13.6627 -13.6627 -12.0977 -12.0976 -9.9534 -9.9533 -9.2310 -9.2309 -8.3894 -8.3893 -7.6741 -7.6740 -7.1321 -7.1317 -6.5149 -6.5143 -5.7953 -5.7951 -5.3786 -5.3784 -5.1237 -5.1234 -4.7550 -4.7546 -4.3094 -4.3091 -3.8942 -3.8940 -3.3864 -3.3860 -2.7663 -2.7659 -2.6048 -2.6046 -2.3245 -2.3243 -1.3723 -1.3716 -1.0312 -1.0302 -0.8511 -0.8506 -0.3640 -0.3634 -0.0282 -0.0277 3.7290 3.7290 6.4097 6.4099 7.0943 7.0967 7.3774 7.3799 8.3113 8.3119 8.8641 8.8653 k = 0.0000 0.0000 0.2245 ( 6101 PWs) bands (ev): -21.6429 -21.6429 -21.4500 -21.4500 -20.2651 -20.2651 -19.3943 -19.3943 -14.3685 -14.3685 -13.6641 -13.6641 -12.0942 -12.0941 -9.9576 -9.9575 -9.2317 -9.2317 -8.3881 -8.3881 -7.6721 -7.6719 -7.1298 -7.1294 -6.5194 -6.5188 -5.7938 -5.7936 -5.3761 -5.3760 -5.1186 -5.1183 -4.7570 -4.7566 -4.3130 -4.3128 -3.8981 -3.8980 -3.3837 -3.3833 -2.7686 -2.7682 -2.6043 -2.6041 -2.3237 -2.3235 -1.3738 -1.3732 -1.0282 -1.0274 -0.8522 -0.8518 -0.3640 -0.3634 -0.0282 -0.0277 3.7292 3.7292 6.4118 6.4120 7.1114 7.1137 7.3609 7.3634 8.3059 8.3064 8.8669 8.8680 k = 0.0000 0.0000 0.2385 ( 6100 PWs) bands (ev): -21.6414 -21.6414 -21.4520 -21.4520 -20.2647 -20.2647 -19.3942 -19.3942 -14.3686 -14.3686 -13.6652 -13.6652 -12.0912 -12.0912 -9.9611 -9.9611 -9.2324 -9.2324 -8.3871 -8.3870 -7.6703 -7.6702 -7.1277 -7.1274 -6.5233 -6.5228 -5.7926 -5.7924 -5.3739 -5.3738 -5.1143 -5.1140 -4.7588 -4.7585 -4.3161 -4.3159 -3.9014 -3.9013 -3.3814 -3.3810 -2.7705 -2.7703 -2.6038 -2.6037 -2.3230 -2.3228 -1.3750 -1.3745 -1.0256 -1.0249 -0.8532 -0.8529 -0.3639 -0.3634 -0.0282 -0.0278 3.7293 3.7293 6.4138 6.4139 7.1276 7.1299 7.3452 7.3475 8.3012 8.3017 8.8694 8.8703 k = 0.0000 0.0000 0.2526 ( 6099 PWs) bands (ev): -21.6401 -21.6401 -21.4536 -21.4536 -20.2643 -20.2643 -19.3941 -19.3941 -14.3688 -14.3688 -13.6662 -13.6662 -12.0888 -12.0888 -9.9640 -9.9639 -9.2329 -9.2329 -8.3862 -8.3862 -7.6689 -7.6688 -7.1260 -7.1257 -6.5265 -6.5261 -5.7916 -5.7915 -5.3721 -5.3721 -5.1107 -5.1105 -4.7603 -4.7600 -4.3186 -4.3184 -3.9041 -3.9040 -3.3795 -3.3792 -2.7721 -2.7718 -2.6035 -2.6034 -2.3225 -2.3224 -1.3760 -1.3756 -1.0235 -1.0230 -0.8540 -0.8538 -0.3638 -0.3635 -0.0282 -0.0279 3.7294 3.7295 6.4154 6.4155 7.1425 7.1444 7.3309 7.3330 8.2974 8.2978 8.8713 8.8720 k = 0.0000 0.0000 0.2666 ( 6098 PWs) bands (ev): -21.6392 -21.6392 -21.4548 -21.4548 -20.2641 -20.2641 -19.3941 -19.3941 -14.3689 -14.3689 -13.6668 -13.6668 -12.0870 -12.0870 -9.9661 -9.9660 -9.2333 -9.2333 -8.3856 -8.3856 -7.6678 -7.6678 -7.1247 -7.1245 -6.5288 -6.5286 -5.7909 -5.7908 -5.3708 -5.3707 -5.1080 -5.1079 -4.7614 -4.7612 -4.3204 -4.3203 -3.9060 -3.9059 -3.3781 -3.3780 -2.7732 -2.7730 -2.6032 -2.6031 -2.3221 -2.3220 -1.3767 -1.3764 -1.0219 -1.0215 -0.8546 -0.8544 -0.3638 -0.3635 -0.0281 -0.0279 3.7295 3.7295 6.4166 6.4167 7.1549 7.1564 7.3191 7.3207 8.2946 8.2948 8.8728 8.8733 k = 0.0000 0.0000 0.2806 ( 6103 PWs) bands (ev): -21.6386 -21.6386 -21.4555 -21.4555 -20.2639 -20.2639 -19.3940 -19.3940 -14.3689 -14.3689 -13.6673 -13.6673 -12.0860 -12.0860 -9.9673 -9.9673 -9.2336 -9.2335 -8.3852 -8.3852 -7.6672 -7.6672 -7.1239 -7.1238 -6.5302 -6.5301 -5.7905 -5.7904 -5.3700 -5.3699 -5.1063 -5.1063 -4.7620 -4.7619 -4.3215 -4.3214 -3.9072 -3.9071 -3.3773 -3.3772 -2.7738 -2.7738 -2.6030 -2.6030 -2.3219 -2.3218 -1.3771 -1.3769 -1.0209 -1.0207 -0.8550 -0.8549 -0.3637 -0.3636 -0.0281 -0.0280 3.7296 3.7296 6.4173 6.4174 7.1635 7.1644 7.3112 7.3121 8.2929 8.2930 8.8737 8.8739 k = 0.0000 0.0000 0.2947 ( 6102 PWs) bands (ev): -21.6384 -21.6384 -21.4557 -21.4557 -20.2639 -20.2639 -19.3940 -19.3940 -14.3690 -14.3690 -13.6674 -13.6674 -12.0856 -12.0856 -9.9677 -9.9677 -9.2336 -9.2336 -8.3851 -8.3851 -7.6670 -7.6670 -7.1236 -7.1236 -6.5306 -6.5306 -5.7903 -5.7903 -5.3697 -5.3697 -5.1058 -5.1058 -4.7622 -4.7622 -4.3218 -4.3218 -3.9075 -3.9075 -3.3770 -3.3770 -2.7740 -2.7740 -2.6030 -2.6030 -2.3218 -2.3218 -1.3771 -1.3771 -1.0205 -1.0205 -0.8551 -0.8551 -0.3636 -0.3636 -0.0280 -0.0280 3.7296 3.7296 6.4176 6.4176 7.1670 7.1670 7.3087 7.3087 8.2924 8.2924 8.8741 8.8741 k = 0.5000-0.0688 0.1778 ( 6056 PWs) bands (ev): -21.6476 -21.6476 -21.4083 -21.4083 -20.2671 -20.2671 -19.4007 -19.4007 -14.3783 -14.3783 -13.6711 -13.6711 -12.2262 -12.2262 -9.9517 -9.9517 -9.1432 -9.1432 -8.3622 -8.3622 -7.8746 -7.8746 -7.1007 -7.1007 -6.3848 -6.3848 -5.8637 -5.8637 -5.4201 -5.4201 -5.3366 -5.3366 -4.8634 -4.8634 -4.2600 -4.2600 -3.8754 -3.8754 -3.3786 -3.3786 -2.7882 -2.7882 -2.5909 -2.5909 -2.1397 -2.1397 -1.3978 -1.3978 -1.0921 -1.0921 -0.6597 -0.6597 -0.2804 -0.2804 0.0716 0.0716 4.2074 4.2074 6.8316 6.8316 7.2791 7.2791 7.7073 7.7073 8.1419 8.1419 8.7105 8.7105 k = 0.4865-0.0669 0.1730 ( 6052 PWs) bands (ev): -21.6476 -21.6476 -21.4084 -21.4084 -20.2672 -20.2671 -19.4006 -19.4006 -14.3782 -14.3782 -13.6710 -13.6710 -12.2261 -12.2261 -9.9516 -9.9516 -9.1433 -9.1433 -8.3624 -8.3623 -7.8743 -7.8743 -7.1008 -7.1008 -6.3848 -6.3848 -5.8637 -5.8636 -5.4201 -5.4200 -5.3364 -5.3363 -4.8632 -4.8632 -4.2599 -4.2599 -3.8754 -3.8753 -3.3787 -3.3787 -2.7881 -2.7880 -2.5910 -2.5909 -2.1401 -2.1400 -1.3978 -1.3978 -1.0921 -1.0920 -0.6600 -0.6599 -0.2806 -0.2806 0.0714 0.0715 4.2064 4.2064 6.8314 6.8316 7.2787 7.2789 7.7014 7.7017 8.1475 8.1476 8.7100 8.7101 k = 0.4730-0.0650 0.1682 ( 6054 PWs) bands (ev): -21.6477 -21.6477 -21.4084 -21.4084 -20.2672 -20.2672 -19.4006 -19.4006 -14.3782 -14.3782 -13.6709 -13.6708 -12.2257 -12.2257 -9.9513 -9.9513 -9.1437 -9.1437 -8.3627 -8.3627 -7.8734 -7.8734 -7.1012 -7.1011 -6.3848 -6.3847 -5.8638 -5.8637 -5.4199 -5.4198 -5.3356 -5.3356 -4.8626 -4.8626 -4.2598 -4.2598 -3.8752 -3.8751 -3.3792 -3.3791 -2.7877 -2.7874 -2.5912 -2.5910 -2.1412 -2.1411 -1.3979 -1.3978 -1.0918 -1.0918 -0.6609 -0.6608 -0.2810 -0.2809 0.0708 0.0710 4.2035 4.2035 6.8310 6.8313 7.2778 7.2782 7.6849 7.6855 8.1634 8.1637 8.7084 8.7086 k = 0.4595-0.0632 0.1634 ( 6061 PWs) bands (ev): -21.6479 -21.6479 -21.4085 -21.4085 -20.2672 -20.2672 -19.4006 -19.4006 -14.3781 -14.3781 -13.6706 -13.6706 -12.2251 -12.2250 -9.9508 -9.9508 -9.1443 -9.1443 -8.3634 -8.3634 -7.8720 -7.8719 -7.1018 -7.1017 -6.3848 -6.3847 -5.8639 -5.8637 -5.4196 -5.4194 -5.3343 -5.3343 -4.8616 -4.8616 -4.2596 -4.2595 -3.8749 -3.8747 -3.3800 -3.3797 -2.7869 -2.7865 -2.5916 -2.5912 -2.1430 -2.1428 -1.3981 -1.3979 -1.0915 -1.0914 -0.6623 -0.6622 -0.2817 -0.2816 0.0699 0.0703 4.1986 4.1987 6.8304 6.8308 7.2763 7.2769 7.6600 7.6609 8.1877 8.1880 8.7059 8.7062 k = 0.4459-0.0613 0.1586 ( 6053 PWs) bands (ev): -21.6481 -21.6481 -21.4086 -21.4086 -20.2673 -20.2673 -19.4005 -19.4005 -14.3779 -14.3779 -13.6702 -13.6701 -12.2241 -12.2241 -9.9501 -9.9501 -9.1451 -9.1451 -8.3643 -8.3642 -7.8699 -7.8698 -7.1026 -7.1026 -6.3849 -6.3847 -5.8640 -5.8638 -5.4191 -5.4188 -5.3326 -5.3325 -4.8602 -4.8602 -4.2593 -4.2592 -3.8744 -3.8742 -3.3810 -3.3807 -2.7858 -2.7853 -2.5920 -2.5915 -2.1455 -2.1452 -1.3983 -1.3980 -1.0910 -1.0908 -0.6644 -0.6642 -0.2827 -0.2825 0.0687 0.0692 4.1919 4.1920 6.8294 6.8300 7.2741 7.2749 7.6293 7.6304 8.2179 8.2183 8.7026 8.7030 k = 0.4324-0.0595 0.1538 ( 6048 PWs) bands (ev): -21.6484 -21.6484 -21.4087 -21.4087 -20.2674 -20.2674 -19.4004 -19.4004 -14.3777 -14.3777 -13.6696 -13.6696 -12.2230 -12.2230 -9.9493 -9.9492 -9.1461 -9.1461 -8.3654 -8.3653 -7.8672 -7.8671 -7.1037 -7.1036 -6.3850 -6.3848 -5.8642 -5.8639 -5.4185 -5.4182 -5.3303 -5.3302 -4.8585 -4.8584 -4.2589 -4.2588 -3.8738 -3.8735 -3.3822 -3.3819 -2.7845 -2.7838 -2.5926 -2.5919 -2.1486 -2.1483 -1.3985 -1.3982 -1.0903 -1.0902 -0.6669 -0.6668 -0.2839 -0.2837 0.0671 0.0677 4.1834 4.1835 6.8281 6.8289 7.2711 7.2721 7.5949 7.5962 8.2522 8.2526 8.6986 8.6991 k = 0.4189-0.0576 0.1490 ( 6048 PWs) bands (ev): -21.6488 -21.6488 -21.4089 -21.4089 -20.2675 -20.2675 -19.4004 -19.4004 -14.3775 -14.3775 -13.6690 -13.6690 -12.2216 -12.2216 -9.9482 -9.9482 -9.1474 -9.1473 -8.3667 -8.3666 -7.8640 -7.8639 -7.1050 -7.1049 -6.3851 -6.3849 -5.8643 -5.8640 -5.4177 -5.4174 -5.3276 -5.3275 -4.8563 -4.8562 -4.2584 -4.2583 -3.8730 -3.8727 -3.3837 -3.3833 -2.7828 -2.7820 -2.5932 -2.5925 -2.1524 -2.1521 -1.3987 -1.3983 -1.0895 -1.0893 -0.6701 -0.6698 -0.2853 -0.2851 0.0653 0.0660 4.1732 4.1733 6.8264 6.8273 7.2672 7.2682 7.5586 7.5600 8.2889 8.2893 8.6941 8.6947 k = 0.4054-0.0557 0.1442 ( 6050 PWs) bands (ev): -21.6493 -21.6493 -21.4091 -21.4091 -20.2677 -20.2677 -19.4003 -19.4003 -14.3772 -14.3772 -13.6683 -13.6683 -12.2200 -12.2199 -9.9470 -9.9470 -9.1488 -9.1488 -8.3682 -8.3682 -7.8603 -7.8602 -7.1065 -7.1064 -6.3854 -6.3851 -5.8644 -5.8640 -5.4169 -5.4165 -5.3244 -5.3243 -4.8538 -4.8537 -4.2579 -4.2578 -3.8721 -3.8717 -3.3855 -3.3850 -2.7809 -2.7800 -2.5939 -2.5931 -2.1569 -2.1565 -1.3989 -1.3985 -1.0886 -1.0884 -0.6737 -0.6734 -0.2870 -0.2867 0.0631 0.0639 4.1614 4.1615 6.8241 6.8251 7.2619 7.2631 7.5220 7.5235 8.3271 8.3275 8.6893 8.6900 k = 0.3919-0.0539 0.1394 ( 6051 PWs) bands (ev): -21.6498 -21.6498 -21.4094 -21.4094 -20.2678 -20.2678 -19.4001 -19.4001 -14.3769 -14.3769 -13.6675 -13.6675 -12.2181 -12.2181 -9.9456 -9.9456 -9.1505 -9.1505 -8.3699 -8.3698 -7.8561 -7.8559 -7.1082 -7.1081 -6.3857 -6.3854 -5.8644 -5.8640 -5.4160 -5.4156 -5.3208 -5.3206 -4.8510 -4.8509 -4.2574 -4.2573 -3.8711 -3.8706 -3.3873 -3.3868 -2.7788 -2.7777 -2.5947 -2.5938 -2.1620 -2.1615 -1.3991 -1.3986 -1.0876 -1.0874 -0.6778 -0.6775 -0.2890 -0.2886 0.0607 0.0616 4.1480 4.1482 6.8210 6.8221 7.2550 7.2563 7.4866 7.4881 8.3656 8.3661 8.6846 8.6853 k = 0.3784-0.0520 0.1346 ( 6060 PWs) bands (ev): -21.6503 -21.6503 -21.4096 -21.4096 -20.2680 -20.2680 -19.4000 -19.4000 -14.3765 -14.3765 -13.6666 -13.6666 -12.2160 -12.2160 -9.9441 -9.9441 -9.1524 -9.1523 -8.3718 -8.3717 -7.8514 -7.8512 -7.1101 -7.1099 -6.3863 -6.3859 -5.8643 -5.8639 -5.4150 -5.4146 -5.3168 -5.3166 -4.8479 -4.8477 -4.2568 -4.2567 -3.8699 -3.8694 -3.3894 -3.3888 -2.7765 -2.7753 -2.5956 -2.5945 -2.1676 -2.1671 -1.3992 -1.3987 -1.0865 -1.0863 -0.6823 -0.6820 -0.2911 -0.2908 0.0579 0.0589 4.1333 4.1335 6.8171 6.8183 7.2458 7.2471 7.4536 7.4551 8.4038 8.4043 8.6803 8.6811 k = 0.3649-0.0502 0.1298 ( 6067 PWs) bands (ev): -21.6509 -21.6509 -21.4099 -21.4099 -20.2682 -20.2682 -19.3999 -19.3999 -14.3762 -14.3762 -13.6656 -13.6656 -12.2138 -12.2138 -9.9424 -9.9424 -9.1545 -9.1544 -8.3737 -8.3736 -7.8463 -7.8461 -7.1121 -7.1119 -6.3870 -6.3866 -5.8641 -5.8636 -5.4139 -5.4135 -5.3123 -5.3122 -4.8444 -4.8442 -4.2563 -4.2561 -3.8686 -3.8680 -3.3915 -3.3909 -2.7740 -2.7727 -2.5965 -2.5953 -2.1738 -2.1733 -1.3992 -1.3987 -1.0854 -1.0851 -0.6873 -0.6869 -0.2935 -0.2931 0.0549 0.0560 4.1173 4.1175 6.8120 6.8132 7.2338 7.2351 7.4245 7.4258 8.4407 8.4413 8.6772 8.6781 k = 0.3514-0.0483 0.1249 ( 6073 PWs) bands (ev): -21.6516 -21.6516 -21.4102 -21.4102 -20.2684 -20.2684 -19.3997 -19.3997 -14.3758 -14.3757 -13.6646 -13.6646 -12.2113 -12.2113 -9.9406 -9.9405 -9.1567 -9.1567 -8.3758 -8.3756 -7.8408 -7.8405 -7.1143 -7.1141 -6.3879 -6.3875 -5.8638 -5.8633 -5.4128 -5.4124 -5.3076 -5.3074 -4.8406 -4.8404 -4.2557 -4.2556 -3.8671 -3.8665 -3.3938 -3.3931 -2.7714 -2.7701 -2.5975 -2.5962 -2.1805 -2.1799 -1.3991 -1.3986 -1.0841 -1.0838 -0.6926 -0.6922 -0.2961 -0.2957 0.0517 0.0528 4.1002 4.1004 6.8056 6.8068 7.2183 7.2196 7.4004 7.4015 8.4750 8.4757 8.6761 8.6772 k = 0.3378-0.0465 0.1201 ( 6071 PWs) bands (ev): -21.6523 -21.6523 -21.4106 -21.4106 -20.2686 -20.2686 -19.3996 -19.3996 -14.3753 -14.3753 -13.6635 -13.6635 -12.2087 -12.2087 -9.9386 -9.9386 -9.1592 -9.1591 -8.3779 -8.3777 -7.8349 -7.8346 -7.1165 -7.1163 -6.3890 -6.3886 -5.8633 -5.8627 -5.4118 -5.4113 -5.3025 -5.3022 -4.8366 -4.8364 -4.2552 -4.2550 -3.8656 -3.8649 -3.3961 -3.3954 -2.7687 -2.7673 -2.5985 -2.5971 -2.1876 -2.1870 -1.3989 -1.3983 -1.0829 -1.0825 -0.6983 -0.6979 -0.2989 -0.2984 0.0482 0.0495 4.0822 4.0824 6.7975 6.7988 7.1996 7.2009 7.3818 7.3826 8.5050 8.5057 8.6789 8.6800 k = 0.3243-0.0446 0.1153 ( 6077 PWs) bands (ev): -21.6530 -21.6530 -21.4109 -21.4109 -20.2688 -20.2688 -19.3994 -19.3994 -14.3748 -14.3748 -13.6624 -13.6623 -12.2059 -12.2059 -9.9365 -9.9365 -9.1617 -9.1617 -8.3800 -8.3799 -7.8287 -7.8284 -7.1189 -7.1187 -6.3904 -6.3900 -5.8626 -5.8620 -5.4107 -5.4103 -5.2971 -5.2968 -4.8323 -4.8320 -4.2547 -4.2546 -3.8639 -3.8633 -3.3985 -3.3977 -2.7660 -2.7645 -2.5995 -2.5981 -2.1951 -2.1944 -1.3985 -1.3979 -1.0816 -1.0812 -0.7043 -0.7039 -0.3018 -0.3013 0.0446 0.0458 4.0633 4.0635 6.7875 6.7888 7.1781 7.1796 7.3685 7.3691 8.5284 8.5292 8.6873 8.6885 k = 0.3108-0.0427 0.1105 ( 6079 PWs) bands (ev): -21.6538 -21.6538 -21.4113 -21.4113 -20.2691 -20.2691 -19.3992 -19.3992 -14.3744 -14.3744 -13.6612 -13.6611 -12.2030 -12.2030 -9.9343 -9.9343 -9.1645 -9.1644 -8.3822 -8.3821 -7.8222 -7.8219 -7.1213 -7.1211 -6.3921 -6.3917 -5.8618 -5.8611 -5.4096 -5.4092 -5.2915 -5.2911 -4.8277 -4.8275 -4.2543 -4.2541 -3.8622 -3.8615 -3.4008 -3.4001 -2.7633 -2.7616 -2.6005 -2.5990 -2.2030 -2.2023 -1.3979 -1.3974 -1.0802 -1.0798 -0.7107 -0.7102 -0.3049 -0.3044 0.0408 0.0421 4.0439 4.0441 6.7753 6.7766 7.1553 7.1569 7.3598 7.3603 8.5437 8.5444 8.7027 8.7040 k = 0.2973-0.0409 0.1057 ( 6085 PWs) bands (ev): -21.6546 -21.6546 -21.4117 -21.4117 -20.2693 -20.2693 -19.3991 -19.3991 -14.3739 -14.3738 -13.6599 -13.6599 -12.2000 -12.2000 -9.9320 -9.9320 -9.1673 -9.1673 -8.3844 -8.3843 -7.8155 -7.8152 -7.1238 -7.1236 -6.3941 -6.3936 -5.8607 -5.8600 -5.4086 -5.4082 -5.2856 -5.2853 -4.8229 -4.8227 -4.2539 -4.2538 -3.8604 -3.8597 -3.4032 -3.4024 -2.7605 -2.7588 -2.6016 -2.6000 -2.2112 -2.2104 -1.3972 -1.3966 -1.0789 -1.0785 -0.7172 -0.7167 -0.3081 -0.3076 0.0368 0.0381 4.0239 4.0241 6.7608 6.7621 7.1324 7.1341 7.3548 7.3553 8.5510 8.5518 8.7247 8.7260 k = 0.2838-0.0390 0.1009 ( 6089 PWs) bands (ev): -21.6554 -21.6554 -21.4120 -21.4120 -20.2696 -20.2696 -19.3989 -19.3989 -14.3733 -14.3733 -13.6587 -13.6586 -12.1969 -12.1969 -9.9296 -9.9296 -9.1703 -9.1702 -8.3866 -8.3864 -7.8085 -7.8083 -7.1264 -7.1261 -6.3964 -6.3959 -5.8594 -5.8587 -5.4077 -5.4073 -5.2796 -5.2792 -4.8179 -4.8177 -4.2537 -4.2535 -3.8585 -3.8578 -3.4055 -3.4047 -2.7578 -2.7561 -2.6026 -2.6010 -2.2195 -2.2187 -1.3962 -1.3956 -1.0777 -1.0772 -0.7240 -0.7235 -0.3115 -0.3109 0.0327 0.0340 4.0036 4.0038 6.7440 6.7453 7.1103 7.1122 7.3528 7.3534 8.5524 8.5532 8.7507 8.7519 k = 0.2703-0.0372 0.0961 ( 6092 PWs) bands (ev): -21.6562 -21.6562 -21.4124 -21.4124 -20.2698 -20.2698 -19.3987 -19.3987 -14.3728 -14.3728 -13.6574 -13.6574 -12.1937 -12.1937 -9.9271 -9.9271 -9.1734 -9.1733 -8.3887 -8.3886 -7.8015 -7.8012 -7.1289 -7.1286 -6.3990 -6.3985 -5.8579 -5.8572 -5.4068 -5.4065 -5.2735 -5.2731 -4.8128 -4.8125 -4.2534 -4.2532 -3.8566 -3.8559 -3.4078 -3.4069 -2.7551 -2.7533 -2.6036 -2.6019 -2.2280 -2.2272 -1.3950 -1.3944 -1.0765 -1.0759 -0.7310 -0.7305 -0.3149 -0.3143 0.0285 0.0298 3.9831 3.9833 6.7250 6.7262 7.0897 7.0917 7.3534 7.3541 8.5499 8.5506 8.7781 8.7793 k = 0.2568-0.0353 0.0913 ( 6095 PWs) bands (ev): -21.6571 -21.6571 -21.4128 -21.4128 -20.2701 -20.2701 -19.3985 -19.3985 -14.3722 -14.3722 -13.6562 -13.6561 -12.1904 -12.1904 -9.9246 -9.9246 -9.1766 -9.1765 -8.3908 -8.3906 -7.7943 -7.7940 -7.1314 -7.1311 -6.4018 -6.4013 -5.8562 -5.8555 -5.4060 -5.4057 -5.2673 -5.2669 -4.8075 -4.8072 -4.2533 -4.2531 -3.8547 -3.8540 -3.4099 -3.4091 -2.7526 -2.7507 -2.6046 -2.6029 -2.2366 -2.2357 -1.3935 -1.3929 -1.0753 -1.0747 -0.7382 -0.7376 -0.3184 -0.3178 0.0242 0.0256 3.9626 3.9628 6.7039 6.7051 7.0708 7.0728 7.3561 7.3569 8.5449 8.5456 8.8050 8.8061 k = 0.2432-0.0334 0.0865 ( 6101 PWs) bands (ev): -21.6579 -21.6579 -21.4132 -21.4132 -20.2704 -20.2704 -19.3983 -19.3983 -14.3717 -14.3717 -13.6549 -13.6549 -12.1871 -12.1871 -9.9221 -9.9221 -9.1798 -9.1797 -8.3928 -8.3926 -7.7871 -7.7868 -7.1339 -7.1336 -6.4050 -6.4044 -5.8543 -5.8536 -5.4053 -5.4050 -5.2612 -5.2607 -4.8021 -4.8018 -4.2532 -4.2530 -3.8529 -3.8521 -3.4120 -3.4112 -2.7501 -2.7482 -2.6055 -2.6038 -2.2452 -2.2443 -1.3918 -1.3912 -1.0742 -1.0736 -0.7454 -0.7448 -0.3219 -0.3213 0.0199 0.0213 3.9423 3.9424 6.6813 6.6825 7.0537 7.0557 7.3608 7.3616 8.5382 8.5390 8.8297 8.8308 k = 0.2297-0.0316 0.0817 ( 6103 PWs) bands (ev): -21.6587 -21.6587 -21.4136 -21.4136 -20.2706 -20.2706 -19.3981 -19.3981 -14.3711 -14.3711 -13.6537 -13.6537 -12.1839 -12.1839 -9.9195 -9.9195 -9.1830 -9.1829 -8.3947 -8.3945 -7.7798 -7.7796 -7.1363 -7.1360 -6.4083 -6.4078 -5.8522 -5.8515 -5.4047 -5.4044 -5.2550 -5.2545 -4.7966 -4.7963 -4.2532 -4.2530 -3.8510 -3.8503 -3.4140 -3.4132 -2.7477 -2.7458 -2.6064 -2.6047 -2.2537 -2.2528 -1.3898 -1.3893 -1.0732 -1.0726 -0.7528 -0.7522 -0.3254 -0.3248 0.0157 0.0170 3.9222 3.9224 6.6576 6.6586 7.0382 7.0402 7.3673 7.3681 8.5304 8.5311 8.8510 8.8521 k = 0.2162-0.0297 0.0769 ( 6096 PWs) bands (ev): -21.6596 -21.6596 -21.4140 -21.4140 -20.2709 -20.2709 -19.3980 -19.3980 -14.3706 -14.3706 -13.6525 -13.6524 -12.1806 -12.1806 -9.9170 -9.9169 -9.1863 -9.1862 -8.3965 -8.3964 -7.7727 -7.7724 -7.1386 -7.1383 -6.4119 -6.4114 -5.8500 -5.8493 -5.4041 -5.4038 -5.2489 -5.2485 -4.7911 -4.7907 -4.2533 -4.2531 -3.8493 -3.8485 -3.4159 -3.4151 -2.7454 -2.7436 -2.6073 -2.6056 -2.2621 -2.2612 -1.3876 -1.3871 -1.0723 -1.0717 -0.7601 -0.7595 -0.3289 -0.3283 0.0115 0.0128 3.9025 3.9027 6.6331 6.6341 7.0242 7.0262 7.3753 7.3762 8.5216 8.5224 8.8680 8.8691 k = 0.2027-0.0279 0.0721 ( 6097 PWs) bands (ev): -21.6604 -21.6604 -21.4144 -21.4144 -20.2711 -20.2711 -19.3978 -19.3978 -14.3700 -14.3700 -13.6513 -13.6513 -12.1774 -12.1774 -9.9144 -9.9144 -9.1895 -9.1894 -8.3982 -8.3981 -7.7656 -7.7653 -7.1409 -7.1406 -6.4156 -6.4151 -5.8477 -5.8470 -5.4036 -5.4034 -5.2430 -5.2425 -4.7855 -4.7852 -4.2534 -4.2532 -3.8476 -3.8468 -3.4177 -3.4169 -2.7433 -2.7414 -2.6081 -2.6064 -2.2703 -2.2694 -1.3852 -1.3847 -1.0715 -1.0709 -0.7675 -0.7669 -0.3324 -0.3318 0.0073 0.0086 3.8834 3.8836 6.6084 6.6093 7.0115 7.0133 7.3847 7.3856 8.5120 8.5129 8.8800 8.8811 k = 0.1892-0.0260 0.0673 ( 6101 PWs) bands (ev): -21.6612 -21.6612 -21.4148 -21.4148 -20.2714 -20.2714 -19.3976 -19.3976 -14.3695 -14.3695 -13.6502 -13.6501 -12.1742 -12.1742 -9.9119 -9.9119 -9.1927 -9.1926 -8.3998 -8.3997 -7.7587 -7.7584 -7.1430 -7.1427 -6.4195 -6.4190 -5.8454 -5.8447 -5.4032 -5.4030 -5.2372 -5.2368 -4.7800 -4.7797 -4.2536 -4.2534 -3.8460 -3.8452 -3.4193 -3.4186 -2.7413 -2.7395 -2.6088 -2.6072 -2.2782 -2.2773 -1.3825 -1.3821 -1.0709 -1.0702 -0.7747 -0.7742 -0.3358 -0.3352 0.0033 0.0045 3.8649 3.8651 6.5839 6.5848 6.9999 7.0015 7.3954 7.3963 8.5017 8.5026 8.8870 8.8882 k = 0.1757-0.0242 0.0625 ( 6094 PWs) bands (ev): -21.6619 -21.6619 -21.4151 -21.4151 -20.2716 -20.2716 -19.3974 -19.3974 -14.3690 -14.3690 -13.6491 -13.6491 -12.1712 -12.1712 -9.9094 -9.9094 -9.1958 -9.1957 -8.4013 -8.4012 -7.7519 -7.7517 -7.1450 -7.1447 -6.4234 -6.4230 -5.8429 -5.8423 -5.4029 -5.4026 -5.2317 -5.2313 -4.7745 -4.7742 -4.2538 -4.2536 -3.8445 -3.8437 -3.4209 -3.4202 -2.7395 -2.7377 -2.6095 -2.6079 -2.2859 -2.2849 -1.3797 -1.3793 -1.0703 -1.0697 -0.7819 -0.7814 -0.3391 -0.3385 -0.0006 0.0006 3.8473 3.8474 6.5600 6.5607 6.9891 6.9907 7.4072 7.4081 8.4907 8.4916 8.8893 8.8905 k = 0.1622-0.0223 0.0577 ( 6085 PWs) bands (ev): -21.6627 -21.6627 -21.4154 -21.4154 -20.2718 -20.2718 -19.3973 -19.3973 -14.3685 -14.3685 -13.6481 -13.6480 -12.1682 -12.1682 -9.9071 -9.9070 -9.1988 -9.1988 -8.4027 -8.4026 -7.7455 -7.7452 -7.1469 -7.1466 -6.4274 -6.4269 -5.8405 -5.8399 -5.4026 -5.4024 -5.2264 -5.2260 -4.7692 -4.7689 -4.2540 -4.2539 -3.8431 -3.8424 -3.4223 -3.4217 -2.7378 -2.7361 -2.6100 -2.6085 -2.2931 -2.2922 -1.3768 -1.3764 -1.0699 -1.0692 -0.7889 -0.7884 -0.3423 -0.3417 -0.0043 -0.0032 3.8305 3.8306 6.5369 6.5376 6.9792 6.9807 7.4198 7.4207 8.4790 8.4799 8.8877 8.8891 k = 0.1486-0.0204 0.0529 ( 6086 PWs) bands (ev): -21.6634 -21.6634 -21.4158 -21.4158 -20.2721 -20.2721 -19.3971 -19.3971 -14.3680 -14.3680 -13.6471 -13.6470 -12.1654 -12.1654 -9.9048 -9.9047 -9.2018 -9.2017 -8.4040 -8.4039 -7.7393 -7.7391 -7.1486 -7.1484 -6.4313 -6.4309 -5.8381 -5.8375 -5.4024 -5.4021 -5.2215 -5.2211 -4.7641 -4.7637 -4.2543 -4.2542 -3.8418 -3.8412 -3.4236 -3.4230 -2.7363 -2.7346 -2.6106 -2.6091 -2.2999 -2.2991 -1.3737 -1.3734 -1.0696 -1.0690 -0.7957 -0.7952 -0.3454 -0.3448 -0.0079 -0.0068 3.8147 3.8149 6.5150 6.5155 6.9701 6.9714 7.4331 7.4339 8.4667 8.4676 8.8833 8.8847 k = 0.1351-0.0186 0.0481 ( 6089 PWs) bands (ev): -21.6640 -21.6640 -21.4161 -21.4161 -20.2723 -20.2723 -19.3970 -19.3970 -14.3676 -14.3676 -13.6462 -13.6462 -12.1628 -12.1628 -9.9026 -9.9026 -9.2045 -9.2044 -8.4051 -8.4050 -7.7335 -7.7333 -7.1502 -7.1500 -6.4352 -6.4348 -5.8358 -5.8352 -5.4022 -5.4020 -5.2168 -5.2165 -4.7591 -4.7588 -4.2546 -4.2545 -3.8407 -3.8401 -3.4248 -3.4243 -2.7349 -2.7333 -2.6110 -2.6096 -2.3063 -2.3055 -1.3706 -1.3703 -1.0695 -1.0688 -0.8021 -0.8017 -0.3483 -0.3477 -0.0112 -0.0102 3.8000 3.8001 6.4943 6.4949 6.9617 6.9628 7.4467 7.4475 8.4539 8.4548 8.8771 8.8786 k = 0.1216-0.0167 0.0433 ( 6097 PWs) bands (ev): -21.6646 -21.6646 -21.4164 -21.4164 -20.2725 -20.2725 -19.3968 -19.3968 -14.3672 -14.3671 -13.6454 -13.6453 -12.1603 -12.1603 -9.9006 -9.9006 -9.2071 -9.2071 -8.4062 -8.4061 -7.7281 -7.7279 -7.1516 -7.1514 -6.4389 -6.4385 -5.8336 -5.8331 -5.4020 -5.4018 -5.2126 -5.2122 -4.7545 -4.7542 -4.2549 -4.2548 -3.8397 -3.8392 -3.4259 -3.4254 -2.7337 -2.7322 -2.6114 -2.6101 -2.3122 -2.3114 -1.3675 -1.3672 -1.0694 -1.0688 -0.8083 -0.8079 -0.3510 -0.3505 -0.0142 -0.0133 3.7865 3.7866 6.4753 6.4757 6.9540 6.9550 7.4604 7.4612 8.4408 8.4417 8.8701 8.8715 k = 0.1081-0.0149 0.0384 ( 6102 PWs) bands (ev): -21.6652 -21.6652 -21.4167 -21.4167 -20.2726 -20.2726 -19.3967 -19.3967 -14.3668 -14.3668 -13.6446 -13.6446 -12.1581 -12.1581 -9.8987 -9.8987 -9.2095 -9.2095 -8.4071 -8.4070 -7.7232 -7.7230 -7.1529 -7.1527 -6.4424 -6.4421 -5.8315 -5.8311 -5.4019 -5.4017 -5.2087 -5.2084 -4.7501 -4.7499 -4.2552 -4.2551 -3.8389 -3.8384 -3.4269 -3.4264 -2.7327 -2.7313 -2.6117 -2.6105 -2.3175 -2.3168 -1.3645 -1.3643 -1.0694 -1.0688 -0.8139 -0.8136 -0.3534 -0.3530 -0.0170 -0.0162 3.7742 3.7743 6.4579 6.4583 6.9470 6.9479 7.4740 7.4748 8.4276 8.4284 8.8629 8.8643 k = 0.0946-0.0130 0.0336 ( 6103 PWs) bands (ev): -21.6657 -21.6657 -21.4169 -21.4169 -20.2728 -20.2728 -19.3966 -19.3966 -14.3664 -14.3664 -13.6439 -13.6439 -12.1560 -12.1560 -9.8970 -9.8970 -9.2117 -9.2117 -8.4079 -8.4078 -7.7187 -7.7185 -7.1540 -7.1538 -6.4457 -6.4453 -5.8296 -5.8292 -5.4018 -5.4017 -5.2052 -5.2049 -4.7462 -4.7459 -4.2555 -4.2554 -3.8381 -3.8377 -3.4277 -3.4273 -2.7317 -2.7305 -2.6119 -2.6109 -2.3223 -2.3216 -1.3616 -1.3614 -1.0695 -1.0689 -0.8192 -0.8189 -0.3557 -0.3553 -0.0195 -0.0188 3.7632 3.7633 6.4423 6.4426 6.9407 6.9415 7.4871 7.4878 8.4146 8.4154 8.8561 8.8574 k = 0.0811-0.0111 0.0288 ( 6102 PWs) bands (ev): -21.6661 -21.6661 -21.4171 -21.4171 -20.2729 -20.2729 -19.3965 -19.3965 -14.3661 -14.3661 -13.6434 -13.6433 -12.1542 -12.1542 -9.8955 -9.8955 -9.2137 -9.2136 -8.4086 -8.4085 -7.7147 -7.7146 -7.1549 -7.1548 -6.4486 -6.4483 -5.8279 -5.8275 -5.4017 -5.4016 -5.2021 -5.2019 -4.7426 -4.7424 -4.2557 -4.2556 -3.8375 -3.8371 -3.4285 -3.4281 -2.7309 -2.7299 -2.6120 -2.6111 -2.3264 -2.3258 -1.3589 -1.3587 -1.0697 -1.0691 -0.8238 -0.8236 -0.3577 -0.3573 -0.0217 -0.0211 3.7535 3.7536 6.4286 6.4288 6.9353 6.9359 7.4994 7.5000 8.4022 8.4029 8.8501 8.8513 k = 0.0676-0.0093 0.0240 ( 6102 PWs) bands (ev): -21.6665 -21.6665 -21.4173 -21.4173 -20.2731 -20.2731 -19.3964 -19.3964 -14.3659 -14.3659 -13.6429 -13.6428 -12.1527 -12.1527 -9.8942 -9.8942 -9.2153 -9.2153 -8.4092 -8.4091 -7.7113 -7.7112 -7.1557 -7.1556 -6.4511 -6.4509 -5.8264 -5.8261 -5.4017 -5.4016 -5.1995 -5.1993 -4.7395 -4.7393 -4.2560 -4.2559 -3.8370 -3.8367 -3.4291 -3.4288 -2.7303 -2.7294 -2.6121 -2.6114 -2.3299 -2.3294 -1.3565 -1.3564 -1.0698 -1.0693 -0.8279 -0.8277 -0.3594 -0.3591 -0.0236 -0.0230 3.7453 3.7453 6.4168 6.4171 6.9306 6.9312 7.5105 7.5111 8.3907 8.3914 8.8449 8.8460 k = 0.0541-0.0074 0.0192 ( 6101 PWs) bands (ev): -21.6668 -21.6668 -21.4174 -21.4174 -20.2731 -20.2731 -19.3964 -19.3964 -14.3656 -14.3656 -13.6424 -13.6424 -12.1514 -12.1514 -9.8931 -9.8931 -9.2167 -9.2167 -8.4096 -8.4096 -7.7085 -7.7084 -7.1564 -7.1563 -6.4533 -6.4531 -5.8252 -5.8249 -5.4016 -5.4015 -5.1973 -5.1972 -4.7369 -4.7368 -4.2562 -4.2561 -3.8366 -3.8363 -3.4296 -3.4294 -2.7297 -2.7290 -2.6122 -2.6116 -2.3328 -2.3324 -1.3544 -1.3543 -1.0700 -1.0696 -0.8313 -0.8311 -0.3608 -0.3606 -0.0251 -0.0247 3.7385 3.7385 6.4072 6.4074 6.9268 6.9272 7.5202 7.5207 8.3807 8.3812 8.8408 8.8416 k = 0.0405-0.0056 0.0144 ( 6100 PWs) bands (ev): -21.6670 -21.6670 -21.4175 -21.4175 -20.2732 -20.2732 -19.3963 -19.3963 -14.3655 -14.3655 -13.6421 -13.6421 -12.1504 -12.1504 -9.8923 -9.8923 -9.2178 -9.2178 -8.4100 -8.4100 -7.7062 -7.7062 -7.1568 -7.1568 -6.4550 -6.4548 -5.8241 -5.8240 -5.4016 -5.4015 -5.1956 -5.1955 -4.7349 -4.7348 -4.2563 -4.2563 -3.8363 -3.8361 -3.4300 -3.4298 -2.7293 -2.7287 -2.6122 -2.6117 -2.3351 -2.3348 -1.3527 -1.3526 -1.0701 -1.0698 -0.8339 -0.8338 -0.3619 -0.3617 -0.0263 -0.0260 3.7332 3.7332 6.3996 6.3998 6.9237 6.9241 7.5281 7.5285 8.3724 8.3728 8.8376 8.8383 k = 0.0270-0.0037 0.0096 ( 6098 PWs) bands (ev): -21.6672 -21.6672 -21.4176 -21.4176 -20.2733 -20.2733 -19.3963 -19.3963 -14.3653 -14.3653 -13.6419 -13.6419 -12.1496 -12.1496 -9.8916 -9.8916 -9.2186 -9.2186 -8.4103 -8.4102 -7.7046 -7.7046 -7.1572 -7.1571 -6.4562 -6.4561 -5.8234 -5.8233 -5.4016 -5.4015 -5.1944 -5.1943 -4.7334 -4.7333 -4.2564 -4.2564 -3.8360 -3.8359 -3.4303 -3.4301 -2.7290 -2.7286 -2.6122 -2.6118 -2.3367 -2.3365 -1.3515 -1.3514 -1.0702 -1.0700 -0.8359 -0.8358 -0.3627 -0.3626 -0.0271 -0.0269 3.7294 3.7294 6.3942 6.3943 6.9216 6.9218 7.5340 7.5343 8.3662 8.3665 8.8354 8.8359 k = 0.0135-0.0019 0.0048 ( 6099 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1492 -12.1492 -9.8913 -9.8913 -9.2191 -9.2191 -8.4104 -8.4104 -7.7036 -7.7036 -7.1574 -7.1574 -6.4570 -6.4569 -5.8230 -5.8229 -5.4015 -5.4015 -5.1936 -5.1936 -4.7325 -4.7324 -4.2565 -4.2565 -3.8359 -3.8358 -3.4304 -3.4303 -2.7287 -2.7285 -2.6121 -2.6119 -2.3376 -2.3375 -1.3507 -1.3507 -1.0703 -1.0702 -0.8371 -0.8370 -0.3632 -0.3631 -0.0276 -0.0275 3.7271 3.7271 6.3909 6.3910 6.9203 6.9204 7.5377 7.5378 8.3624 8.3626 8.8341 8.8344 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 k = 0.0000 0.0131 0.0053 ( 6098 PWs) bands (ev): -21.6672 -21.6672 -21.4176 -21.4176 -20.2734 -20.2734 -19.3963 -19.3963 -14.3653 -14.3653 -13.6417 -13.6417 -12.1489 -12.1489 -9.8912 -9.8912 -9.2192 -9.2192 -8.4102 -8.4102 -7.7040 -7.7039 -7.1566 -7.1565 -6.4573 -6.4572 -5.8229 -5.8229 -5.4014 -5.4013 -5.1937 -5.1936 -4.7327 -4.7326 -4.2566 -4.2564 -3.8360 -3.8360 -3.4305 -3.4303 -2.7291 -2.7288 -2.6121 -2.6117 -2.3380 -2.3374 -1.3503 -1.3501 -1.0704 -1.0704 -0.8371 -0.8369 -0.3631 -0.3631 -0.0280 -0.0279 3.7267 3.7267 6.3896 6.3896 6.9209 6.9210 7.5409 7.5411 8.3607 8.3607 8.8343 8.8345 k = 0.0000 0.0262 0.0106 ( 6101 PWs) bands (ev): -21.6669 -21.6669 -21.4176 -21.4176 -20.2738 -20.2738 -19.3963 -19.3963 -14.3655 -14.3655 -13.6418 -13.6418 -12.1486 -12.1486 -9.8915 -9.8915 -9.2192 -9.2191 -8.4096 -8.4095 -7.7060 -7.7058 -7.1541 -7.1538 -6.4576 -6.4574 -5.8234 -5.8234 -5.4009 -5.4007 -5.1946 -5.1945 -4.7341 -4.7340 -4.2567 -4.2565 -3.8365 -3.8365 -3.4304 -3.4302 -2.7302 -2.7296 -2.6117 -2.6110 -2.3377 -2.3365 -1.3496 -1.3492 -1.0709 -1.0708 -0.8359 -0.8356 -0.3626 -0.3625 -0.0288 -0.0287 3.7279 3.7279 6.3889 6.3890 6.9237 6.9239 7.5470 7.5472 8.3592 8.3593 8.8361 8.8364 k = 0.0000 0.0393 0.0158 ( 6105 PWs) bands (ev): -21.6664 -21.6664 -21.4174 -21.4174 -20.2745 -20.2745 -19.3964 -19.3964 -14.3659 -14.3659 -13.6420 -13.6420 -12.1480 -12.1480 -9.8920 -9.8919 -9.2191 -9.2190 -8.4084 -8.4083 -7.7091 -7.7089 -7.1498 -7.1495 -6.4581 -6.4578 -5.8242 -5.8241 -5.4001 -5.3998 -5.1961 -5.1959 -4.7364 -4.7363 -4.2569 -4.2565 -3.8374 -3.8374 -3.4302 -3.4299 -2.7321 -2.7312 -2.6111 -2.6100 -2.3371 -2.3353 -1.3485 -1.3479 -1.0716 -1.0714 -0.8339 -0.8335 -0.3617 -0.3615 -0.0302 -0.0299 3.7298 3.7298 6.3878 6.3879 6.9284 6.9286 7.5571 7.5574 8.3567 8.3569 8.8389 8.8394 k = 0.0000 0.0524 0.0211 ( 6105 PWs) bands (ev): -21.6658 -21.6658 -21.4173 -21.4173 -20.2754 -20.2754 -19.3965 -19.3965 -14.3664 -14.3664 -13.6423 -13.6423 -12.1472 -12.1472 -9.8926 -9.8925 -9.2190 -9.2189 -8.4069 -8.4067 -7.7134 -7.7131 -7.1441 -7.1436 -6.4586 -6.4582 -5.8252 -5.8251 -5.3989 -5.3986 -5.1982 -5.1978 -4.7397 -4.7395 -4.2571 -4.2566 -3.8387 -3.8386 -3.4299 -3.4295 -2.7345 -2.7334 -2.6102 -2.6087 -2.3360 -2.3337 -1.3469 -1.3460 -1.0726 -1.0723 -0.8311 -0.8306 -0.3605 -0.3602 -0.0320 -0.0316 3.7325 3.7326 6.3866 6.3868 6.9345 6.9348 7.5714 7.5718 8.3534 8.3537 8.8427 8.8433 k = 0.0000 0.0655 0.0264 ( 6109 PWs) bands (ev): -21.6649 -21.6649 -21.4170 -21.4170 -20.2765 -20.2765 -19.3966 -19.3966 -14.3670 -14.3670 -13.6427 -13.6426 -12.1463 -12.1462 -9.8934 -9.8933 -9.2188 -9.2187 -8.4048 -8.4047 -7.7186 -7.7183 -7.1370 -7.1365 -6.4592 -6.4588 -5.8264 -5.8263 -5.3975 -5.3970 -5.2008 -5.2004 -4.7439 -4.7436 -4.2573 -4.2567 -3.8403 -3.8402 -3.4295 -3.4290 -2.7376 -2.7363 -2.6090 -2.6072 -2.3345 -2.3317 -1.3448 -1.3437 -1.0737 -1.0734 -0.8277 -0.8270 -0.3589 -0.3586 -0.0343 -0.0338 3.7359 3.7360 6.3856 6.3857 6.9417 6.9421 7.5897 7.5903 8.3494 8.3497 8.8472 8.8480 k = 0.0000 0.0786 0.0317 ( 6111 PWs) bands (ev): -21.6638 -21.6638 -21.4167 -21.4167 -20.2779 -20.2779 -19.3967 -19.3967 -14.3678 -14.3677 -13.6431 -13.6430 -12.1450 -12.1450 -9.8944 -9.8942 -9.2186 -9.2185 -8.4024 -8.4022 -7.7247 -7.7243 -7.1288 -7.1282 -6.4598 -6.4593 -5.8279 -5.8278 -5.3958 -5.3952 -5.2039 -5.2034 -4.7490 -4.7487 -4.2576 -4.2568 -3.8423 -3.8421 -3.4288 -3.4282 -2.7413 -2.7398 -2.6077 -2.6056 -2.3326 -2.3292 -1.3422 -1.3409 -1.0749 -1.0746 -0.8236 -0.8229 -0.3570 -0.3567 -0.0370 -0.0365 3.7401 3.7402 6.3849 6.3850 6.9498 6.9502 7.6123 7.6129 8.3447 8.3451 8.8523 8.8532 k = 0.0000 0.0917 0.0370 ( 6107 PWs) bands (ev): -21.6626 -21.6626 -21.4164 -21.4163 -20.2796 -20.2796 -19.3968 -19.3968 -14.3686 -14.3686 -13.6436 -13.6435 -12.1436 -12.1436 -9.8955 -9.8953 -9.2183 -9.2182 -8.3995 -8.3993 -7.7315 -7.7310 -7.1198 -7.1191 -6.4603 -6.4597 -5.8295 -5.8294 -5.3939 -5.3932 -5.2075 -5.2069 -4.7551 -4.7547 -4.2578 -4.2570 -3.8445 -3.8443 -3.4279 -3.4272 -2.7456 -2.7438 -2.6062 -2.6038 -2.3303 -2.3264 -1.3391 -1.3377 -1.0763 -1.0759 -0.8191 -0.8182 -0.3549 -0.3545 -0.0402 -0.0395 3.7450 3.7451 6.3848 6.3850 6.9583 6.9588 7.6390 7.6397 8.3395 8.3400 8.8576 8.8587 k = 0.0000 0.1048 0.0423 ( 6111 PWs) bands (ev): -21.6613 -21.6613 -21.4159 -21.4159 -20.2815 -20.2815 -19.3970 -19.3970 -14.3696 -14.3696 -13.6441 -13.6441 -12.1421 -12.1420 -9.8967 -9.8965 -9.2180 -9.2179 -8.3963 -8.3960 -7.7388 -7.7383 -7.1102 -7.1095 -6.4606 -6.4599 -5.8312 -5.8311 -5.3918 -5.3911 -5.2115 -5.2109 -4.7620 -4.7616 -4.2581 -4.2571 -3.8471 -3.8469 -3.4267 -3.4260 -2.7504 -2.7485 -2.6046 -2.6020 -2.3274 -2.3232 -1.3357 -1.3341 -1.0776 -1.0772 -0.8141 -0.8132 -0.3526 -0.3521 -0.0438 -0.0430 3.7505 3.7506 6.3857 6.3859 6.9669 6.9675 7.6698 7.6706 8.3339 8.3344 8.8628 8.8641 k = 0.0000 0.1179 0.0475 ( 6107 PWs) bands (ev): -21.6598 -21.6597 -21.4154 -21.4154 -20.2836 -20.2836 -19.3972 -19.3972 -14.3707 -14.3707 -13.6447 -13.6447 -12.1403 -12.1403 -9.8980 -9.8977 -9.2177 -9.2175 -8.3927 -8.3924 -7.7466 -7.7460 -7.1002 -7.0995 -6.4606 -6.4599 -5.8331 -5.8328 -5.3896 -5.3888 -5.2159 -5.2152 -4.7698 -4.7694 -4.2584 -4.2573 -3.8500 -3.8498 -3.4252 -3.4243 -2.7558 -2.7537 -2.6030 -2.6002 -2.3241 -2.3195 -1.3318 -1.3301 -1.0788 -1.0785 -0.8089 -0.8079 -0.3500 -0.3495 -0.0476 -0.0468 3.7567 3.7568 6.3878 6.3880 6.9755 6.9760 7.7046 7.7055 8.3280 8.3285 8.8677 8.8691 k = 0.0000 0.1310 0.0528 ( 6098 PWs) bands (ev): -21.6581 -21.6581 -21.4148 -21.4148 -20.2860 -20.2859 -19.3973 -19.3973 -14.3719 -14.3719 -13.6454 -13.6453 -12.1384 -12.1384 -9.8993 -9.8991 -9.2172 -9.2171 -8.3887 -8.3884 -7.7545 -7.7540 -7.0902 -7.0895 -6.4603 -6.4595 -5.8349 -5.8346 -5.3874 -5.3865 -5.2206 -5.2199 -4.7785 -4.7780 -4.2586 -4.2574 -3.8532 -3.8529 -3.4232 -3.4223 -2.7616 -2.7594 -2.6015 -2.5984 -2.3204 -2.3154 -1.3275 -1.3257 -1.0800 -1.0796 -0.8034 -0.8023 -0.3473 -0.3468 -0.0518 -0.0508 3.7634 3.7635 6.3912 6.3914 6.9837 6.9843 7.7432 7.7441 8.3220 8.3225 8.8719 8.8735 k = 0.0000 0.1441 0.0581 ( 6093 PWs) bands (ev): -21.6564 -21.6564 -21.4141 -21.4141 -20.2885 -20.2885 -19.3974 -19.3974 -14.3732 -14.3732 -13.6461 -13.6460 -12.1364 -12.1364 -9.9008 -9.9005 -9.2168 -9.2166 -8.3844 -8.3840 -7.7627 -7.7621 -7.0804 -7.0797 -6.4594 -6.4586 -5.8366 -5.8364 -5.3853 -5.3843 -5.2256 -5.2248 -4.7881 -4.7875 -4.2588 -4.2574 -3.8567 -3.8563 -3.4208 -3.4199 -2.7679 -2.7656 -2.6000 -2.5968 -2.3161 -2.3108 -1.3230 -1.3210 -1.0810 -1.0806 -0.7978 -0.7967 -0.3446 -0.3440 -0.0562 -0.0551 3.7707 3.7709 6.3962 6.3964 6.9914 6.9921 7.7853 7.7863 8.3159 8.3165 8.8752 8.8769 k = 0.0000 0.1572 0.0634 ( 6097 PWs) bands (ev): -21.6546 -21.6546 -21.4133 -21.4133 -20.2913 -20.2913 -19.3975 -19.3975 -14.3746 -14.3746 -13.6469 -13.6468 -12.1343 -12.1342 -9.9023 -9.9020 -9.2163 -9.2161 -8.3798 -8.3794 -7.7708 -7.7702 -7.0711 -7.0704 -6.4579 -6.4572 -5.8382 -5.8380 -5.3833 -5.3822 -5.2308 -5.2300 -4.7984 -4.7978 -4.2589 -4.2575 -3.8603 -3.8600 -3.4180 -3.4170 -2.7746 -2.7722 -2.5987 -2.5954 -2.3113 -2.3058 -1.3181 -1.3160 -1.0818 -1.0814 -0.7922 -0.7910 -0.3419 -0.3413 -0.0608 -0.0596 3.7785 3.7786 6.4030 6.4032 6.9987 6.9993 7.8307 7.8318 8.3100 8.3106 8.8773 8.8791 k = 0.0000 0.1703 0.0687 ( 6098 PWs) bands (ev): -21.6527 -21.6527 -21.4124 -21.4124 -20.2944 -20.2943 -19.3976 -19.3976 -14.3761 -14.3761 -13.6477 -13.6477 -12.1320 -12.1320 -9.9038 -9.9035 -9.2157 -9.2155 -8.3749 -8.3745 -7.7789 -7.7783 -7.0624 -7.0617 -6.4558 -6.4550 -5.8397 -5.8394 -5.3815 -5.3803 -5.2360 -5.2352 -4.8095 -4.8089 -4.2590 -4.2575 -3.8642 -3.8639 -3.4148 -3.4138 -2.7816 -2.7793 -2.5976 -2.5943 -2.3060 -2.3003 -1.3130 -1.3107 -1.0824 -1.0819 -0.7866 -0.7855 -0.3392 -0.3385 -0.0655 -0.0642 3.7867 3.7869 6.4116 6.4117 7.0053 7.0060 7.8789 7.8800 8.3043 8.3050 8.8779 8.8798 k = 0.0000 0.1834 0.0740 ( 6099 PWs) bands (ev): -21.6507 -21.6507 -21.4114 -21.4114 -20.2975 -20.2975 -19.3977 -19.3977 -14.3776 -14.3776 -13.6486 -13.6485 -12.1297 -12.1297 -9.9054 -9.9050 -9.2151 -9.2149 -8.3698 -8.3694 -7.7869 -7.7863 -7.0546 -7.0540 -6.4529 -6.4522 -5.8409 -5.8406 -5.3800 -5.3788 -5.2413 -5.2404 -4.8214 -4.8207 -4.2590 -4.2574 -3.8683 -3.8679 -3.4111 -3.4100 -2.7891 -2.7867 -2.5967 -2.5934 -2.3002 -2.2944 -1.3076 -1.3053 -1.0827 -1.0822 -0.7812 -0.7801 -0.3367 -0.3359 -0.0703 -0.0688 3.7953 3.7955 6.4221 6.4222 7.0114 7.0121 7.9294 7.9306 8.2992 8.2999 8.8770 8.8790 k = 0.0000 0.1965 0.0792 ( 6093 PWs) bands (ev): -21.6487 -21.6487 -21.4103 -21.4103 -20.3009 -20.3009 -19.3978 -19.3978 -14.3792 -14.3792 -13.6495 -13.6494 -12.1273 -12.1273 -9.9069 -9.9065 -9.2144 -9.2142 -8.3644 -8.3640 -7.7946 -7.7940 -7.0479 -7.0473 -6.4492 -6.4486 -5.8417 -5.8414 -5.3790 -5.3777 -5.2464 -5.2456 -4.8338 -4.8332 -4.2589 -4.2572 -3.8725 -3.8721 -3.4069 -3.4058 -2.7968 -2.7944 -2.5961 -2.5928 -2.2939 -2.2881 -1.3021 -1.2998 -1.0826 -1.0821 -0.7760 -0.7749 -0.3343 -0.3335 -0.0750 -0.0734 3.8043 3.8044 6.4346 6.4348 7.0170 7.0177 7.9814 7.9827 8.2951 8.2958 8.8745 8.8765 k = 0.0000 0.2096 0.0845 ( 6092 PWs) bands (ev): -21.6468 -21.6467 -21.4091 -21.4091 -20.3044 -20.3044 -19.3978 -19.3978 -14.3809 -14.3808 -13.6504 -13.6503 -12.1249 -12.1249 -9.9083 -9.9080 -9.2137 -9.2135 -8.3588 -8.3584 -7.8021 -7.8014 -7.0423 -7.0418 -6.4448 -6.4441 -5.8422 -5.8418 -5.3785 -5.3771 -5.2514 -5.2505 -4.8469 -4.8463 -4.2588 -4.2569 -3.8768 -3.8764 -3.4023 -3.4012 -2.8048 -2.8023 -2.5958 -2.5925 -2.2873 -2.2814 -1.2966 -1.2942 -1.0822 -1.0816 -0.7711 -0.7700 -0.3323 -0.3314 -0.0796 -0.0779 3.8135 3.8136 6.4492 6.4493 7.0221 7.0228 8.0338 8.0351 8.2927 8.2935 8.8704 8.8725 k = 0.0000 0.2227 0.0898 ( 6089 PWs) bands (ev): -21.6448 -21.6448 -21.4078 -21.4078 -20.3081 -20.3081 -19.3977 -19.3977 -14.3825 -14.3825 -13.6514 -13.6513 -12.1225 -12.1224 -9.9098 -9.9094 -9.2129 -9.2127 -8.3531 -8.3527 -7.8092 -7.8086 -7.0380 -7.0375 -6.4395 -6.4389 -5.8422 -5.8418 -5.3786 -5.3771 -5.2561 -5.2552 -4.8605 -4.8598 -4.2585 -4.2566 -3.8812 -3.8807 -3.3973 -3.3962 -2.8129 -2.8105 -2.5958 -2.5925 -2.2802 -2.2743 -1.2910 -1.2886 -1.0813 -1.0808 -0.7665 -0.7654 -0.3306 -0.3296 -0.0840 -0.0822 3.8229 3.8230 6.4658 6.4659 7.0268 7.0276 8.0846 8.0858 8.2937 8.2946 8.8649 8.8670 k = 0.0000 0.2358 0.0951 ( 6091 PWs) bands (ev): -21.6428 -21.6428 -21.4064 -21.4064 -20.3119 -20.3118 -19.3977 -19.3977 -14.3842 -14.3842 -13.6524 -13.6523 -12.1200 -12.1200 -9.9112 -9.9108 -9.2122 -9.2120 -8.3473 -8.3468 -7.8160 -7.8154 -7.0349 -7.0345 -6.4335 -6.4330 -5.8416 -5.8412 -5.3793 -5.3778 -5.2604 -5.2595 -4.8746 -4.8738 -4.2581 -4.2561 -3.8856 -3.8851 -3.3919 -3.3908 -2.8213 -2.8189 -2.5961 -2.5929 -2.2727 -2.2669 -1.2854 -1.2830 -1.0801 -1.0795 -0.7622 -0.7612 -0.3293 -0.3282 -0.0882 -0.0862 3.8324 3.8325 6.4844 6.4845 7.0313 7.0320 8.1297 8.1309 8.3013 8.3025 8.8581 8.8602 k = 0.0000 0.2489 0.1004 ( 6100 PWs) bands (ev): -21.6409 -21.6409 -21.4049 -21.4049 -20.3157 -20.3157 -19.3976 -19.3976 -14.3859 -14.3859 -13.6533 -13.6532 -12.1176 -12.1175 -9.9125 -9.9121 -9.2114 -9.2112 -8.3413 -8.3409 -7.8224 -7.8219 -7.0332 -7.0327 -6.4269 -6.4264 -5.8405 -5.8400 -5.3808 -5.3793 -5.2644 -5.2634 -4.8889 -4.8882 -4.2575 -4.2555 -3.8900 -3.8894 -3.3862 -3.3851 -2.8297 -2.8273 -2.5967 -2.5936 -2.2650 -2.2593 -1.2799 -1.2775 -1.0784 -1.0779 -0.7585 -0.7574 -0.3284 -0.3272 -0.0920 -0.0900 3.8420 3.8421 6.5049 6.5050 7.0355 7.0363 8.1633 8.1644 8.3209 8.3223 8.8503 8.8524 k = 0.0000 0.2620 0.1057 ( 6105 PWs) bands (ev): -21.6390 -21.6390 -21.4033 -21.4033 -20.3197 -20.3196 -19.3974 -19.3974 -14.3876 -14.3876 -13.6543 -13.6542 -12.1152 -12.1151 -9.9137 -9.9134 -9.2106 -9.2104 -8.3353 -8.3349 -7.8285 -7.8279 -7.0327 -7.0322 -6.4198 -6.4194 -5.8388 -5.8383 -5.3829 -5.3814 -5.2679 -5.2670 -4.9035 -4.9028 -4.2569 -4.2548 -3.8943 -3.8938 -3.3802 -3.3792 -2.8382 -2.8358 -2.5975 -2.5946 -2.2570 -2.2515 -1.2745 -1.2722 -1.0763 -1.0758 -0.7551 -0.7541 -0.3280 -0.3267 -0.0955 -0.0934 3.8515 3.8517 6.5272 6.5274 7.0396 7.0405 8.1816 8.1824 8.3554 8.3571 8.8420 8.8439 k = 0.0000 0.2750 0.1109 ( 6105 PWs) bands (ev): -21.6372 -21.6372 -21.4017 -21.4016 -20.3236 -20.3236 -19.3973 -19.3973 -14.3893 -14.3893 -13.6553 -13.6552 -12.1128 -12.1128 -9.9149 -9.9145 -9.2098 -9.2095 -8.3293 -8.3289 -7.8341 -7.8336 -7.0333 -7.0328 -6.4123 -6.4119 -5.8363 -5.8358 -5.3856 -5.3841 -5.2711 -5.2701 -4.9183 -4.9175 -4.2561 -4.2539 -3.8986 -3.8980 -3.3741 -3.3730 -2.8466 -2.8443 -2.5987 -2.5959 -2.2489 -2.2436 -1.2693 -1.2671 -1.0738 -1.0732 -0.7522 -0.7512 -0.3281 -0.3267 -0.0986 -0.0964 3.8610 3.8611 6.5512 6.5514 7.0438 7.0447 8.1875 8.1882 8.4005 8.4024 8.8335 8.8354 k = 0.0000 0.2881 0.1162 ( 6105 PWs) bands (ev): -21.6355 -21.6355 -21.3999 -21.3999 -20.3276 -20.3275 -19.3971 -19.3971 -14.3910 -14.3910 -13.6563 -13.6562 -12.1105 -12.1105 -9.9159 -9.9156 -9.2089 -9.2087 -8.3233 -8.3229 -7.8394 -7.8388 -7.0349 -7.0345 -6.4045 -6.4042 -5.8332 -5.8326 -5.3889 -5.3874 -5.2740 -5.2730 -4.9330 -4.9322 -4.2551 -4.2530 -3.9028 -3.9022 -3.3677 -3.3667 -2.8550 -2.8528 -2.6000 -2.5974 -2.2407 -2.2356 -1.2643 -1.2622 -1.0709 -1.0703 -0.7498 -0.7489 -0.3287 -0.3273 -0.1012 -0.0990 3.8703 3.8705 6.5767 6.5770 7.0482 7.0491 8.1861 8.1867 8.4494 8.4514 8.8257 8.8275 k = 0.0000 0.3012 0.1215 ( 6104 PWs) bands (ev): -21.6339 -21.6338 -21.3982 -21.3981 -20.3315 -20.3315 -19.3969 -19.3969 -14.3926 -14.3926 -13.6572 -13.6571 -12.1083 -12.1083 -9.9169 -9.9166 -9.2082 -9.2080 -8.3174 -8.3169 -7.8442 -7.8436 -7.0374 -7.0370 -6.3967 -6.3964 -5.8294 -5.8288 -5.3926 -5.3912 -5.2767 -5.2756 -4.9476 -4.9468 -4.2540 -4.2519 -3.9068 -3.9062 -3.3613 -3.3603 -2.8632 -2.8611 -2.6016 -2.5991 -2.2325 -2.2276 -1.2596 -1.2576 -1.0675 -1.0669 -0.7478 -0.7469 -0.3298 -0.3283 -0.1033 -0.1011 3.8794 3.8795 6.6035 6.6038 7.0529 7.0539 8.1803 8.1809 8.4963 8.4983 8.8195 8.8211 k = 0.0000 0.3143 0.1268 ( 6106 PWs) bands (ev): -21.6323 -21.6323 -21.3964 -21.3963 -20.3353 -20.3353 -19.3966 -19.3966 -14.3942 -14.3942 -13.6581 -13.6580 -12.1062 -12.1062 -9.9178 -9.9174 -9.2074 -9.2072 -8.3115 -8.3111 -7.8486 -7.8481 -7.0406 -7.0402 -6.3890 -6.3887 -5.8248 -5.8242 -5.3966 -5.3952 -5.2793 -5.2782 -4.9620 -4.9611 -4.2528 -4.2507 -3.9107 -3.9101 -3.3549 -3.3540 -2.8712 -2.8692 -2.6033 -2.6010 -2.2243 -2.2198 -1.2552 -1.2533 -1.0638 -1.0632 -0.7463 -0.7455 -0.3313 -0.3298 -0.1051 -0.1029 3.8882 3.8883 6.6313 6.6316 7.0582 7.0592 8.1716 8.1721 8.5356 8.5376 8.8158 8.8173 k = 0.0000 0.3274 0.1321 ( 6107 PWs) bands (ev): -21.6309 -21.6309 -21.3946 -21.3946 -20.3391 -20.3391 -19.3964 -19.3964 -14.3957 -14.3957 -13.6590 -13.6589 -12.1042 -12.1041 -9.9185 -9.9182 -9.2066 -9.2064 -8.3058 -8.3054 -7.8526 -7.8521 -7.0445 -7.0440 -6.3815 -6.3813 -5.8197 -5.8191 -5.4007 -5.3994 -5.2819 -5.2807 -4.9759 -4.9750 -4.2516 -4.2495 -3.9144 -3.9138 -3.3485 -3.3476 -2.8790 -2.8770 -2.6052 -2.6031 -2.2164 -2.2121 -1.2511 -1.2493 -1.0598 -1.0592 -0.7453 -0.7445 -0.3332 -0.3317 -0.1064 -0.1042 3.8966 3.8968 6.6596 6.6599 7.0642 7.0652 8.1605 8.1611 8.5620 8.5638 8.8140 8.8154 k = 0.0000 0.3405 0.1374 ( 6106 PWs) bands (ev): -21.6296 -21.6296 -21.3928 -21.3928 -20.3427 -20.3427 -19.3961 -19.3961 -14.3971 -14.3971 -13.6598 -13.6598 -12.1023 -12.1022 -9.9192 -9.9189 -9.2059 -9.2057 -8.3003 -8.2999 -7.8562 -7.8558 -7.0487 -7.0483 -6.3743 -6.3741 -5.8140 -5.8134 -5.4048 -5.4036 -5.2846 -5.2834 -4.9894 -4.9885 -4.2502 -4.2482 -3.9180 -3.9173 -3.3423 -3.3415 -2.8864 -2.8846 -2.6071 -2.6052 -2.2086 -2.2047 -1.2474 -1.2457 -1.0556 -1.0550 -0.7446 -0.7439 -0.3354 -0.3339 -0.1073 -0.1052 3.9046 3.9048 6.6881 6.6884 7.0711 7.0721 8.1473 8.1478 8.5721 8.5736 8.8100 8.8112 k = 0.0000 0.3536 0.1426 ( 6106 PWs) bands (ev): -21.6284 -21.6283 -21.3911 -21.3910 -20.3461 -20.3461 -19.3958 -19.3958 -14.3985 -14.3984 -13.6606 -13.6605 -12.1005 -12.1005 -9.9198 -9.9195 -9.2052 -9.2051 -8.2951 -8.2947 -7.8595 -7.8591 -7.0532 -7.0527 -6.3676 -6.3675 -5.8079 -5.8073 -5.4088 -5.4077 -5.2873 -5.2861 -5.0021 -5.0012 -4.2487 -4.2468 -3.9212 -3.9206 -3.3363 -3.3355 -2.8934 -2.8917 -2.6091 -2.6074 -2.2013 -2.1976 -1.2440 -1.2425 -1.0512 -1.0506 -0.7444 -0.7437 -0.3378 -0.3363 -0.1079 -0.1059 3.9121 3.9123 6.7162 6.7166 7.0791 7.0802 8.1319 8.1324 8.5671 8.5682 8.8004 8.8016 k = 0.0000 0.3667 0.1479 ( 6102 PWs) bands (ev): -21.6273 -21.6273 -21.3894 -21.3894 -20.3494 -20.3494 -19.3956 -19.3955 -14.3997 -14.3997 -13.6614 -13.6613 -12.0989 -12.0989 -9.9203 -9.9201 -9.2046 -9.2045 -8.2901 -8.2897 -7.8624 -7.8620 -7.0577 -7.0573 -6.3615 -6.3613 -5.8015 -5.8009 -5.4126 -5.4116 -5.2903 -5.2891 -5.0140 -5.0132 -4.2473 -4.2455 -3.9243 -3.9237 -3.3306 -3.3298 -2.9000 -2.8984 -2.6111 -2.6095 -2.1943 -2.1909 -1.2409 -1.2395 -1.0468 -1.0462 -0.7444 -0.7438 -0.3403 -0.3389 -0.1082 -0.1063 3.9191 3.9192 6.7433 6.7437 7.0885 7.0896 8.1143 8.1148 8.5516 8.5524 8.7877 8.7889 k = 0.0000 0.3798 0.1532 ( 6106 PWs) bands (ev): -21.6263 -21.6263 -21.3878 -21.3878 -20.3524 -20.3524 -19.3953 -19.3953 -14.4008 -14.4008 -13.6620 -13.6620 -12.0974 -12.0974 -9.9207 -9.9205 -9.2041 -9.2039 -8.2855 -8.2851 -7.8650 -7.8646 -7.0623 -7.0619 -6.3559 -6.3557 -5.7949 -5.7943 -5.4162 -5.4152 -5.2934 -5.2923 -5.0250 -5.0242 -4.2458 -4.2441 -3.9271 -3.9265 -3.3252 -3.3245 -2.9061 -2.9046 -2.6130 -2.6116 -2.1878 -2.1848 -1.2382 -1.2370 -1.0424 -1.0419 -0.7448 -0.7443 -0.3428 -0.3415 -0.1082 -0.1066 3.9255 3.9256 6.7688 6.7693 7.0994 7.1004 8.0946 8.0951 8.5305 8.5311 8.7752 8.7763 k = 0.0000 0.3929 0.1585 ( 6107 PWs) bands (ev): -21.6254 -21.6254 -21.3864 -21.3864 -20.3551 -20.3551 -19.3950 -19.3950 -14.4019 -14.4019 -13.6626 -13.6626 -12.0961 -12.0961 -9.9211 -9.9209 -9.2035 -9.2034 -8.2812 -8.2809 -7.8672 -7.8668 -7.0666 -7.0662 -6.3510 -6.3508 -5.7884 -5.7879 -5.4193 -5.4185 -5.2966 -5.2955 -5.0349 -5.0341 -4.2444 -4.2429 -3.9296 -3.9290 -3.3202 -3.3196 -2.9116 -2.9103 -2.6148 -2.6135 -2.1819 -2.1792 -1.2358 -1.2348 -1.0382 -1.0376 -0.7453 -0.7449 -0.3452 -0.3441 -0.1082 -0.1067 3.9313 3.9314 6.7922 6.7927 7.1117 7.1127 8.0732 8.0737 8.5077 8.5082 8.7640 8.7651 k = 0.0000 0.4060 0.1638 ( 6113 PWs) bands (ev): -21.6247 -21.6247 -21.3851 -21.3851 -20.3576 -20.3576 -19.3948 -19.3948 -14.4028 -14.4028 -13.6632 -13.6631 -12.0949 -12.0949 -9.9214 -9.9212 -9.2031 -9.2030 -8.2775 -8.2772 -7.8691 -7.8688 -7.0706 -7.0703 -6.3467 -6.3466 -5.7822 -5.7817 -5.4220 -5.4213 -5.2999 -5.2989 -5.0437 -5.0429 -4.2431 -4.2417 -3.9318 -3.9313 -3.3158 -3.3153 -2.9165 -2.9153 -2.6164 -2.6154 -2.1766 -2.1743 -1.2338 -1.2329 -1.0342 -1.0337 -0.7460 -0.7456 -0.3476 -0.3465 -0.1080 -0.1067 3.9363 3.9364 6.8128 6.8133 7.1254 7.1263 8.0506 8.0510 8.4858 8.4863 8.7546 8.7556 k = 0.0000 0.4191 0.1691 ( 6110 PWs) bands (ev): -21.6241 -21.6241 -21.3839 -21.3839 -20.3597 -20.3597 -19.3946 -19.3946 -14.4036 -14.4036 -13.6636 -13.6636 -12.0940 -12.0939 -9.9216 -9.9214 -9.2027 -9.2026 -8.2741 -8.2739 -7.8707 -7.8704 -7.0742 -7.0739 -6.3431 -6.3430 -5.7764 -5.7759 -5.4242 -5.4236 -5.3030 -5.3022 -5.0511 -5.0505 -4.2418 -4.2407 -3.9336 -3.9332 -3.3119 -3.3115 -2.9207 -2.9197 -2.6179 -2.6170 -2.1719 -2.1700 -1.2321 -1.2313 -1.0305 -1.0301 -0.7468 -0.7464 -0.3496 -0.3488 -0.1077 -0.1066 3.9407 3.9408 6.8304 6.8308 7.1399 7.1407 8.0278 8.0282 8.4663 8.4668 8.7468 8.7477 k = 0.0000 0.4322 0.1743 ( 6114 PWs) bands (ev): -21.6236 -21.6236 -21.3829 -21.3829 -20.3614 -20.3614 -19.3944 -19.3944 -14.4042 -14.4042 -13.6640 -13.6640 -12.0931 -12.0931 -9.9218 -9.9216 -9.2024 -9.2023 -8.2714 -8.2712 -7.8720 -7.8718 -7.0772 -7.0770 -6.3402 -6.3401 -5.7713 -5.7709 -5.4260 -5.4255 -5.3060 -5.3052 -5.0573 -5.0568 -4.2408 -4.2398 -3.9352 -3.9348 -3.3086 -3.3083 -2.9242 -2.9234 -2.6191 -2.6184 -2.1681 -2.1665 -1.2307 -1.2301 -1.0274 -1.0271 -0.7475 -0.7472 -0.3514 -0.3507 -0.1074 -0.1065 3.9443 3.9443 6.8446 6.8449 7.1543 7.1550 8.0061 8.0064 8.4502 8.4506 8.7406 8.7413 k = 0.0000 0.4453 0.1796 ( 6110 PWs) bands (ev): -21.6232 -21.6232 -21.3822 -21.3822 -20.3628 -20.3628 -19.3943 -19.3943 -14.4047 -14.4047 -13.6643 -13.6643 -12.0925 -12.0925 -9.9219 -9.9218 -9.2021 -9.2021 -8.2692 -8.2690 -7.8729 -7.8728 -7.0797 -7.0795 -6.3379 -6.3378 -5.7670 -5.7667 -5.4273 -5.4270 -5.3084 -5.3079 -5.0621 -5.0617 -4.2399 -4.2391 -3.9364 -3.9361 -3.3060 -3.3057 -2.9269 -2.9263 -2.6200 -2.6195 -2.1649 -2.1638 -1.2296 -1.2291 -1.0248 -1.0246 -0.7481 -0.7479 -0.3528 -0.3523 -0.1071 -0.1064 3.9471 3.9472 6.8555 6.8558 7.1674 7.1680 7.9869 7.9871 8.4376 8.4379 8.7358 8.7364 k = 0.0000 0.4584 0.1849 ( 6107 PWs) bands (ev): -21.6229 -21.6229 -21.3816 -21.3816 -20.3638 -20.3638 -19.3942 -19.3942 -14.4051 -14.4051 -13.6646 -13.6645 -12.0920 -12.0920 -9.9220 -9.9219 -9.2019 -9.2019 -8.2676 -8.2675 -7.8736 -7.8735 -7.0815 -7.0813 -6.3363 -6.3363 -5.7639 -5.7636 -5.4282 -5.4280 -5.3103 -5.3099 -5.0655 -5.0653 -4.2392 -4.2387 -3.9373 -3.9371 -3.3041 -3.3039 -2.9288 -2.9284 -2.6207 -2.6204 -2.1626 -2.1619 -1.2288 -1.2284 -1.0229 -1.0227 -0.7486 -0.7485 -0.3539 -0.3535 -0.1069 -0.1064 3.9492 3.9492 6.8632 6.8634 7.1782 7.1786 7.9717 7.9719 8.4287 8.4289 8.7325 8.7328 k = 0.0000 0.4715 0.1902 ( 6108 PWs) bands (ev): -21.6227 -21.6227 -21.3813 -21.3813 -20.3644 -20.3644 -19.3941 -19.3941 -14.4053 -14.4053 -13.6647 -13.6647 -12.0918 -12.0918 -9.9220 -9.9220 -9.2018 -9.2018 -8.2666 -8.2665 -7.8740 -7.8740 -7.0825 -7.0825 -6.3353 -6.3353 -5.7619 -5.7618 -5.4287 -5.4286 -5.3115 -5.3113 -5.0676 -5.0674 -4.2387 -4.2384 -3.9378 -3.9377 -3.3029 -3.3028 -2.9300 -2.9298 -2.6211 -2.6209 -2.1612 -2.1608 -1.2282 -1.2281 -1.0217 -1.0216 -0.7489 -0.7489 -0.3545 -0.3543 -0.1066 -0.1064 3.9504 3.9504 6.8678 6.8678 7.1852 7.1854 7.9620 7.9621 8.4234 8.4235 8.7305 8.7307 k = 0.0000 0.4846 0.1955 ( 6106 PWs) bands (ev): -21.6227 -21.6227 -21.3811 -21.3811 -20.3646 -20.3646 -19.3941 -19.3941 -14.4054 -14.4054 -13.6647 -13.6647 -12.0917 -12.0917 -9.9220 -9.9220 -9.2018 -9.2018 -8.2662 -8.2662 -7.8741 -7.8741 -7.0829 -7.0829 -6.3350 -6.3350 -5.7612 -5.7612 -5.4288 -5.4288 -5.3118 -5.3118 -5.0682 -5.0682 -4.2384 -4.2384 -3.9379 -3.9379 -3.3025 -3.3025 -2.9303 -2.9303 -2.6212 -2.6212 -2.1605 -2.1605 -1.2280 -1.2280 -1.0213 -1.0213 -0.7490 -0.7490 -0.3546 -0.3546 -0.1065 -0.1065 3.9508 3.9508 6.8693 6.8693 7.1877 7.1877 7.9587 7.9587 8.4217 8.4217 8.7300 8.7300 k = 0.5000 0.4159 0.0786 ( 6074 PWs) bands (ev): -21.6278 -21.6278 -21.3486 -21.3486 -20.3568 -20.3568 -19.4008 -19.4008 -14.3738 -14.3738 -13.6104 -13.6104 -12.2410 -12.2410 -10.0241 -10.0241 -9.2321 -9.2321 -8.4618 -8.4618 -8.0888 -8.0888 -7.0094 -7.0094 -6.2272 -6.2272 -5.8591 -5.8591 -5.4193 -5.4193 -5.2326 -5.2326 -5.0561 -5.0561 -4.2807 -4.2807 -3.8634 -3.8634 -3.3485 -3.3485 -2.7386 -2.7386 -2.3863 -2.3863 -2.0950 -2.0950 -1.1704 -1.1704 -0.9467 -0.9467 -0.6353 -0.6353 -0.2738 -0.2738 -0.0288 -0.0288 4.2259 4.2259 6.6859 6.6859 7.6501 7.6501 8.0539 8.0539 8.3757 8.3757 8.9046 8.9046 k = 0.4891 0.4068 0.0769 ( 6083 PWs) bands (ev): -21.6278 -21.6278 -21.3487 -21.3487 -20.3567 -20.3567 -19.4008 -19.4008 -14.3738 -14.3738 -13.6104 -13.6104 -12.2409 -12.2409 -10.0240 -10.0240 -9.2321 -9.2320 -8.4617 -8.4617 -8.0885 -8.0885 -7.0094 -7.0094 -6.2275 -6.2274 -5.8594 -5.8592 -5.4194 -5.4193 -5.2322 -5.2322 -5.0560 -5.0558 -4.2807 -4.2806 -3.8633 -3.8632 -3.3487 -3.3486 -2.7385 -2.7385 -2.3868 -2.3865 -2.0954 -2.0950 -1.1709 -1.1708 -0.9472 -0.9469 -0.6354 -0.6350 -0.2740 -0.2739 -0.0288 -0.0288 4.2251 4.2251 6.6858 6.6859 7.6469 7.6474 8.0486 8.0492 8.3825 8.3826 8.9039 8.9039 k = 0.4783 0.3978 0.0752 ( 6084 PWs) bands (ev): -21.6279 -21.6279 -21.3490 -21.3490 -20.3564 -20.3564 -19.4008 -19.4008 -14.3738 -14.3738 -13.6105 -13.6105 -12.2406 -12.2406 -10.0236 -10.0236 -9.2319 -9.2319 -8.4616 -8.4615 -8.0875 -8.0874 -7.0094 -7.0093 -6.2284 -6.2282 -5.8601 -5.8598 -5.4195 -5.4193 -5.2309 -5.2309 -5.0555 -5.0552 -4.2805 -4.2804 -3.8631 -3.8629 -3.3491 -3.3490 -2.7383 -2.7382 -2.3879 -2.3873 -2.0962 -2.0955 -1.1721 -1.1719 -0.9484 -0.9478 -0.6355 -0.6347 -0.2743 -0.2741 -0.0290 -0.0288 4.2228 4.2229 6.6855 6.6858 7.6380 7.6389 8.0349 8.0360 8.4015 8.4017 8.9017 8.9019 k = 0.4674 0.3887 0.0735 ( 6088 PWs) bands (ev): -21.6282 -21.6282 -21.3495 -21.3495 -20.3559 -20.3559 -19.4008 -19.4008 -14.3738 -14.3737 -13.6107 -13.6107 -12.2400 -12.2400 -10.0230 -10.0229 -9.2317 -9.2317 -8.4614 -8.4613 -8.0858 -8.0857 -7.0093 -7.0091 -6.2298 -6.2295 -5.8611 -5.8607 -5.4197 -5.4193 -5.2289 -5.2288 -5.0546 -5.0542 -4.2802 -4.2800 -3.8628 -3.8625 -3.3499 -3.3497 -2.7380 -2.7378 -2.3896 -2.3887 -2.0975 -2.0965 -1.1741 -1.1738 -0.9502 -0.9494 -0.6355 -0.6343 -0.2749 -0.2746 -0.0292 -0.0290 4.2190 4.2191 6.6852 6.6855 7.6233 7.6246 8.0162 8.0177 8.4293 8.4296 8.8981 8.8983 k = 0.4565 0.3797 0.0718 ( 6085 PWs) bands (ev): -21.6285 -21.6285 -21.3501 -21.3501 -20.3552 -20.3552 -19.4007 -19.4007 -14.3737 -14.3737 -13.6110 -13.6110 -12.2393 -12.2393 -10.0221 -10.0220 -9.2315 -9.2314 -8.4611 -8.4609 -8.0834 -8.0833 -7.0091 -7.0090 -6.2317 -6.2314 -5.8626 -5.8620 -5.4198 -5.4193 -5.2262 -5.2261 -5.0532 -5.0527 -4.2797 -4.2795 -3.8623 -3.8619 -3.3509 -3.3506 -2.7375 -2.7373 -2.3919 -2.3907 -2.0992 -2.0978 -1.1769 -1.1765 -0.9528 -0.9517 -0.6354 -0.6339 -0.2757 -0.2752 -0.0294 -0.0292 4.2137 4.2139 6.6846 6.6851 7.6032 7.6049 7.9954 7.9972 8.4626 8.4630 8.8928 8.8930 k = 0.4457 0.3707 0.0701 ( 6089 PWs) bands (ev): -21.6288 -21.6288 -21.3509 -21.3509 -20.3543 -20.3543 -19.4007 -19.4007 -14.3736 -14.3736 -13.6113 -13.6113 -12.2384 -12.2383 -10.0209 -10.0208 -9.2311 -9.2310 -8.4607 -8.4605 -8.0804 -8.0802 -7.0089 -7.0087 -6.2342 -6.2338 -5.8643 -5.8637 -5.4200 -5.4194 -5.2229 -5.2227 -5.0513 -5.0507 -4.2792 -4.2789 -3.8616 -3.8611 -3.3522 -3.3519 -2.7368 -2.7366 -2.3949 -2.3933 -2.1013 -2.0996 -1.1804 -1.1799 -0.9559 -0.9546 -0.6353 -0.6334 -0.2766 -0.2761 -0.0297 -0.0294 4.2071 4.2072 6.6839 6.6844 7.5783 7.5802 7.9747 7.9766 8.4988 8.4992 8.8858 8.8861 k = 0.4348 0.3616 0.0683 ( 6092 PWs) bands (ev): -21.6293 -21.6293 -21.3519 -21.3519 -20.3532 -20.3532 -19.4007 -19.4007 -14.3735 -14.3735 -13.6117 -13.6117 -12.2372 -12.2372 -10.0195 -10.0194 -9.2307 -9.2306 -8.4601 -8.4599 -8.0767 -8.0764 -7.0088 -7.0085 -6.2372 -6.2367 -5.8663 -5.8655 -5.4201 -5.4194 -5.2191 -5.2189 -5.0489 -5.0482 -4.2785 -4.2782 -3.8608 -3.8602 -3.3537 -3.3533 -2.7361 -2.7358 -2.3984 -2.3966 -2.1038 -2.1018 -1.1846 -1.1840 -0.9596 -0.9580 -0.6352 -0.6330 -0.2778 -0.2772 -0.0301 -0.0297 4.1990 4.1992 6.6829 6.6835 7.5491 7.5511 7.9552 7.9573 8.5360 8.5364 8.8770 8.8773 k = 0.4239 0.3526 0.0666 ( 6097 PWs) bands (ev): -21.6298 -21.6298 -21.3530 -21.3530 -20.3519 -20.3519 -19.4006 -19.4006 -14.3734 -14.3734 -13.6122 -13.6122 -12.2359 -12.2358 -10.0178 -10.0177 -9.2302 -9.2301 -8.4595 -8.4593 -8.0723 -8.0720 -7.0086 -7.0084 -6.2407 -6.2401 -5.8684 -5.8675 -5.4202 -5.4195 -5.2151 -5.2148 -5.0458 -5.0450 -4.2776 -4.2773 -3.8599 -3.8592 -3.3555 -3.3551 -2.7352 -2.7349 -2.4025 -2.4005 -2.1068 -2.1044 -1.1894 -1.1888 -0.9638 -0.9620 -0.6352 -0.6326 -0.2793 -0.2785 -0.0304 -0.0300 4.1896 4.1898 6.6816 6.6824 7.5166 7.5187 7.9374 7.9394 8.5728 8.5733 8.8664 8.8668 k = 0.4130 0.3435 0.0649 ( 6096 PWs) bands (ev): -21.6305 -21.6305 -21.3543 -21.3542 -20.3504 -20.3504 -19.4005 -19.4005 -14.3733 -14.3733 -13.6128 -13.6127 -12.2343 -12.2343 -10.0159 -10.0157 -9.2296 -9.2295 -8.4588 -8.4586 -8.0672 -8.0669 -7.0085 -7.0082 -6.2447 -6.2441 -5.8706 -5.8697 -5.4203 -5.4195 -5.2109 -5.2106 -5.0420 -5.0410 -4.2767 -4.2763 -3.8588 -3.8581 -3.3575 -3.3570 -2.7342 -2.7339 -2.4073 -2.4049 -2.1101 -2.1074 -1.1949 -1.1942 -0.9685 -0.9665 -0.6352 -0.6323 -0.2810 -0.2801 -0.0308 -0.0304 4.1791 4.1793 6.6800 6.6809 7.4818 7.4839 7.9212 7.9231 8.6084 8.6089 8.8542 8.8547 k = 0.4022 0.3345 0.0632 ( 6098 PWs) bands (ev): -21.6312 -21.6312 -21.3557 -21.3557 -20.3488 -20.3488 -19.4005 -19.4005 -14.3732 -14.3732 -13.6134 -13.6133 -12.2326 -12.2326 -10.0137 -10.0136 -9.2290 -9.2289 -8.4580 -8.4577 -8.0615 -8.0612 -7.0085 -7.0082 -6.2492 -6.2485 -5.8729 -5.8719 -5.4204 -5.4195 -5.2067 -5.2063 -5.0374 -5.0363 -4.2757 -4.2753 -3.8576 -3.8568 -3.3597 -3.3591 -2.7331 -2.7327 -2.4126 -2.4100 -2.1138 -2.1108 -1.2009 -1.2001 -0.9735 -0.9713 -0.6353 -0.6322 -0.2830 -0.2819 -0.0311 -0.0307 4.1673 4.1676 6.6780 6.6789 7.4457 7.4477 7.9063 7.9081 8.6416 8.6421 8.8410 8.8415 k = 0.3913 0.3254 0.0615 ( 6095 PWs) bands (ev): -21.6319 -21.6319 -21.3572 -21.3572 -20.3470 -20.3470 -19.4004 -19.4004 -14.3730 -14.3730 -13.6140 -13.6140 -12.2308 -12.2307 -10.0113 -10.0111 -9.2284 -9.2283 -8.4571 -8.4568 -8.0552 -8.0548 -7.0086 -7.0083 -6.2541 -6.2534 -5.8751 -5.8740 -5.4204 -5.4195 -5.2027 -5.2023 -5.0319 -5.0307 -4.2746 -4.2742 -3.8564 -3.8555 -3.3621 -3.3615 -2.7319 -2.7315 -2.4185 -2.4156 -2.1179 -2.1146 -1.2075 -1.2066 -0.9789 -0.9765 -0.6356 -0.6322 -0.2852 -0.2840 -0.0314 -0.0310 4.1546 4.1548 6.6755 6.6765 7.4090 7.4109 7.8925 7.8942 8.6713 8.6719 8.8276 8.8281 k = 0.3804 0.3164 0.0598 ( 6090 PWs) bands (ev): -21.6328 -21.6328 -21.3589 -21.3589 -20.3450 -20.3450 -19.4003 -19.4003 -14.3729 -14.3728 -13.6147 -13.6147 -12.2287 -12.2286 -10.0087 -10.0085 -9.2277 -9.2276 -8.4561 -8.4557 -8.0483 -8.0479 -7.0089 -7.0085 -6.2595 -6.2587 -5.8772 -5.8760 -5.4205 -5.4195 -5.1990 -5.1985 -5.0254 -5.0242 -4.2735 -4.2729 -3.8550 -3.8541 -3.3646 -3.3640 -2.7307 -2.7302 -2.4249 -2.4217 -2.1223 -2.1187 -1.2144 -1.2135 -0.9845 -0.9819 -0.6361 -0.6325 -0.2877 -0.2864 -0.0316 -0.0312 4.1408 4.1411 6.6724 6.6735 7.3725 7.3743 7.8795 7.8810 8.6954 8.6962 8.8164 8.8169 k = 0.3696 0.3074 0.0581 ( 6088 PWs) bands (ev): -21.6337 -21.6337 -21.3607 -21.3607 -20.3429 -20.3429 -19.4002 -19.4002 -14.3727 -14.3727 -13.6155 -13.6155 -12.2265 -12.2264 -10.0058 -10.0056 -9.2270 -9.2269 -8.4549 -8.4546 -8.0408 -8.0403 -7.0094 -7.0089 -6.2654 -6.2645 -5.8791 -5.8779 -5.4204 -5.4195 -5.1957 -5.1951 -5.0180 -5.0167 -4.2722 -4.2717 -3.8536 -3.8526 -3.3673 -3.3666 -2.7293 -2.7288 -2.4318 -2.4284 -2.1271 -2.1232 -1.2218 -1.2208 -0.9902 -0.9875 -0.6369 -0.6331 -0.2904 -0.2890 -0.0318 -0.0314 4.1262 4.1265 6.6687 6.6699 7.3368 7.3385 7.8669 7.8683 8.7097 8.7109 8.8113 8.8119 k = 0.3587 0.2983 0.0564 ( 6087 PWs) bands (ev): -21.6346 -21.6346 -21.3626 -21.3626 -20.3407 -20.3407 -19.4001 -19.4001 -14.3725 -14.3725 -13.6163 -13.6163 -12.2241 -12.2241 -10.0028 -10.0025 -9.2263 -9.2262 -8.4537 -8.4534 -8.0328 -8.0322 -7.0101 -7.0096 -6.2715 -6.2706 -5.8808 -5.8796 -5.4203 -5.4194 -5.1928 -5.1922 -5.0097 -5.0083 -4.2710 -4.2704 -3.8521 -3.8511 -3.3701 -3.3694 -2.7280 -2.7275 -2.4391 -2.4356 -2.1321 -2.1280 -1.2295 -1.2284 -0.9961 -0.9933 -0.6380 -0.6341 -0.2934 -0.2919 -0.0320 -0.0316 4.1109 4.1112 6.6643 6.6655 7.3025 7.3041 7.8546 7.8559 8.7107 8.7122 8.8166 8.8174 k = 0.3478 0.2893 0.0547 ( 6090 PWs) bands (ev): -21.6357 -21.6357 -21.3646 -21.3646 -20.3384 -20.3383 -19.4000 -19.4000 -14.3723 -14.3722 -13.6172 -13.6172 -12.2216 -12.2216 -9.9995 -9.9992 -9.2256 -9.2255 -8.4524 -8.4521 -8.0241 -8.0236 -7.0111 -7.0105 -6.2781 -6.2771 -5.8822 -5.8810 -5.4202 -5.4193 -5.1905 -5.1898 -5.0005 -4.9991 -4.2697 -4.2690 -3.8507 -3.8495 -3.3731 -3.3723 -2.7266 -2.7260 -2.4469 -2.4432 -2.1375 -2.1331 -1.2373 -1.2363 -1.0020 -0.9991 -0.6394 -0.6354 -0.2967 -0.2950 -0.0321 -0.0317 4.0949 4.0952 6.6591 6.6603 7.2698 7.2713 7.8423 7.8435 8.7004 8.7021 8.8307 8.8314 k = 0.3370 0.2802 0.0530 ( 6092 PWs) bands (ev): -21.6367 -21.6367 -21.3667 -21.3667 -20.3359 -20.3359 -19.3998 -19.3998 -14.3720 -14.3720 -13.6181 -13.6181 -12.2190 -12.2189 -9.9960 -9.9958 -9.2249 -9.2248 -8.4511 -8.4507 -8.0150 -8.0144 -7.0123 -7.0118 -6.2849 -6.2840 -5.8833 -5.8820 -5.4201 -5.4191 -5.1886 -5.1878 -4.9905 -4.9891 -4.2684 -4.2677 -3.8491 -3.8480 -3.3761 -3.3753 -2.7252 -2.7246 -2.4551 -2.4512 -2.1432 -2.1386 -1.2454 -1.2443 -1.0079 -1.0049 -0.6413 -0.6372 -0.3001 -0.2983 -0.0321 -0.0317 4.0784 4.0787 6.6531 6.6543 7.2393 7.2406 7.8299 7.8309 8.6840 8.6858 8.8485 8.8492 k = 0.3261 0.2712 0.0513 ( 6090 PWs) bands (ev): -21.6379 -21.6379 -21.3689 -21.3689 -20.3334 -20.3333 -19.3997 -19.3997 -14.3718 -14.3718 -13.6191 -13.6190 -12.2163 -12.2162 -9.9924 -9.9921 -9.2242 -9.2241 -8.4496 -8.4492 -8.0053 -8.0047 -7.0139 -7.0133 -6.2920 -6.2910 -5.8840 -5.8828 -5.4199 -5.4189 -5.1871 -5.1864 -4.9797 -4.9783 -4.2670 -4.2663 -3.8476 -3.8465 -3.3791 -3.3783 -2.7238 -2.7232 -2.4636 -2.4595 -2.1492 -2.1443 -1.2535 -1.2524 -1.0138 -1.0107 -0.6436 -0.6394 -0.3037 -0.3018 -0.0321 -0.0316 4.0614 4.0617 6.6462 6.6474 7.2109 7.2122 7.8172 7.8182 8.6650 8.6668 8.8672 8.8677 k = 0.3152 0.2622 0.0496 ( 6090 PWs) bands (ev): -21.6391 -21.6391 -21.3711 -21.3711 -20.3307 -20.3307 -19.3996 -19.3996 -14.3716 -14.3715 -13.6201 -13.6200 -12.2134 -12.2134 -9.9886 -9.9883 -9.2236 -9.2234 -8.4481 -8.4477 -7.9952 -7.9945 -7.0159 -7.0153 -6.2993 -6.2983 -5.8844 -5.8831 -5.4196 -5.4187 -5.1861 -5.1853 -4.9684 -4.9670 -4.2657 -4.2650 -3.8461 -3.8450 -3.3822 -3.3813 -2.7225 -2.7219 -2.4723 -2.4681 -2.1555 -2.1504 -1.2616 -1.2605 -1.0195 -1.0164 -0.6464 -0.6422 -0.3074 -0.3054 -0.0320 -0.0315 4.0441 4.0444 6.6384 6.6396 7.1849 7.1860 7.8042 7.8050 8.6451 8.6469 8.8851 8.8855 k = 0.3043 0.2531 0.0478 ( 6089 PWs) bands (ev): -21.6403 -21.6403 -21.3734 -21.3734 -20.3280 -20.3280 -19.3994 -19.3994 -14.3713 -14.3713 -13.6211 -13.6210 -12.2105 -12.2104 -9.9846 -9.9843 -9.2229 -9.2227 -8.4465 -8.4461 -7.9845 -7.9838 -7.0183 -7.0176 -6.3068 -6.3058 -5.8843 -5.8831 -5.4193 -5.4184 -5.1855 -5.1847 -4.9565 -4.9552 -4.2645 -4.2637 -3.8447 -3.8435 -3.3853 -3.3844 -2.7213 -2.7206 -2.4812 -2.4769 -2.1621 -2.1568 -1.2697 -1.2685 -1.0252 -1.0220 -0.6497 -0.6455 -0.3111 -0.3091 -0.0319 -0.0314 4.0266 4.0270 6.6297 6.6310 7.1613 7.1623 7.7907 7.7915 8.6250 8.6269 8.9017 8.9019 k = 0.2935 0.2441 0.0461 ( 6091 PWs) bands (ev): -21.6415 -21.6415 -21.3757 -21.3757 -20.3253 -20.3252 -19.3993 -19.3993 -14.3710 -14.3710 -13.6221 -13.6220 -12.2075 -12.2075 -9.9805 -9.9802 -9.2223 -9.2221 -8.4448 -8.4444 -7.9735 -7.9728 -7.0211 -7.0204 -6.3145 -6.3135 -5.8839 -5.8827 -5.4190 -5.4181 -5.1852 -5.1844 -4.9443 -4.9430 -4.2632 -4.2624 -3.8432 -3.8420 -3.3884 -3.3875 -2.7201 -2.7194 -2.4902 -2.4858 -2.1689 -2.1634 -1.2776 -1.2764 -1.0306 -1.0273 -0.6535 -0.6494 -0.3150 -0.3129 -0.0317 -0.0312 4.0090 4.0093 6.6203 6.6215 7.1400 7.1409 7.7768 7.7776 8.6055 8.6073 8.9165 8.9166 k = 0.2826 0.2350 0.0444 ( 6087 PWs) bands (ev): -21.6428 -21.6428 -21.3781 -21.3781 -20.3225 -20.3224 -19.3992 -19.3992 -14.3708 -14.3707 -13.6231 -13.6231 -12.2045 -12.2044 -9.9762 -9.9759 -9.2217 -9.2215 -8.4431 -8.4427 -7.9621 -7.9613 -7.0243 -7.0236 -6.3222 -6.3212 -5.8831 -5.8819 -5.4186 -5.4177 -5.1851 -5.1843 -4.9319 -4.9306 -4.2620 -4.2612 -3.8419 -3.8407 -3.3915 -3.3905 -2.7190 -2.7183 -2.4993 -2.4948 -2.1759 -2.1703 -1.2853 -1.2840 -1.0358 -1.0326 -0.6579 -0.6539 -0.3188 -0.3167 -0.0315 -0.0309 3.9914 3.9917 6.6102 6.6113 7.1208 7.1217 7.7625 7.7632 8.5867 8.5885 8.9290 8.9293 k = 0.2717 0.2260 0.0427 ( 6090 PWs) bands (ev): -21.6441 -21.6441 -21.3804 -21.3804 -20.3196 -20.3196 -19.3990 -19.3990 -14.3705 -14.3705 -13.6242 -13.6241 -12.2014 -12.2013 -9.9719 -9.9716 -9.2212 -9.2210 -8.4413 -8.4409 -7.9503 -7.9495 -7.0280 -7.0272 -6.3300 -6.3289 -5.8819 -5.8808 -5.4182 -5.4173 -5.1852 -5.1844 -4.9193 -4.9181 -4.2609 -4.2601 -3.8406 -3.8394 -3.3945 -3.3935 -2.7181 -2.7173 -2.5083 -2.5038 -2.1832 -2.1775 -1.2927 -1.2914 -1.0408 -1.0375 -0.6629 -0.6589 -0.3225 -0.3205 -0.0313 -0.0307 3.9739 3.9742 6.5995 6.6006 7.1036 7.1045 7.7478 7.7485 8.5689 8.5707 8.9391 8.9396 k = 0.2609 0.2170 0.0410 ( 6085 PWs) bands (ev): -21.6455 -21.6455 -21.3828 -21.3828 -20.3168 -20.3168 -19.3989 -19.3989 -14.3702 -14.3702 -13.6252 -13.6252 -12.1982 -12.1982 -9.9675 -9.9672 -9.2207 -9.2205 -8.4396 -8.4391 -7.9382 -7.9374 -7.0321 -7.0313 -6.3378 -6.3367 -5.8804 -5.8793 -5.4177 -5.4169 -5.1855 -5.1848 -4.9066 -4.9055 -4.2599 -4.2590 -3.8394 -3.8382 -3.3975 -3.3965 -2.7173 -2.7165 -2.5173 -2.5128 -2.1907 -2.1849 -1.2997 -1.2985 -1.0455 -1.0423 -0.6684 -0.6646 -0.3262 -0.3242 -0.0310 -0.0304 3.9565 3.9568 6.5884 6.5894 7.0882 7.0890 7.7329 7.7336 8.5522 8.5540 8.9465 8.9472 k = 0.2500 0.2079 0.0393 ( 6084 PWs) bands (ev): -21.6468 -21.6468 -21.3852 -21.3851 -20.3139 -20.3139 -19.3987 -19.3987 -14.3699 -14.3699 -13.6263 -13.6263 -12.1951 -12.1950 -9.9630 -9.9627 -9.2202 -9.2200 -8.4377 -8.4373 -7.9258 -7.9250 -7.0366 -7.0358 -6.3455 -6.3445 -5.8785 -5.8774 -5.4172 -5.4164 -5.1860 -5.1852 -4.8941 -4.8929 -4.2589 -4.2580 -3.8383 -3.8371 -3.4003 -3.3993 -2.7167 -2.7158 -2.5260 -2.5215 -2.1985 -2.1925 -1.3064 -1.3051 -1.0500 -1.0467 -0.6745 -0.6708 -0.3298 -0.3278 -0.0308 -0.0301 3.9394 3.9397 6.5769 6.5779 7.0742 7.0751 7.7179 7.7186 8.5366 8.5383 8.9510 8.9519 k = 0.2391 0.1989 0.0376 ( 6084 PWs) bands (ev): -21.6482 -21.6482 -21.3875 -21.3875 -20.3111 -20.3111 -19.3985 -19.3985 -14.3696 -14.3696 -13.6274 -13.6273 -12.1920 -12.1919 -9.9584 -9.9581 -9.2198 -9.2196 -8.4359 -8.4355 -7.9131 -7.9123 -7.0416 -7.0407 -6.3533 -6.3522 -5.8763 -5.8753 -5.4166 -5.4159 -5.1865 -5.1857 -4.8816 -4.8805 -4.2581 -4.2572 -3.8373 -3.8361 -3.4031 -3.4021 -2.7163 -2.7154 -2.5345 -2.5300 -2.2063 -2.2003 -1.3126 -1.3114 -1.0541 -1.0509 -0.6812 -0.6777 -0.3332 -0.3313 -0.0305 -0.0298 3.9226 3.9229 6.5653 6.5662 7.0614 7.0624 7.7029 7.7036 8.5221 8.5237 8.9524 8.9535 k = 0.2283 0.1898 0.0359 ( 6077 PWs) bands (ev): -21.6495 -21.6495 -21.3898 -21.3898 -20.3083 -20.3082 -19.3984 -19.3984 -14.3693 -14.3693 -13.6284 -13.6284 -12.1888 -12.1887 -9.9538 -9.9535 -9.2195 -9.2193 -8.4341 -8.4337 -7.9003 -7.8994 -7.0469 -7.0461 -6.3609 -6.3599 -5.8738 -5.8728 -5.4160 -5.4153 -5.1871 -5.1863 -4.8694 -4.8683 -4.2573 -4.2564 -3.8363 -3.8352 -3.4058 -3.4048 -2.7161 -2.7151 -2.5426 -2.5382 -2.2144 -2.2084 -1.3184 -1.3171 -1.0579 -1.0548 -0.6884 -0.6850 -0.3364 -0.3346 -0.0303 -0.0295 3.9063 3.9065 6.5537 6.5545 7.0495 7.0506 7.6882 7.6890 8.5085 8.5101 8.9507 8.9520 k = 0.2174 0.1808 0.0342 ( 6081 PWs) bands (ev): -21.6509 -21.6509 -21.3921 -21.3921 -20.3055 -20.3055 -19.3982 -19.3982 -14.3690 -14.3690 -13.6295 -13.6294 -12.1857 -12.1857 -9.9493 -9.9490 -9.2192 -9.2190 -8.4323 -8.4319 -7.8873 -7.8864 -7.0527 -7.0518 -6.3684 -6.3674 -5.8710 -5.8701 -5.4154 -5.4147 -5.1877 -5.1869 -4.8574 -4.8564 -4.2567 -4.2558 -3.8356 -3.8345 -3.4083 -3.4073 -2.7161 -2.7150 -2.5504 -2.5461 -2.2226 -2.2165 -1.3236 -1.3224 -1.0614 -1.0584 -0.6961 -0.6929 -0.3394 -0.3377 -0.0300 -0.0293 3.8904 3.8906 6.5421 6.5428 7.0383 7.0395 7.6740 7.6748 8.4958 8.4973 8.9463 8.9477 k = 0.2065 0.1718 0.0325 ( 6092 PWs) bands (ev): -21.6522 -21.6522 -21.3943 -21.3943 -20.3028 -20.3028 -19.3981 -19.3981 -14.3687 -14.3687 -13.6305 -13.6305 -12.1827 -12.1826 -9.9447 -9.9444 -9.2190 -9.2188 -8.4305 -8.4301 -7.8742 -7.8734 -7.0588 -7.0579 -6.3758 -6.3748 -5.8681 -5.8672 -5.4147 -5.4141 -5.1883 -5.1876 -4.8459 -4.8449 -4.2561 -4.2552 -3.8349 -3.8339 -3.4108 -3.4098 -2.7163 -2.7152 -2.5576 -2.5535 -2.2308 -2.2248 -1.3284 -1.3271 -1.0646 -1.0616 -0.7042 -0.7012 -0.3422 -0.3406 -0.0298 -0.0290 3.8750 3.8753 6.5306 6.5313 7.0276 7.0288 7.6603 7.6612 8.4838 8.4852 8.9395 8.9409 k = 0.1957 0.1627 0.0308 ( 6089 PWs) bands (ev): -21.6535 -21.6535 -21.3965 -21.3965 -20.3001 -20.3001 -19.3979 -19.3979 -14.3684 -14.3684 -13.6315 -13.6315 -12.1797 -12.1796 -9.9402 -9.9399 -9.2188 -9.2186 -8.4287 -8.4284 -7.8611 -7.8602 -7.0651 -7.0642 -6.3830 -6.3820 -5.8650 -5.8641 -5.4140 -5.4134 -5.1889 -5.1882 -4.8347 -4.8338 -4.2557 -4.2548 -3.8343 -3.8334 -3.4130 -3.4121 -2.7168 -2.7155 -2.5644 -2.5605 -2.2391 -2.2332 -1.3326 -1.3313 -1.0674 -1.0645 -0.7128 -0.7100 -0.3448 -0.3433 -0.0295 -0.0288 3.8602 3.8605 6.5194 6.5200 7.0173 7.0186 7.6474 7.6483 8.4723 8.4737 8.9308 8.9324 k = 0.1848 0.1537 0.0290 ( 6089 PWs) bands (ev): -21.6548 -21.6548 -21.3986 -21.3986 -20.2975 -20.2975 -19.3978 -19.3978 -14.3681 -14.3681 -13.6325 -13.6325 -12.1768 -12.1767 -9.9357 -9.9354 -9.2186 -9.2185 -8.4270 -8.4267 -7.8480 -7.8471 -7.0718 -7.0709 -6.3900 -6.3891 -5.8617 -5.8609 -5.4132 -5.4126 -5.1895 -5.1888 -4.8239 -4.8231 -4.2553 -4.2545 -3.8339 -3.8330 -3.4152 -3.4142 -2.7174 -2.7161 -2.5707 -2.5669 -2.2474 -2.2416 -1.3363 -1.3351 -1.0698 -1.0671 -0.7216 -0.7190 -0.3472 -0.3458 -0.0293 -0.0286 3.8461 3.8463 6.5084 6.5090 7.0072 7.0086 7.6354 7.6363 8.4614 8.4626 8.9211 8.9227 k = 0.1739 0.1446 0.0273 ( 6090 PWs) bands (ev): -21.6561 -21.6561 -21.4006 -21.4006 -20.2950 -20.2950 -19.3976 -19.3976 -14.3679 -14.3678 -13.6335 -13.6334 -12.1739 -12.1739 -9.9314 -9.9311 -9.2185 -9.2184 -8.4253 -8.4250 -7.8349 -7.8341 -7.0786 -7.0777 -6.3968 -6.3959 -5.8583 -5.8576 -5.4124 -5.4118 -5.1901 -5.1894 -4.8137 -4.8129 -4.2551 -4.2542 -3.8336 -3.8327 -3.4172 -3.4162 -2.7183 -2.7168 -2.5765 -2.5728 -2.2557 -2.2500 -1.3395 -1.3383 -1.0719 -1.0693 -0.7307 -0.7283 -0.3494 -0.3481 -0.0292 -0.0284 3.8327 3.8329 6.4977 6.4983 6.9974 6.9988 7.6243 7.6252 8.4508 8.4519 8.9108 8.9124 k = 0.1630 0.1356 0.0256 ( 6094 PWs) bands (ev): -21.6573 -21.6573 -21.4025 -21.4025 -20.2926 -20.2926 -19.3975 -19.3975 -14.3676 -14.3676 -13.6344 -13.6343 -12.1712 -12.1711 -9.9271 -9.9268 -9.2185 -9.2183 -8.4237 -8.4234 -7.8221 -7.8212 -7.0856 -7.0847 -6.4034 -6.4025 -5.8549 -5.8543 -5.4115 -5.4110 -5.1906 -5.1899 -4.8040 -4.8032 -4.2549 -4.2541 -3.8334 -3.8325 -3.4190 -3.4181 -2.7192 -2.7177 -2.5817 -2.5783 -2.2640 -2.2583 -1.3422 -1.3410 -1.0736 -1.0711 -0.7400 -0.7378 -0.3514 -0.3502 -0.0290 -0.0283 3.8199 3.8201 6.4873 6.4878 6.9879 6.9893 7.6141 7.6151 8.4406 8.4415 8.9004 8.9021 k = 0.1522 0.1266 0.0239 ( 6100 PWs) bands (ev): -21.6585 -21.6585 -21.4044 -21.4044 -20.2903 -20.2903 -19.3973 -19.3973 -14.3673 -14.3673 -13.6352 -13.6352 -12.1686 -12.1685 -9.9230 -9.9227 -9.2184 -9.2183 -8.4221 -8.4218 -7.8094 -7.8086 -7.0926 -7.0917 -6.4097 -6.4089 -5.8515 -5.8509 -5.4107 -5.4102 -5.1910 -5.1904 -4.7948 -4.7941 -4.2549 -4.2541 -3.8333 -3.8325 -3.4207 -3.4198 -2.7203 -2.7187 -2.5863 -2.5832 -2.2721 -2.2666 -1.3444 -1.3433 -1.0750 -1.0726 -0.7494 -0.7474 -0.3531 -0.3521 -0.0288 -0.0281 3.8079 3.8082 6.4771 6.4776 6.9787 6.9801 7.6048 7.6058 8.4307 8.4315 8.8905 8.8922 k = 0.1413 0.1175 0.0222 ( 6099 PWs) bands (ev): -21.6596 -21.6596 -21.4061 -21.4061 -20.2881 -20.2881 -19.3972 -19.3972 -14.3671 -14.3670 -13.6361 -13.6360 -12.1661 -12.1660 -9.9190 -9.9188 -9.2184 -9.2183 -8.4206 -8.4204 -7.7971 -7.7963 -7.0996 -7.0988 -6.4157 -6.4149 -5.8482 -5.8476 -5.4098 -5.4093 -5.1915 -5.1909 -4.7863 -4.7856 -4.2549 -4.2541 -3.8332 -3.8325 -3.4222 -3.4214 -2.7214 -2.7197 -2.5905 -2.5876 -2.2799 -2.2747 -1.3462 -1.3451 -1.0759 -1.0737 -0.7588 -0.7570 -0.3547 -0.3538 -0.0287 -0.0280 3.7967 3.7969 6.4673 6.4677 6.9699 6.9714 7.5963 7.5973 8.4212 8.4220 8.8812 8.8830 k = 0.1304 0.1085 0.0205 ( 6096 PWs) bands (ev): -21.6607 -21.6607 -21.4078 -21.4077 -20.2860 -20.2860 -19.3971 -19.3971 -14.3668 -14.3668 -13.6369 -13.6368 -12.1637 -12.1636 -9.9152 -9.9150 -9.2185 -9.2184 -8.4192 -8.4190 -7.7851 -7.7843 -7.1066 -7.1058 -6.4214 -6.4207 -5.8449 -5.8444 -5.4088 -5.4084 -5.1918 -5.1913 -4.7783 -4.7777 -4.2549 -4.2542 -3.8333 -3.8327 -3.4236 -3.4228 -2.7226 -2.7208 -2.5942 -2.5915 -2.2876 -2.2825 -1.3477 -1.3466 -1.0765 -1.0744 -0.7682 -0.7665 -0.3562 -0.3553 -0.0286 -0.0279 3.7863 3.7865 6.4577 6.4582 6.9617 6.9631 7.5885 7.5895 8.4121 8.4129 8.8729 8.8746 k = 0.1196 0.0994 0.0188 ( 6095 PWs) bands (ev): -21.6617 -21.6617 -21.4093 -21.4093 -20.2841 -20.2841 -19.3969 -19.3969 -14.3666 -14.3666 -13.6376 -13.6376 -12.1615 -12.1614 -9.9117 -9.9114 -9.2185 -9.2184 -8.4179 -8.4176 -7.7736 -7.7729 -7.1135 -7.1127 -6.4268 -6.4261 -5.8417 -5.8412 -5.4079 -5.4075 -5.1922 -5.1916 -4.7709 -4.7703 -4.2551 -4.2544 -3.8335 -3.8329 -3.4248 -3.4241 -2.7237 -2.7219 -2.5975 -2.5950 -2.2949 -2.2901 -1.3488 -1.3478 -1.0768 -1.0749 -0.7774 -0.7759 -0.3574 -0.3567 -0.0284 -0.0278 3.7767 3.7769 6.4485 6.4489 6.9542 6.9555 7.5814 7.5823 8.4037 8.4044 8.8654 8.8671 k = 0.1087 0.0904 0.0171 ( 6095 PWs) bands (ev): -21.6626 -21.6626 -21.4107 -21.4107 -20.2823 -20.2823 -19.3968 -19.3968 -14.3664 -14.3663 -13.6383 -13.6383 -12.1594 -12.1593 -9.9083 -9.9081 -9.2186 -9.2185 -8.4167 -8.4164 -7.7626 -7.7620 -7.1201 -7.1193 -6.4318 -6.4312 -5.8387 -5.8383 -5.4070 -5.4067 -5.1925 -5.1920 -4.7642 -4.7637 -4.2552 -4.2546 -3.8337 -3.8332 -3.4259 -3.4253 -2.7247 -2.7229 -2.6003 -2.5981 -2.3018 -2.2974 -1.3496 -1.3487 -1.0768 -1.0750 -0.7863 -0.7849 -0.3585 -0.3579 -0.0283 -0.0278 3.7680 3.7681 6.4397 6.4401 6.9473 6.9486 7.5748 7.5757 8.3959 8.3966 8.8590 8.8606 k = 0.0978 0.0814 0.0154 ( 6101 PWs) bands (ev): -21.6635 -21.6635 -21.4120 -21.4120 -20.2806 -20.2806 -19.3967 -19.3967 -14.3662 -14.3662 -13.6389 -13.6389 -12.1575 -12.1575 -9.9052 -9.9050 -9.2187 -9.2186 -8.4155 -8.4153 -7.7523 -7.7517 -7.1264 -7.1257 -6.4364 -6.4359 -5.8359 -5.8355 -5.4061 -5.4058 -5.1927 -5.1922 -4.7581 -4.7576 -4.2554 -4.2548 -3.8340 -3.8335 -3.4269 -3.4263 -2.7256 -2.7239 -2.6028 -2.6008 -2.3084 -2.3043 -1.3502 -1.3493 -1.0764 -1.0748 -0.7948 -0.7936 -0.3595 -0.3590 -0.0282 -0.0277 3.7600 3.7602 6.4313 6.4316 6.9413 6.9425 7.5687 7.5696 8.3889 8.3895 8.8534 8.8550 k = 0.0870 0.0723 0.0137 ( 6101 PWs) bands (ev): -21.6643 -21.6643 -21.4132 -21.4132 -20.2791 -20.2791 -19.3966 -19.3966 -14.3660 -14.3660 -13.6395 -13.6395 -12.1558 -12.1557 -9.9024 -9.9022 -9.2188 -9.2187 -8.4145 -8.4143 -7.7428 -7.7422 -7.1324 -7.1317 -6.4407 -6.4401 -5.8333 -5.8329 -5.4053 -5.4050 -5.1929 -5.1925 -4.7527 -4.7523 -4.2556 -4.2551 -3.8343 -3.8338 -3.4277 -3.4272 -2.7265 -2.7248 -2.6049 -2.6031 -2.3144 -2.3106 -1.3505 -1.3497 -1.0759 -1.0744 -0.8029 -0.8018 -0.3604 -0.3599 -0.0282 -0.0277 3.7529 3.7531 6.4234 6.4237 6.9361 6.9372 7.5631 7.5639 8.3826 8.3833 8.8487 8.8502 k = 0.0761 0.0633 0.0120 ( 6102 PWs) bands (ev): -21.6650 -21.6650 -21.4142 -21.4142 -20.2778 -20.2778 -19.3965 -19.3965 -14.3658 -14.3658 -13.6400 -13.6400 -12.1542 -12.1542 -9.8998 -9.8997 -9.2189 -9.2188 -8.4136 -8.4134 -7.7341 -7.7335 -7.1379 -7.1373 -6.4444 -6.4440 -5.8310 -5.8306 -5.4045 -5.4043 -5.1930 -5.1927 -4.7479 -4.7475 -4.2558 -4.2553 -3.8346 -3.8342 -3.4284 -3.4279 -2.7272 -2.7256 -2.6067 -2.6052 -2.3198 -2.3165 -1.3507 -1.3500 -1.0751 -1.0739 -0.8104 -0.8095 -0.3611 -0.3607 -0.0281 -0.0277 3.7467 3.7468 6.4162 6.4164 6.9317 6.9327 7.5579 7.5586 8.3772 8.3778 8.8448 8.8461 k = 0.0652 0.0542 0.0103 ( 6104 PWs) bands (ev): -21.6656 -21.6656 -21.4151 -21.4151 -20.2766 -20.2766 -19.3965 -19.3965 -14.3657 -14.3657 -13.6404 -13.6404 -12.1529 -12.1528 -9.8976 -9.8974 -9.2190 -9.2189 -8.4128 -8.4126 -7.7263 -7.7258 -7.1428 -7.1423 -6.4478 -6.4474 -5.8289 -5.8286 -5.4038 -5.4036 -5.1932 -5.1929 -4.7437 -4.7434 -4.2560 -4.2556 -3.8348 -3.8345 -3.4290 -3.4286 -2.7277 -2.7263 -2.6083 -2.6069 -2.3247 -2.3217 -1.3508 -1.3502 -1.0743 -1.0732 -0.8171 -0.8164 -0.3617 -0.3614 -0.0280 -0.0277 3.7413 3.7413 6.4096 6.4098 6.9282 6.9290 7.5532 7.5539 8.3727 8.3732 8.8416 8.8428 k = 0.0543 0.0452 0.0085 ( 6104 PWs) bands (ev): -21.6661 -21.6661 -21.4159 -21.4159 -20.2756 -20.2756 -19.3964 -19.3964 -14.3656 -14.3655 -13.6408 -13.6408 -12.1517 -12.1517 -9.8956 -9.8955 -9.2190 -9.2190 -8.4121 -8.4120 -7.7195 -7.7191 -7.1471 -7.1467 -6.4506 -6.4503 -5.8271 -5.8268 -5.4031 -5.4030 -5.1933 -5.1930 -4.7402 -4.7399 -4.2561 -4.2558 -3.8351 -3.8349 -3.4295 -3.4291 -2.7281 -2.7269 -2.6095 -2.6084 -2.3288 -2.3263 -1.3508 -1.3503 -1.0733 -1.0724 -0.8231 -0.8225 -0.3622 -0.3620 -0.0280 -0.0276 3.7367 3.7368 6.4038 6.4040 6.9253 6.9261 7.5490 7.5496 8.3689 8.3694 8.8390 8.8400 k = 0.0435 0.0362 0.0068 ( 6103 PWs) bands (ev): -21.6666 -21.6666 -21.4165 -21.4165 -20.2748 -20.2748 -19.3963 -19.3963 -14.3654 -14.3654 -13.6411 -13.6411 -12.1508 -12.1507 -9.8941 -9.8940 -9.2191 -9.2191 -8.4115 -8.4114 -7.7138 -7.7135 -7.1508 -7.1504 -6.4530 -6.4527 -5.8256 -5.8254 -5.4026 -5.4024 -5.1933 -5.1931 -4.7373 -4.7371 -4.2563 -4.2560 -3.8354 -3.8352 -3.4299 -3.4296 -2.7284 -2.7274 -2.6105 -2.6096 -2.3322 -2.3302 -1.3508 -1.3503 -1.0724 -1.0717 -0.8282 -0.8276 -0.3626 -0.3624 -0.0279 -0.0276 3.7329 3.7330 6.3989 6.3991 6.9232 6.9238 7.5455 7.5460 8.3660 8.3664 8.8370 8.8378 k = 0.0326 0.0271 0.0051 ( 6105 PWs) bands (ev): -21.6669 -21.6669 -21.4170 -21.4170 -20.2742 -20.2742 -19.3963 -19.3963 -14.3654 -14.3654 -13.6414 -13.6414 -12.1500 -12.1500 -9.8928 -9.8927 -9.2192 -9.2191 -8.4111 -8.4110 -7.7093 -7.7091 -7.1537 -7.1534 -6.4548 -6.4546 -5.8244 -5.8242 -5.4021 -5.4020 -5.1934 -5.1932 -4.7351 -4.7349 -4.2564 -4.2562 -3.8356 -3.8354 -3.4301 -3.4299 -2.7286 -2.7278 -2.6113 -2.6106 -2.3349 -2.3333 -1.3507 -1.3503 -1.0716 -1.0710 -0.8322 -0.8318 -0.3630 -0.3628 -0.0278 -0.0277 3.7300 3.7301 6.3950 6.3951 6.9216 6.9221 7.5427 7.5430 8.3638 8.3641 8.8355 8.8361 k = 0.0217 0.0181 0.0034 ( 6103 PWs) bands (ev): -21.6671 -21.6671 -21.4174 -21.4174 -20.2737 -20.2737 -19.3963 -19.3963 -14.3653 -14.3653 -13.6415 -13.6415 -12.1495 -12.1495 -9.8919 -9.8918 -9.2192 -9.2192 -8.4107 -8.4107 -7.7060 -7.7059 -7.1558 -7.1556 -6.4562 -6.4560 -5.8235 -5.8234 -5.4018 -5.4017 -5.1934 -5.1933 -4.7335 -4.7334 -4.2565 -4.2563 -3.8357 -3.8356 -3.4303 -3.4302 -2.7287 -2.7282 -2.6118 -2.6113 -2.3367 -2.3357 -1.3506 -1.3504 -1.0709 -1.0705 -0.8351 -0.8349 -0.3632 -0.3631 -0.0278 -0.0277 3.7280 3.7280 6.3922 6.3922 6.9206 6.9209 7.5406 7.5408 8.3623 8.3625 8.8345 8.8349 k = 0.0109 0.0090 0.0017 ( 6098 PWs) bands (ev): -21.6673 -21.6673 -21.4176 -21.4176 -20.2734 -20.2734 -19.3962 -19.3962 -14.3653 -14.3653 -13.6416 -13.6416 -12.1492 -12.1491 -9.8913 -9.8913 -9.2192 -9.2192 -8.4105 -8.4105 -7.7040 -7.7039 -7.1571 -7.1570 -6.4569 -6.4569 -5.8230 -5.8229 -5.4016 -5.4016 -5.1934 -5.1933 -4.7325 -4.7325 -4.2565 -4.2564 -3.8358 -3.8357 -3.4304 -3.4304 -2.7287 -2.7284 -2.6120 -2.6118 -2.3377 -2.3372 -1.3505 -1.3504 -1.0705 -1.0703 -0.8369 -0.8368 -0.3633 -0.3632 -0.0278 -0.0277 3.7267 3.7267 6.3904 6.3905 6.9201 6.9202 7.5394 7.5395 8.3614 8.3615 8.8339 8.8341 k = 0.0000 0.0000 0.0000 ( 6101 PWs) bands (ev): -21.6673 -21.6673 -21.4177 -21.4177 -20.2733 -20.2733 -19.3962 -19.3962 -14.3653 -14.3653 -13.6417 -13.6417 -12.1491 -12.1491 -9.8911 -9.8911 -9.2192 -9.2192 -8.4105 -8.4105 -7.7033 -7.7033 -7.1575 -7.1575 -6.4572 -6.4572 -5.8228 -5.8228 -5.4015 -5.4015 -5.1934 -5.1934 -4.7322 -4.7322 -4.2565 -4.2565 -3.8358 -3.8358 -3.4304 -3.4304 -2.7286 -2.7286 -2.6120 -2.6120 -2.3379 -2.3379 -1.3504 -1.3504 -1.0702 -1.0702 -0.8374 -0.8374 -0.3633 -0.3633 -0.0277 -0.0277 3.7263 3.7263 6.3899 6.3899 6.9199 6.9199 7.5390 7.5390 8.3612 8.3612 8.8338 8.8338 Writing output data file H4C3O2.save init_run : 0.86s CPU 0.54s WALL ( 1 calls) electrons : 349.37s CPU 260.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.12s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 349.36s CPU 260.76s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.38s CPU 0.40s WALL ( 267 calls) cegterg : 302.08s CPU 232.66s WALL ( 355 calls) Called by sum_band: Called by *egterg: h_psi : 192.94s CPU 122.67s WALL ( 6030 calls) s_psi : 8.72s CPU 5.91s WALL ( 6030 calls) g_psi : 0.42s CPU 0.38s WALL ( 5408 calls) cdiaghg : 100.06s CPU 91.97s WALL ( 5675 calls) cegterg:over : 15.36s CPU 12.76s WALL ( 5408 calls) cegterg:upda : 13.84s CPU 12.06s WALL ( 5408 calls) cegterg:last : 4.58s CPU 4.50s WALL ( 897 calls) cdiaghg:chol : 5.43s CPU 5.39s WALL ( 5675 calls) cdiaghg:inve : 4.21s CPU 3.89s WALL ( 5675 calls) cdiaghg:para : 7.30s CPU 6.72s WALL ( 11350 calls) Called by h_psi: h_psi:vloc : 170.66s CPU 106.60s WALL ( 6030 calls) h_psi:vnl : 21.73s CPU 15.65s WALL ( 6030 calls) add_vuspsi : 10.10s CPU 7.11s WALL ( 6030 calls) General routines calbec : 11.60s CPU 8.52s WALL ( 6030 calls) fft : 0.09s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 161.34s CPU 99.58s WALL ( 869376 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 1.37s WALL ( 534 calls) Parallel routines fft_scatter : 60.60s CPU 42.61s WALL ( 869399 calls) PWSCF : 6m10.07s CPU 4m58.64s WALL This run was terminated on: 2:41:45 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=