Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:23:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScHCl.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 97 49 14 2361 844 137 Max 98 50 15 2364 860 139 Sum 3527 1787 537 85067 30711 4979 bravais-lattice index = 14 lattice parameter (alat) = 17.1376 a.u. unit-cell volume = 625.3793 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.137612 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.926438 celldm(5)= 0.926438 celldm(6)= 0.926438 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.926438 0.376446 0.000000 ) a(3) = ( 0.926438 0.181036 0.330057 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.461010 -1.457042 ) b(2) = ( 0.000000 2.656421 -1.457042 ) b(3) = ( 0.000000 0.000000 3.029776 ) PseudoPot. # 1 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. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Sc 11.00 44.95590 Sc( 1.00) Cl 7.00 35.45300 Cl( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0094340 -0.0232171 -0.0137457), wk = 0.0030120 k( 3) = ( 0.0188679 -0.0464341 -0.0274913), wk = 0.0030120 k( 4) = ( 0.0283019 -0.0696512 -0.0412370), wk = 0.0030120 k( 5) = ( 0.0377359 -0.0928683 -0.0549827), wk = 0.0030120 k( 6) = ( 0.0471698 -0.1160854 -0.0687284), wk = 0.0030120 k( 7) = ( 0.0566038 -0.1393025 -0.0824740), wk = 0.0030120 k( 8) = ( 0.0660377 -0.1625196 -0.0962197), wk = 0.0030120 k( 9) = ( 0.0754717 -0.1857366 -0.1099654), wk = 0.0030120 k( 10) = ( 0.0849057 -0.2089537 -0.1237111), wk = 0.0030120 k( 11) = ( 0.0943396 -0.2321708 -0.1374568), wk = 0.0030120 k( 12) = ( 0.1037736 -0.2553879 -0.1512024), wk = 0.0030120 k( 13) = ( 0.1132076 -0.2786050 -0.1649481), wk = 0.0030120 k( 14) = ( 0.1226415 -0.3018220 -0.1786938), wk = 0.0030120 k( 15) = ( 0.1320755 -0.3250391 -0.1924395), wk = 0.0030120 k( 16) = ( 0.1415094 -0.3482562 -0.2061851), wk = 0.0030120 k( 17) = ( 0.1509434 -0.3714733 -0.2199308), wk = 0.0030120 k( 18) = ( 0.1603774 -0.3946904 -0.2336765), wk = 0.0030120 k( 19) = ( 0.1698113 -0.4179074 -0.2474222), wk = 0.0030120 k( 20) = ( 0.1792453 -0.4411245 -0.2611678), wk = 0.0030120 k( 21) = ( 0.1886792 -0.4643416 -0.2749135), wk = 0.0030120 k( 22) = ( 0.1981132 -0.4875587 -0.2886592), wk = 0.0030120 k( 23) = ( 0.2075472 -0.5107758 -0.3024049), wk = 0.0030120 k( 24) = ( 0.2169811 -0.5339928 -0.3161505), wk = 0.0030120 k( 25) = ( 0.2264151 -0.5572099 -0.3298962), wk = 0.0030120 k( 26) = ( 0.2358491 -0.5804270 -0.3436419), wk = 0.0030120 k( 27) = ( 0.2452830 -0.6036441 -0.3573876), wk = 0.0030120 k( 28) = ( 0.2547170 -0.6268612 -0.3711332), wk = 0.0030120 k( 29) = ( 0.2641509 -0.6500782 -0.3848789), wk = 0.0030120 k( 30) = ( 0.2735849 -0.6732953 -0.3986246), wk = 0.0030120 k( 31) = ( 0.2830189 -0.6965124 -0.4123703), wk = 0.0030120 k( 32) = ( 0.2924528 -0.7197295 -0.4261159), wk = 0.0030120 k( 33) = ( 0.3018868 -0.7429466 -0.4398616), wk = 0.0030120 k( 34) = ( 0.3113207 -0.7661636 -0.4536073), wk = 0.0030120 k( 35) = ( 0.3207547 -0.7893807 -0.4673530), wk = 0.0030120 k( 36) = ( 0.3301887 -0.8125978 -0.4810986), wk = 0.0030120 k( 37) = ( 0.3396226 -0.8358149 -0.4948443), wk = 0.0030120 k( 38) = ( 0.3490566 -0.8590319 -0.5085900), wk = 0.0030120 k( 39) = ( 0.3584906 -0.8822490 -0.5223357), wk = 0.0030120 k( 40) = ( 0.3679245 -0.9054661 -0.5360813), wk = 0.0030120 k( 41) = ( 0.3773585 -0.9286832 -0.5498270), wk = 0.0030120 k( 42) = ( 0.3867925 -0.9519003 -0.5635727), wk = 0.0030120 k( 43) = ( 0.3962264 -0.9751174 -0.5773184), wk = 0.0030120 k( 44) = ( 0.4056604 -0.9983344 -0.5910640), wk = 0.0030120 k( 45) = ( 0.4150943 -1.0215515 -0.6048097), wk = 0.0030120 k( 46) = ( 0.4245283 -1.0447686 -0.6185554), wk = 0.0030120 k( 47) = ( 0.4339623 -1.0679857 -0.6323011), wk = 0.0030120 k( 48) = ( 0.4433962 -1.0912028 -0.6460468), wk = 0.0030120 k( 49) = ( 0.4528302 -1.1144198 -0.6597924), wk = 0.0030120 k( 50) = ( 0.4622641 -1.1376369 -0.6735381), wk = 0.0030120 k( 51) = ( 0.4716981 -1.1608540 -0.6872838), wk = 0.0030120 k( 52) = ( 0.4811321 -1.1840711 -0.7010295), wk = 0.0030120 k( 53) = ( 0.4905660 -1.2072882 -0.7147751), wk = 0.0030120 k( 54) = ( 0.5000000 -1.2305052 -0.7285208), wk = 0.0030120 k( 55) = ( 0.5000000 -1.2305052 -0.7285208), wk = 0.0030120 k( 56) = ( 0.5000000 -1.2159562 -0.7530948), wk = 0.0030120 k( 57) = ( 0.5000000 -1.2014072 -0.7776688), wk = 0.0030120 k( 58) = ( 0.5000000 -1.1868582 -0.8022427), wk = 0.0030120 k( 59) = ( 0.5000000 -1.1723091 -0.8268167), wk = 0.0030120 k( 60) = ( 0.5000000 -1.1577601 -0.8513907), wk = 0.0030120 k( 61) = ( 0.5000000 -1.1432111 -0.8759647), wk = 0.0030120 k( 62) = ( 0.5000000 -1.1286621 -0.9005386), wk = 0.0030120 k( 63) = ( 0.5000000 -1.1141130 -0.9251126), wk = 0.0030120 k( 64) = ( 0.5000000 -1.0995640 -0.9496866), wk = 0.0030120 k( 65) = ( 0.5000000 -1.0850150 -0.9742606), wk = 0.0030120 k( 66) = ( 0.5000000 -1.0704660 -0.9988345), wk = 0.0030120 k( 67) = ( 0.5000000 -1.0559169 -1.0234085), wk = 0.0030120 k( 68) = ( 0.5000000 -1.0413679 -1.0479825), wk = 0.0030120 k( 69) = ( 0.5000000 -1.0268189 -1.0725565), wk = 0.0030120 k( 70) = ( 0.5000000 -1.0122699 -1.0971304), wk = 0.0030120 k( 71) = ( 0.5000000 -0.9977208 -1.1217044), wk = 0.0030120 k( 72) = ( 0.5000000 -0.9831718 -1.1462784), wk = 0.0030120 k( 73) = ( 0.5000000 -0.9686228 -1.1708524), wk = 0.0030120 k( 74) = ( 0.5000000 -0.9540737 -1.1954264), wk = 0.0030120 k( 75) = ( 0.5000000 -0.9395247 -1.2200003), wk = 0.0030120 k( 76) = ( 0.5000000 -0.9249757 -1.2445743), wk = 0.0030120 k( 77) = ( 0.5000000 -0.9104267 -1.2691483), wk = 0.0030120 k( 78) = ( 0.5000000 -0.8958776 -1.2937223), wk = 0.0030120 k( 79) = ( 0.5000000 -0.8813286 -1.3182962), wk = 0.0030120 k( 80) = ( 0.5000000 -0.8667796 -1.3428702), wk = 0.0030120 k( 81) = ( 0.5000000 -0.8522306 -1.3674442), wk = 0.0030120 k( 82) = ( 0.5000000 -0.8376815 -1.3920182), wk = 0.0030120 k( 83) = ( 0.5000000 -0.8231325 -1.4165921), wk = 0.0030120 k( 84) = ( 0.5000000 -0.8085835 -1.4411661), wk = 0.0030120 k( 85) = ( 0.5000000 -0.7940345 -1.4657401), wk = 0.0030120 k( 86) = ( 0.5000000 -0.7794854 -1.4903141), wk = 0.0030120 k( 87) = ( 0.5000000 -0.7649364 -1.5148880), wk = 0.0030120 k( 88) = ( 0.8247383 -0.7014791 -1.3991952), wk = 0.0030120 k( 89) = ( 0.8192343 -0.6879336 -1.3744996), wk = 0.0030120 k( 90) = ( 0.8137302 -0.6743881 -1.3498040), wk = 0.0030120 k( 91) = ( 0.8082262 -0.6608426 -1.3251083), wk = 0.0030120 k( 92) = ( 0.8027222 -0.6472971 -1.3004127), wk = 0.0030120 k( 93) = ( 0.7972181 -0.6337516 -1.2757171), wk = 0.0030120 k( 94) = ( 0.7917141 -0.6202061 -1.2510215), wk = 0.0030120 k( 95) = ( 0.7862100 -0.6066606 -1.2263258), wk = 0.0030120 k( 96) = ( 0.7807060 -0.5931151 -1.2016302), wk = 0.0030120 k( 97) = ( 0.7752020 -0.5795696 -1.1769346), wk = 0.0030120 k( 98) = ( 0.7696979 -0.5660241 -1.1522390), wk = 0.0030120 k( 99) = ( 0.7641939 -0.5524786 -1.1275433), wk = 0.0030120 k( 100) = ( 0.7586898 -0.5389331 -1.1028477), wk = 0.0030120 k( 101) = ( 0.7531858 -0.5253877 -1.0781521), wk = 0.0030120 k( 102) = ( 0.7476818 -0.5118422 -1.0534565), wk = 0.0030120 k( 103) = ( 0.7421777 -0.4982967 -1.0287609), wk = 0.0030120 k( 104) = ( 0.7366737 -0.4847512 -1.0040653), wk = 0.0030120 k( 105) = ( 0.7311697 -0.4712057 -0.9793696), wk = 0.0030120 k( 106) = ( 0.7256656 -0.4576602 -0.9546740), wk = 0.0030120 k( 107) = ( 0.7201616 -0.4441147 -0.9299784), wk = 0.0030120 k( 108) = ( 0.7146575 -0.4305692 -0.9052828), wk = 0.0030120 k( 109) = ( 0.7091535 -0.4170237 -0.8805871), wk = 0.0030120 k( 110) = ( 0.7036495 -0.4034782 -0.8558915), wk = 0.0030120 k( 111) = ( 0.6981454 -0.3899327 -0.8311959), wk = 0.0030120 k( 112) = ( 0.6926414 -0.3763872 -0.8065003), wk = 0.0030120 k( 113) = ( 0.6871373 -0.3628417 -0.7818047), wk = 0.0030120 k( 114) = ( 0.6816333 -0.3492962 -0.7571091), wk = 0.0030120 k( 115) = ( 0.6761293 -0.3357507 -0.7324135), wk = 0.0030120 k( 116) = ( 0.6706252 -0.3222052 -0.7077178), wk = 0.0030120 k( 117) = ( 0.6651212 -0.3086597 -0.6830222), wk = 0.0030120 k( 118) = ( 0.6596171 -0.2951142 -0.6583266), wk = 0.0030120 k( 119) = ( 0.6541131 -0.2815687 -0.6336310), wk = 0.0030120 k( 120) = ( 0.6486091 -0.2680232 -0.6089353), wk = 0.0030120 k( 121) = ( 0.6431050 -0.2544777 -0.5842397), wk = 0.0030120 k( 122) = ( 0.6376010 -0.2409322 -0.5595441), wk = 0.0030120 k( 123) = ( 0.6320969 -0.2273867 -0.5348485), wk = 0.0030120 k( 124) = ( 0.6265929 -0.2138412 -0.5101528), wk = 0.0030120 k( 125) = ( 0.6210889 -0.2002957 -0.4854572), wk = 0.0030120 k( 126) = ( 0.6155848 -0.1867502 -0.4607616), wk = 0.0030120 k( 127) = ( 0.6100808 -0.1732047 -0.4360660), wk = 0.0030120 k( 128) = ( 0.6045767 -0.1596592 -0.4113704), wk = 0.0030120 k( 129) = ( 0.5990727 -0.1461137 -0.3866748), wk = 0.0030120 k( 130) = ( 0.5935687 -0.1325682 -0.3619791), wk = 0.0030120 k( 131) = ( 0.5880646 -0.1190227 -0.3372835), wk = 0.0030120 k( 132) = ( 0.5825606 -0.1054772 -0.3125879), wk = 0.0030120 k( 133) = ( 0.5770566 -0.0919317 -0.2878923), wk = 0.0030120 k( 134) = ( 0.5715525 -0.0783862 -0.2631966), wk = 0.0030120 k( 135) = ( 0.5660485 -0.0648407 -0.2385010), wk = 0.0030120 k( 136) = ( 0.5605444 -0.0512952 -0.2138054), wk = 0.0030120 k( 137) = ( 0.5550404 -0.0377497 -0.1891098), wk = 0.0030120 k( 138) = ( 0.5495364 -0.0242042 -0.1644142), wk = 0.0030120 k( 139) = ( 0.5440323 -0.0106587 -0.1397185), wk = 0.0030120 k( 140) = ( 0.5385283 0.0028868 -0.1150229), wk = 0.0030120 k( 141) = ( 0.5330242 0.0164323 -0.0903273), wk = 0.0030120 k( 142) = ( 0.5275202 0.0299778 -0.0656317), wk = 0.0030120 k( 143) = ( 0.5220162 0.0435233 -0.0409361), wk = 0.0030120 k( 144) = ( 0.5165121 0.0570688 -0.0162405), wk = 0.0030120 k( 145) = ( 0.5110081 0.0706143 0.0084552), wk = 0.0030120 k( 146) = ( 0.5055040 0.0841598 0.0331508), wk = 0.0030120 k( 147) = ( 0.5000000 0.0977053 0.0578464), wk = 0.0030120 k( 148) = ( 0.5000000 0.0977053 0.0578464), wk = 0.0030120 k( 149) = ( 0.4722222 0.0922772 0.0546327), wk = 0.0030120 k( 150) = ( 0.4444444 0.0868491 0.0514190), wk = 0.0030120 k( 151) = ( 0.4166667 0.0814211 0.0482053), wk = 0.0030120 k( 152) = ( 0.3888889 0.0759930 0.0449917), wk = 0.0030120 k( 153) = ( 0.3611111 0.0705649 0.0417780), wk = 0.0030120 k( 154) = ( 0.3333333 0.0651368 0.0385643), wk = 0.0030120 k( 155) = ( 0.3055556 0.0597088 0.0353506), wk = 0.0030120 k( 156) = ( 0.2777778 0.0542807 0.0321369), wk = 0.0030120 k( 157) = ( 0.2500000 0.0488526 0.0289232), wk = 0.0030120 k( 158) = ( 0.2222222 0.0434246 0.0257095), wk = 0.0030120 k( 159) = ( 0.1944444 0.0379965 0.0224958), wk = 0.0030120 k( 160) = ( 0.1666667 0.0325684 0.0192821), wk = 0.0030120 k( 161) = ( 0.1388889 0.0271404 0.0160684), wk = 0.0030120 k( 162) = ( 0.1111111 0.0217123 0.0128548), wk = 0.0030120 k( 163) = ( 0.0833333 0.0162842 0.0096411), wk = 0.0030120 k( 164) = ( 0.0555556 0.0108561 0.0064274), wk = 0.0030120 k( 165) = ( 0.0277778 0.0054281 0.0032137), wk = 0.0030120 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 168) = ( 0.0055349 -0.0136215 -0.0248342), wk = 0.0030120 k( 169) = ( 0.0110699 -0.0272430 -0.0496684), wk = 0.0030120 k( 170) = ( 0.0166048 -0.0408646 -0.0745027), wk = 0.0030120 k( 171) = ( 0.0221397 -0.0544861 -0.0993369), wk = 0.0030120 k( 172) = ( 0.0276747 -0.0681076 -0.1241712), wk = 0.0030120 k( 173) = ( 0.0332096 -0.0817291 -0.1490054), wk = 0.0030120 k( 174) = ( 0.0387445 -0.0953507 -0.1738396), wk = 0.0030120 k( 175) = ( 0.0442794 -0.1089722 -0.1986738), wk = 0.0030120 k( 176) = ( 0.0498144 -0.1225937 -0.2235081), wk = 0.0030120 k( 177) = ( 0.0553493 -0.1362153 -0.2483423), wk = 0.0030120 k( 178) = ( 0.0608843 -0.1498368 -0.2731765), wk = 0.0030120 k( 179) = ( 0.0664192 -0.1634583 -0.2980107), wk = 0.0030120 k( 180) = ( 0.0719541 -0.1770798 -0.3228450), wk = 0.0030120 k( 181) = ( 0.0774891 -0.1907014 -0.3476792), wk = 0.0030120 k( 182) = ( 0.0830240 -0.2043229 -0.3725135), wk = 0.0030120 k( 183) = ( 0.0885589 -0.2179444 -0.3973477), wk = 0.0030120 k( 184) = ( 0.0940938 -0.2315659 -0.4221819), wk = 0.0030120 k( 185) = ( 0.0996288 -0.2451874 -0.4470161), wk = 0.0030120 k( 186) = ( 0.1051637 -0.2588090 -0.4718503), wk = 0.0030120 k( 187) = ( 0.1106986 -0.2724305 -0.4966846), wk = 0.0030120 k( 188) = ( 0.1162336 -0.2860520 -0.5215188), wk = 0.0030120 k( 189) = ( 0.1217685 -0.2996736 -0.5463531), wk = 0.0030120 k( 190) = ( 0.1273034 -0.3132951 -0.5711873), wk = 0.0030120 k( 191) = ( 0.1328384 -0.3269166 -0.5960215), wk = 0.0030120 k( 192) = ( 0.1383733 -0.3405381 -0.6208558), wk = 0.0030120 k( 193) = ( 0.1439082 -0.3541597 -0.6456900), wk = 0.0030120 k( 194) = ( 0.1494432 -0.3677812 -0.6705242), wk = 0.0030120 k( 195) = ( 0.1549781 -0.3814027 -0.6953584), wk = 0.0030120 k( 196) = ( 0.1605130 -0.3950242 -0.7201926), wk = 0.0030120 k( 197) = ( 0.1660480 -0.4086458 -0.7450269), wk = 0.0030120 k( 198) = ( 0.1715829 -0.4222673 -0.7698611), wk = 0.0030120 k( 199) = ( 0.1771178 -0.4358888 -0.7946954), wk = 0.0030120 k( 200) = ( 0.1826528 -0.4495103 -0.8195296), wk = 0.0030120 k( 201) = ( 0.1881877 -0.4631319 -0.8443638), wk = 0.0030120 k( 202) = ( 0.1937226 -0.4767534 -0.8691980), wk = 0.0030120 k( 203) = ( 0.1992576 -0.4903749 -0.8940323), wk = 0.0030120 k( 204) = ( 0.2047925 -0.5039964 -0.9188665), wk = 0.0030120 k( 205) = ( 0.2103274 -0.5176180 -0.9437007), wk = 0.0030120 k( 206) = ( 0.2158623 -0.5312395 -0.9685350), wk = 0.0030120 k( 207) = ( 0.2213973 -0.5448610 -0.9933692), wk = 0.0030120 k( 208) = ( 0.2269322 -0.5584825 -1.0182034), wk = 0.0030120 k( 209) = ( 0.2324671 -0.5721041 -1.0430377), wk = 0.0030120 k( 210) = ( 0.2380021 -0.5857256 -1.0678719), wk = 0.0030120 k( 211) = ( 0.2435370 -0.5993471 -1.0927061), wk = 0.0030120 k( 212) = ( 0.2490719 -0.6129686 -1.1175403), wk = 0.0030120 k( 213) = ( 0.2546069 -0.6265901 -1.1423745), wk = 0.0030120 k( 214) = ( 0.2601418 -0.6402117 -1.1672088), wk = 0.0030120 k( 215) = ( 0.2656767 -0.6538332 -1.1920430), wk = 0.0030120 k( 216) = ( 0.2712117 -0.6674547 -1.2168773), wk = 0.0030120 k( 217) = ( 0.2767466 -0.6810763 -1.2417115), wk = 0.0030120 k( 218) = ( 0.2822815 -0.6946978 -1.2665457), wk = 0.0030120 k( 219) = ( 0.2878165 -0.7083193 -1.2913800), wk = 0.0030120 k( 220) = ( 0.2933514 -0.7219408 -1.3162142), wk = 0.0030120 k( 221) = ( 0.2988863 -0.7355624 -1.3410484), wk = 0.0030120 k( 222) = ( 0.3044212 -0.7491839 -1.3658826), wk = 0.0030120 k( 223) = ( 0.3099562 -0.7628054 -1.3907169), wk = 0.0030120 k( 224) = ( 0.3154911 -0.7764269 -1.4155511), wk = 0.0030120 k( 225) = ( 0.3210261 -0.7900485 -1.4403853), wk = 0.0030120 k( 226) = ( 0.3265610 -0.8036700 -1.4652196), wk = 0.0030120 k( 227) = ( 0.3320959 -0.8172915 -1.4900538), wk = 0.0030120 k( 228) = ( 0.3376308 -0.8309130 -1.5148880), wk = 0.0030120 k( 229) = ( 0.6623692 -0.7332078 -1.4570416), wk = 0.0030120 k( 230) = ( 0.6569569 -0.7055107 -1.4570416), wk = 0.0030120 k( 231) = ( 0.6515446 -0.6778136 -1.4570416), wk = 0.0030120 k( 232) = ( 0.6461322 -0.6501165 -1.4570416), wk = 0.0030120 k( 233) = ( 0.6407199 -0.6224194 -1.4570416), wk = 0.0030120 k( 234) = ( 0.6353076 -0.5947223 -1.4570416), wk = 0.0030120 k( 235) = ( 0.6298953 -0.5670252 -1.4570416), wk = 0.0030120 k( 236) = ( 0.6244830 -0.5393281 -1.4570416), wk = 0.0030120 k( 237) = ( 0.6190707 -0.5116310 -1.4570416), wk = 0.0030120 k( 238) = ( 0.6136584 -0.4839339 -1.4570416), wk = 0.0030120 k( 239) = ( 0.6082461 -0.4562368 -1.4570416), wk = 0.0030120 k( 240) = ( 0.6028338 -0.4285397 -1.4570416), wk = 0.0030120 k( 241) = ( 0.5974215 -0.4008425 -1.4570416), wk = 0.0030120 k( 242) = ( 0.5920092 -0.3731455 -1.4570416), wk = 0.0030120 k( 243) = ( 0.5865969 -0.3454483 -1.4570416), wk = 0.0030120 k( 244) = ( 0.5811846 -0.3177513 -1.4570416), wk = 0.0030120 k( 245) = ( 0.5757723 -0.2900541 -1.4570416), wk = 0.0030120 k( 246) = ( 0.5703600 -0.2623571 -1.4570416), wk = 0.0030120 k( 247) = ( 0.5649477 -0.2346599 -1.4570416), wk = 0.0030120 k( 248) = ( 0.5595354 -0.2069629 -1.4570416), wk = 0.0030120 k( 249) = ( 0.5541230 -0.1792657 -1.4570416), wk = 0.0030120 k( 250) = ( 0.5487108 -0.1515687 -1.4570416), wk = 0.0030120 k( 251) = ( 0.5432984 -0.1238715 -1.4570416), wk = 0.0030120 k( 252) = ( 0.5378861 -0.0961745 -1.4570416), wk = 0.0030120 k( 253) = ( 0.5324738 -0.0684773 -1.4570416), wk = 0.0030120 k( 254) = ( 0.5270615 -0.0407803 -1.4570416), wk = 0.0030120 k( 255) = ( 0.5216492 -0.0130831 -1.4570416), wk = 0.0030120 k( 256) = ( 0.5162369 0.0146139 -1.4570416), wk = 0.0030120 k( 257) = ( 0.5108246 0.0423111 -1.4570416), wk = 0.0030120 k( 258) = ( 0.5054123 0.0700081 -1.4570416), wk = 0.0030120 k( 259) = ( 0.5000000 0.0977053 -1.4570416), wk = 0.0030120 k( 260) = ( 0.5000000 0.0977053 -1.4570416), wk = 0.0030120 k( 261) = ( 0.5231956 0.1022379 -1.4487778), wk = 0.0030120 k( 262) = ( 0.5463912 0.1067706 -1.4405140), wk = 0.0030120 k( 263) = ( 0.5695868 0.1113033 -1.4322503), wk = 0.0030120 k( 264) = ( 0.5927824 0.1158359 -1.4239865), wk = 0.0030120 k( 265) = ( 0.6159780 0.1203686 -1.4157227), wk = 0.0030120 k( 266) = ( 0.6391736 0.1249012 -1.4074589), wk = 0.0030120 k( 267) = ( 0.6623692 0.1294339 -1.3991952), wk = 0.0030120 k( 268) = ( 0.6623692 0.1294339 -1.3991952), wk = 0.0030120 k( 269) = ( 0.6591854 0.1288118 -1.3706257), wk = 0.0030120 k( 270) = ( 0.6560017 0.1281896 -1.3420563), wk = 0.0030120 k( 271) = ( 0.6528180 0.1275675 -1.3134868), wk = 0.0030120 k( 272) = ( 0.6496343 0.1269454 -1.2849174), wk = 0.0030120 k( 273) = ( 0.6464506 0.1263233 -1.2563480), wk = 0.0030120 k( 274) = ( 0.6432669 0.1257011 -1.2277785), wk = 0.0030120 k( 275) = ( 0.6400832 0.1250790 -1.1992091), wk = 0.0030120 k( 276) = ( 0.6368995 0.1244569 -1.1706396), wk = 0.0030120 k( 277) = ( 0.6337158 0.1238347 -1.1420702), wk = 0.0030120 k( 278) = ( 0.6305321 0.1232126 -1.1135008), wk = 0.0030120 k( 279) = ( 0.6273484 0.1225905 -1.0849313), wk = 0.0030120 k( 280) = ( 0.6241646 0.1219683 -1.0563619), wk = 0.0030120 k( 281) = ( 0.6209809 0.1213462 -1.0277924), wk = 0.0030120 k( 282) = ( 0.6177972 0.1207241 -0.9992230), wk = 0.0030120 k( 283) = ( 0.6146135 0.1201020 -0.9706535), wk = 0.0030120 k( 284) = ( 0.6114298 0.1194798 -0.9420841), wk = 0.0030120 k( 285) = ( 0.6082461 0.1188577 -0.9135147), wk = 0.0030120 k( 286) = ( 0.6050624 0.1182356 -0.8849452), wk = 0.0030120 k( 287) = ( 0.6018787 0.1176134 -0.8563758), wk = 0.0030120 k( 288) = ( 0.5986950 0.1169913 -0.8278063), wk = 0.0030120 k( 289) = ( 0.5955113 0.1163692 -0.7992369), wk = 0.0030120 k( 290) = ( 0.5923276 0.1157470 -0.7706674), wk = 0.0030120 k( 291) = ( 0.5891439 0.1151249 -0.7420980), wk = 0.0030120 k( 292) = ( 0.5859601 0.1145028 -0.7135285), wk = 0.0030120 k( 293) = ( 0.5827764 0.1138807 -0.6849591), wk = 0.0030120 k( 294) = ( 0.5795927 0.1132585 -0.6563897), wk = 0.0030120 k( 295) = ( 0.5764090 0.1126364 -0.6278202), wk = 0.0030120 k( 296) = ( 0.5732253 0.1120143 -0.5992508), wk = 0.0030120 k( 297) = ( 0.5700416 0.1113921 -0.5706813), wk = 0.0030120 k( 298) = ( 0.5668579 0.1107700 -0.5421119), wk = 0.0030120 k( 299) = ( 0.5636742 0.1101479 -0.5135424), wk = 0.0030120 k( 300) = ( 0.5604905 0.1095257 -0.4849730), wk = 0.0030120 k( 301) = ( 0.5573068 0.1089036 -0.4564035), wk = 0.0030120 k( 302) = ( 0.5541230 0.1082815 -0.4278341), wk = 0.0030120 k( 303) = ( 0.5509393 0.1076593 -0.3992647), wk = 0.0030120 k( 304) = ( 0.5477556 0.1070372 -0.3706952), wk = 0.0030120 k( 305) = ( 0.5445719 0.1064151 -0.3421258), wk = 0.0030120 k( 306) = ( 0.5413882 0.1057930 -0.3135563), wk = 0.0030120 k( 307) = ( 0.5382045 0.1051708 -0.2849869), wk = 0.0030120 k( 308) = ( 0.5350208 0.1045487 -0.2564175), wk = 0.0030120 k( 309) = ( 0.5318371 0.1039266 -0.2278480), wk = 0.0030120 k( 310) = ( 0.5286534 0.1033044 -0.1992786), wk = 0.0030120 k( 311) = ( 0.5254697 0.1026823 -0.1707091), wk = 0.0030120 k( 312) = ( 0.5222860 0.1020602 -0.1421397), wk = 0.0030120 k( 313) = ( 0.5191022 0.1014380 -0.1135702), wk = 0.0030120 k( 314) = ( 0.5159185 0.1008159 -0.0850008), wk = 0.0030120 k( 315) = ( 0.5127348 0.1001938 -0.0564314), wk = 0.0030120 k( 316) = ( 0.5095511 0.0995717 -0.0278619), wk = 0.0030120 k( 317) = ( 0.5063674 0.0989495 0.0007075), wk = 0.0030120 k( 318) = ( 0.5031837 0.0983274 0.0292770), wk = 0.0030120 k( 319) = ( 0.5000000 0.0977053 0.0578464), wk = 0.0030120 k( 320) = ( 0.5000000 -1.2305052 -0.7285208), wk = 0.0030120 k( 321) = ( 0.5270615 -1.2223632 -0.7237003), wk = 0.0030120 k( 322) = ( 0.5541230 -1.2142210 -0.7188797), wk = 0.0030120 k( 323) = ( 0.5811846 -1.2060789 -0.7140592), wk = 0.0030120 k( 324) = ( 0.6082461 -1.1979368 -0.7092387), wk = 0.0030120 k( 325) = ( 0.6353076 -1.1897947 -0.7044181), wk = 0.0030120 k( 326) = ( 0.6623692 -1.1816526 -0.6995976), wk = 0.0030120 k( 327) = ( 0.6894307 -1.1735105 -0.6947771), wk = 0.0030120 k( 328) = ( 0.7164922 -1.1653684 -0.6899565), wk = 0.0030120 k( 329) = ( 0.7435537 -1.1572263 -0.6851360), wk = 0.0030120 k( 330) = ( 0.7706153 -1.1490842 -0.6803154), wk = 0.0030120 k( 331) = ( 0.7976768 -1.1409421 -0.6754949), wk = 0.0030120 k( 332) = ( 0.8247383 -1.1328000 -0.6706744), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0094340 -0.0000000 0.0000000), wk = 0.0030120 k( 3) = ( 0.0188679 -0.0000000 0.0000000), wk = 0.0030120 k( 4) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0471698 -0.0000000 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0566038 -0.0000000 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0660377 -0.0000000 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0030120 k( 10) = ( 0.0849057 -0.0000000 -0.0000000), wk = 0.0030120 k( 11) = ( 0.0943396 -0.0000000 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1037736 -0.0000000 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1132076 -0.0000000 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1226415 -0.0000000 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0030120 k( 16) = ( 0.1415094 -0.0000000 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1603774 -0.0000000 -0.0000000), wk = 0.0030120 k( 19) = ( 0.1698113 -0.0000000 -0.0000000), wk = 0.0030120 k( 20) = ( 0.1792453 -0.0000000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.1886792 -0.0000000 -0.0000000), wk = 0.0030120 k( 22) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0030120 k( 24) = ( 0.2169811 -0.0000000 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2264151 -0.0000000 -0.0000000), wk = 0.0030120 k( 26) = ( 0.2358491 -0.0000000 -0.0000000), wk = 0.0030120 k( 27) = ( 0.2452830 -0.0000000 -0.0000000), wk = 0.0030120 k( 28) = ( 0.2547170 -0.0000000 -0.0000000), wk = 0.0030120 k( 29) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0030120 k( 30) = ( 0.2735849 -0.0000000 -0.0000000), wk = 0.0030120 k( 31) = ( 0.2830189 -0.0000000 -0.0000000), wk = 0.0030120 k( 32) = ( 0.2924528 -0.0000000 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3018868 -0.0000000 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0030120 k( 35) = ( 0.3207547 -0.0000000 -0.0000000), wk = 0.0030120 k( 36) = ( 0.3301887 -0.0000000 -0.0000000), wk = 0.0030120 k( 37) = ( 0.3396226 -0.0000000 -0.0000000), wk = 0.0030120 k( 38) = ( 0.3490566 -0.0000000 -0.0000000), wk = 0.0030120 k( 39) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0030120 k( 40) = ( 0.3679245 -0.0000000 -0.0000000), wk = 0.0030120 k( 41) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0030120 k( 42) = ( 0.3867925 -0.0000000 -0.0000000), wk = 0.0030120 k( 43) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0030120 k( 44) = ( 0.4056604 -0.0000000 -0.0000000), wk = 0.0030120 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0030120 k( 46) = ( 0.4245283 -0.0000000 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4339623 -0.0000000 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0030120 k( 49) = ( 0.4528302 -0.0000000 -0.0000000), wk = 0.0030120 k( 50) = ( 0.4622641 -0.0000000 -0.0000000), wk = 0.0030120 k( 51) = ( 0.4716981 -0.0000000 -0.0000000), wk = 0.0030120 k( 52) = ( 0.4811321 -0.0000000 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4905660 -0.0000000 -0.0000000), wk = 0.0030120 k( 54) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 56) = ( 0.5000000 0.0054769 -0.0054769), wk = 0.0030120 k( 57) = ( 0.5000000 0.0109539 -0.0109539), wk = 0.0030120 k( 58) = ( 0.5000000 0.0164308 -0.0164308), wk = 0.0030120 k( 59) = ( 0.5000000 0.0219077 -0.0219077), wk = 0.0030120 k( 60) = ( 0.5000000 0.0273846 -0.0273846), wk = 0.0030120 k( 61) = ( 0.5000000 0.0328616 -0.0328616), wk = 0.0030120 k( 62) = ( 0.5000000 0.0383385 -0.0383385), wk = 0.0030120 k( 63) = ( 0.5000000 0.0438154 -0.0438154), wk = 0.0030120 k( 64) = ( 0.5000000 0.0492923 -0.0492924), wk = 0.0030120 k( 65) = ( 0.5000000 0.0547693 -0.0547693), wk = 0.0030120 k( 66) = ( 0.5000000 0.0602462 -0.0602462), wk = 0.0030120 k( 67) = ( 0.5000000 0.0657231 -0.0657231), wk = 0.0030120 k( 68) = ( 0.5000000 0.0712001 -0.0712001), wk = 0.0030120 k( 69) = ( 0.5000000 0.0766770 -0.0766770), wk = 0.0030120 k( 70) = ( 0.5000000 0.0821539 -0.0821539), wk = 0.0030120 k( 71) = ( 0.5000000 0.0876308 -0.0876308), wk = 0.0030120 k( 72) = ( 0.5000000 0.0931078 -0.0931078), wk = 0.0030120 k( 73) = ( 0.5000000 0.0985847 -0.0985847), wk = 0.0030120 k( 74) = ( 0.5000000 0.1040616 -0.1040616), wk = 0.0030120 k( 75) = ( 0.5000000 0.1095385 -0.1095385), wk = 0.0030120 k( 76) = ( 0.5000000 0.1150155 -0.1150155), wk = 0.0030120 k( 77) = ( 0.5000000 0.1204924 -0.1204924), wk = 0.0030120 k( 78) = ( 0.5000000 0.1259693 -0.1259693), wk = 0.0030120 k( 79) = ( 0.5000000 0.1314463 -0.1314463), wk = 0.0030120 k( 80) = ( 0.5000000 0.1369232 -0.1369232), wk = 0.0030120 k( 81) = ( 0.5000000 0.1424001 -0.1424001), wk = 0.0030120 k( 82) = ( 0.5000000 0.1478770 -0.1478771), wk = 0.0030120 k( 83) = ( 0.5000000 0.1533540 -0.1533540), wk = 0.0030120 k( 84) = ( 0.5000000 0.1588309 -0.1588309), wk = 0.0030120 k( 85) = ( 0.5000000 0.1643078 -0.1643078), wk = 0.0030120 k( 86) = ( 0.5000000 0.1697848 -0.1697848), wk = 0.0030120 k( 87) = ( 0.5000000 0.1752617 -0.1752617), wk = 0.0030120 k( 88) = ( 0.8247383 0.5000000 0.1752617), wk = 0.0030120 k( 89) = ( 0.8192343 0.5000000 0.1807657), wk = 0.0030120 k( 90) = ( 0.8137302 0.5000000 0.1862698), wk = 0.0030120 k( 91) = ( 0.8082262 0.5000000 0.1917738), wk = 0.0030120 k( 92) = ( 0.8027222 0.5000000 0.1972778), wk = 0.0030120 k( 93) = ( 0.7972181 0.5000000 0.2027819), wk = 0.0030120 k( 94) = ( 0.7917141 0.5000000 0.2082859), wk = 0.0030120 k( 95) = ( 0.7862100 0.5000000 0.2137900), wk = 0.0030120 k( 96) = ( 0.7807060 0.5000000 0.2192940), wk = 0.0030120 k( 97) = ( 0.7752020 0.5000000 0.2247980), wk = 0.0030120 k( 98) = ( 0.7696979 0.5000000 0.2303021), wk = 0.0030120 k( 99) = ( 0.7641939 0.5000000 0.2358061), wk = 0.0030120 k( 100) = ( 0.7586898 0.5000000 0.2413102), wk = 0.0030120 k( 101) = ( 0.7531858 0.5000000 0.2468142), wk = 0.0030120 k( 102) = ( 0.7476818 0.5000000 0.2523182), wk = 0.0030120 k( 103) = ( 0.7421777 0.5000000 0.2578223), wk = 0.0030120 k( 104) = ( 0.7366737 0.5000000 0.2633263), wk = 0.0030120 k( 105) = ( 0.7311697 0.5000000 0.2688303), wk = 0.0030120 k( 106) = ( 0.7256656 0.5000000 0.2743344), wk = 0.0030120 k( 107) = ( 0.7201616 0.5000000 0.2798384), wk = 0.0030120 k( 108) = ( 0.7146575 0.5000000 0.2853425), wk = 0.0030120 k( 109) = ( 0.7091535 0.5000000 0.2908465), wk = 0.0030120 k( 110) = ( 0.7036495 0.5000000 0.2963505), wk = 0.0030120 k( 111) = ( 0.6981454 0.5000000 0.3018546), wk = 0.0030120 k( 112) = ( 0.6926414 0.5000000 0.3073586), wk = 0.0030120 k( 113) = ( 0.6871373 0.5000000 0.3128627), wk = 0.0030120 k( 114) = ( 0.6816333 0.5000000 0.3183667), wk = 0.0030120 k( 115) = ( 0.6761293 0.5000000 0.3238707), wk = 0.0030120 k( 116) = ( 0.6706252 0.5000000 0.3293748), wk = 0.0030120 k( 117) = ( 0.6651212 0.5000000 0.3348788), wk = 0.0030120 k( 118) = ( 0.6596171 0.5000000 0.3403829), wk = 0.0030120 k( 119) = ( 0.6541131 0.5000000 0.3458869), wk = 0.0030120 k( 120) = ( 0.6486091 0.5000000 0.3513909), wk = 0.0030120 k( 121) = ( 0.6431050 0.5000000 0.3568950), wk = 0.0030120 k( 122) = ( 0.6376010 0.5000000 0.3623990), wk = 0.0030120 k( 123) = ( 0.6320969 0.5000000 0.3679031), wk = 0.0030120 k( 124) = ( 0.6265929 0.5000000 0.3734071), wk = 0.0030120 k( 125) = ( 0.6210889 0.5000000 0.3789111), wk = 0.0030120 k( 126) = ( 0.6155848 0.5000000 0.3844152), wk = 0.0030120 k( 127) = ( 0.6100808 0.5000000 0.3899192), wk = 0.0030120 k( 128) = ( 0.6045767 0.5000000 0.3954232), wk = 0.0030120 k( 129) = ( 0.5990727 0.5000000 0.4009273), wk = 0.0030120 k( 130) = ( 0.5935687 0.5000000 0.4064313), wk = 0.0030120 k( 131) = ( 0.5880646 0.5000000 0.4119354), wk = 0.0030120 k( 132) = ( 0.5825606 0.5000000 0.4174394), wk = 0.0030120 k( 133) = ( 0.5770566 0.5000000 0.4229434), wk = 0.0030120 k( 134) = ( 0.5715525 0.5000000 0.4284475), wk = 0.0030120 k( 135) = ( 0.5660485 0.5000000 0.4339515), wk = 0.0030120 k( 136) = ( 0.5605444 0.5000000 0.4394556), wk = 0.0030120 k( 137) = ( 0.5550404 0.5000000 0.4449596), wk = 0.0030120 k( 138) = ( 0.5495364 0.5000000 0.4504636), wk = 0.0030120 k( 139) = ( 0.5440323 0.5000000 0.4559677), wk = 0.0030120 k( 140) = ( 0.5385283 0.5000000 0.4614717), wk = 0.0030120 k( 141) = ( 0.5330242 0.5000000 0.4669758), wk = 0.0030120 k( 142) = ( 0.5275202 0.5000000 0.4724798), wk = 0.0030120 k( 143) = ( 0.5220162 0.5000000 0.4779838), wk = 0.0030120 k( 144) = ( 0.5165121 0.5000000 0.4834879), wk = 0.0030120 k( 145) = ( 0.5110081 0.5000000 0.4889919), wk = 0.0030120 k( 146) = ( 0.5055040 0.5000000 0.4944960), wk = 0.0030120 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 149) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0030120 k( 150) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0030120 k( 151) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030120 k( 152) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0030120 k( 153) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0030120 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030120 k( 155) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0030120 k( 156) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0030120 k( 157) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 158) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0030120 k( 159) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0030120 k( 160) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030120 k( 161) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0030120 k( 162) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0030120 k( 163) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030120 k( 164) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0030120 k( 165) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0030120 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 168) = ( 0.0055349 -0.0000000 -0.0055349), wk = 0.0030120 k( 169) = ( 0.0110699 -0.0000000 -0.0110699), wk = 0.0030120 k( 170) = ( 0.0166048 -0.0000000 -0.0166048), wk = 0.0030120 k( 171) = ( 0.0221397 -0.0000000 -0.0221397), wk = 0.0030120 k( 172) = ( 0.0276747 -0.0000000 -0.0276747), wk = 0.0030120 k( 173) = ( 0.0332096 -0.0000000 -0.0332096), wk = 0.0030120 k( 174) = ( 0.0387445 -0.0000000 -0.0387445), wk = 0.0030120 k( 175) = ( 0.0442794 -0.0000000 -0.0442794), wk = 0.0030120 k( 176) = ( 0.0498144 -0.0000000 -0.0498144), wk = 0.0030120 k( 177) = ( 0.0553493 -0.0000000 -0.0553493), wk = 0.0030120 k( 178) = ( 0.0608843 -0.0000000 -0.0608843), wk = 0.0030120 k( 179) = ( 0.0664192 -0.0000000 -0.0664192), wk = 0.0030120 k( 180) = ( 0.0719541 -0.0000000 -0.0719541), wk = 0.0030120 k( 181) = ( 0.0774891 -0.0000000 -0.0774891), wk = 0.0030120 k( 182) = ( 0.0830240 -0.0000000 -0.0830240), wk = 0.0030120 k( 183) = ( 0.0885589 -0.0000000 -0.0885589), wk = 0.0030120 k( 184) = ( 0.0940938 -0.0000000 -0.0940938), wk = 0.0030120 k( 185) = ( 0.0996288 -0.0000000 -0.0996288), wk = 0.0030120 k( 186) = ( 0.1051637 -0.0000000 -0.1051637), wk = 0.0030120 k( 187) = ( 0.1106986 -0.0000000 -0.1106986), wk = 0.0030120 k( 188) = ( 0.1162336 -0.0000000 -0.1162336), wk = 0.0030120 k( 189) = ( 0.1217685 -0.0000000 -0.1217685), wk = 0.0030120 k( 190) = ( 0.1273034 -0.0000000 -0.1273034), wk = 0.0030120 k( 191) = ( 0.1328384 -0.0000000 -0.1328384), wk = 0.0030120 k( 192) = ( 0.1383733 -0.0000000 -0.1383733), wk = 0.0030120 k( 193) = ( 0.1439082 -0.0000000 -0.1439082), wk = 0.0030120 k( 194) = ( 0.1494432 -0.0000000 -0.1494432), wk = 0.0030120 k( 195) = ( 0.1549781 -0.0000000 -0.1549781), wk = 0.0030120 k( 196) = ( 0.1605130 -0.0000000 -0.1605130), wk = 0.0030120 k( 197) = ( 0.1660480 -0.0000000 -0.1660480), wk = 0.0030120 k( 198) = ( 0.1715829 -0.0000000 -0.1715829), wk = 0.0030120 k( 199) = ( 0.1771178 -0.0000000 -0.1771178), wk = 0.0030120 k( 200) = ( 0.1826528 -0.0000000 -0.1826528), wk = 0.0030120 k( 201) = ( 0.1881877 -0.0000000 -0.1881877), wk = 0.0030120 k( 202) = ( 0.1937226 -0.0000000 -0.1937226), wk = 0.0030120 k( 203) = ( 0.1992576 -0.0000000 -0.1992576), wk = 0.0030120 k( 204) = ( 0.2047925 -0.0000000 -0.2047925), wk = 0.0030120 k( 205) = ( 0.2103274 -0.0000000 -0.2103274), wk = 0.0030120 k( 206) = ( 0.2158623 -0.0000000 -0.2158623), wk = 0.0030120 k( 207) = ( 0.2213973 -0.0000000 -0.2213973), wk = 0.0030120 k( 208) = ( 0.2269322 -0.0000000 -0.2269322), wk = 0.0030120 k( 209) = ( 0.2324671 -0.0000000 -0.2324671), wk = 0.0030120 k( 210) = ( 0.2380021 -0.0000000 -0.2380021), wk = 0.0030120 k( 211) = ( 0.2435370 -0.0000000 -0.2435370), wk = 0.0030120 k( 212) = ( 0.2490719 -0.0000000 -0.2490719), wk = 0.0030120 k( 213) = ( 0.2546069 -0.0000000 -0.2546069), wk = 0.0030120 k( 214) = ( 0.2601418 -0.0000000 -0.2601418), wk = 0.0030120 k( 215) = ( 0.2656767 -0.0000000 -0.2656767), wk = 0.0030120 k( 216) = ( 0.2712117 -0.0000000 -0.2712117), wk = 0.0030120 k( 217) = ( 0.2767466 -0.0000000 -0.2767466), wk = 0.0030120 k( 218) = ( 0.2822815 -0.0000000 -0.2822815), wk = 0.0030120 k( 219) = ( 0.2878165 -0.0000000 -0.2878165), wk = 0.0030120 k( 220) = ( 0.2933514 -0.0000000 -0.2933514), wk = 0.0030120 k( 221) = ( 0.2988863 -0.0000000 -0.2988863), wk = 0.0030120 k( 222) = ( 0.3044212 -0.0000000 -0.3044212), wk = 0.0030120 k( 223) = ( 0.3099562 -0.0000000 -0.3099562), wk = 0.0030120 k( 224) = ( 0.3154911 -0.0000000 -0.3154911), wk = 0.0030120 k( 225) = ( 0.3210261 -0.0000000 -0.3210261), wk = 0.0030120 k( 226) = ( 0.3265610 -0.0000000 -0.3265610), wk = 0.0030120 k( 227) = ( 0.3320959 -0.0000000 -0.3320959), wk = 0.0030120 k( 228) = ( 0.3376308 -0.0000000 -0.3376308), wk = 0.0030120 k( 229) = ( 0.6623692 0.3376308 -0.0000000), wk = 0.0030120 k( 230) = ( 0.6569569 0.3430431 -0.0000000), wk = 0.0030120 k( 231) = ( 0.6515446 0.3484554 -0.0000000), wk = 0.0030120 k( 232) = ( 0.6461322 0.3538678 -0.0000000), wk = 0.0030120 k( 233) = ( 0.6407199 0.3592801 -0.0000000), wk = 0.0030120 k( 234) = ( 0.6353076 0.3646924 -0.0000000), wk = 0.0030120 k( 235) = ( 0.6298953 0.3701047 -0.0000000), wk = 0.0030120 k( 236) = ( 0.6244830 0.3755170 -0.0000000), wk = 0.0030120 k( 237) = ( 0.6190707 0.3809293 -0.0000000), wk = 0.0030120 k( 238) = ( 0.6136584 0.3863416 -0.0000000), wk = 0.0030120 k( 239) = ( 0.6082461 0.3917539 -0.0000000), wk = 0.0030120 k( 240) = ( 0.6028338 0.3971662 -0.0000000), wk = 0.0030120 k( 241) = ( 0.5974215 0.4025785 -0.0000000), wk = 0.0030120 k( 242) = ( 0.5920092 0.4079908 -0.0000000), wk = 0.0030120 k( 243) = ( 0.5865969 0.4134031 -0.0000000), wk = 0.0030120 k( 244) = ( 0.5811846 0.4188154 -0.0000000), wk = 0.0030120 k( 245) = ( 0.5757723 0.4242277 -0.0000000), wk = 0.0030120 k( 246) = ( 0.5703600 0.4296400 -0.0000000), wk = 0.0030120 k( 247) = ( 0.5649477 0.4350523 -0.0000000), wk = 0.0030120 k( 248) = ( 0.5595354 0.4404646 -0.0000000), wk = 0.0030120 k( 249) = ( 0.5541230 0.4458769 -0.0000000), wk = 0.0030120 k( 250) = ( 0.5487108 0.4512892 -0.0000000), wk = 0.0030120 k( 251) = ( 0.5432984 0.4567016 -0.0000000), wk = 0.0030120 k( 252) = ( 0.5378861 0.4621139 -0.0000000), wk = 0.0030120 k( 253) = ( 0.5324738 0.4675262 -0.0000000), wk = 0.0030120 k( 254) = ( 0.5270615 0.4729385 -0.0000000), wk = 0.0030120 k( 255) = ( 0.5216492 0.4783508 -0.0000000), wk = 0.0030120 k( 256) = ( 0.5162369 0.4837631 -0.0000000), wk = 0.0030120 k( 257) = ( 0.5108246 0.4891754 -0.0000000), wk = 0.0030120 k( 258) = ( 0.5054123 0.4945877 -0.0000000), wk = 0.0030120 k( 259) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 260) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 261) = ( 0.5231956 0.5231956 0.0250374), wk = 0.0030120 k( 262) = ( 0.5463912 0.5463912 0.0500748), wk = 0.0030120 k( 263) = ( 0.5695868 0.5695868 0.0751122), wk = 0.0030120 k( 264) = ( 0.5927824 0.5927824 0.1001495), wk = 0.0030120 k( 265) = ( 0.6159780 0.6159780 0.1251869), wk = 0.0030120 k( 266) = ( 0.6391736 0.6391736 0.1502243), wk = 0.0030120 k( 267) = ( 0.6623692 0.6623692 0.1752617), wk = 0.0030120 k( 268) = ( 0.6623692 0.6623692 0.1752617), wk = 0.0030120 k( 269) = ( 0.6591854 0.6591854 0.1816291), wk = 0.0030120 k( 270) = ( 0.6560017 0.6560017 0.1879965), wk = 0.0030120 k( 271) = ( 0.6528180 0.6528180 0.1943639), wk = 0.0030120 k( 272) = ( 0.6496343 0.6496343 0.2007314), wk = 0.0030120 k( 273) = ( 0.6464506 0.6464506 0.2070988), wk = 0.0030120 k( 274) = ( 0.6432669 0.6432669 0.2134662), wk = 0.0030120 k( 275) = ( 0.6400832 0.6400832 0.2198336), wk = 0.0030120 k( 276) = ( 0.6368995 0.6368995 0.2262010), wk = 0.0030120 k( 277) = ( 0.6337158 0.6337158 0.2325684), wk = 0.0030120 k( 278) = ( 0.6305321 0.6305321 0.2389359), wk = 0.0030120 k( 279) = ( 0.6273484 0.6273484 0.2453033), wk = 0.0030120 k( 280) = ( 0.6241646 0.6241646 0.2516707), wk = 0.0030120 k( 281) = ( 0.6209809 0.6209809 0.2580381), wk = 0.0030120 k( 282) = ( 0.6177972 0.6177972 0.2644055), wk = 0.0030120 k( 283) = ( 0.6146135 0.6146135 0.2707729), wk = 0.0030120 k( 284) = ( 0.6114298 0.6114298 0.2771404), wk = 0.0030120 k( 285) = ( 0.6082461 0.6082461 0.2835078), wk = 0.0030120 k( 286) = ( 0.6050624 0.6050624 0.2898752), wk = 0.0030120 k( 287) = ( 0.6018787 0.6018787 0.2962426), wk = 0.0030120 k( 288) = ( 0.5986950 0.5986950 0.3026100), wk = 0.0030120 k( 289) = ( 0.5955113 0.5955113 0.3089775), wk = 0.0030120 k( 290) = ( 0.5923276 0.5923276 0.3153449), wk = 0.0030120 k( 291) = ( 0.5891439 0.5891439 0.3217123), wk = 0.0030120 k( 292) = ( 0.5859601 0.5859601 0.3280797), wk = 0.0030120 k( 293) = ( 0.5827764 0.5827764 0.3344471), wk = 0.0030120 k( 294) = ( 0.5795927 0.5795927 0.3408145), wk = 0.0030120 k( 295) = ( 0.5764090 0.5764090 0.3471820), wk = 0.0030120 k( 296) = ( 0.5732253 0.5732253 0.3535494), wk = 0.0030120 k( 297) = ( 0.5700416 0.5700416 0.3599168), wk = 0.0030120 k( 298) = ( 0.5668579 0.5668579 0.3662842), wk = 0.0030120 k( 299) = ( 0.5636742 0.5636742 0.3726516), wk = 0.0030120 k( 300) = ( 0.5604905 0.5604905 0.3790191), wk = 0.0030120 k( 301) = ( 0.5573068 0.5573068 0.3853865), wk = 0.0030120 k( 302) = ( 0.5541230 0.5541230 0.3917539), wk = 0.0030120 k( 303) = ( 0.5509393 0.5509393 0.3981213), wk = 0.0030120 k( 304) = ( 0.5477556 0.5477556 0.4044887), wk = 0.0030120 k( 305) = ( 0.5445719 0.5445719 0.4108562), wk = 0.0030120 k( 306) = ( 0.5413882 0.5413882 0.4172236), wk = 0.0030120 k( 307) = ( 0.5382045 0.5382045 0.4235910), wk = 0.0030120 k( 308) = ( 0.5350208 0.5350208 0.4299584), wk = 0.0030120 k( 309) = ( 0.5318371 0.5318371 0.4363258), wk = 0.0030120 k( 310) = ( 0.5286534 0.5286534 0.4426932), wk = 0.0030120 k( 311) = ( 0.5254697 0.5254697 0.4490607), wk = 0.0030120 k( 312) = ( 0.5222860 0.5222860 0.4554281), wk = 0.0030120 k( 313) = ( 0.5191022 0.5191022 0.4617955), wk = 0.0030120 k( 314) = ( 0.5159185 0.5159185 0.4681629), wk = 0.0030120 k( 315) = ( 0.5127348 0.5127348 0.4745303), wk = 0.0030120 k( 316) = ( 0.5095511 0.5095511 0.4808978), wk = 0.0030120 k( 317) = ( 0.5063674 0.5063674 0.4872652), wk = 0.0030120 k( 318) = ( 0.5031837 0.5031837 0.4936326), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 320) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 321) = ( 0.5270615 0.0281359 0.0281359), wk = 0.0030120 k( 322) = ( 0.5541230 0.0562718 0.0562718), wk = 0.0030120 k( 323) = ( 0.5811846 0.0844077 0.0844077), wk = 0.0030120 k( 324) = ( 0.6082461 0.1125436 0.1125436), wk = 0.0030120 k( 325) = ( 0.6353076 0.1406795 0.1406795), wk = 0.0030120 k( 326) = ( 0.6623692 0.1688154 0.1688154), wk = 0.0030120 k( 327) = ( 0.6894307 0.1969513 0.1969513), wk = 0.0030120 k( 328) = ( 0.7164922 0.2250872 0.2250872), wk = 0.0030120 k( 329) = ( 0.7435537 0.2532231 0.2532231), wk = 0.0030120 k( 330) = ( 0.7706153 0.2813590 0.2813590), wk = 0.0030120 k( 331) = ( 0.7976768 0.3094949 0.3094949), wk = 0.0030120 k( 332) = ( 0.8247383 0.3376308 0.3376308), wk = 0.0030120 Dense grid: 85067 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 30711 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 210, 46) NL pseudopotentials 0.22 Mb ( 105, 140) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.02 Mb ( 2364) G-vector shells 0.02 Mb ( 1970) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 210, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.20 Mb ( 140, 2, 46) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./ScHCl.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.9 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 13.4 secs Computing kpt #: 9 total cpu time spent up to now is 14.9 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.9 secs Computing kpt #: 12 total cpu time spent up to now is 19.7 secs Computing kpt #: 13 total cpu time spent up to now is 21.5 secs Computing kpt #: 14 total cpu time spent up to now is 23.3 secs Computing kpt #: 15 total cpu time spent up to now is 25.2 secs Computing kpt #: 16 total cpu time spent up to now is 27.1 secs Computing kpt #: 17 total cpu time spent up to now is 28.9 secs Computing kpt #: 18 total cpu time spent up to now is 30.6 secs Computing kpt #: 19 total cpu time spent up to now is 32.2 secs Computing kpt #: 20 total cpu time spent up to now is 34.1 secs Computing kpt #: 21 total cpu time spent up to now is 35.6 secs Computing kpt #: 22 total cpu time spent up to now is 37.5 secs Computing kpt #: 23 total cpu time spent up to now is 39.5 secs Computing kpt #: 24 total cpu time spent up to now is 41.4 secs Computing kpt #: 25 total cpu time spent up to now is 43.4 secs Computing kpt #: 26 total cpu time spent up to now is 45.3 secs Computing kpt #: 27 total cpu time spent up to now is 46.8 secs Computing kpt #: 28 total cpu time spent up to now is 48.3 secs Computing kpt #: 29 total cpu time spent up to now is 49.8 secs Computing kpt #: 30 total cpu time spent up to now is 51.4 secs Computing kpt #: 31 total cpu time spent up to now is 53.0 secs Computing kpt #: 32 total cpu time spent up to now is 54.9 secs Computing kpt #: 33 total cpu time spent up to now is 56.5 secs Computing kpt #: 34 total cpu time spent up to now is 58.0 secs Computing kpt #: 35 total cpu time spent up to now is 60.1 secs Computing kpt #: 36 total cpu time spent up to now is 62.4 secs Computing kpt #: 37 total cpu time spent up to now is 65.2 secs Computing kpt #: 38 total cpu time spent up to now is 67.5 secs Computing kpt #: 39 total cpu time spent up to now is 69.8 secs Computing kpt #: 40 total cpu time spent up to now is 71.8 secs Computing kpt #: 41 total cpu time spent up to now is 73.9 secs Computing kpt #: 42 total cpu time spent up to now is 76.2 secs Computing kpt #: 43 total cpu time spent up to now is 78.2 secs Computing kpt #: 44 total cpu time spent up to now is 80.4 secs Computing kpt #: 45 total cpu time spent up to now is 82.7 secs Computing kpt #: 46 total cpu time spent up to now is 85.4 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.5 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.7 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.9 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.0 secs Computing kpt #: 51 total cpu time spent up to now is 100.9 secs Computing kpt #: 52 total cpu time spent up to now is 103.5 secs Computing kpt #: 53 total cpu time spent up to now is 105.7 secs Computing kpt #: 54 total cpu time spent up to now is 107.9 secs Computing kpt #: 55 total cpu time spent up to now is 109.8 secs Computing kpt #: 56 total cpu time spent up to now is 111.7 secs Computing kpt #: 57 total cpu time spent up to now is 113.9 secs Computing kpt #: 58 total cpu time spent up to now is 115.8 secs Computing kpt #: 59 total cpu time spent up to now is 117.7 secs Computing kpt #: 60 total cpu time spent up to now is 119.6 secs Computing kpt #: 61 total cpu time spent up to now is 121.5 secs Computing kpt #: 62 total cpu time spent up to now is 123.7 secs Computing kpt #: 63 total cpu time spent up to now is 125.6 secs Computing kpt #: 64 total cpu time spent up to now is 127.3 secs Computing kpt #: 65 total cpu time spent up to now is 129.2 secs Computing kpt #: 66 total cpu time spent up to now is 131.4 secs Computing kpt #: 67 total cpu time spent up to now is 133.0 secs Computing kpt #: 68 total cpu time spent up to now is 134.9 secs Computing kpt #: 69 total cpu time spent up to now is 136.8 secs Computing kpt #: 70 total cpu time spent up to now is 138.7 secs Computing kpt #: 71 total cpu time spent up to now is 140.6 secs Computing kpt #: 72 total cpu time spent up to now is 142.3 secs Computing kpt #: 73 total cpu time spent up to now is 143.9 secs Computing kpt #: 74 total cpu time spent up to now is 145.5 secs Computing kpt #: 75 total cpu time spent up to now is 147.5 secs Computing kpt #: 76 total cpu time spent up to now is 149.5 secs Computing kpt #: 77 total cpu time spent up to now is 151.1 secs Computing kpt #: 78 total cpu time spent up to now is 153.1 secs Computing kpt #: 79 total cpu time spent up to now is 154.7 secs Computing kpt #: 80 total cpu time spent up to now is 156.7 secs Computing kpt #: 81 total cpu time spent up to now is 158.7 secs Computing kpt #: 82 total cpu time spent up to now is 161.0 secs Computing kpt #: 83 total cpu time spent up to now is 162.7 secs Computing kpt #: 84 total cpu time spent up to now is 164.7 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.7 secs Computing kpt #: 86 total cpu time spent up to now is 170.7 secs Computing kpt #: 87 total cpu time spent up to now is 173.1 secs Computing kpt #: 88 total cpu time spent up to now is 176.1 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.2 secs Computing kpt #: 90 total cpu time spent up to now is 181.2 secs Computing kpt #: 91 total cpu time spent up to now is 183.2 secs Computing kpt #: 92 total cpu time spent up to now is 185.2 secs Computing kpt #: 93 total cpu time spent up to now is 187.3 secs Computing kpt #: 94 total cpu time spent up to now is 189.2 secs Computing kpt #: 95 total cpu time spent up to now is 190.8 secs Computing kpt #: 96 total cpu time spent up to now is 192.4 secs Computing kpt #: 97 total cpu time spent up to now is 194.3 secs Computing kpt #: 98 total cpu time spent up to now is 196.2 secs Computing kpt #: 99 total cpu time spent up to now is 197.7 secs Computing kpt #: 100 total cpu time spent up to now is 199.4 secs Computing kpt #: 101 total cpu time spent up to now is 201.0 secs Computing kpt #: 102 total cpu time spent up to now is 202.7 secs Computing kpt #: 103 total cpu time spent up to now is 204.3 secs Computing kpt #: 104 total cpu time spent up to now is 205.9 secs Computing kpt #: 105 total cpu time spent up to now is 207.5 secs Computing kpt #: 106 total cpu time spent up to now is 209.0 secs Computing kpt #: 107 total cpu time spent up to now is 210.5 secs Computing kpt #: 108 total cpu time spent up to now is 212.0 secs Computing kpt #: 109 total cpu time spent up to now is 213.4 secs Computing kpt #: 110 total cpu time spent up to now is 214.9 secs Computing kpt #: 111 total cpu time spent up to now is 216.4 secs Computing kpt #: 112 total cpu time spent up to now is 217.9 secs Computing kpt #: 113 total cpu time spent up to now is 219.4 secs Computing kpt #: 114 total cpu time spent up to now is 220.8 secs Computing kpt #: 115 total cpu time spent up to now is 222.3 secs Computing kpt #: 116 total cpu time spent up to now is 223.8 secs Computing kpt #: 117 total cpu time spent up to now is 225.3 secs Computing kpt #: 118 total cpu time spent up to now is 226.7 secs Computing kpt #: 119 total cpu time spent up to now is 228.2 secs Computing kpt #: 120 total cpu time spent up to now is 229.7 secs Computing kpt #: 121 total cpu time spent up to now is 231.2 secs Computing kpt #: 122 total cpu time spent up to now is 232.7 secs Computing kpt #: 123 total cpu time spent up to now is 234.2 secs Computing kpt #: 124 total cpu time spent up to now is 235.7 secs Computing kpt #: 125 total cpu time spent up to now is 237.3 secs Computing kpt #: 126 total cpu time spent up to now is 238.8 secs Computing kpt #: 127 total cpu time spent up to now is 240.4 secs Computing kpt #: 128 total cpu time spent up to now is 242.0 secs Computing kpt #: 129 total cpu time spent up to now is 243.5 secs Computing kpt #: 130 total cpu time spent up to now is 245.0 secs Computing kpt #: 131 total cpu time spent up to now is 246.7 secs Computing kpt #: 132 total cpu time spent up to now is 248.3 secs Computing kpt #: 133 total cpu time spent up to now is 249.8 secs Computing kpt #: 134 total cpu time spent up to now is 251.2 secs Computing kpt #: 135 total cpu time spent up to now is 252.4 secs Computing kpt #: 136 total cpu time spent up to now is 253.8 secs Computing kpt #: 137 total cpu time spent up to now is 255.0 secs Computing kpt #: 138 total cpu time spent up to now is 256.2 secs Computing kpt #: 139 total cpu time spent up to now is 257.5 secs Computing kpt #: 140 total cpu time spent up to now is 258.7 secs Computing kpt #: 141 total cpu time spent up to now is 259.8 secs Computing kpt #: 142 total cpu time spent up to now is 261.0 secs Computing kpt #: 143 total cpu time spent up to now is 262.1 secs Computing kpt #: 144 total cpu time spent up to now is 263.2 secs Computing kpt #: 145 total cpu time spent up to now is 264.4 secs Computing kpt #: 146 total cpu time spent up to now is 265.5 secs Computing kpt #: 147 total cpu time spent up to now is 266.6 secs Computing kpt #: 148 total cpu time spent up to now is 267.8 secs Computing kpt #: 149 total cpu time spent up to now is 268.9 secs Computing kpt #: 150 total cpu time spent up to now is 270.0 secs Computing kpt #: 151 total cpu time spent up to now is 271.1 secs Computing kpt #: 152 total cpu time spent up to now is 272.3 secs Computing kpt #: 153 total cpu time spent up to now is 273.4 secs Computing kpt #: 154 total cpu time spent up to now is 274.6 secs Computing kpt #: 155 total cpu time spent up to now is 275.9 secs Computing kpt #: 156 total cpu time spent up to now is 277.2 secs Computing kpt #: 157 total cpu time spent up to now is 278.5 secs Computing kpt #: 158 total cpu time spent up to now is 279.7 secs Computing kpt #: 159 total cpu time spent up to now is 281.0 secs Computing kpt #: 160 total cpu time spent up to now is 282.2 secs Computing kpt #: 161 total cpu time spent up to now is 283.3 secs Computing kpt #: 162 total cpu time spent up to now is 284.5 secs Computing kpt #: 163 total cpu time spent up to now is 285.8 secs Computing kpt #: 164 total cpu time spent up to now is 287.1 secs Computing kpt #: 165 total cpu time spent up to now is 288.5 secs Computing kpt #: 166 total cpu time spent up to now is 290.0 secs Computing kpt #: 167 total cpu time spent up to now is 291.3 secs Computing kpt #: 168 total cpu time spent up to now is 292.6 secs Computing kpt #: 169 total cpu time spent up to now is 294.0 secs Computing kpt #: 170 total cpu time spent up to now is 295.4 secs Computing kpt #: 171 total cpu time spent up to now is 296.5 secs Computing kpt #: 172 total cpu time spent up to now is 297.7 secs Computing kpt #: 173 total cpu time spent up to now is 299.0 secs Computing kpt #: 174 total cpu time spent up to now is 300.5 secs Computing kpt #: 175 total cpu time spent up to now is 301.9 secs Computing kpt #: 176 total cpu time spent up to now is 303.4 secs Computing kpt #: 177 total cpu time spent up to now is 304.7 secs Computing kpt #: 178 total cpu time spent up to now is 306.3 secs Computing kpt #: 179 total cpu time spent up to now is 307.9 secs Computing kpt #: 180 total cpu time spent up to now is 309.5 secs Computing kpt #: 181 total cpu time spent up to now is 311.1 secs Computing kpt #: 182 total cpu time spent up to now is 312.7 secs Computing kpt #: 183 total cpu time spent up to now is 314.2 secs Computing kpt #: 184 total cpu time spent up to now is 315.7 secs Computing kpt #: 185 total cpu time spent up to now is 317.2 secs Computing kpt #: 186 total cpu time spent up to now is 318.7 secs Computing kpt #: 187 total cpu time spent up to now is 320.2 secs Computing kpt #: 188 total cpu time spent up to now is 321.7 secs Computing kpt #: 189 total cpu time spent up to now is 323.2 secs Computing kpt #: 190 total cpu time spent up to now is 324.7 secs Computing kpt #: 191 total cpu time spent up to now is 326.2 secs Computing kpt #: 192 total cpu time spent up to now is 327.7 secs Computing kpt #: 193 total cpu time spent up to now is 329.2 secs Computing kpt #: 194 total cpu time spent up to now is 330.7 secs Computing kpt #: 195 total cpu time spent up to now is 332.1 secs Computing kpt #: 196 total cpu time spent up to now is 333.6 secs Computing kpt #: 197 total cpu time spent up to now is 335.1 secs Computing kpt #: 198 total cpu time spent up to now is 336.6 secs Computing kpt #: 199 total cpu time spent up to now is 338.0 secs Computing kpt #: 200 total cpu time spent up to now is 339.5 secs Computing kpt #: 201 total cpu time spent up to now is 341.0 secs Computing kpt #: 202 total cpu time spent up to now is 342.4 secs Computing kpt #: 203 total cpu time spent up to now is 343.9 secs Computing kpt #: 204 total cpu time spent up to now is 345.4 secs Computing kpt #: 205 total cpu time spent up to now is 346.8 secs Computing kpt #: 206 total cpu time spent up to now is 348.3 secs Computing kpt #: 207 total cpu time spent up to now is 349.8 secs Computing kpt #: 208 total cpu time spent up to now is 351.2 secs Computing kpt #: 209 total cpu time spent up to now is 352.7 secs Computing kpt #: 210 total cpu time spent up to now is 354.2 secs Computing kpt #: 211 total cpu time spent up to now is 355.6 secs Computing kpt #: 212 total cpu time spent up to now is 357.1 secs Computing kpt #: 213 total cpu time spent up to now is 358.6 secs Computing kpt #: 214 total cpu time spent up to now is 360.1 secs Computing kpt #: 215 total cpu time spent up to now is 361.6 secs Computing kpt #: 216 total cpu time spent up to now is 363.1 secs Computing kpt #: 217 total cpu time spent up to now is 364.8 secs Computing kpt #: 218 total cpu time spent up to now is 366.6 secs Computing kpt #: 219 total cpu time spent up to now is 368.2 secs Computing kpt #: 220 total cpu time spent up to now is 369.8 secs Computing kpt #: 221 total cpu time spent up to now is 371.4 secs Computing kpt #: 222 total cpu time spent up to now is 373.2 secs Computing kpt #: 223 total cpu time spent up to now is 374.8 secs Computing kpt #: 224 total cpu time spent up to now is 376.4 secs Computing kpt #: 225 total cpu time spent up to now is 378.4 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.6 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.7 secs Computing kpt #: 228 total cpu time spent up to now is 387.7 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.9 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.0 secs Computing kpt #: 231 total cpu time spent up to now is 395.6 secs Computing kpt #: 232 total cpu time spent up to now is 397.7 secs Computing kpt #: 233 total cpu time spent up to now is 399.3 secs Computing kpt #: 234 total cpu time spent up to now is 401.0 secs Computing kpt #: 235 total cpu time spent up to now is 402.5 secs Computing kpt #: 236 total cpu time spent up to now is 404.2 secs Computing kpt #: 237 total cpu time spent up to now is 405.8 secs Computing kpt #: 238 total cpu time spent up to now is 407.8 secs Computing kpt #: 239 total cpu time spent up to now is 409.5 secs Computing kpt #: 240 total cpu time spent up to now is 411.1 secs Computing kpt #: 241 total cpu time spent up to now is 412.7 secs Computing kpt #: 242 total cpu time spent up to now is 414.7 secs Computing kpt #: 243 total cpu time spent up to now is 416.5 secs Computing kpt #: 244 total cpu time spent up to now is 418.5 secs Computing kpt #: 245 total cpu time spent up to now is 420.4 secs Computing kpt #: 246 total cpu time spent up to now is 421.9 secs Computing kpt #: 247 total cpu time spent up to now is 423.5 secs Computing kpt #: 248 total cpu time spent up to now is 425.4 secs Computing kpt #: 249 total cpu time spent up to now is 427.1 secs Computing kpt #: 250 total cpu time spent up to now is 428.7 secs Computing kpt #: 251 total cpu time spent up to now is 430.5 secs Computing kpt #: 252 total cpu time spent up to now is 432.4 secs Computing kpt #: 253 total cpu time spent up to now is 434.3 secs Computing kpt #: 254 total cpu time spent up to now is 436.3 secs Computing kpt #: 255 total cpu time spent up to now is 438.1 secs Computing kpt #: 256 total cpu time spent up to now is 440.0 secs Computing kpt #: 257 total cpu time spent up to now is 441.9 secs Computing kpt #: 258 total cpu time spent up to now is 443.8 secs Computing kpt #: 259 total cpu time spent up to now is 445.8 secs Computing kpt #: 260 total cpu time spent up to now is 447.8 secs Computing kpt #: 261 total cpu time spent up to now is 449.7 secs Computing kpt #: 262 total cpu time spent up to now is 451.9 secs Computing kpt #: 263 total cpu time spent up to now is 453.9 secs Computing kpt #: 264 total cpu time spent up to now is 456.2 secs Computing kpt #: 265 total cpu time spent up to now is 458.5 secs Computing kpt #: 266 total cpu time spent up to now is 460.7 secs Computing kpt #: 267 total cpu time spent up to now is 462.7 secs Computing kpt #: 268 total cpu time spent up to now is 464.9 secs Computing kpt #: 269 total cpu time spent up to now is 467.6 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.7 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.9 secs Computing kpt #: 272 total cpu time spent up to now is 476.6 secs Computing kpt #: 273 total cpu time spent up to now is 479.0 secs Computing kpt #: 274 total cpu time spent up to now is 481.7 secs Computing kpt #: 275 total cpu time spent up to now is 484.0 secs Computing kpt #: 276 total cpu time spent up to now is 486.4 secs Computing kpt #: 277 total cpu time spent up to now is 488.2 secs Computing kpt #: 278 total cpu time spent up to now is 490.1 secs Computing kpt #: 279 total cpu time spent up to now is 492.0 secs Computing kpt #: 280 total cpu time spent up to now is 493.9 secs Computing kpt #: 281 total cpu time spent up to now is 495.8 secs Computing kpt #: 282 total cpu time spent up to now is 497.7 secs Computing kpt #: 283 total cpu time spent up to now is 499.6 secs Computing kpt #: 284 total cpu time spent up to now is 501.1 secs Computing kpt #: 285 total cpu time spent up to now is 502.7 secs Computing kpt #: 286 total cpu time spent up to now is 504.4 secs Computing kpt #: 287 total cpu time spent up to now is 505.9 secs Computing kpt #: 288 total cpu time spent up to now is 507.8 secs Computing kpt #: 289 total cpu time spent up to now is 509.4 secs Computing kpt #: 290 total cpu time spent up to now is 511.0 secs Computing kpt #: 291 total cpu time spent up to now is 512.6 secs Computing kpt #: 292 total cpu time spent up to now is 514.1 secs Computing kpt #: 293 total cpu time spent up to now is 515.6 secs Computing kpt #: 294 total cpu time spent up to now is 517.5 secs Computing kpt #: 295 total cpu time spent up to now is 519.0 secs Computing kpt #: 296 total cpu time spent up to now is 520.6 secs Computing kpt #: 297 total cpu time spent up to now is 522.4 secs Computing kpt #: 298 total cpu time spent up to now is 524.3 secs Computing kpt #: 299 total cpu time spent up to now is 526.0 secs Computing kpt #: 300 total cpu time spent up to now is 527.7 secs Computing kpt #: 301 total cpu time spent up to now is 529.4 secs Computing kpt #: 302 total cpu time spent up to now is 531.2 secs Computing kpt #: 303 total cpu time spent up to now is 533.1 secs Computing kpt #: 304 total cpu time spent up to now is 534.7 secs Computing kpt #: 305 total cpu time spent up to now is 536.3 secs Computing kpt #: 306 total cpu time spent up to now is 537.9 secs Computing kpt #: 307 total cpu time spent up to now is 539.5 secs Computing kpt #: 308 total cpu time spent up to now is 541.0 secs Computing kpt #: 309 total cpu time spent up to now is 542.6 secs Computing kpt #: 310 total cpu time spent up to now is 543.9 secs Computing kpt #: 311 total cpu time spent up to now is 545.1 secs Computing kpt #: 312 total cpu time spent up to now is 546.3 secs Computing kpt #: 313 total cpu time spent up to now is 547.7 secs Computing kpt #: 314 total cpu time spent up to now is 548.9 secs Computing kpt #: 315 total cpu time spent up to now is 550.0 secs Computing kpt #: 316 total cpu time spent up to now is 551.2 secs Computing kpt #: 317 total cpu time spent up to now is 552.3 secs Computing kpt #: 318 total cpu time spent up to now is 553.4 secs Computing kpt #: 319 total cpu time spent up to now is 554.5 secs Computing kpt #: 320 total cpu time spent up to now is 556.4 secs Computing kpt #: 321 total cpu time spent up to now is 558.3 secs Computing kpt #: 322 total cpu time spent up to now is 560.6 secs Computing kpt #: 323 total cpu time spent up to now is 562.4 secs Computing kpt #: 324 total cpu time spent up to now is 564.3 secs Computing kpt #: 325 total cpu time spent up to now is 566.2 secs Computing kpt #: 326 total cpu time spent up to now is 568.1 secs Computing kpt #: 327 total cpu time spent up to now is 570.0 secs Computing kpt #: 328 total cpu time spent up to now is 572.3 secs Computing kpt #: 329 total cpu time spent up to now is 574.2 secs Computing kpt #: 330 total cpu time spent up to now is 576.2 secs Computing kpt #: 331 total cpu time spent up to now is 578.1 secs Computing kpt #: 332 total cpu time spent up to now is 580.4 secs ethr = 2.63E-08, avg # of iterations = 39.7 total cpu time spent up to now is 580.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8572 -20.8572 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2282 -20.2282 -20.1867 -20.1867 -9.0001 -9.0001 -8.7898 -8.7898 0.2217 0.2217 1.7969 1.7969 3.2436 3.2436 4.0457 4.0457 4.1243 4.1243 4.1393 4.1393 4.2251 4.2251 4.9781 4.9781 9.0245 9.0245 9.0353 9.0353 9.1541 9.1541 9.4208 9.4208 9.4215 9.4215 k = 0.0094-0.0232-0.0137 ( 3881 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8572 -20.8572 -20.7299 -20.7299 -20.3745 -20.3745 -20.2434 -20.2434 -20.2282 -20.2282 -20.1868 -20.1868 -8.9996 -8.9996 -8.7894 -8.7894 0.2229 0.2229 1.7978 1.7978 3.2418 3.2418 4.0439 4.0439 4.1223 4.1223 4.1390 4.1390 4.2247 4.2247 4.9774 4.9774 9.0218 9.0218 9.0334 9.0334 9.1549 9.1549 9.4221 9.4221 9.4230 9.4230 k = 0.0189-0.0464-0.0275 ( 3880 PWs) bands (ev): -41.8600 -41.8600 -41.8227 -41.8227 -20.8572 -20.8572 -20.7301 -20.7301 -20.3746 -20.3746 -20.2441 -20.2441 -20.2280 -20.2280 -20.1871 -20.1871 -8.9982 -8.9982 -8.7883 -8.7883 0.2267 0.2267 1.8004 1.8004 3.2362 3.2362 4.0384 4.0384 4.1169 4.1169 4.1382 4.1382 4.2233 4.2233 4.9753 4.9753 9.0111 9.0111 9.0309 9.0309 9.1574 9.1574 9.4258 9.4258 9.4276 9.4276 k = 0.0283-0.0697-0.0412 ( 3878 PWs) bands (ev): -41.8599 -41.8599 -41.8226 -41.8226 -20.8571 -20.8571 -20.7305 -20.7305 -20.3747 -20.3747 -20.2451 -20.2451 -20.2278 -20.2278 -20.1877 -20.1877 -8.9959 -8.9959 -8.7864 -8.7864 0.2330 0.2330 1.8047 1.8047 3.2271 3.2271 4.0284 4.0284 4.1089 4.1089 4.1366 4.1366 4.2209 4.2209 4.9715 4.9715 8.9916 8.9916 9.0293 9.0293 9.1611 9.1611 9.4318 9.4318 9.4349 9.4349 k = 0.0377-0.0929-0.0550 ( 3874 PWs) bands (ev): -41.8597 -41.8597 -41.8225 -41.8225 -20.8571 -20.8571 -20.7311 -20.7311 -20.3749 -20.3749 -20.2464 -20.2464 -20.2275 -20.2275 -20.1885 -20.1885 -8.9927 -8.9927 -8.7838 -8.7838 0.2417 0.2417 1.8106 1.8106 3.2144 3.2144 4.0132 4.0132 4.0997 4.0997 4.1342 4.1342 4.2176 4.2176 4.9661 4.9661 8.9648 8.9648 9.0282 9.0282 9.1658 9.1658 9.4400 9.4400 9.4445 9.4445 k = 0.0472-0.1161-0.0687 ( 3872 PWs) bands (ev): -41.8595 -41.8595 -41.8224 -41.8224 -20.8571 -20.8571 -20.7318 -20.7318 -20.3752 -20.3752 -20.2480 -20.2480 -20.2272 -20.2272 -20.1895 -20.1895 -8.9886 -8.9886 -8.7805 -8.7805 0.2530 0.2530 1.8183 1.8183 3.1982 3.1982 3.9922 3.9922 4.0901 4.0901 4.1308 4.1308 4.2133 4.2133 4.9588 4.9588 8.9322 8.9322 9.0272 9.0272 9.1713 9.1713 9.4504 9.4504 9.4558 9.4558 k = 0.0566-0.1393-0.0825 ( 3872 PWs) bands (ev): -41.8592 -41.8592 -41.8223 -41.8223 -20.8571 -20.8571 -20.7327 -20.7327 -20.3755 -20.3755 -20.2499 -20.2499 -20.2270 -20.2270 -20.1908 -20.1908 -8.9835 -8.9835 -8.7765 -8.7765 0.2667 0.2667 1.8275 1.8275 3.1788 3.1788 3.9652 3.9652 4.0807 4.0807 4.1265 4.1265 4.2080 4.2080 4.9494 4.9494 8.8945 8.8945 9.0265 9.0265 9.1773 9.1773 9.4626 9.4626 9.4683 9.4683 k = 0.0660-0.1625-0.0962 ( 3868 PWs) bands (ev): -41.8589 -41.8589 -41.8222 -41.8222 -20.8571 -20.8571 -20.7338 -20.7338 -20.3759 -20.3759 -20.2519 -20.2519 -20.2269 -20.2269 -20.1922 -20.1922 -8.9776 -8.9776 -8.7718 -8.7718 0.2827 0.2827 1.8382 1.8382 3.1563 3.1563 3.9329 3.9329 4.0714 4.0714 4.1214 4.1214 4.2017 4.2017 4.9377 4.9377 8.8524 8.8524 9.0262 9.0262 9.1836 9.1836 9.4767 9.4767 9.4819 9.4819 k = 0.0755-0.1857-0.1100 ( 3868 PWs) bands (ev): -41.8585 -41.8585 -41.8220 -41.8220 -20.8571 -20.8571 -20.7350 -20.7350 -20.3764 -20.3764 -20.2542 -20.2542 -20.2269 -20.2269 -20.1938 -20.1938 -8.9708 -8.9708 -8.7664 -8.7664 0.3012 0.3012 1.8505 1.8505 3.1309 3.1309 3.8958 3.8958 4.0620 4.0620 4.1153 4.1153 4.1944 4.1944 4.9235 4.9235 8.8067 8.8067 9.0264 9.0264 9.1901 9.1901 9.4922 9.4922 9.4966 9.4966 k = 0.0849-0.2090-0.1237 ( 3864 PWs) bands (ev): -41.8581 -41.8581 -41.8219 -41.8219 -20.8571 -20.8571 -20.7363 -20.7363 -20.3769 -20.3769 -20.2566 -20.2566 -20.2270 -20.2270 -20.1955 -20.1955 -8.9632 -8.9632 -8.7603 -8.7603 0.3220 0.3220 1.8642 1.8642 3.1027 3.1027 3.8546 3.8546 4.0524 4.0524 4.1082 4.1082 4.1861 4.1861 4.9068 4.9068 8.7578 8.7578 9.0272 9.0272 9.1965 9.1965 9.5086 9.5086 9.5128 9.5128 k = 0.0943-0.2322-0.1375 ( 3866 PWs) bands (ev): -41.8577 -41.8577 -41.8217 -41.8217 -20.8572 -20.8572 -20.7379 -20.7379 -20.3775 -20.3775 -20.2592 -20.2592 -20.2273 -20.2273 -20.1974 -20.1974 -8.9548 -8.9548 -8.7535 -8.7535 0.3450 0.3450 1.8792 1.8792 3.0721 3.0721 3.8099 3.8099 4.0423 4.0423 4.1002 4.1002 4.1769 4.1769 4.8874 4.8874 8.7062 8.7062 9.0289 9.0289 9.2023 9.2023 9.5250 9.5250 9.5312 9.5312 k = 0.1038-0.2554-0.1512 ( 3861 PWs) bands (ev): -41.8571 -41.8571 -41.8215 -41.8215 -20.8572 -20.8572 -20.7395 -20.7395 -20.3781 -20.3781 -20.2619 -20.2619 -20.2277 -20.2277 -20.1994 -20.1994 -8.9455 -8.9455 -8.7461 -8.7461 0.3703 0.3703 1.8955 1.8955 3.0392 3.0392 3.7623 3.7623 4.0319 4.0319 4.0911 4.0911 4.1667 4.1667 4.8653 4.8653 8.6525 8.6525 9.0315 9.0315 9.2073 9.2073 9.5417 9.5417 9.5516 9.5516 k = 0.1132-0.2786-0.1649 ( 3863 PWs) bands (ev): -41.8566 -41.8566 -41.8212 -41.8212 -20.8573 -20.8573 -20.7413 -20.7413 -20.3787 -20.3787 -20.2648 -20.2648 -20.2284 -20.2284 -20.2014 -20.2014 -8.9355 -8.9355 -8.7381 -8.7381 0.3976 0.3976 1.9129 1.9129 3.0042 3.0042 3.7123 3.7123 4.0208 4.0208 4.0810 4.0810 4.1556 4.1556 4.8404 4.8404 8.5968 8.5968 9.0351 9.0351 9.2112 9.2112 9.5591 9.5591 9.5736 9.5736 k = 0.1226-0.3018-0.1787 ( 3865 PWs) bands (ev): -41.8560 -41.8560 -41.8210 -41.8210 -20.8574 -20.8574 -20.7433 -20.7433 -20.3794 -20.3794 -20.2678 -20.2678 -20.2292 -20.2292 -20.2035 -20.2035 -8.9248 -8.9248 -8.7296 -8.7296 0.4271 0.4271 1.9313 1.9313 2.9674 2.9674 3.6606 3.6606 4.0092 4.0092 4.0698 4.0698 4.1437 4.1437 4.8128 4.8128 8.5397 8.5397 9.0398 9.0398 9.2137 9.2137 9.5773 9.5773 9.5971 9.5971 k = 0.1321-0.3250-0.1924 ( 3865 PWs) bands (ev): -41.8554 -41.8554 -41.8208 -41.8208 -20.8575 -20.8575 -20.7454 -20.7454 -20.3802 -20.3802 -20.2709 -20.2709 -20.2303 -20.2303 -20.2055 -20.2055 -8.9134 -8.9134 -8.7204 -8.7204 0.4585 0.4585 1.9506 1.9506 2.9291 2.9291 3.6074 3.6074 3.9970 3.9970 4.0575 4.0575 4.1311 4.1311 4.7825 4.7825 8.4815 8.4815 9.0456 9.0456 9.2144 9.2144 9.5968 9.5968 9.6219 9.6219 k = 0.1415-0.3483-0.2062 ( 3869 PWs) bands (ev): -41.8547 -41.8547 -41.8205 -41.8205 -20.8576 -20.8576 -20.7477 -20.7477 -20.3810 -20.3810 -20.2741 -20.2741 -20.2317 -20.2317 -20.2076 -20.2076 -8.9013 -8.9013 -8.7108 -8.7108 0.4918 0.4918 1.9705 1.9705 2.8894 2.8894 3.5534 3.5534 3.9842 3.9842 4.0441 4.0441 4.1179 4.1179 4.7497 4.7497 8.4224 8.4224 9.0526 9.0526 9.2131 9.2131 9.6175 9.6175 9.6480 9.6480 k = 0.1509-0.3715-0.2199 ( 3871 PWs) bands (ev): -41.8540 -41.8540 -41.8202 -41.8202 -20.8578 -20.8578 -20.7501 -20.7501 -20.3818 -20.3818 -20.2773 -20.2773 -20.2333 -20.2333 -20.2095 -20.2095 -8.8885 -8.8885 -8.7006 -8.7006 0.5269 0.5269 1.9909 1.9909 2.8487 2.8487 3.4989 3.4989 3.9708 3.9708 4.0294 4.0294 4.1041 4.1041 4.7145 4.7145 8.3628 8.3628 9.0608 9.0608 9.2098 9.2098 9.6396 9.6396 9.6754 9.6754 k = 0.1604-0.3947-0.2337 ( 3870 PWs) bands (ev): -41.8533 -41.8533 -41.8200 -41.8200 -20.8579 -20.8579 -20.7526 -20.7526 -20.3827 -20.3827 -20.2807 -20.2807 -20.2351 -20.2351 -20.2113 -20.2113 -8.8752 -8.8752 -8.6900 -8.6900 0.5636 0.5636 2.0115 2.0115 2.8072 2.8072 3.4445 3.4445 3.9568 3.9568 4.0137 4.0137 4.0900 4.0900 4.6770 4.6770 8.3031 8.3031 9.0701 9.0701 9.2043 9.2043 9.6634 9.6634 9.7041 9.7041 k = 0.1698-0.4179-0.2474 ( 3867 PWs) bands (ev): -41.8525 -41.8525 -41.8197 -41.8197 -20.8582 -20.8582 -20.7552 -20.7552 -20.3835 -20.3835 -20.2841 -20.2841 -20.2373 -20.2373 -20.2130 -20.2130 -8.8613 -8.8613 -8.6789 -8.6789 0.6019 0.6019 2.0321 2.0321 2.7651 2.7651 3.3905 3.3905 3.9422 3.9422 3.9969 3.9969 4.0756 4.0756 4.6374 4.6374 8.2433 8.2433 9.0807 9.0807 9.1968 9.1968 9.6887 9.6887 9.7341 9.7341 k = 0.1792-0.4411-0.2612 ( 3865 PWs) bands (ev): -41.8517 -41.8517 -41.8194 -41.8194 -20.8584 -20.8584 -20.7580 -20.7580 -20.3845 -20.3845 -20.2875 -20.2875 -20.2396 -20.2396 -20.2145 -20.2145 -8.8468 -8.8468 -8.6674 -8.6674 0.6415 0.6415 2.0524 2.0524 2.7227 2.7227 3.3375 3.3375 3.9268 3.9268 3.9791 3.9791 4.0609 4.0609 4.5959 4.5959 8.1836 8.1836 9.0924 9.0924 9.1872 9.1872 9.7156 9.7156 9.7653 9.7653 k = 0.1887-0.4643-0.2749 ( 3869 PWs) bands (ev): -41.8509 -41.8509 -41.8191 -41.8191 -20.8587 -20.8587 -20.7608 -20.7608 -20.3854 -20.3854 -20.2910 -20.2910 -20.2422 -20.2422 -20.2160 -20.2160 -8.8320 -8.8320 -8.6556 -8.6556 0.6823 0.6823 2.0719 2.0719 2.6802 2.6802 3.2860 3.2860 3.9107 3.9107 3.9604 3.9604 4.0461 4.0461 4.5527 4.5527 8.1243 8.1243 9.1051 9.1051 9.1757 9.1757 9.7442 9.7442 9.7977 9.7977 k = 0.1981-0.4876-0.2887 ( 3875 PWs) bands (ev): -41.8501 -41.8501 -41.8188 -41.8188 -20.8591 -20.8591 -20.7638 -20.7638 -20.3864 -20.3864 -20.2945 -20.2945 -20.2450 -20.2450 -20.2174 -20.2174 -8.8167 -8.8167 -8.6435 -8.6435 0.7241 0.7241 2.0904 2.0904 2.6378 2.6378 3.2366 3.2366 3.8938 3.8938 3.9412 3.9412 4.0312 4.0312 4.5080 4.5080 8.0655 8.0655 9.1186 9.1186 9.1626 9.1626 9.7744 9.7744 9.8313 9.8313 k = 0.2075-0.5108-0.3024 ( 3871 PWs) bands (ev): -41.8492 -41.8492 -41.8185 -41.8185 -20.8594 -20.8594 -20.7669 -20.7669 -20.3873 -20.3873 -20.2981 -20.2981 -20.2478 -20.2478 -20.2187 -20.2187 -8.8010 -8.8010 -8.6311 -8.6311 0.7668 0.7668 2.1074 2.1074 2.5957 2.5957 3.1899 3.1899 3.8757 3.8757 3.9218 3.9218 4.0163 4.0163 4.4619 4.4619 8.0076 8.0076 9.1317 9.1317 9.1493 9.1493 9.8062 9.8062 9.8660 9.8660 k = 0.2170-0.5340-0.3162 ( 3866 PWs) bands (ev): -41.8483 -41.8483 -41.8182 -41.8182 -20.8598 -20.8598 -20.7700 -20.7700 -20.3883 -20.3883 -20.3016 -20.3016 -20.2507 -20.2507 -20.2199 -20.2199 -8.7849 -8.7849 -8.6185 -8.6185 0.8100 0.8100 2.1224 2.1224 2.5542 2.5542 3.1465 3.1465 3.8565 3.8565 3.9024 3.9024 4.0014 4.0014 4.4148 4.4148 7.9504 7.9504 9.1283 9.1283 9.1520 9.1520 9.8395 9.8395 9.9019 9.9019 k = 0.2264-0.5572-0.3299 ( 3861 PWs) bands (ev): -41.8474 -41.8474 -41.8179 -41.8179 -20.8603 -20.8603 -20.7732 -20.7732 -20.3893 -20.3893 -20.3052 -20.3052 -20.2537 -20.2537 -20.2211 -20.2211 -8.7686 -8.7686 -8.6057 -8.6057 0.8535 0.8535 2.1350 2.1350 2.5133 2.5133 3.1072 3.1072 3.8359 3.8359 3.8835 3.8835 3.9865 3.9865 4.3667 4.3667 7.8942 7.8942 9.1115 9.1115 9.1675 9.1675 9.8742 9.8742 9.9387 9.9387 k = 0.2358-0.5804-0.3436 ( 3864 PWs) bands (ev): -41.8465 -41.8465 -41.8176 -41.8176 -20.8608 -20.8608 -20.7766 -20.7766 -20.3903 -20.3903 -20.3088 -20.3088 -20.2567 -20.2567 -20.2223 -20.2223 -8.7521 -8.7521 -8.5927 -8.5927 0.8970 0.8970 2.1448 2.1448 2.4731 2.4731 3.0726 3.0726 3.8140 3.8140 3.8651 3.8651 3.9716 3.9716 4.3179 4.3179 7.8390 7.8390 9.0926 9.0926 9.1845 9.1845 9.9103 9.9103 9.9765 9.9765 k = 0.2453-0.6036-0.3574 ( 3864 PWs) bands (ev): -41.8456 -41.8456 -41.8174 -41.8174 -20.8613 -20.8613 -20.7799 -20.7799 -20.3912 -20.3912 -20.3124 -20.3124 -20.2597 -20.2597 -20.2234 -20.2234 -8.7354 -8.7354 -8.5797 -8.5797 0.9402 0.9402 2.1515 2.1515 2.4337 2.4337 3.0433 3.0433 3.7909 3.7909 3.8474 3.8474 3.9567 3.9567 4.2686 4.2686 7.7850 7.7850 9.0726 9.0726 9.2023 9.2023 9.9478 9.9478 10.0153 10.0153 k = 0.2547-0.6269-0.3711 ( 3861 PWs) bands (ev): -41.8446 -41.8446 -41.8171 -41.8171 -20.8618 -20.8618 -20.7833 -20.7833 -20.3922 -20.3922 -20.3159 -20.3159 -20.2626 -20.2626 -20.2245 -20.2245 -8.7185 -8.7185 -8.5666 -8.5666 0.9826 0.9826 2.1551 2.1551 2.3953 2.3953 3.0198 3.0198 3.7670 3.7670 3.8303 3.8303 3.9420 3.9420 4.2189 4.2189 7.7322 7.7322 9.0516 9.0516 9.2206 9.2206 9.9865 9.9865 10.0548 10.0548 k = 0.2642-0.6501-0.3849 ( 3859 PWs) bands (ev): -41.8437 -41.8437 -41.8168 -41.8168 -20.8624 -20.8624 -20.7868 -20.7868 -20.3931 -20.3931 -20.3195 -20.3195 -20.2654 -20.2654 -20.2257 -20.2257 -8.7016 -8.7016 -8.5535 -8.5535 1.0239 1.0239 2.1557 2.1557 2.3578 2.3578 3.0022 3.0022 3.7423 3.7423 3.8137 3.8137 3.9274 3.9274 4.1692 4.1692 7.6807 7.6807 9.0299 9.0299 9.2393 9.2393 10.0265 10.0265 10.0951 10.0951 k = 0.2736-0.6733-0.3986 ( 3857 PWs) bands (ev): -41.8427 -41.8427 -41.8165 -41.8165 -20.8631 -20.8631 -20.7903 -20.7903 -20.3940 -20.3940 -20.3230 -20.3230 -20.2682 -20.2682 -20.2268 -20.2268 -8.6847 -8.6847 -8.5406 -8.5406 1.0635 1.0635 2.1533 2.1533 2.3215 2.3215 2.9906 2.9906 3.7174 3.7174 3.7976 3.7976 3.9128 3.9128 4.1194 4.1194 7.6305 7.6305 9.0076 9.0076 9.2582 9.2582 10.0676 10.0676 10.1360 10.1360 k = 0.2830-0.6965-0.4124 ( 3861 PWs) bands (ev): -41.8418 -41.8418 -41.8163 -41.8163 -20.8637 -20.8637 -20.7938 -20.7938 -20.3949 -20.3949 -20.3265 -20.3265 -20.2708 -20.2708 -20.2279 -20.2279 -8.6678 -8.6678 -8.5277 -8.5277 1.1010 1.1010 2.1482 2.1482 2.2872 2.2872 2.9846 2.9846 3.6923 3.6923 3.7820 3.7820 3.8984 3.8984 4.0699 4.0699 7.5818 7.5818 8.9848 8.9848 9.2772 9.2772 10.1098 10.1098 10.1774 10.1775 k = 0.2925-0.7197-0.4261 ( 3859 PWs) bands (ev): -41.8408 -41.8408 -41.8161 -41.8161 -20.8643 -20.8643 -20.7974 -20.7974 -20.3958 -20.3958 -20.3299 -20.3299 -20.2734 -20.2734 -20.2290 -20.2290 -8.6510 -8.6510 -8.5150 -8.5150 1.1358 1.1358 2.1397 2.1397 2.2563 2.2563 2.9837 2.9837 3.6675 3.6675 3.7668 3.7668 3.8839 3.8839 4.0210 4.0210 7.5344 7.5344 8.9616 8.9616 9.2963 9.2963 10.1531 10.1531 10.2193 10.2193 k = 0.3019-0.7429-0.4399 ( 3853 PWs) bands (ev): -41.8399 -41.8399 -41.8158 -41.8158 -20.8650 -20.8650 -20.8009 -20.8009 -20.3966 -20.3966 -20.3333 -20.3333 -20.2757 -20.2757 -20.2301 -20.2301 -8.6343 -8.6343 -8.5025 -8.5025 1.1674 1.1674 2.1263 2.1263 2.2316 2.2316 2.9872 2.9872 3.6432 3.6432 3.7520 3.7520 3.8693 3.8693 3.9730 3.9730 7.4885 7.4885 8.9383 8.9383 9.3152 9.3152 10.1974 10.1974 10.2615 10.2615 k = 0.3113-0.7662-0.4536 ( 3857 PWs) bands (ev): -41.8389 -41.8389 -41.8156 -41.8156 -20.8657 -20.8657 -20.8044 -20.8044 -20.3974 -20.3974 -20.3367 -20.3367 -20.2780 -20.2780 -20.2312 -20.2312 -8.6179 -8.6179 -8.4902 -8.4902 1.1954 1.1954 2.1059 2.1059 2.2164 2.2164 2.9940 2.9940 3.6195 3.6195 3.7377 3.7377 3.8539 3.8539 3.9267 3.9267 7.4441 7.4441 8.9149 8.9149 9.3338 9.3338 10.2426 10.2426 10.3039 10.3039 k = 0.3208-0.7894-0.4674 ( 3856 PWs) bands (ev): -41.8380 -41.8380 -41.8155 -41.8155 -20.8664 -20.8664 -20.8079 -20.8079 -20.3981 -20.3981 -20.3400 -20.3400 -20.2801 -20.2801 -20.2323 -20.2323 -8.6017 -8.6017 -8.4783 -8.4783 1.2193 1.2193 2.0787 2.0787 2.2114 2.2114 3.0033 3.0033 3.5968 3.5968 3.7237 3.7237 3.8357 3.8357 3.8845 3.8845 7.4012 7.4012 8.8916 8.8916 9.3521 9.3521 10.2887 10.2887 10.3464 10.3464 k = 0.3302-0.8126-0.4811 ( 3854 PWs) bands (ev): -41.8371 -41.8371 -41.8153 -41.8153 -20.8670 -20.8670 -20.8113 -20.8113 -20.3988 -20.3988 -20.3432 -20.3432 -20.2821 -20.2821 -20.2334 -20.2334 -8.5858 -8.5858 -8.4668 -8.4668 1.2389 1.2389 2.0471 2.0471 2.2152 2.2152 3.0142 3.0142 3.5752 3.5752 3.7102 3.7102 3.8087 3.8087 3.8525 3.8525 7.3599 7.3599 8.8685 8.8685 9.3699 9.3699 10.3355 10.3355 10.3887 10.3887 k = 0.3396-0.8358-0.4948 ( 3851 PWs) bands (ev): -41.8362 -41.8362 -41.8151 -41.8151 -20.8677 -20.8677 -20.8147 -20.8147 -20.3994 -20.3994 -20.3464 -20.3464 -20.2838 -20.2838 -20.2345 -20.2345 -8.5703 -8.5703 -8.4556 -8.4556 1.2541 1.2541 2.0135 2.0135 2.2262 2.2262 3.0257 3.0257 3.5549 3.5549 3.6971 3.6971 3.7715 3.7715 3.8326 3.8326 7.3203 7.3203 8.8458 8.8458 9.3871 9.3871 10.3830 10.3830 10.4308 10.4308 k = 0.3491-0.8590-0.5086 ( 3849 PWs) bands (ev): -41.8353 -41.8353 -41.8150 -41.8150 -20.8683 -20.8683 -20.8180 -20.8180 -20.3999 -20.3999 -20.3495 -20.3495 -20.2855 -20.2855 -20.2355 -20.2355 -8.5552 -8.5552 -8.4450 -8.4450 1.2651 1.2651 1.9793 1.9793 2.2431 2.2431 3.0372 3.0372 3.5360 3.5360 3.6841 3.6841 3.7311 3.7311 3.8181 3.8181 7.2823 7.2823 8.8236 8.8236 9.4037 9.4037 10.4310 10.4310 10.4724 10.4724 k = 0.3585-0.8822-0.5223 ( 3851 PWs) bands (ev): -41.8345 -41.8345 -41.8149 -41.8149 -20.8689 -20.8689 -20.8212 -20.8212 -20.4004 -20.4004 -20.3525 -20.3525 -20.2870 -20.2870 -20.2365 -20.2365 -8.5405 -8.5405 -8.4348 -8.4348 1.2721 1.2721 1.9453 1.9453 2.2654 2.2654 3.0477 3.0477 3.5184 3.5184 3.6698 3.6698 3.6930 3.6930 3.8058 3.8058 7.2460 7.2460 8.8020 8.8020 9.4195 9.4195 10.4795 10.4795 10.5134 10.5134 k = 0.3679-0.9055-0.5361 ( 3853 PWs) bands (ev): -41.8336 -41.8336 -41.8148 -41.8148 -20.8694 -20.8694 -20.8244 -20.8244 -20.4008 -20.4008 -20.3554 -20.3554 -20.2884 -20.2884 -20.2375 -20.2375 -8.5265 -8.5265 -8.4252 -8.4252 1.2757 1.2757 1.9120 1.9120 2.2922 2.2922 3.0565 3.0565 3.5018 3.5018 3.6455 3.6455 3.6677 3.6677 3.7948 3.7948 7.2115 7.2115 8.7812 8.7812 9.4346 9.4346 10.5283 10.5283 10.5535 10.5535 k = 0.3774-0.9287-0.5498 ( 3859 PWs) bands (ev): -41.8328 -41.8328 -41.8147 -41.8147 -20.8699 -20.8699 -20.8275 -20.8275 -20.4012 -20.4012 -20.3582 -20.3582 -20.2896 -20.2896 -20.2385 -20.2385 -8.5130 -8.5130 -8.4162 -8.4162 1.2763 1.2763 1.8800 1.8800 2.3230 2.3230 3.0632 3.0632 3.4851 3.4851 3.6133 3.6133 3.6546 3.6546 3.7846 3.7846 7.1789 7.1789 8.7612 8.7612 9.4487 9.4487 10.5772 10.5772 10.5927 10.5927 k = 0.3868-0.9519-0.5636 ( 3852 PWs) bands (ev): -41.8321 -41.8321 -41.8146 -41.8146 -20.8704 -20.8704 -20.8303 -20.8303 -20.4015 -20.4015 -20.3608 -20.3608 -20.2907 -20.2907 -20.2394 -20.2394 -8.5002 -8.5002 -8.4078 -8.4078 1.2746 1.2746 1.8495 1.8495 2.3571 2.3571 3.0672 3.0672 3.4668 3.4668 3.5848 3.5848 3.6440 3.6440 3.7752 3.7752 7.1482 7.1482 8.7423 8.7423 9.4619 9.4619 10.6256 10.6256 10.6312 10.6312 k = 0.3962-0.9751-0.5773 ( 3851 PWs) bands (ev): -41.8313 -41.8313 -41.8146 -41.8146 -20.8708 -20.8708 -20.8331 -20.8331 -20.4017 -20.4017 -20.3633 -20.3633 -20.2916 -20.2916 -20.2403 -20.2403 -8.4880 -8.4880 -8.4000 -8.4000 1.2711 1.2711 1.8207 1.8207 2.3938 2.3938 3.0682 3.0682 3.4455 3.4455 3.5632 3.5632 3.6346 3.6346 3.7666 3.7666 7.1195 7.1195 8.7244 8.7244 9.4742 9.4742 10.6664 10.6664 10.6755 10.6755 k = 0.4057-0.9983-0.5911 ( 3845 PWs) bands (ev): -41.8307 -41.8307 -41.8146 -41.8146 -20.8711 -20.8711 -20.8357 -20.8357 -20.4018 -20.4018 -20.3657 -20.3657 -20.2924 -20.2924 -20.2411 -20.2411 -8.4767 -8.4767 -8.3930 -8.3930 1.2663 1.2663 1.7938 1.7938 2.4326 2.4326 3.0660 3.0660 3.4204 3.4204 3.5493 3.5493 3.6260 3.6260 3.7588 3.7588 7.0928 7.0928 8.7077 8.7077 9.4854 9.4854 10.7015 10.7015 10.7234 10.7234 k = 0.4151-1.0216-0.6048 ( 3839 PWs) bands (ev): -41.8300 -41.8300 -41.8146 -41.8146 -20.8714 -20.8714 -20.8382 -20.8382 -20.4019 -20.4019 -20.3679 -20.3679 -20.2932 -20.2932 -20.2419 -20.2419 -8.4661 -8.4661 -8.3866 -8.3866 1.2607 1.2607 1.7690 1.7690 2.4729 2.4729 3.0604 3.0604 3.3930 3.3930 3.5420 3.5420 3.6182 3.6182 3.7517 3.7517 7.0683 7.0683 8.6923 8.6923 9.4956 9.4956 10.7346 10.7346 10.7706 10.7706 k = 0.4245-1.0448-0.6186 ( 3841 PWs) bands (ev): -41.8294 -41.8294 -41.8146 -41.8146 -20.8716 -20.8716 -20.8405 -20.8405 -20.4019 -20.4019 -20.3700 -20.3700 -20.2938 -20.2938 -20.2426 -20.2426 -8.4565 -8.4565 -8.3809 -8.3809 1.2548 1.2548 1.7465 1.7465 2.5142 2.5142 3.0515 3.0515 3.3648 3.3648 3.5393 3.5393 3.6111 3.6111 3.7454 3.7454 7.0461 7.0461 8.6783 8.6783 9.5048 9.5048 10.7655 10.7655 10.8165 10.8166 k = 0.4340-1.0680-0.6323 ( 3842 PWs) bands (ev): -41.8289 -41.8289 -41.8146 -41.8146 -20.8718 -20.8718 -20.8425 -20.8425 -20.4019 -20.4019 -20.3719 -20.3719 -20.2943 -20.2943 -20.2433 -20.2433 -8.4477 -8.4477 -8.3759 -8.3759 1.2488 1.2488 1.7263 1.7263 2.5560 2.5560 3.0391 3.0391 3.3377 3.3377 3.5396 3.5396 3.6049 3.6049 3.7398 3.7398 7.0262 7.0262 8.6658 8.6658 9.5129 9.5129 10.7942 10.7942 10.8606 10.8606 k = 0.4434-1.0912-0.6460 ( 3839 PWs) bands (ev): -41.8284 -41.8284 -41.8146 -41.8146 -20.8719 -20.8719 -20.8444 -20.8444 -20.4018 -20.4018 -20.3736 -20.3736 -20.2947 -20.2947 -20.2439 -20.2439 -8.4400 -8.4400 -8.3717 -8.3717 1.2431 1.2431 1.7086 1.7086 2.5979 2.5979 3.0232 3.0232 3.3128 3.3128 3.5417 3.5417 3.5994 3.5994 3.7350 3.7350 7.0087 7.0087 8.6548 8.6548 9.5199 9.5199 10.8203 10.8203 10.9020 10.9021 k = 0.4528-1.1144-0.6598 ( 3843 PWs) bands (ev): -41.8280 -41.8280 -41.8146 -41.8146 -20.8720 -20.8720 -20.8460 -20.8460 -20.4017 -20.4017 -20.3751 -20.3751 -20.2951 -20.2951 -20.2444 -20.2444 -8.4333 -8.4333 -8.3681 -8.3681 1.2380 1.2380 1.6935 1.6935 2.6394 2.6394 3.0039 3.0039 3.2909 3.2909 3.5446 3.5446 3.5948 3.5948 3.7310 3.7310 6.9938 6.9938 8.6453 8.6453 9.5259 9.5259 10.8436 10.8436 10.9390 10.9401 k = 0.4623-1.1376-0.6735 ( 3835 PWs) bands (ev): -41.8277 -41.8277 -41.8146 -41.8146 -20.8720 -20.8720 -20.8474 -20.8474 -20.4016 -20.4016 -20.3763 -20.3763 -20.2953 -20.2953 -20.2448 -20.2448 -8.4277 -8.4277 -8.3653 -8.3653 1.2335 1.2335 1.6810 1.6810 2.6802 2.6802 2.9814 2.9814 3.2727 3.2727 3.5478 3.5478 3.5909 3.5909 3.7278 3.7278 6.9815 6.9815 8.6376 8.6376 9.5307 9.5307 10.8638 10.8638 10.9600 10.9602 k = 0.4717-1.1609-0.6873 ( 3829 PWs) bands (ev): -41.8274 -41.8274 -41.8147 -41.8147 -20.8720 -20.8720 -20.8485 -20.8485 -20.4015 -20.4015 -20.3773 -20.3773 -20.2955 -20.2955 -20.2451 -20.2451 -8.4233 -8.4233 -8.3631 -8.3631 1.2299 1.2299 1.6713 1.6713 2.7194 2.7194 2.9563 2.9563 3.2586 3.2586 3.5508 3.5508 3.5879 3.5879 3.7253 3.7253 6.9718 6.9718 8.6315 8.6315 9.5345 9.5345 10.8804 10.8804 10.9661 10.9662 k = 0.4811-1.1841-0.7010 ( 3828 PWs) bands (ev): -41.8272 -41.8272 -41.8147 -41.8147 -20.8719 -20.8719 -20.8493 -20.8493 -20.4014 -20.4014 -20.3780 -20.3780 -20.2957 -20.2957 -20.2453 -20.2453 -8.4201 -8.4201 -8.3615 -8.3615 1.2272 1.2272 1.6642 1.6642 2.7558 2.7558 2.9298 2.9298 3.2485 3.2485 3.5531 3.5531 3.5857 3.5857 3.7235 3.7235 6.9649 6.9649 8.6271 8.6271 9.5372 9.5372 10.8931 10.8931 10.9689 10.9689 k = 0.4906-1.2073-0.7148 ( 3826 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8498 -20.8498 -20.4013 -20.4013 -20.3785 -20.3785 -20.2958 -20.2958 -20.2454 -20.2454 -8.4182 -8.4182 -8.3606 -8.3606 1.2256 1.2256 1.6600 1.6600 2.7859 2.7859 2.9057 2.9057 3.2425 3.2425 3.5546 3.5546 3.5844 3.5844 3.7225 3.7225 6.9607 6.9607 8.6245 8.6245 9.5389 9.5389 10.9011 10.9011 10.9701 10.9701 k = 0.5000-1.2305-0.7285 ( 3826 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4176 -8.4176 -8.3603 -8.3603 1.2251 1.2251 1.6586 1.6586 2.7994 2.7994 2.8941 2.8941 3.2405 3.2405 3.5552 3.5552 3.5839 3.5839 3.7221 3.7221 6.9593 6.9593 8.6236 8.6236 9.5394 9.5394 10.9038 10.9038 10.9704 10.9705 k = 0.5000-1.2305-0.7285 ( 3826 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4176 -8.4176 -8.3603 -8.3603 1.2251 1.2251 1.6586 1.6586 2.7994 2.7994 2.8941 2.8941 3.2405 3.2405 3.5552 3.5552 3.5839 3.5839 3.7221 3.7221 6.9593 6.9593 8.6236 8.6236 9.5394 9.5394 10.9038 10.9038 10.9705 10.9705 k = 0.5000-1.2160-0.7531 ( 3828 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2959 -20.2959 -20.2456 -20.2456 -8.4174 -8.4174 -8.3602 -8.3602 1.2261 1.2261 1.6594 1.6594 2.7999 2.7999 2.8943 2.8943 3.2399 3.2399 3.5546 3.5546 3.5814 3.5814 3.7205 3.7205 6.9598 6.9598 8.6261 8.6261 9.5393 9.5393 10.9020 10.9020 10.9680 10.9681 k = 0.5000-1.2014-0.7777 ( 3828 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4015 -20.4015 -20.3784 -20.3784 -20.2961 -20.2961 -20.2458 -20.2458 -8.4168 -8.4168 -8.3598 -8.3598 1.2291 1.2291 1.6618 1.6618 2.8016 2.8016 2.8950 2.8950 3.2382 3.2382 3.5529 3.5529 3.5739 3.5739 3.7156 3.7156 6.9612 6.9612 8.6335 8.6335 9.5390 9.5390 10.8966 10.8966 10.9608 10.9608 k = 0.5000-1.1869-0.8022 ( 3832 PWs) bands (ev): -41.8269 -41.8269 -41.8147 -41.8147 -20.8718 -20.8718 -20.8500 -20.8500 -20.4016 -20.4016 -20.3782 -20.3782 -20.2964 -20.2964 -20.2463 -20.2463 -8.4160 -8.4160 -8.3592 -8.3592 1.2341 1.2341 1.6658 1.6658 2.8044 2.8044 2.8962 2.8962 3.2352 3.2352 3.5495 3.5495 3.5621 3.5621 3.7076 3.7076 6.9635 6.9635 8.6458 8.6458 9.5385 9.5385 10.8879 10.8879 10.9488 10.9488 k = 0.5000-1.1723-0.8268 ( 3832 PWs) bands (ev): -41.8268 -41.8268 -41.8147 -41.8147 -20.8717 -20.8717 -20.8500 -20.8500 -20.4019 -20.4019 -20.3779 -20.3779 -20.2968 -20.2968 -20.2470 -20.2470 -8.4147 -8.4147 -8.3584 -8.3584 1.2411 1.2411 1.6713 1.6713 2.8082 2.8082 2.8977 2.8977 3.2309 3.2309 3.5401 3.5401 3.5505 3.5505 3.6967 3.6967 6.9668 6.9668 8.6629 8.6629 9.5380 9.5380 10.8762 10.8762 10.9321 10.9321 k = 0.5000-1.1578-0.8514 ( 3836 PWs) bands (ev): -41.8267 -41.8267 -41.8147 -41.8147 -20.8715 -20.8715 -20.8500 -20.8500 -20.4022 -20.4022 -20.3775 -20.3775 -20.2974 -20.2974 -20.2478 -20.2478 -8.4132 -8.4132 -8.3573 -8.3573 1.2501 1.2501 1.6784 1.6784 2.8131 2.8131 2.8998 2.8998 3.2252 3.2252 3.5195 3.5195 3.5445 3.5445 3.6832 3.6832 6.9709 6.9709 8.6845 8.6845 9.5374 9.5374 10.8620 10.8620 10.9109 10.9109 k = 0.5000-1.1432-0.8760 ( 3840 PWs) bands (ev): -41.8266 -41.8266 -41.8147 -41.8147 -20.8713 -20.8713 -20.8500 -20.8500 -20.4026 -20.4026 -20.3770 -20.3770 -20.2981 -20.2981 -20.2488 -20.2488 -8.4113 -8.4113 -8.3560 -8.3560 1.2610 1.2610 1.6871 1.6871 2.8190 2.8190 2.9022 2.9022 3.2177 3.2177 3.4931 3.4931 3.5388 3.5388 3.6675 3.6675 6.9757 6.9757 8.7105 8.7105 9.5369 9.5369 10.8457 10.8457 10.8855 10.8855 k = 0.5000-1.1287-0.9005 ( 3834 PWs) bands (ev): -41.8264 -41.8264 -41.8148 -41.8148 -20.8711 -20.8711 -20.8501 -20.8501 -20.4031 -20.4031 -20.3764 -20.3764 -20.2988 -20.2988 -20.2499 -20.2499 -8.4091 -8.4091 -8.3545 -8.3545 1.2739 1.2739 1.6972 1.6972 2.8259 2.8259 2.9050 2.9050 3.2084 3.2084 3.4625 3.4625 3.5324 3.5324 3.6501 3.6501 6.9814 6.9814 8.7408 8.7408 9.5367 9.5367 10.8277 10.8277 10.8564 10.8564 k = 0.5000-1.1141-0.9251 ( 3836 PWs) bands (ev): -41.8262 -41.8262 -41.8148 -41.8148 -20.8709 -20.8709 -20.8501 -20.8501 -20.4036 -20.4036 -20.3757 -20.3757 -20.2997 -20.2997 -20.2512 -20.2512 -8.4066 -8.4066 -8.3528 -8.3528 1.2887 1.2887 1.7087 1.7087 2.8336 2.8336 2.9082 2.9082 3.1967 3.1967 3.4280 3.4280 3.5252 3.5252 3.6314 3.6314 6.9876 6.9876 8.7749 8.7749 9.5369 9.5369 10.8081 10.8081 10.8242 10.8242 k = 0.5000-1.0996-0.9497 ( 3836 PWs) bands (ev): -41.8260 -41.8260 -41.8148 -41.8148 -20.8706 -20.8706 -20.8502 -20.8502 -20.4042 -20.4042 -20.3750 -20.3750 -20.3007 -20.3007 -20.2525 -20.2525 -8.4038 -8.4038 -8.3509 -8.3509 1.3054 1.3054 1.7217 1.7217 2.8421 2.8421 2.9117 2.9117 3.1826 3.1826 3.3901 3.3901 3.5172 3.5172 3.6122 3.6122 6.9944 6.9944 8.8127 8.8127 9.5376 9.5376 10.7846 10.7846 10.7923 10.7923 k = 0.5000-1.0850-0.9743 ( 3830 PWs) bands (ev): -41.8257 -41.8257 -41.8148 -41.8148 -20.8703 -20.8703 -20.8502 -20.8502 -20.4048 -20.4048 -20.3741 -20.3741 -20.3018 -20.3018 -20.2540 -20.2540 -8.4007 -8.4007 -8.3489 -8.3489 1.3240 1.3240 1.7359 1.7359 2.8513 2.8513 2.9156 2.9156 3.1655 3.1655 3.3492 3.3492 3.5086 3.5086 3.5929 3.5929 7.0017 7.0017 8.8539 8.8539 9.5390 9.5390 10.7493 10.7493 10.7694 10.7694 k = 0.5000-1.0705-0.9988 ( 3830 PWs) bands (ev): -41.8255 -41.8255 -41.8149 -41.8149 -20.8700 -20.8700 -20.8503 -20.8503 -20.4055 -20.4055 -20.3731 -20.3731 -20.3031 -20.3031 -20.2556 -20.2556 -8.3974 -8.3974 -8.3468 -8.3468 1.3443 1.3443 1.7515 1.7515 2.8610 2.8610 2.9197 2.9197 3.1451 3.1451 3.3058 3.3058 3.4992 3.4992 3.5741 3.5741 7.0094 7.0094 8.8981 8.8981 9.5412 9.5412 10.7100 10.7100 10.7483 10.7483 k = 0.5000-1.0559-1.0234 ( 3836 PWs) bands (ev): -41.8252 -41.8252 -41.8149 -41.8149 -20.8697 -20.8697 -20.8505 -20.8505 -20.4063 -20.4063 -20.3721 -20.3721 -20.3044 -20.3044 -20.2573 -20.2573 -8.3939 -8.3939 -8.3445 -8.3445 1.3665 1.3665 1.7683 1.7683 2.8708 2.8708 2.9240 2.9240 3.1212 3.1212 3.2605 3.2605 3.4895 3.4895 3.5562 3.5562 7.0173 7.0173 8.9451 8.9451 9.5443 9.5443 10.6690 10.6690 10.7274 10.7274 k = 0.5000-1.0414-1.0480 ( 3832 PWs) bands (ev): -41.8249 -41.8249 -41.8150 -41.8150 -20.8693 -20.8693 -20.8506 -20.8506 -20.4070 -20.4070 -20.3710 -20.3710 -20.3058 -20.3058 -20.2590 -20.2590 -8.3901 -8.3901 -8.3422 -8.3422 1.3903 1.3903 1.7862 1.7862 2.8806 2.8806 2.9286 2.9286 3.0939 3.0939 3.2140 3.2140 3.4794 3.4794 3.5396 3.5396 7.0254 7.0254 8.9946 8.9946 9.5485 9.5485 10.6270 10.6270 10.7067 10.7067 k = 0.5000-1.0268-1.0726 ( 3836 PWs) bands (ev): -41.8246 -41.8246 -41.8151 -41.8151 -20.8690 -20.8690 -20.8508 -20.8508 -20.4079 -20.4079 -20.3698 -20.3698 -20.3073 -20.3073 -20.2607 -20.2607 -8.3862 -8.3862 -8.3399 -8.3399 1.4159 1.4159 1.8050 1.8050 2.8895 2.8895 2.9332 2.9332 3.0632 3.0632 3.1672 3.1672 3.4694 3.4694 3.5242 3.5242 7.0335 7.0335 9.0464 9.0464 9.5540 9.5540 10.5842 10.5842 10.6863 10.6863 k = 0.5000-1.0123-1.0971 ( 3834 PWs) bands (ev): -41.8243 -41.8243 -41.8151 -41.8151 -20.8686 -20.8686 -20.8509 -20.8509 -20.4087 -20.4087 -20.3685 -20.3685 -20.3089 -20.3089 -20.2625 -20.2625 -8.3822 -8.3822 -8.3375 -8.3375 1.4431 1.4431 1.8248 1.8248 2.8961 2.8961 2.9377 2.9377 3.0299 3.0299 3.1216 3.1216 3.4595 3.4595 3.5100 3.5100 7.0416 7.0416 9.1000 9.1000 9.5607 9.5607 10.5411 10.5411 10.6664 10.6664 k = 0.5000-0.9977-1.1217 ( 3834 PWs) bands (ev): -41.8239 -41.8239 -41.8152 -41.8152 -20.8682 -20.8682 -20.8511 -20.8511 -20.4096 -20.4096 -20.3672 -20.3672 -20.3106 -20.3106 -20.2642 -20.2642 -8.3780 -8.3780 -8.3351 -8.3351 1.4718 1.4718 1.8453 1.8453 2.8975 2.8975 2.9412 2.9412 2.9959 2.9959 3.0797 3.0797 3.4500 3.4500 3.4970 3.4970 7.0494 7.0494 9.1552 9.1552 9.5687 9.5687 10.4981 10.4981 10.6471 10.6471 k = 0.5000-0.9832-1.1463 ( 3836 PWs) bands (ev): -41.8236 -41.8236 -41.8153 -41.8153 -20.8679 -20.8679 -20.8514 -20.8514 -20.4105 -20.4105 -20.3658 -20.3658 -20.3123 -20.3123 -20.2659 -20.2659 -8.3737 -8.3737 -8.3328 -8.3328 1.5021 1.5021 1.8664 1.8664 2.8886 2.8886 2.9361 2.9361 2.9702 2.9702 3.0461 3.0461 3.4408 3.4408 3.4851 3.4851 7.0570 7.0570 9.2116 9.2116 9.5781 9.5781 10.4554 10.4554 10.6284 10.6284 k = 0.5000-0.9686-1.1709 ( 3838 PWs) bands (ev): -41.8232 -41.8232 -41.8154 -41.8154 -20.8675 -20.8675 -20.8517 -20.8517 -20.4114 -20.4114 -20.3643 -20.3643 -20.3141 -20.3141 -20.2676 -20.2676 -8.3694 -8.3694 -8.3305 -8.3305 1.5338 1.5338 1.8878 1.8878 2.8639 2.8639 2.9087 2.9087 2.9672 2.9672 3.0259 3.0259 3.4319 3.4319 3.4741 3.4741 7.0642 7.0642 9.2690 9.2690 9.5889 9.5889 10.4135 10.4135 10.6106 10.6106 k = 0.5000-0.9541-1.1954 ( 3834 PWs) bands (ev): -41.8228 -41.8228 -41.8155 -41.8155 -20.8671 -20.8671 -20.8519 -20.8519 -20.4122 -20.4122 -20.3628 -20.3628 -20.3160 -20.3160 -20.2692 -20.2692 -8.3651 -8.3651 -8.3284 -8.3284 1.5669 1.5669 1.9094 1.9094 2.8259 2.8259 2.8718 2.8718 2.9726 2.9726 3.0198 3.0198 3.4232 3.4232 3.4641 3.4641 7.0710 7.0710 9.3269 9.3269 9.6010 9.6010 10.3727 10.3727 10.5935 10.5935 k = 0.5000-0.9395-1.2200 ( 3838 PWs) bands (ev): -41.8224 -41.8224 -41.8157 -41.8157 -20.8667 -20.8667 -20.8523 -20.8523 -20.4131 -20.4131 -20.3613 -20.3613 -20.3178 -20.3178 -20.2707 -20.2707 -8.3608 -8.3608 -8.3264 -8.3264 1.6012 1.6012 1.9308 1.9308 2.7807 2.7807 2.8314 2.8314 2.9794 2.9794 3.0226 3.0226 3.4145 3.4145 3.4549 3.4549 7.0772 7.0772 9.3849 9.3849 9.6144 9.6144 10.3335 10.3335 10.5775 10.5775 k = 0.5000-0.9250-1.2446 ( 3828 PWs) bands (ev): -41.8220 -41.8220 -41.8158 -41.8158 -20.8663 -20.8663 -20.8526 -20.8526 -20.4138 -20.4138 -20.3597 -20.3597 -20.3197 -20.3197 -20.2721 -20.2721 -8.3565 -8.3565 -8.3246 -8.3246 1.6367 1.6367 1.9516 1.9516 2.7325 2.7325 2.7901 2.7901 2.9868 2.9868 3.0301 3.0301 3.4058 3.4058 3.4465 3.4465 7.0829 7.0829 9.4424 9.4424 9.6287 9.6287 10.2965 10.2965 10.5626 10.5626 k = 0.5000-0.9104-1.2691 ( 3826 PWs) bands (ev): -41.8216 -41.8216 -41.8160 -41.8160 -20.8660 -20.8660 -20.8530 -20.8530 -20.4146 -20.4146 -20.3581 -20.3581 -20.3217 -20.3217 -20.2734 -20.2734 -8.3522 -8.3522 -8.3230 -8.3230 1.6733 1.6733 1.9714 1.9714 2.6833 2.6833 2.7493 2.7493 2.9947 2.9947 3.0397 3.0397 3.3972 3.3972 3.4388 3.4388 7.0880 7.0880 9.4986 9.4986 9.6439 9.6439 10.2622 10.2622 10.5490 10.5490 k = 0.5000-0.8959-1.2937 ( 3824 PWs) bands (ev): -41.8212 -41.8212 -41.8162 -41.8162 -20.8656 -20.8656 -20.8534 -20.8534 -20.4153 -20.4153 -20.3565 -20.3565 -20.3236 -20.3236 -20.2746 -20.2746 -8.3482 -8.3482 -8.3217 -8.3217 1.7107 1.7107 1.9895 1.9895 2.6341 2.6341 2.7102 2.7102 3.0030 3.0030 3.0502 3.0502 3.3888 3.3888 3.4314 3.4314 7.0924 7.0924 9.5525 9.5525 9.6596 9.6596 10.2317 10.2317 10.5369 10.5369 k = 0.5000-0.8813-1.3183 ( 3822 PWs) bands (ev): -41.8208 -41.8208 -41.8164 -41.8164 -20.8652 -20.8652 -20.8538 -20.8538 -20.4159 -20.4159 -20.3549 -20.3549 -20.3255 -20.3255 -20.2757 -20.2757 -8.3442 -8.3442 -8.3206 -8.3206 1.7489 1.7489 2.0052 2.0052 2.5858 2.5858 2.6740 2.6740 3.0118 3.0118 3.0607 3.0607 3.3807 3.3807 3.4243 3.4243 7.0963 7.0963 9.6029 9.6029 9.6754 9.6754 10.2059 10.2059 10.5265 10.5265 k = 0.5000-0.8668-1.3429 ( 3826 PWs) bands (ev): -41.8204 -41.8204 -41.8166 -41.8166 -20.8649 -20.8649 -20.8542 -20.8542 -20.4165 -20.4165 -20.3534 -20.3534 -20.3273 -20.3273 -20.2766 -20.2766 -8.3405 -8.3405 -8.3199 -8.3199 1.7875 1.7875 2.0176 2.0176 2.5390 2.5390 2.6419 2.6419 3.0212 3.0212 3.0707 3.0707 3.3730 3.3730 3.4171 3.4171 7.0995 7.0995 9.6479 9.6479 9.6911 9.6911 10.1862 10.1862 10.5179 10.5179 k = 0.5000-0.8522-1.3674 ( 3822 PWs) bands (ev): -41.8200 -41.8200 -41.8169 -41.8169 -20.8646 -20.8646 -20.8546 -20.8546 -20.4170 -20.4170 -20.3519 -20.3519 -20.3290 -20.3290 -20.2773 -20.2773 -8.3369 -8.3369 -8.3195 -8.3195 1.8262 1.8262 2.0259 2.0259 2.4944 2.4944 2.6149 2.6149 3.0313 3.0313 3.0799 3.0799 3.3661 3.3661 3.4098 3.4098 7.1023 7.1023 9.6850 9.6850 9.7065 9.7065 10.1745 10.1745 10.5115 10.5115 k = 0.5000-0.8377-1.3920 ( 3824 PWs) bands (ev): -41.8196 -41.8196 -41.8172 -41.8172 -20.8643 -20.8643 -20.8549 -20.8549 -20.4174 -20.4174 -20.3506 -20.3506 -20.3306 -20.3306 -20.2780 -20.2780 -8.3337 -8.3337 -8.3195 -8.3195 1.8646 1.8646 2.0290 2.0290 2.4527 2.4527 2.5942 2.5942 3.0421 3.0421 3.0877 3.0877 3.3601 3.3601 3.4021 3.4021 7.1046 7.1046 9.7106 9.7106 9.7227 9.7227 10.1718 10.1718 10.5074 10.5074 k = 0.5000-0.8231-1.4166 ( 3820 PWs) bands (ev): -41.8192 -41.8192 -41.8175 -41.8175 -20.8641 -20.8641 -20.8552 -20.8552 -20.4177 -20.4177 -20.3494 -20.3494 -20.3319 -20.3319 -20.2784 -20.2784 -8.3308 -8.3308 -8.3199 -8.3199 1.9018 1.9018 2.0264 2.0264 2.4146 2.4146 2.5807 2.5807 3.0536 3.0536 3.0941 3.0941 3.3553 3.3553 3.3939 3.3939 7.1065 7.1065 9.7249 9.7249 9.7377 9.7377 10.1782 10.1782 10.5056 10.5056 k = 0.5000-0.8086-1.4412 ( 3826 PWs) bands (ev): -41.8188 -41.8188 -41.8178 -41.8178 -20.8639 -20.8639 -20.8555 -20.8555 -20.4179 -20.4179 -20.3486 -20.3486 -20.3328 -20.3328 -20.2787 -20.2787 -8.3283 -8.3283 -8.3208 -8.3208 1.9364 1.9364 2.0182 2.0182 2.3815 2.3815 2.5746 2.5746 3.0658 3.0658 3.0985 3.0985 3.3518 3.3518 3.3851 3.3851 7.1081 7.1081 9.7334 9.7334 9.7457 9.7457 10.1911 10.1911 10.5062 10.5066 k = 0.5000-0.7940-1.4657 ( 3832 PWs) bands (ev): -41.8184 -41.8184 -41.8181 -41.8181 -20.8638 -20.8638 -20.8556 -20.8556 -20.4180 -20.4180 -20.3482 -20.3482 -20.3333 -20.3333 -20.2789 -20.2789 -8.3264 -8.3264 -8.3218 -8.3218 1.9648 1.9648 2.0068 2.0068 2.3549 2.3549 2.5759 2.5759 3.0786 3.0786 3.1010 3.1010 3.3495 3.3495 3.3760 3.3760 7.1096 7.1096 9.7362 9.7362 9.7480 9.7480 10.2054 10.2054 10.4957 10.4963 k = 0.5000-0.7795-1.4903 ( 3830 PWs) bands (ev): -41.8185 -41.8185 -41.8181 -41.8181 -20.8638 -20.8638 -20.8556 -20.8556 -20.4180 -20.4180 -20.3482 -20.3482 -20.3333 -20.3333 -20.2789 -20.2789 -8.3260 -8.3260 -8.3222 -8.3222 1.9709 1.9709 2.0070 2.0070 2.3371 2.3371 2.5837 2.5837 3.0906 3.0906 3.1028 3.1028 3.3477 3.3477 3.3674 3.3674 7.1111 7.1111 9.7315 9.7315 9.7485 9.7485 10.2144 10.2144 10.4960 10.4962 k = 0.5000-0.7649-1.5149 ( 3822 PWs) bands (ev): -41.8189 -41.8189 -41.8177 -41.8177 -20.8639 -20.8639 -20.8554 -20.8554 -20.4179 -20.4179 -20.3487 -20.3487 -20.3327 -20.3327 -20.2787 -20.2787 -8.3277 -8.3277 -8.3216 -8.3216 1.9518 1.9518 2.0202 2.0202 2.3305 2.3305 2.5972 2.5972 3.0940 3.0940 3.1115 3.1115 3.3437 3.3437 3.3620 3.3620 7.1127 7.1127 9.7212 9.7212 9.7475 9.7475 10.2130 10.2130 10.5120 10.5125 k = 0.8247-0.7015-1.3992 ( 3822 PWs) bands (ev): -41.8189 -41.8189 -41.8177 -41.8177 -20.8639 -20.8639 -20.8554 -20.8554 -20.4179 -20.4179 -20.3487 -20.3487 -20.3327 -20.3327 -20.2787 -20.2787 -8.3277 -8.3277 -8.3216 -8.3216 1.9518 1.9518 2.0202 2.0202 2.3305 2.3305 2.5972 2.5972 3.0940 3.0940 3.1115 3.1115 3.3437 3.3437 3.3620 3.3620 7.1127 7.1127 9.7212 9.7212 9.7475 9.7475 10.2130 10.2130 10.5123 10.5138 k = 0.8192-0.6879-1.3745 ( 3820 PWs) bands (ev): -41.8193 -41.8193 -41.8174 -41.8174 -20.8641 -20.8641 -20.8551 -20.8551 -20.4176 -20.4176 -20.3494 -20.3494 -20.3318 -20.3318 -20.2784 -20.2784 -8.3306 -8.3306 -8.3208 -8.3208 1.9256 1.9256 2.0276 2.0276 2.3371 2.3371 2.6154 2.6154 3.0896 3.0896 3.1265 3.1265 3.3347 3.3347 3.3626 3.3626 7.1145 7.1145 9.7080 9.7080 9.7439 9.7439 10.2005 10.2005 10.5170 10.5173 k = 0.8137-0.6744-1.3498 ( 3818 PWs) bands (ev): -41.8198 -41.8198 -41.8170 -41.8170 -20.8644 -20.8644 -20.8546 -20.8546 -20.4173 -20.4173 -20.3504 -20.3504 -20.3306 -20.3306 -20.2779 -20.2779 -8.3342 -8.3342 -8.3204 -8.3204 1.8966 1.8966 2.0263 2.0263 2.3563 2.3563 2.6371 2.6371 3.0818 3.0818 3.1431 3.1431 3.3226 3.3226 3.3671 3.3671 7.1166 7.1166 9.6935 9.6935 9.7378 9.7378 10.1797 10.1797 10.5174 10.5174 k = 0.8082-0.6608-1.3251 ( 3822 PWs) bands (ev): -41.8203 -41.8203 -41.8167 -41.8167 -20.8648 -20.8648 -20.8540 -20.8540 -20.4169 -20.4169 -20.3514 -20.3514 -20.3292 -20.3292 -20.2772 -20.2772 -8.3384 -8.3384 -8.3205 -8.3205 1.8661 1.8661 2.0185 2.0185 2.3856 2.3856 2.6616 2.6616 3.0713 3.0713 3.1604 3.1604 3.3094 3.3094 3.3741 3.3741 7.1193 7.1193 9.6785 9.6785 9.7292 9.7292 10.1536 10.1536 10.5151 10.5151 k = 0.8027-0.6473-1.3004 ( 3826 PWs) bands (ev): -41.8208 -41.8208 -41.8164 -41.8164 -20.8652 -20.8652 -20.8532 -20.8532 -20.4163 -20.4163 -20.3525 -20.3525 -20.3277 -20.3277 -20.2764 -20.2764 -8.3434 -8.3434 -8.3211 -8.3211 1.8349 1.8349 2.0070 2.0070 2.4222 2.4222 2.6881 2.6881 3.0585 3.0585 3.1778 3.1778 3.2961 3.2961 3.3828 3.3828 7.1226 7.1226 9.6637 9.6637 9.7185 9.7185 10.1244 10.1244 10.5098 10.5098 k = 0.7972-0.6338-1.2757 ( 3824 PWs) bands (ev): -41.8213 -41.8213 -41.8162 -41.8162 -20.8656 -20.8656 -20.8522 -20.8522 -20.4157 -20.4157 -20.3535 -20.3535 -20.3261 -20.3261 -20.2755 -20.2755 -8.3489 -8.3489 -8.3223 -8.3223 1.8036 1.8036 1.9939 1.9939 2.4636 2.4636 2.7162 2.7162 3.0435 3.0435 3.1936 3.1936 3.2846 3.2846 3.3931 3.3931 7.1266 7.1266 9.6495 9.6495 9.7061 9.7061 10.0934 10.0934 10.5015 10.5015 k = 0.7917-0.6202-1.2510 ( 3824 PWs) bands (ev): -41.8219 -41.8219 -41.8159 -41.8159 -20.8660 -20.8660 -20.8512 -20.8512 -20.4150 -20.4150 -20.3544 -20.3544 -20.3245 -20.3245 -20.2744 -20.2744 -8.3552 -8.3552 -8.3240 -8.3240 1.7726 1.7726 1.9810 1.9810 2.5082 2.5082 2.7453 2.7453 3.0264 3.0264 3.2038 3.2038 3.2790 3.2790 3.4049 3.4049 7.1315 7.1315 9.6362 9.6362 9.6923 9.6923 10.0614 10.0614 10.4905 10.4905 k = 0.7862-0.6067-1.2263 ( 3836 PWs) bands (ev): -41.8225 -41.8225 -41.8157 -41.8157 -20.8664 -20.8664 -20.8500 -20.8500 -20.4142 -20.4142 -20.3553 -20.3553 -20.3228 -20.3228 -20.2732 -20.2732 -8.3621 -8.3621 -8.3264 -8.3264 1.7421 1.7421 1.9691 1.9691 2.5548 2.5548 2.7750 2.7750 3.0074 3.0074 3.2032 3.2032 3.2848 3.2848 3.4179 3.4179 7.1374 7.1374 9.6237 9.6237 9.6775 9.6775 10.0289 10.0289 10.4770 10.4770 k = 0.7807-0.5931-1.2016 ( 3838 PWs) bands (ev): -41.8231 -41.8231 -41.8154 -41.8154 -20.8668 -20.8668 -20.8487 -20.8487 -20.4133 -20.4133 -20.3560 -20.3560 -20.3211 -20.3211 -20.2719 -20.2719 -8.3697 -8.3697 -8.3293 -8.3293 1.7124 1.7124 1.9589 1.9589 2.6027 2.6027 2.8050 2.8050 2.9869 2.9869 3.1926 3.1926 3.3014 3.3014 3.4321 3.4321 7.1443 7.1443 9.6122 9.6122 9.6620 9.6620 9.9962 9.9962 10.4612 10.4612 k = 0.7752-0.5796-1.1769 ( 3836 PWs) bands (ev): -41.8237 -41.8237 -41.8152 -41.8152 -20.8672 -20.8672 -20.8472 -20.8472 -20.4124 -20.4124 -20.3566 -20.3566 -20.3193 -20.3193 -20.2705 -20.2705 -8.3779 -8.3779 -8.3330 -8.3330 1.6836 1.6836 1.9509 1.9509 2.6510 2.6510 2.8350 2.8350 2.9651 2.9651 3.1771 3.1771 3.3240 3.3240 3.4476 3.4476 7.1525 7.1525 9.6017 9.6017 9.6461 9.6461 9.9635 9.9635 10.4435 10.4435 k = 0.7697-0.5660-1.1522 ( 3836 PWs) bands (ev): -41.8244 -41.8244 -41.8151 -41.8151 -20.8675 -20.8675 -20.8457 -20.8457 -20.4114 -20.4114 -20.3570 -20.3570 -20.3175 -20.3175 -20.2689 -20.2689 -8.3868 -8.3868 -8.3372 -8.3372 1.6556 1.6556 1.9455 1.9455 2.6986 2.6986 2.8643 2.8643 2.9430 2.9430 3.1598 3.1598 3.3498 3.3498 3.4644 3.4644 7.1618 7.1618 9.5920 9.5920 9.6301 9.6301 9.9309 9.9309 10.4242 10.4242 k = 0.7642-0.5525-1.1275 ( 3828 PWs) bands (ev): -41.8251 -41.8251 -41.8149 -41.8149 -20.8677 -20.8677 -20.8439 -20.8439 -20.4104 -20.4104 -20.3572 -20.3572 -20.3156 -20.3156 -20.2673 -20.2673 -8.3964 -8.3964 -8.3421 -8.3421 1.6287 1.6287 1.9426 1.9426 2.7434 2.7434 2.8920 2.8920 2.9231 2.9231 3.1426 3.1426 3.3778 3.3778 3.4824 3.4824 7.1726 7.1726 9.5832 9.5832 9.6142 9.6142 9.8985 9.8985 10.4033 10.4033 k = 0.7587-0.5389-1.1028 ( 3832 PWs) bands (ev): -41.8259 -41.8259 -41.8148 -41.8148 -20.8679 -20.8679 -20.8421 -20.8421 -20.4093 -20.4093 -20.3573 -20.3573 -20.3137 -20.3137 -20.2656 -20.2656 -8.4067 -8.4067 -8.3476 -8.3476 1.6026 1.6026 1.9426 1.9426 2.7792 2.7792 2.9052 2.9052 2.9228 2.9228 3.1270 3.1270 3.4072 3.4072 3.5016 3.5016 7.1846 7.1846 9.5748 9.5748 9.5987 9.5987 9.8663 9.8663 10.3812 10.3812 k = 0.7532-0.5254-1.0782 ( 3828 PWs) bands (ev): -41.8266 -41.8266 -41.8147 -41.8147 -20.8680 -20.8680 -20.8401 -20.8401 -20.4083 -20.4083 -20.3571 -20.3571 -20.3118 -20.3118 -20.2639 -20.2639 -8.4175 -8.4175 -8.3538 -8.3538 1.5773 1.5773 1.9455 1.9455 2.7926 2.7926 2.9141 2.9141 2.9439 2.9439 3.1154 3.1154 3.4378 3.4378 3.5222 3.5222 7.1981 7.1981 9.5665 9.5665 9.5842 9.5842 9.8343 9.8343 10.3579 10.3579 k = 0.7477-0.5118-1.0535 ( 3826 PWs) bands (ev): -41.8274 -41.8274 -41.8146 -41.8146 -20.8681 -20.8681 -20.8380 -20.8380 -20.4072 -20.4072 -20.3568 -20.3568 -20.3098 -20.3098 -20.2621 -20.2621 -8.4290 -8.4290 -8.3607 -8.3607 1.5527 1.5527 1.9513 1.9513 2.7797 2.7797 2.9444 2.9444 2.9614 2.9614 3.1108 3.1108 3.4693 3.4693 3.5442 3.5442 7.2131 7.2131 9.5574 9.5574 9.5717 9.5717 9.8025 9.8025 10.3337 10.3337 k = 0.7422-0.4983-1.0288 ( 3818 PWs) bands (ev): -41.8282 -41.8282 -41.8146 -41.8146 -20.8681 -20.8681 -20.8357 -20.8357 -20.4061 -20.4061 -20.3562 -20.3562 -20.3077 -20.3077 -20.2602 -20.2602 -8.4411 -8.4411 -8.3681 -8.3681 1.5287 1.5287 1.9602 1.9602 2.7533 2.7533 2.9633 2.9633 2.9926 2.9926 3.1162 3.1162 3.5016 3.5016 3.5677 3.5677 7.2295 7.2295 9.5463 9.5463 9.5621 9.5621 9.7709 9.7709 10.3087 10.3087 k = 0.7367-0.4848-1.0041 ( 3824 PWs) bands (ev): -41.8291 -41.8291 -41.8145 -41.8145 -20.8680 -20.8680 -20.8334 -20.8334 -20.4051 -20.4051 -20.3554 -20.3554 -20.3056 -20.3056 -20.2583 -20.2583 -8.4538 -8.4538 -8.3762 -8.3762 1.5051 1.5051 1.9720 1.9720 2.7211 2.7211 2.9619 2.9619 3.0390 3.0390 3.1320 3.1320 3.5344 3.5344 3.5925 3.5925 7.2475 7.2475 9.5339 9.5339 9.5547 9.5547 9.7395 9.7395 10.2830 10.2830 k = 0.7312-0.4712-0.9794 ( 3826 PWs) bands (ev): -41.8299 -41.8299 -41.8145 -41.8145 -20.8679 -20.8679 -20.8309 -20.8309 -20.4042 -20.4042 -20.3544 -20.3544 -20.3034 -20.3034 -20.2564 -20.2564 -8.4670 -8.4670 -8.3850 -8.3850 1.4817 1.4817 1.9869 1.9869 2.6855 2.6855 2.9539 2.9539 3.0873 3.0873 3.1552 3.1552 3.5674 3.5674 3.6189 3.6189 7.2671 7.2671 9.5213 9.5213 9.5483 9.5483 9.7083 9.7083 10.2568 10.2568 k = 0.7257-0.4577-0.9547 ( 3824 PWs) bands (ev): -41.8308 -41.8308 -41.8146 -41.8146 -20.8677 -20.8677 -20.8283 -20.8283 -20.4032 -20.4032 -20.3532 -20.3532 -20.3012 -20.3012 -20.2544 -20.2544 -8.4807 -8.4807 -8.3943 -8.3943 1.4583 1.4583 2.0048 2.0048 2.6477 2.6477 2.9430 2.9430 3.1358 3.1358 3.1833 3.1833 3.6007 3.6007 3.6469 3.6469 7.2883 7.2883 9.5091 9.5091 9.5424 9.5424 9.6775 9.6775 10.2302 10.2302 k = 0.7202-0.4441-0.9300 ( 3834 PWs) bands (ev): -41.8317 -41.8317 -41.8146 -41.8146 -20.8675 -20.8675 -20.8256 -20.8256 -20.4023 -20.4023 -20.3517 -20.3517 -20.2989 -20.2989 -20.2525 -20.2525 -8.4949 -8.4949 -8.4041 -8.4041 1.4348 1.4348 2.0256 2.0256 2.6081 2.6081 2.9316 2.9316 3.1834 3.1834 3.2147 3.2147 3.6339 3.6339 3.6764 3.6764 7.3111 7.3111 9.4974 9.4974 9.5364 9.5364 9.6471 9.6471 10.2032 10.2032 k = 0.7147-0.4306-0.9053 ( 3848 PWs) bands (ev): -41.8326 -41.8326 -41.8147 -41.8147 -20.8673 -20.8673 -20.8228 -20.8228 -20.4015 -20.4015 -20.3500 -20.3500 -20.2965 -20.2965 -20.2506 -20.2506 -8.5096 -8.5096 -8.4146 -8.4146 1.4109 1.4109 2.0494 2.0494 2.5670 2.5670 2.9209 2.9209 3.2287 3.2287 3.2495 3.2495 3.6671 3.6671 3.7074 3.7074 7.3356 7.3356 9.4865 9.4865 9.5298 9.5298 9.6174 9.6174 10.1760 10.1760 k = 0.7092-0.4170-0.8806 ( 3848 PWs) bands (ev): -41.8335 -41.8335 -41.8148 -41.8148 -20.8669 -20.8669 -20.8199 -20.8199 -20.4006 -20.4006 -20.3481 -20.3481 -20.2941 -20.2941 -20.2486 -20.2486 -8.5247 -8.5247 -8.4255 -8.4255 1.3865 1.3865 2.0761 2.0761 2.5248 2.5248 2.9120 2.9120 3.2694 3.2694 3.2893 3.2893 3.7002 3.7002 3.7397 3.7397 7.3618 7.3618 9.4763 9.4763 9.5219 9.5219 9.5893 9.5893 10.1487 10.1487 k = 0.7036-0.4035-0.8559 ( 3850 PWs) bands (ev): -41.8345 -41.8345 -41.8149 -41.8149 -20.8666 -20.8666 -20.8168 -20.8168 -20.3998 -20.3998 -20.3460 -20.3460 -20.2915 -20.2915 -20.2467 -20.2467 -8.5401 -8.5401 -8.4369 -8.4369 1.3614 1.3614 2.1056 2.1056 2.4815 2.4815 2.9054 2.9054 3.3061 3.3061 3.3327 3.3327 3.7332 3.7332 3.7733 3.7733 7.3897 7.3897 9.4667 9.4667 9.5109 9.5109 9.5646 9.5646 10.1214 10.1214 k = 0.6981-0.3899-0.8312 ( 3856 PWs) bands (ev): -41.8354 -41.8354 -41.8150 -41.8150 -20.8661 -20.8661 -20.8138 -20.8138 -20.3990 -20.3990 -20.3437 -20.3437 -20.2890 -20.2890 -20.2448 -20.2448 -8.5559 -8.5559 -8.4488 -8.4488 1.3354 1.3354 2.1378 2.1378 2.4375 2.4375 2.9015 2.9015 3.3418 3.3418 3.3768 3.3768 3.7661 3.7661 3.8078 3.8078 7.4194 7.4194 9.4579 9.4579 9.4940 9.4940 9.5460 9.5460 10.0941 10.0941 k = 0.6926-0.3764-0.8065 ( 3854 PWs) bands (ev): -41.8364 -41.8364 -41.8152 -41.8152 -20.8657 -20.8657 -20.8106 -20.8106 -20.3982 -20.3982 -20.3412 -20.3412 -20.2863 -20.2863 -20.2429 -20.2429 -8.5720 -8.5720 -8.4610 -8.4610 1.3085 1.3085 2.1725 2.1725 2.3930 2.3930 2.9007 2.9007 3.3773 3.3773 3.4202 3.4202 3.7988 3.7988 3.8434 3.8434 7.4509 7.4509 9.4494 9.4494 9.4711 9.4711 9.5340 9.5340 10.0669 10.0669 k = 0.6871-0.3628-0.7818 ( 3852 PWs) bands (ev): -41.8374 -41.8374 -41.8153 -41.8153 -20.8652 -20.8652 -20.8073 -20.8073 -20.3974 -20.3974 -20.3386 -20.3386 -20.2835 -20.2835 -20.2411 -20.2411 -8.5883 -8.5883 -8.4737 -8.4737 1.2806 1.2806 2.2092 2.2092 2.3486 2.3486 2.9031 2.9031 3.4129 3.4129 3.4624 3.4624 3.8310 3.8310 3.8798 3.8798 7.4842 7.4842 9.4388 9.4388 9.4474 9.4474 9.5260 9.5260 10.0398 10.0398 k = 0.6816-0.3493-0.7571 ( 3858 PWs) bands (ev): -41.8383 -41.8383 -41.8155 -41.8155 -20.8647 -20.8647 -20.8040 -20.8040 -20.3966 -20.3966 -20.3358 -20.3358 -20.2807 -20.2807 -20.2392 -20.2392 -8.6049 -8.6049 -8.4867 -8.4867 1.2515 1.2515 2.2448 2.2448 2.3074 2.3074 2.9090 2.9090 3.4487 3.4487 3.5033 3.5033 3.8627 3.8627 3.9171 3.9171 7.5193 7.5193 9.4138 9.4138 9.4370 9.4370 9.5200 9.5200 10.0130 10.0130 k = 0.6761-0.3358-0.7324 ( 3858 PWs) bands (ev): -41.8393 -41.8393 -41.8157 -41.8157 -20.8642 -20.8642 -20.8007 -20.8007 -20.3959 -20.3959 -20.3328 -20.3328 -20.2778 -20.2778 -20.2374 -20.2374 -8.6216 -8.6216 -8.5000 -8.5000 1.2214 1.2214 2.2446 2.2446 2.3043 2.3043 2.9184 2.9184 3.4845 3.4845 3.5429 3.5429 3.8936 3.8936 3.9550 3.9550 7.5563 7.5563 9.3852 9.3852 9.4305 9.4305 9.5151 9.5151 9.9864 9.9864 k = 0.6706-0.3222-0.7077 ( 3862 PWs) bands (ev): -41.8403 -41.8403 -41.8159 -41.8159 -20.8637 -20.8637 -20.7973 -20.7973 -20.3951 -20.3951 -20.3298 -20.3298 -20.2749 -20.2749 -20.2357 -20.2357 -8.6384 -8.6384 -8.5135 -8.5135 1.1901 1.1901 2.2035 2.2035 2.3443 2.3443 2.9315 2.9315 3.5204 3.5204 3.5810 3.5810 3.9236 3.9236 3.9936 3.9936 7.5951 7.5951 9.3563 9.3563 9.4247 9.4247 9.5108 9.5108 9.9600 9.9600 k = 0.6651-0.3087-0.6830 ( 3868 PWs) bands (ev): -41.8413 -41.8413 -41.8162 -41.8162 -20.8631 -20.8631 -20.7939 -20.7939 -20.3943 -20.3943 -20.3266 -20.3266 -20.2719 -20.2719 -20.2340 -20.2340 -8.6552 -8.6552 -8.5273 -8.5273 1.1579 1.1579 2.1582 2.1582 2.3908 2.3908 2.9480 2.9480 3.5562 3.5562 3.6177 3.6177 3.9526 3.9526 4.0325 4.0325 7.6357 7.6357 9.3278 9.3278 9.4194 9.4194 9.5071 9.5071 9.9340 9.9340 k = 0.6596-0.2951-0.6583 ( 3866 PWs) bands (ev): -41.8423 -41.8423 -41.8164 -41.8164 -20.8626 -20.8626 -20.7905 -20.7905 -20.3935 -20.3935 -20.3234 -20.3234 -20.2689 -20.2689 -20.2323 -20.2323 -8.6721 -8.6721 -8.5412 -8.5412 1.1248 1.1248 2.1125 2.1125 2.4402 2.4402 2.9681 2.9681 3.5918 3.5918 3.6529 3.6529 3.9806 3.9806 4.0717 4.0717 7.6782 7.6782 9.2998 9.2998 9.4146 9.4146 9.5038 9.5038 9.9084 9.9084 k = 0.6541-0.2816-0.6336 ( 3866 PWs) bands (ev): -41.8433 -41.8433 -41.8167 -41.8167 -20.8621 -20.8621 -20.7871 -20.7871 -20.3926 -20.3926 -20.3200 -20.3200 -20.2658 -20.2658 -20.2306 -20.2306 -8.6889 -8.6889 -8.5552 -8.5552 1.0909 1.0909 2.0667 2.0667 2.4919 2.4919 2.9916 2.9916 3.6272 3.6272 3.6868 3.6868 4.0074 4.0074 4.1108 4.1108 7.7225 7.7225 9.2726 9.2726 9.4101 9.4101 9.5008 9.5008 9.8831 9.8831 k = 0.6486-0.2680-0.6089 ( 3864 PWs) bands (ev): -41.8443 -41.8443 -41.8170 -41.8170 -20.8616 -20.8616 -20.7837 -20.7837 -20.3917 -20.3917 -20.3166 -20.3166 -20.2627 -20.2627 -20.2290 -20.2290 -8.7057 -8.7057 -8.5693 -8.5693 1.0564 1.0564 2.0213 2.0213 2.5457 2.5457 3.0184 3.0184 3.6621 3.6621 3.7193 3.7193 4.0330 4.0330 4.1495 4.1495 7.7686 7.7686 9.2462 9.2463 9.4059 9.4059 9.4982 9.4983 9.8582 9.8582 k = 0.6431-0.2545-0.5842 ( 3864 PWs) bands (ev): -41.8452 -41.8452 -41.8173 -41.8173 -20.8611 -20.8611 -20.7803 -20.7803 -20.3909 -20.3909 -20.3131 -20.3131 -20.2596 -20.2596 -20.2273 -20.2273 -8.7223 -8.7223 -8.5834 -8.5834 1.0215 1.0215 1.9763 1.9763 2.6015 2.6015 3.0483 3.0483 3.6966 3.6966 3.7504 3.7504 4.0574 4.0574 4.1877 4.1877 7.8165 7.8165 9.2210 9.2210 9.4019 9.4019 9.4959 9.4959 9.8338 9.8338 k = 0.6376-0.2409-0.5595 ( 3862 PWs) bands (ev): -41.8462 -41.8462 -41.8175 -41.8175 -20.8606 -20.8606 -20.7770 -20.7770 -20.3900 -20.3900 -20.3096 -20.3096 -20.2565 -20.2565 -20.2258 -20.2258 -8.7387 -8.7387 -8.5975 -8.5975 0.9862 0.9862 1.9318 1.9318 2.6590 2.6590 3.0811 3.0811 3.7304 3.7304 3.7801 3.7801 4.0806 4.0806 4.2249 4.2249 7.8661 7.8661 9.1970 9.1970 9.3979 9.3979 9.4939 9.4939 9.8098 9.8098 k = 0.6321-0.2274-0.5348 ( 3868 PWs) bands (ev): -41.8471 -41.8471 -41.8178 -41.8178 -20.8602 -20.8602 -20.7737 -20.7737 -20.3891 -20.3891 -20.3061 -20.3061 -20.2535 -20.2535 -20.2242 -20.2242 -8.7550 -8.7550 -8.6115 -8.6115 0.9508 0.9508 1.8881 1.8881 2.7182 2.7182 3.1166 3.1166 3.7634 3.7634 3.8086 3.8086 4.1026 4.1026 4.2609 4.2609 7.9172 7.9172 9.1743 9.1743 9.3941 9.3941 9.4919 9.4919 9.7862 9.7862 k = 0.6266-0.2138-0.5102 ( 3868 PWs) bands (ev): -41.8481 -41.8481 -41.8181 -41.8181 -20.8598 -20.8598 -20.7705 -20.7705 -20.3882 -20.3882 -20.3025 -20.3025 -20.2504 -20.2504 -20.2226 -20.2226 -8.7709 -8.7709 -8.6253 -8.6253 0.9155 0.9155 1.8453 1.8453 2.7789 2.7789 3.1546 3.1546 3.7954 3.7954 3.8358 3.8358 4.1233 4.1233 4.2955 4.2955 7.9699 7.9699 9.1532 9.1532 9.3901 9.3901 9.4901 9.4901 9.7632 9.7632 k = 0.6211-0.2003-0.4855 ( 3870 PWs) bands (ev): -41.8490 -41.8490 -41.8184 -41.8184 -20.8594 -20.8594 -20.7673 -20.7673 -20.3873 -20.3873 -20.2989 -20.2989 -20.2475 -20.2475 -20.2210 -20.2210 -8.7866 -8.7866 -8.6390 -8.6390 0.8803 0.8803 1.8035 1.8035 2.8409 2.8409 3.1948 3.1948 3.8264 3.8264 3.8618 3.8618 4.1429 4.1429 4.3283 4.3283 8.0239 8.0239 9.1336 9.1336 9.3861 9.3861 9.4882 9.4882 9.7407 9.7407 k = 0.6156-0.1868-0.4608 ( 3870 PWs) bands (ev): -41.8499 -41.8499 -41.8187 -41.8187 -20.8590 -20.8590 -20.7643 -20.7643 -20.3863 -20.3863 -20.2953 -20.2953 -20.2446 -20.2446 -20.2194 -20.2194 -8.8018 -8.8018 -8.6525 -8.6525 0.8456 0.8456 1.7627 1.7627 2.9041 2.9041 3.2371 3.2371 3.8560 3.8560 3.8867 3.8867 4.1612 4.1612 4.3592 4.3592 8.0793 8.0793 9.1157 9.1157 9.3819 9.3819 9.4862 9.4862 9.7188 9.7188 k = 0.6101-0.1732-0.4361 ( 3866 PWs) bands (ev): -41.8507 -41.8507 -41.8190 -41.8190 -20.8587 -20.8587 -20.7613 -20.7613 -20.3854 -20.3854 -20.2918 -20.2918 -20.2419 -20.2419 -20.2177 -20.2177 -8.8167 -8.8167 -8.6656 -8.6656 0.8114 0.8114 1.7232 1.7232 2.9683 2.9683 3.2812 3.2812 3.8842 3.8842 3.9104 3.9104 4.1784 4.1784 4.3878 4.3878 8.1358 8.1358 9.0995 9.0995 9.3775 9.3775 9.4839 9.4839 9.6975 9.6975 k = 0.6046-0.1597-0.4114 ( 3860 PWs) bands (ev): -41.8516 -41.8516 -41.8193 -41.8193 -20.8584 -20.8584 -20.7584 -20.7584 -20.3845 -20.3845 -20.2882 -20.2882 -20.2394 -20.2394 -20.2160 -20.2160 -8.8311 -8.8311 -8.6785 -8.6785 0.7779 0.7779 1.6849 1.6849 3.0335 3.0335 3.3268 3.3268 3.9108 3.9108 3.9332 3.9332 4.1943 4.1943 4.4139 4.4139 8.1932 8.1932 9.0852 9.0852 9.3728 9.3728 9.4812 9.4812 9.6768 9.6768 k = 0.5991-0.1461-0.3867 ( 3866 PWs) bands (ev): -41.8524 -41.8524 -41.8196 -41.8196 -20.8582 -20.8582 -20.7556 -20.7556 -20.3836 -20.3836 -20.2847 -20.2847 -20.2371 -20.2371 -20.2142 -20.2142 -8.8451 -8.8451 -8.6910 -8.6910 0.7453 0.7453 1.6480 1.6480 3.0992 3.0992 3.3736 3.3736 3.9353 3.9353 3.9551 3.9551 4.2091 4.2091 4.4373 4.4373 8.2513 8.2513 9.0727 9.0727 9.3676 9.3676 9.4781 9.4781 9.6569 9.6569 k = 0.5936-0.1326-0.3620 ( 3868 PWs) bands (ev): -41.8531 -41.8531 -41.8199 -41.8199 -20.8579 -20.8579 -20.7530 -20.7530 -20.3827 -20.3827 -20.2813 -20.2813 -20.2350 -20.2350 -20.2123 -20.2123 -8.8585 -8.8585 -8.7031 -8.7031 0.7137 0.7137 1.6126 1.6126 3.1656 3.1656 3.4215 3.4215 3.9578 3.9578 3.9762 3.9762 4.2225 4.2225 4.4576 4.4576 8.3100 8.3100 9.0620 9.0620 9.3621 9.3621 9.4745 9.4745 9.6377 9.6377 k = 0.5881-0.1190-0.3373 ( 3866 PWs) bands (ev): -41.8539 -41.8539 -41.8202 -41.8202 -20.8577 -20.8577 -20.7504 -20.7504 -20.3819 -20.3819 -20.2779 -20.2779 -20.2332 -20.2332 -20.2103 -20.2103 -8.8714 -8.8714 -8.7148 -8.7148 0.6832 0.6832 1.5787 1.5787 3.2322 3.2322 3.4702 3.4702 3.9781 3.9781 3.9966 3.9966 4.2347 4.2347 4.4748 4.4748 8.3689 8.3689 9.0531 9.0531 9.3560 9.3560 9.4704 9.4704 9.6194 9.6194 k = 0.5826-0.1055-0.3126 ( 3866 PWs) bands (ev): -41.8546 -41.8546 -41.8205 -41.8205 -20.8576 -20.8576 -20.7480 -20.7480 -20.3811 -20.3811 -20.2746 -20.2746 -20.2316 -20.2316 -20.2082 -20.2082 -8.8837 -8.8837 -8.7259 -8.7259 0.6539 0.6539 1.5465 1.5465 3.2991 3.2991 3.5193 3.5193 3.9965 3.9965 4.0160 4.0160 4.2455 4.2455 4.4886 4.4886 8.4279 8.4279 9.0460 9.0460 9.3495 9.3495 9.4660 9.4660 9.6019 9.6019 k = 0.5771-0.0919-0.2879 ( 3866 PWs) bands (ev): -41.8553 -41.8553 -41.8207 -41.8207 -20.8574 -20.8574 -20.7457 -20.7457 -20.3803 -20.3803 -20.2714 -20.2714 -20.2303 -20.2303 -20.2061 -20.2061 -8.8953 -8.8953 -8.7366 -8.7366 0.6261 0.6261 1.5160 1.5160 3.3658 3.3658 3.5687 3.5687 4.0131 4.0131 4.0342 4.0342 4.2548 4.2548 4.4989 4.4989 8.4864 8.4864 9.0404 9.0404 9.3425 9.3425 9.4615 9.4615 9.5854 9.5854 k = 0.5716-0.0784-0.2632 ( 3864 PWs) bands (ev): -41.8559 -41.8559 -41.8210 -41.8210 -20.8573 -20.8573 -20.7436 -20.7436 -20.3795 -20.3795 -20.2683 -20.2683 -20.2292 -20.2292 -20.2039 -20.2039 -8.9063 -8.9063 -8.7467 -8.7467 0.5997 0.5997 1.4873 1.4873 3.4323 3.4323 3.6181 3.6181 4.0281 4.0281 4.0511 4.0511 4.2626 4.2626 4.5054 4.5054 8.5444 8.5444 9.0362 9.0362 9.3351 9.3351 9.4570 9.4570 9.5697 9.5697 k = 0.5660-0.0648-0.2385 ( 3864 PWs) bands (ev): -41.8565 -41.8565 -41.8212 -41.8212 -20.8572 -20.8572 -20.7416 -20.7416 -20.3788 -20.3788 -20.2652 -20.2652 -20.2284 -20.2284 -20.2018 -20.2018 -8.9166 -8.9166 -8.7561 -8.7561 0.5749 0.5749 1.4605 1.4605 3.4982 3.4982 3.6673 3.6673 4.0416 4.0416 4.0666 4.0666 4.2686 4.2686 4.5082 4.5082 8.6014 8.6014 9.0333 9.0333 9.3272 9.3272 9.4530 9.4530 9.5550 9.5550 k = 0.5605-0.0513-0.2138 ( 3858 PWs) bands (ev): -41.8571 -41.8571 -41.8214 -41.8214 -20.8572 -20.8572 -20.7397 -20.7397 -20.3781 -20.3781 -20.2623 -20.2623 -20.2277 -20.2277 -20.1997 -20.1997 -8.9261 -8.9261 -8.7650 -8.7650 0.5517 0.5517 1.4355 1.4355 3.5634 3.5634 3.7161 3.7161 4.0539 4.0539 4.0806 4.0806 4.2729 4.2729 4.5070 4.5070 8.6570 8.6570 9.0315 9.0315 9.3189 9.3189 9.4495 9.4495 9.5412 9.5412 k = 0.5550-0.0377-0.1891 ( 3856 PWs) bands (ev): -41.8576 -41.8576 -41.8216 -41.8216 -20.8571 -20.8571 -20.7380 -20.7380 -20.3775 -20.3775 -20.2595 -20.2595 -20.2273 -20.2273 -20.1976 -20.1976 -8.9350 -8.9350 -8.7732 -8.7732 0.5303 0.5303 1.4126 1.4126 3.6274 3.6274 3.7641 3.7641 4.0649 4.0649 4.0932 4.0932 4.2752 4.2752 4.5019 4.5019 8.7108 8.7108 9.0304 9.0304 9.3104 9.3104 9.4469 9.4469 9.5284 9.5284 k = 0.5495-0.0242-0.1644 ( 3850 PWs) bands (ev): -41.8581 -41.8581 -41.8218 -41.8218 -20.8570 -20.8570 -20.7365 -20.7365 -20.3769 -20.3769 -20.2569 -20.2569 -20.2270 -20.2270 -20.1957 -20.1957 -8.9430 -8.9430 -8.7806 -8.7806 0.5107 0.5107 1.3916 1.3916 3.6900 3.6900 3.8113 3.8113 4.0746 4.0746 4.1044 4.1044 4.2754 4.2754 4.4928 4.4928 8.7623 8.7623 9.0300 9.0300 9.3018 9.3018 9.4453 9.4453 9.5164 9.5164 k = 0.5440-0.0107-0.1397 ( 3848 PWs) bands (ev): -41.8585 -41.8585 -41.8220 -41.8220 -20.8570 -20.8570 -20.7351 -20.7351 -20.3763 -20.3763 -20.2544 -20.2544 -20.2269 -20.2269 -20.1939 -20.1939 -8.9503 -8.9503 -8.7874 -8.7874 0.4930 0.4930 1.3728 1.3728 3.7507 3.7507 3.8575 3.8575 4.0832 4.0832 4.1144 4.1144 4.2734 4.2734 4.4798 4.4798 8.8111 8.8111 9.0300 9.0300 9.2931 9.2931 9.4447 9.4447 9.5053 9.5053 k = 0.5385 0.0029-0.1150 ( 3852 PWs) bands (ev): -41.8589 -41.8589 -41.8222 -41.8222 -20.8570 -20.8570 -20.7339 -20.7339 -20.3759 -20.3759 -20.2521 -20.2521 -20.2269 -20.2269 -20.1923 -20.1923 -8.9568 -8.9568 -8.7934 -8.7934 0.4773 0.4773 1.3560 1.3560 3.8089 3.8089 3.9026 3.9026 4.0907 4.0907 4.1233 4.1233 4.2692 4.2692 4.4630 4.4630 8.8567 8.8567 9.0302 9.0302 9.2846 9.2846 9.4451 9.4451 9.4951 9.4951 k = 0.5330 0.0164-0.0903 ( 3852 PWs) bands (ev): -41.8592 -41.8592 -41.8223 -41.8223 -20.8570 -20.8570 -20.7328 -20.7328 -20.3755 -20.3755 -20.2500 -20.2500 -20.2270 -20.2270 -20.1909 -20.1909 -8.9624 -8.9624 -8.7987 -8.7987 0.4635 0.4635 1.3415 1.3415 3.8639 3.8639 3.9466 3.9466 4.0971 4.0971 4.1312 4.1312 4.2627 4.2627 4.4424 4.4424 8.8984 8.8984 9.0306 9.0306 9.2763 9.2763 9.4464 9.4464 9.4858 9.4858 k = 0.5275 0.0300-0.0656 ( 3848 PWs) bands (ev): -41.8595 -41.8595 -41.8224 -41.8224 -20.8570 -20.8570 -20.7319 -20.7319 -20.3751 -20.3751 -20.2481 -20.2481 -20.2272 -20.2272 -20.1896 -20.1896 -8.9672 -8.9672 -8.8032 -8.8032 0.4518 0.4518 1.3291 1.3291 3.9147 3.9147 3.9894 3.9894 4.1028 4.1028 4.1385 4.1385 4.2539 4.2539 4.4184 4.4184 8.9357 8.9357 9.0311 9.0311 9.2684 9.2684 9.4483 9.4483 9.4775 9.4775 k = 0.5220 0.0435-0.0409 ( 3840 PWs) bands (ev): -41.8597 -41.8597 -41.8225 -41.8225 -20.8570 -20.8570 -20.7311 -20.7311 -20.3748 -20.3748 -20.2465 -20.2465 -20.2274 -20.2274 -20.1885 -20.1885 -8.9711 -8.9711 -8.8069 -8.8069 0.4422 0.4422 1.3189 1.3189 3.9601 3.9601 4.0299 4.0299 4.1084 4.1084 4.1455 4.1455 4.2432 4.2432 4.3912 4.3912 8.9679 8.9679 9.0315 9.0315 9.2612 9.2612 9.4505 9.4505 9.4703 9.4703 k = 0.5165 0.0571-0.0162 ( 3834 PWs) bands (ev): -41.8599 -41.8599 -41.8226 -41.8226 -20.8569 -20.8569 -20.7305 -20.7305 -20.3746 -20.3746 -20.2451 -20.2451 -20.2277 -20.2277 -20.1877 -20.1877 -8.9742 -8.9742 -8.8098 -8.8098 0.4347 0.4347 1.3110 1.3110 3.9993 3.9993 4.0638 4.0638 4.1173 4.1173 4.1529 4.1529 4.2309 4.2309 4.3616 4.3616 8.9941 8.9941 9.0321 9.0321 9.2549 9.2549 9.4527 9.4527 9.4644 9.4644 k = 0.5110 0.0706 0.0085 ( 3836 PWs) bands (ev): -41.8600 -41.8600 -41.8227 -41.8227 -20.8569 -20.8569 -20.7301 -20.7301 -20.3744 -20.3744 -20.2441 -20.2441 -20.2279 -20.2279 -20.1871 -20.1871 -8.9764 -8.9764 -8.8119 -8.8119 0.4293 0.4293 1.3053 1.3053 4.0314 4.0314 4.0811 4.0811 4.1356 4.1356 4.1626 4.1626 4.2182 4.2182 4.3310 4.3310 9.0132 9.0132 9.0331 9.0331 9.2498 9.2498 9.4545 9.4545 9.4599 9.4599 k = 0.5055 0.0842 0.0332 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7299 -20.7299 -20.3743 -20.3743 -20.2434 -20.2434 -20.2281 -20.2281 -20.1867 -20.1867 -8.9777 -8.9777 -8.8131 -8.8131 0.4260 0.4260 1.3019 1.3019 4.0559 4.0559 4.0821 4.0821 4.1534 4.1534 4.1783 4.1783 4.2074 4.2074 4.3032 4.3032 9.0235 9.0235 9.0353 9.0353 9.2465 9.2465 9.4556 9.4556 9.4573 9.4573 k = 0.5000 0.0977 0.0578 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -8.9782 -8.9782 -8.8135 -8.8135 0.4250 0.4250 1.3007 1.3007 4.0700 4.0700 4.0761 4.0761 4.1592 4.1592 4.1882 4.1882 4.2038 4.2038 4.2899 4.2899 9.0260 9.0260 9.0370 9.0370 9.2453 9.2453 9.4557 9.4557 9.4567 9.4567 k = 0.5000 0.0977 0.0578 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -8.9782 -8.9782 -8.8135 -8.8135 0.4250 0.4250 1.3007 1.3007 4.0700 4.0700 4.0761 4.0761 4.1592 4.1592 4.1882 4.1882 4.2038 4.2038 4.2899 4.2899 9.0260 9.0260 9.0370 9.0370 9.2453 9.2453 9.4557 9.4557 9.4567 9.4567 k = 0.4722 0.0923 0.0546 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -8.9784 -8.9784 -8.8133 -8.8133 0.4228 0.4228 1.3046 1.3046 4.0602 4.0602 4.0798 4.0798 4.1586 4.1586 4.1751 4.1751 4.1888 4.1888 4.3235 4.3235 9.0260 9.0260 9.0370 9.0370 9.2446 9.2446 9.4554 9.4554 9.4564 9.4564 k = 0.4444 0.0868 0.0514 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -8.9789 -8.9789 -8.8127 -8.8127 0.4166 0.4166 1.3159 1.3159 4.0336 4.0336 4.0820 4.0820 4.1379 4.1379 4.1570 4.1570 4.1905 4.1905 4.3812 4.3812 9.0259 9.0259 9.0370 9.0370 9.2426 9.2426 9.4546 9.4546 9.4556 9.4556 k = 0.4167 0.0814 0.0482 ( 3845 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2433 -20.2433 -20.2282 -20.2282 -20.1866 -20.1866 -8.9798 -8.9798 -8.8117 -8.8117 0.4067 0.4067 1.3342 1.3342 3.9858 3.9858 4.0810 4.0810 4.1196 4.1196 4.1546 4.1546 4.1929 4.1929 4.4420 4.4420 9.0259 9.0259 9.0369 9.0369 9.2392 9.2392 9.4533 9.4533 9.4543 9.4543 k = 0.3889 0.0760 0.0450 ( 3854 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2433 -20.2433 -20.2282 -20.2282 -20.1866 -20.1866 -8.9811 -8.9811 -8.8104 -8.8104 0.3938 0.3938 1.3587 1.3588 3.9247 3.9247 4.0776 4.0776 4.1149 4.1149 4.1519 4.1519 4.1958 4.1958 4.5023 4.5023 9.0258 9.0258 9.0368 9.0368 9.2346 9.2346 9.4516 9.4516 9.4525 9.4525 k = 0.3611 0.0706 0.0418 ( 3860 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2433 -20.2433 -20.2282 -20.2282 -20.1866 -20.1866 -8.9825 -8.9825 -8.8088 -8.8088 0.3786 0.3786 1.3887 1.3887 3.8586 3.8586 4.0736 4.0736 4.1153 4.1153 4.1489 4.1489 4.1989 4.1989 4.5608 4.5608 9.0257 9.0257 9.0367 9.0367 9.2290 9.2290 9.4494 9.4494 9.4503 9.4503 k = 0.3333 0.0651 0.0386 ( 3866 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2433 -20.2433 -20.2282 -20.2282 -20.1866 -20.1866 -8.9842 -8.9842 -8.8070 -8.8070 0.3618 0.3618 1.4230 1.4230 3.7908 3.7908 4.0697 4.0697 4.1174 4.1174 4.1458 4.1458 4.2021 4.2021 4.6170 4.6170 9.0256 9.0256 9.0365 9.0365 9.2225 9.2225 9.4469 9.4469 9.4478 9.4478 k = 0.3056 0.0597 0.0354 ( 3866 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2433 -20.2433 -20.2282 -20.2282 -20.1867 -20.1867 -8.9860 -8.9860 -8.8051 -8.8051 0.3442 0.3442 1.4608 1.4608 3.7231 3.7231 4.0660 4.0660 4.1200 4.1200 4.1428 4.1428 4.2053 4.2053 4.6704 4.6704 9.0254 9.0254 9.0364 9.0364 9.2154 9.2154 9.4441 9.4441 9.4450 9.4450 k = 0.2778 0.0543 0.0321 ( 3866 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7299 -20.7299 -20.3744 -20.3744 -20.2433 -20.2433 -20.2282 -20.2282 -20.1867 -20.1867 -8.9879 -8.9879 -8.8030 -8.8030 0.3265 0.3265 1.5009 1.5009 3.6563 3.6563 4.0626 4.0626 4.1229 4.1229 4.1398 4.1398 4.2084 4.2084 4.7205 4.7205 9.0253 9.0253 9.0363 9.0363 9.2077 9.2077 9.4412 9.4412 9.4420 9.4420 k = 0.2500 0.0489 0.0289 ( 3869 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9898 -8.9898 -8.8010 -8.8010 0.3090 0.3090 1.5424 1.5424 3.5913 3.5913 4.0595 4.0595 4.1257 4.1257 4.1371 4.1371 4.2113 4.2113 4.7669 4.7669 9.0252 9.0252 9.0361 9.0361 9.1998 9.1998 9.4381 9.4381 9.4390 9.4390 k = 0.2222 0.0434 0.0257 ( 3869 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9917 -8.9917 -8.7989 -8.7989 0.2923 0.2923 1.5843 1.5843 3.5290 3.5290 4.0567 4.0567 4.1283 4.1283 4.1345 4.1345 4.2140 4.2140 4.8095 4.8095 9.0250 9.0250 9.0359 9.0359 9.1919 9.1919 9.4351 9.4351 9.4359 9.4359 k = 0.1944 0.0380 0.0225 ( 3869 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9935 -8.9935 -8.7970 -8.7970 0.2769 0.2769 1.6255 1.6255 3.4702 3.4702 4.0541 4.0541 4.1308 4.1308 4.1322 4.1322 4.2165 4.2165 4.8478 4.8478 9.0249 9.0249 9.0358 9.0358 9.1842 9.1842 9.4322 9.4322 9.4330 9.4330 k = 0.1667 0.0326 0.0193 ( 3857 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -8.9951 -8.9951 -8.7952 -8.7952 0.2629 0.2629 1.6650 1.6650 3.4159 3.4159 4.0519 4.0519 4.1302 4.1302 4.1329 4.1329 4.2187 4.2187 4.8816 4.8816 9.0248 9.0248 9.0357 9.0357 9.1770 9.1770 9.4295 9.4295 9.4302 9.4302 k = 0.1389 0.0271 0.0161 ( 3863 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9966 -8.9966 -8.7936 -8.7936 0.2507 0.2507 1.7013 1.7013 3.3670 3.3670 4.0501 4.0501 4.1284 4.1284 4.1348 4.1348 4.2206 4.2206 4.9106 4.9106 9.0247 9.0247 9.0356 9.0356 9.1705 9.1705 9.4270 9.4270 9.4277 9.4277 k = 0.1111 0.0217 0.0129 ( 3863 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9978 -8.9978 -8.7923 -8.7923 0.2405 0.2405 1.7335 1.7335 3.3248 3.3248 4.0485 4.0485 4.1269 4.1269 4.1364 4.1364 4.2222 4.2222 4.9347 4.9347 9.0246 9.0246 9.0355 9.0355 9.1648 9.1648 9.4248 9.4248 9.4256 9.4256 k = 0.0833 0.0163 0.0096 ( 3878 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9988 -8.9988 -8.7912 -8.7912 0.2323 0.2323 1.7601 1.7601 3.2903 3.2903 4.0473 4.0473 4.1258 4.1258 4.1376 4.1376 4.2235 4.2235 4.9536 4.9536 9.0246 9.0246 9.0354 9.0354 9.1602 9.1602 9.4231 9.4231 9.4238 9.4238 k = 0.0556 0.0109 0.0064 ( 3878 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2283 -20.2283 -20.1866 -20.1866 -8.9995 -8.9995 -8.7904 -8.7904 0.2264 0.2264 1.7802 1.7802 3.2647 3.2647 4.0464 4.0464 4.1249 4.1249 4.1385 4.1385 4.2244 4.2244 4.9672 4.9672 9.0245 9.0245 9.0353 9.0353 9.1568 9.1568 9.4218 9.4218 9.4225 9.4225 k = 0.0278 0.0054 0.0032 ( 3872 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -9.0000 -9.0000 -8.7899 -8.7899 0.2229 0.2229 1.7927 1.7927 3.2490 3.2490 4.0459 4.0459 4.1244 4.1244 4.1391 4.1391 4.2250 4.2250 4.9754 4.9754 9.0245 9.0245 9.0354 9.0354 9.1548 9.1548 9.4210 9.4210 9.4217 9.4218 k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8572 -20.8572 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2282 -20.2282 -20.1867 -20.1867 -9.0001 -9.0001 -8.7898 -8.7898 0.2217 0.2217 1.7969 1.7969 3.2436 3.2436 4.0457 4.0457 4.1243 4.1243 4.1393 4.1393 4.2251 4.2251 4.9781 4.9781 9.0245 9.0245 9.0353 9.0353 9.1541 9.1541 9.4208 9.4208 9.4215 9.4215 k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8572 -20.8572 -20.7298 -20.7298 -20.3744 -20.3744 -20.2432 -20.2432 -20.2282 -20.2282 -20.1867 -20.1867 -9.0001 -9.0001 -8.7898 -8.7898 0.2217 0.2217 1.7969 1.7969 3.2436 3.2436 4.0457 4.0457 4.1243 4.1243 4.1393 4.1393 4.2251 4.2251 4.9781 4.9781 9.0245 9.0245 9.0353 9.0353 9.1541 9.1541 9.4208 9.4208 9.4215 9.4215 k = 0.0055-0.0136-0.0248 ( 3881 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8571 -20.8571 -20.7299 -20.7299 -20.3745 -20.3745 -20.2435 -20.2435 -20.2282 -20.2282 -20.1868 -20.1868 -8.9996 -8.9996 -8.7894 -8.7894 0.2230 0.2230 1.7979 1.7979 3.2416 3.2416 4.0438 4.0438 4.1222 4.1222 4.1390 4.1390 4.2246 4.2246 4.9774 4.9774 9.0217 9.0217 9.0334 9.0334 9.1549 9.1549 9.4221 9.4221 9.4230 9.4230 k = 0.0111-0.0272-0.0497 ( 3877 PWs) bands (ev): -41.8600 -41.8600 -41.8226 -41.8226 -20.8571 -20.8571 -20.7301 -20.7301 -20.3746 -20.3746 -20.2441 -20.2441 -20.2280 -20.2280 -20.1871 -20.1871 -8.9982 -8.9982 -8.7882 -8.7882 0.2268 0.2268 1.8007 1.8007 3.2357 3.2357 4.0381 4.0381 4.1166 4.1166 4.1382 4.1382 4.2232 4.2232 4.9753 4.9753 9.0107 9.0107 9.0307 9.0307 9.1574 9.1574 9.4260 9.4260 9.4277 9.4277 k = 0.0166-0.0409-0.0745 ( 3877 PWs) bands (ev): -41.8599 -41.8599 -41.8226 -41.8226 -20.8571 -20.8571 -20.7306 -20.7306 -20.3747 -20.3747 -20.2451 -20.2451 -20.2278 -20.2278 -20.1877 -20.1877 -8.9958 -8.9958 -8.7863 -8.7863 0.2332 0.2332 1.8054 1.8054 3.2259 3.2259 4.0277 4.0277 4.1086 4.1086 4.1365 4.1365 4.2208 4.2208 4.9716 4.9716 8.9905 8.9905 9.0292 9.0292 9.1612 9.1612 9.4320 9.4320 9.4356 9.4356 k = 0.0221-0.0545-0.0993 ( 3875 PWs) bands (ev): -41.8597 -41.8597 -41.8225 -41.8225 -20.8571 -20.8571 -20.7312 -20.7312 -20.3750 -20.3750 -20.2465 -20.2465 -20.2275 -20.2275 -20.1886 -20.1886 -8.9925 -8.9925 -8.7836 -8.7836 0.2422 0.2422 1.8120 1.8120 3.2123 3.2123 4.0118 4.0118 4.0993 4.0993 4.1340 4.1340 4.2174 4.2174 4.9662 4.9662 8.9628 8.9628 9.0282 9.0282 9.1659 9.1659 9.4396 9.4396 9.4463 9.4463 k = 0.0277-0.0681-0.1242 ( 3871 PWs) bands (ev): -41.8595 -41.8595 -41.8224 -41.8224 -20.8571 -20.8571 -20.7319 -20.7319 -20.3752 -20.3752 -20.2482 -20.2482 -20.2272 -20.2272 -20.1896 -20.1896 -8.9882 -8.9882 -8.7802 -8.7802 0.2536 0.2536 1.8204 1.8204 3.1951 3.1951 3.9898 3.9898 4.0898 4.0898 4.1305 4.1305 4.2130 4.2130 4.9588 4.9588 8.9289 8.9289 9.0276 9.0276 9.1714 9.1714 9.4486 9.4486 9.4594 9.4594 k = 0.0332-0.0817-0.1490 ( 3871 PWs) bands (ev): -41.8592 -41.8592 -41.8223 -41.8223 -20.8571 -20.8571 -20.7328 -20.7328 -20.3756 -20.3756 -20.2501 -20.2501 -20.2270 -20.2270 -20.1909 -20.1909 -8.9831 -8.9831 -8.7760 -8.7760 0.2676 0.2676 1.8305 1.8305 3.1743 3.1743 3.9617 3.9617 4.0805 4.0805 4.1261 4.1261 4.2076 4.2076 4.9492 4.9492 8.8897 8.8897 9.0276 9.0276 9.1775 9.1775 9.4587 9.4587 9.4746 9.4746 k = 0.0387-0.0954-0.1738 ( 3869 PWs) bands (ev): -41.8589 -41.8589 -41.8222 -41.8222 -20.8571 -20.8571 -20.7339 -20.7339 -20.3760 -20.3760 -20.2522 -20.2522 -20.2269 -20.2269 -20.1924 -20.1924 -8.9770 -8.9770 -8.7711 -8.7711 0.2840 0.2840 1.8423 1.8423 3.1503 3.1503 3.9282 3.9282 4.0714 4.0714 4.1206 4.1206 4.2011 4.2011 4.9373 4.9373 8.8459 8.8459 9.0284 9.0284 9.1842 9.1842 9.4697 9.4697 9.4913 9.4913 k = 0.0443-0.1090-0.1987 ( 3865 PWs) bands (ev): -41.8585 -41.8585 -41.8220 -41.8220 -20.8571 -20.8571 -20.7352 -20.7352 -20.3764 -20.3764 -20.2545 -20.2545 -20.2269 -20.2269 -20.1940 -20.1940 -8.9700 -8.9700 -8.7655 -8.7655 0.3029 0.3029 1.8557 1.8557 3.1232 3.1232 3.8899 3.8899 4.0621 4.0621 4.1142 4.1142 4.1935 4.1935 4.9227 4.9227 8.7981 8.7981 9.0303 9.0303 9.1912 9.1912 9.4815 9.4815 9.5089 9.5089 k = 0.0498-0.1226-0.2235 ( 3859 PWs) bands (ev): -41.8580 -41.8580 -41.8218 -41.8218 -20.8571 -20.8571 -20.7365 -20.7365 -20.3769 -20.3769 -20.2570 -20.2570 -20.2270 -20.2270 -20.1958 -20.1958 -8.9622 -8.9622 -8.7592 -8.7592 0.3241 0.3241 1.8707 1.8707 3.0932 3.0932 3.8477 3.8477 4.0524 4.0524 4.1068 4.1068 4.1849 4.1849 4.9055 4.9055 8.7470 8.7470 9.0334 9.0334 9.1985 9.1985 9.4941 9.4941 9.5269 9.5269 k = 0.0553-0.1362-0.2483 ( 3857 PWs) bands (ev): -41.8576 -41.8576 -41.8216 -41.8216 -20.8571 -20.8571 -20.7381 -20.7381 -20.3775 -20.3775 -20.2596 -20.2596 -20.2273 -20.2273 -20.1978 -20.1978 -8.9535 -8.9535 -8.7522 -8.7522 0.3477 0.3477 1.8872 1.8872 3.0606 3.0606 3.8022 3.8022 4.0421 4.0421 4.0984 4.0984 4.1753 4.1753 4.8854 4.8854 8.6931 8.6931 9.0379 9.0379 9.2059 9.2059 9.5073 9.5073 9.5443 9.5443 k = 0.0609-0.1498-0.2732 ( 3861 PWs) bands (ev): -41.8571 -41.8571 -41.8214 -41.8214 -20.8572 -20.8572 -20.7398 -20.7398 -20.3782 -20.3782 -20.2625 -20.2625 -20.2278 -20.2278 -20.1998 -20.1998 -8.9440 -8.9440 -8.7446 -8.7446 0.3736 0.3736 1.9050 1.9050 3.0257 3.0257 3.7540 3.7540 4.0308 4.0308 4.0890 4.0890 4.1646 4.1646 4.8624 4.8624 8.6368 8.6368 9.0439 9.0439 9.2133 9.2133 9.5213 9.5213 9.5605 9.5605 k = 0.0664-0.1635-0.2980 ( 3869 PWs) bands (ev): -41.8565 -41.8565 -41.8212 -41.8212 -20.8573 -20.8573 -20.7417 -20.7417 -20.3789 -20.3789 -20.2654 -20.2654 -20.2284 -20.2284 -20.2020 -20.2020 -8.9337 -8.9337 -8.7363 -8.7363 0.4016 0.4016 1.9240 1.9240 2.9888 2.9888 3.7038 3.7038 4.0185 4.0185 4.0786 4.0786 4.1528 4.1528 4.8365 4.8365 8.5788 8.5788 9.0514 9.0514 9.2207 9.2207 9.5359 9.5359 9.5748 9.5748 k = 0.0720-0.1771-0.3228 ( 3871 PWs) bands (ev): -41.8559 -41.8559 -41.8210 -41.8210 -20.8574 -20.8574 -20.7438 -20.7438 -20.3796 -20.3796 -20.2685 -20.2685 -20.2293 -20.2293 -20.2041 -20.2041 -8.9226 -8.9226 -8.7275 -8.7275 0.4319 0.4319 1.9440 1.9440 2.9501 2.9501 3.6520 3.6520 4.0051 4.0051 4.0672 4.0672 4.1401 4.1401 4.8079 4.8079 8.5193 8.5193 9.0606 9.0606 9.2280 9.2280 9.5512 9.5512 9.5864 9.5864 k = 0.0775-0.1907-0.3477 ( 3873 PWs) bands (ev): -41.8552 -41.8552 -41.8207 -41.8207 -20.8575 -20.8575 -20.7459 -20.7459 -20.3803 -20.3803 -20.2716 -20.2716 -20.2304 -20.2304 -20.2063 -20.2063 -8.9109 -8.9109 -8.7180 -8.7180 0.4642 0.4642 1.9650 1.9650 2.9099 2.9099 3.5993 3.5993 3.9904 3.9904 4.0549 4.0549 4.1264 4.1264 4.7765 4.7765 8.4588 8.4588 9.0714 9.0714 9.2351 9.2351 9.5670 9.5670 9.5952 9.5952 k = 0.0830-0.2043-0.3725 ( 3867 PWs) bands (ev): -41.8546 -41.8546 -41.8204 -41.8204 -20.8576 -20.8576 -20.7482 -20.7482 -20.3811 -20.3811 -20.2749 -20.2749 -20.2317 -20.2317 -20.2084 -20.2084 -8.8984 -8.8984 -8.7081 -8.7081 0.4985 0.4985 1.9867 1.9867 2.8685 2.8685 3.5461 3.5461 3.9742 3.9742 4.0416 4.0416 4.1118 4.1118 4.7426 4.7426 8.3978 8.3978 9.0839 9.0839 9.2422 9.2422 9.5829 9.5829 9.6014 9.6014 k = 0.0886-0.2179-0.3973 ( 3873 PWs) bands (ev): -41.8538 -41.8538 -41.8202 -41.8202 -20.8578 -20.8578 -20.7507 -20.7507 -20.3820 -20.3820 -20.2782 -20.2782 -20.2333 -20.2333 -20.2105 -20.2105 -8.8853 -8.8853 -8.6976 -8.6976 0.5347 0.5347 2.0089 2.0089 2.8263 2.8263 3.4928 3.4928 3.9567 3.9567 4.0272 4.0272 4.0964 4.0964 4.7062 4.7062 8.3364 8.3364 9.0978 9.0978 9.2492 9.2492 9.5970 9.5970 9.6072 9.6072 k = 0.0941-0.2316-0.4222 ( 3867 PWs) bands (ev): -41.8531 -41.8531 -41.8199 -41.8199 -20.8579 -20.8579 -20.7532 -20.7532 -20.3828 -20.3828 -20.2816 -20.2816 -20.2352 -20.2352 -20.2125 -20.2125 -8.8715 -8.8715 -8.6867 -8.6867 0.5727 0.5727 2.0314 2.0314 2.7834 2.7834 3.4400 3.4400 3.9377 3.9377 4.0118 4.0118 4.0801 4.0801 4.6676 4.6676 8.2751 8.2751 9.1132 9.1132 9.2563 9.2563 9.6022 9.6022 9.6198 9.6198 k = 0.0996-0.2452-0.4470 ( 3871 PWs) bands (ev): -41.8523 -41.8523 -41.8196 -41.8196 -20.8582 -20.8582 -20.7559 -20.7559 -20.3837 -20.3837 -20.2851 -20.2851 -20.2373 -20.2373 -20.2144 -20.2144 -8.8572 -8.8572 -8.6753 -8.6753 0.6124 0.6124 2.0538 2.0538 2.7403 2.7403 3.3882 3.3882 3.9173 3.9173 3.9952 3.9952 4.0631 4.0631 4.6269 4.6269 8.2142 8.2142 9.1299 9.1299 9.2634 9.2634 9.6022 9.6022 9.6360 9.6360 k = 0.1052-0.2588-0.4719 ( 3871 PWs) bands (ev): -41.8515 -41.8515 -41.8193 -41.8193 -20.8584 -20.8584 -20.7587 -20.7587 -20.3846 -20.3846 -20.2886 -20.2886 -20.2397 -20.2397 -20.2162 -20.2162 -8.8423 -8.8423 -8.6635 -8.6635 0.6537 0.6537 2.0758 2.0758 2.6971 2.6971 3.3378 3.3378 3.8955 3.8955 3.9774 3.9774 4.0454 4.0454 4.5843 4.5843 8.1538 8.1538 9.1479 9.1479 9.2707 9.2707 9.6005 9.6005 9.6526 9.6526 k = 0.1107-0.2724-0.4967 ( 3871 PWs) bands (ev): -41.8506 -41.8506 -41.8190 -41.8190 -20.8587 -20.8587 -20.7616 -20.7616 -20.3855 -20.3855 -20.2922 -20.2922 -20.2422 -20.2422 -20.2179 -20.2179 -8.8270 -8.8270 -8.6514 -8.6514 0.6964 0.6964 2.0971 2.0971 2.6543 2.6543 3.2893 3.2893 3.8724 3.8724 3.9583 3.9583 4.0269 4.0269 4.5400 4.5400 8.0943 8.0943 9.1669 9.1669 9.2783 9.2783 9.5981 9.5981 9.6690 9.6690 k = 0.1162-0.2861-0.5215 ( 3869 PWs) bands (ev): -41.8498 -41.8498 -41.8187 -41.8187 -20.8590 -20.8590 -20.7647 -20.7647 -20.3864 -20.3864 -20.2958 -20.2958 -20.2450 -20.2450 -20.2196 -20.2196 -8.8112 -8.8112 -8.6389 -8.6389 0.7403 0.7403 2.1173 2.1173 2.6120 2.6120 3.2433 3.2433 3.8480 3.8480 3.9380 3.9380 4.0079 4.0079 4.4943 4.4943 8.0359 8.0359 9.1868 9.1868 9.2863 9.2863 9.5953 9.5953 9.6850 9.6850 k = 0.1218-0.2997-0.5464 ( 3867 PWs) bands (ev): -41.8489 -41.8489 -41.8184 -41.8184 -20.8594 -20.8594 -20.7678 -20.7678 -20.3873 -20.3873 -20.2994 -20.2994 -20.2478 -20.2478 -20.2212 -20.2212 -8.7950 -8.7950 -8.6262 -8.6262 0.7854 0.7854 2.1358 2.1358 2.5707 2.5707 3.2004 3.2004 3.8224 3.8224 3.9164 3.9164 3.9881 3.9881 4.4473 4.4473 7.9788 7.9788 9.2075 9.2075 9.2947 9.2947 9.5927 9.5927 9.7005 9.7005 k = 0.1273-0.3133-0.5712 ( 3861 PWs) bands (ev): -41.8479 -41.8479 -41.8181 -41.8181 -20.8598 -20.8598 -20.7709 -20.7709 -20.3883 -20.3883 -20.3029 -20.3029 -20.2508 -20.2508 -20.2228 -20.2228 -8.7785 -8.7785 -8.6133 -8.6133 0.8314 0.8314 2.1523 2.1523 2.5305 2.5305 3.1612 3.1612 3.7957 3.7957 3.8936 3.8936 3.9677 3.9677 4.3992 4.3992 7.9231 7.9231 9.2287 9.2287 9.3036 9.3036 9.5903 9.5903 9.7154 9.7154 k = 0.1328-0.3269-0.5960 ( 3859 PWs) bands (ev): -41.8470 -41.8470 -41.8178 -41.8178 -20.8602 -20.8602 -20.7742 -20.7742 -20.3892 -20.3892 -20.3065 -20.3065 -20.2538 -20.2538 -20.2244 -20.2244 -8.7616 -8.7616 -8.6001 -8.6001 0.8782 0.8782 2.1662 2.1662 2.4919 2.4919 3.1261 3.1261 3.7679 3.7679 3.8696 3.8696 3.9467 3.9467 4.3502 4.3502 7.8689 7.8689 9.2503 9.2503 9.3130 9.3130 9.5884 9.5884 9.7297 9.7297 k = 0.1384-0.3405-0.6209 ( 3863 PWs) bands (ev): -41.8461 -41.8461 -41.8175 -41.8175 -20.8607 -20.8607 -20.7775 -20.7775 -20.3901 -20.3901 -20.3101 -20.3101 -20.2569 -20.2569 -20.2260 -20.2260 -8.7446 -8.7446 -8.5869 -8.5869 0.9254 0.9254 2.1769 2.1769 2.4550 2.4550 3.0956 3.0956 3.7390 3.7390 3.8445 3.8445 3.9249 3.9249 4.3003 4.3003 7.8164 7.8164 9.2720 9.2720 9.3230 9.3230 9.5873 9.5873 9.7436 9.7436 k = 0.1439-0.3542-0.6457 ( 3863 PWs) bands (ev): -41.8451 -41.8451 -41.8172 -41.8172 -20.8611 -20.8611 -20.7808 -20.7808 -20.3910 -20.3910 -20.3136 -20.3136 -20.2601 -20.2601 -20.2276 -20.2276 -8.7273 -8.7273 -8.5735 -8.5735 0.9729 0.9729 2.1841 2.1841 2.4204 2.4204 3.0704 3.0704 3.7093 3.7093 3.8184 3.8184 3.9025 3.9025 4.2498 4.2498 7.7657 7.7657 9.2936 9.2936 9.3336 9.3336 9.5870 9.5870 9.7571 9.7571 k = 0.1494-0.3678-0.6705 ( 3861 PWs) bands (ev): -41.8441 -41.8441 -41.8169 -41.8169 -20.8616 -20.8616 -20.7842 -20.7842 -20.3919 -20.3919 -20.3171 -20.3171 -20.2632 -20.2632 -20.2292 -20.2292 -8.7098 -8.7098 -8.5600 -8.5600 1.0203 1.0203 2.1874 2.1874 2.3883 2.3883 3.0505 3.0505 3.6786 3.6786 3.7914 3.7914 3.8794 3.8794 4.1989 4.1989 7.7169 7.7169 9.3150 9.3150 9.3448 9.3448 9.5876 9.5876 9.7703 9.7703 k = 0.1550-0.3814-0.6954 ( 3859 PWs) bands (ev): -41.8431 -41.8431 -41.8167 -41.8167 -20.8621 -20.8621 -20.7876 -20.7876 -20.3927 -20.3927 -20.3205 -20.3205 -20.2663 -20.2663 -20.2308 -20.2308 -8.6923 -8.6923 -8.5466 -8.5466 1.0674 1.0674 2.1867 2.1867 2.3592 2.3592 3.0362 3.0362 3.6471 3.6471 3.7637 3.7637 3.8558 3.8558 4.1476 4.1476 7.6700 7.6700 9.3357 9.3357 9.3567 9.3567 9.5894 9.5894 9.7835 9.7835 k = 0.1605-0.3950-0.7202 ( 3851 PWs) bands (ev): -41.8421 -41.8421 -41.8164 -41.8164 -20.8626 -20.8626 -20.7910 -20.7910 -20.3936 -20.3936 -20.3239 -20.3239 -20.2694 -20.2694 -20.2325 -20.2325 -8.6747 -8.6747 -8.5332 -8.5332 1.1138 1.1138 2.1821 2.1821 2.3334 2.3334 3.0274 3.0274 3.6148 3.6148 3.7353 3.7353 3.8315 3.8315 4.0962 4.0962 7.6253 7.6253 9.3555 9.3555 9.3694 9.3694 9.5923 9.5923 9.7968 9.7968 k = 0.1660-0.4086-0.7450 ( 3855 PWs) bands (ev): -41.8412 -41.8412 -41.8161 -41.8161 -20.8632 -20.8632 -20.7945 -20.7945 -20.3944 -20.3944 -20.3272 -20.3272 -20.2724 -20.2724 -20.2342 -20.2342 -8.6572 -8.6572 -8.5199 -8.5199 1.1591 1.1591 2.1738 2.1738 2.3114 2.3114 3.0236 3.0236 3.5817 3.5817 3.7065 3.7065 3.8068 3.8068 4.0447 4.0447 7.5823 7.5823 9.3736 9.3736 9.3833 9.3833 9.5964 9.5964 9.8103 9.8103 k = 0.1716-0.4223-0.7699 ( 3855 PWs) bands (ev): -41.8402 -41.8402 -41.8159 -41.8159 -20.8637 -20.8637 -20.7979 -20.7979 -20.3952 -20.3952 -20.3303 -20.3303 -20.2754 -20.2754 -20.2360 -20.2360 -8.6397 -8.6397 -8.5067 -8.5067 1.2029 1.2029 2.1623 2.1623 2.2934 2.2934 3.0243 3.0243 3.5478 3.5478 3.6773 3.6773 3.7816 3.7816 3.9933 3.9933 7.5415 7.5415 9.3895 9.3895 9.3987 9.3987 9.6019 9.6019 9.8243 9.8243 k = 0.1771-0.4359-0.7947 ( 3849 PWs) bands (ev): -41.8392 -41.8392 -41.8157 -41.8157 -20.8643 -20.8643 -20.8013 -20.8013 -20.3960 -20.3960 -20.3334 -20.3334 -20.2783 -20.2783 -20.2377 -20.2377 -8.6223 -8.6223 -8.4937 -8.4937 1.2450 1.2450 2.1481 2.1481 2.2800 2.2800 3.0288 3.0288 3.5132 3.5132 3.6480 3.6480 3.7561 3.7561 3.9421 3.9421 7.5027 7.5027 9.4039 9.4039 9.4147 9.4147 9.6089 9.6089 9.8389 9.8389 k = 0.1827-0.4495-0.8195 ( 3851 PWs) bands (ev): -41.8382 -41.8382 -41.8155 -41.8155 -20.8648 -20.8648 -20.8046 -20.8046 -20.3968 -20.3968 -20.3363 -20.3363 -20.2812 -20.2812 -20.2395 -20.2395 -8.6050 -8.6050 -8.4809 -8.4809 1.2847 1.2847 2.1321 2.1321 2.2713 2.2713 3.0363 3.0363 3.4777 3.4777 3.6185 3.6185 3.7305 3.7305 3.8914 3.8914 7.4659 7.4659 9.4178 9.4178 9.4302 9.4302 9.6173 9.6173 9.8543 9.8543 k = 0.1882-0.4631-0.8444 ( 3845 PWs) bands (ev): -41.8372 -41.8372 -41.8153 -41.8153 -20.8653 -20.8653 -20.8079 -20.8079 -20.3976 -20.3976 -20.3391 -20.3391 -20.2840 -20.2840 -20.2414 -20.2414 -8.5880 -8.5880 -8.4683 -8.4683 1.3219 1.3219 2.1149 2.1149 2.2678 2.2678 3.0459 3.0459 3.4416 3.4416 3.5892 3.5892 3.7047 3.7047 3.8413 3.8413 7.4312 7.4312 9.4315 9.4315 9.4447 9.4447 9.6274 9.6274 9.8707 9.8707 k = 0.1937-0.4768-0.8692 ( 3849 PWs) bands (ev): -41.8362 -41.8362 -41.8151 -41.8151 -20.8658 -20.8658 -20.8112 -20.8112 -20.3984 -20.3984 -20.3417 -20.3417 -20.2868 -20.2868 -20.2433 -20.2433 -8.5712 -8.5712 -8.4561 -8.4561 1.3561 1.3561 2.0970 2.0970 2.2696 2.2696 3.0567 3.0567 3.4046 3.4046 3.5601 3.5601 3.6790 3.6790 3.7920 3.7920 7.3984 7.3984 9.4450 9.4450 9.4581 9.4581 9.6389 9.6389 9.8881 9.8881 k = 0.1993-0.4904-0.8940 ( 3851 PWs) bands (ev): -41.8352 -41.8352 -41.8150 -41.8150 -20.8662 -20.8662 -20.8144 -20.8144 -20.3992 -20.3992 -20.3442 -20.3442 -20.2895 -20.2895 -20.2452 -20.2452 -8.5547 -8.5547 -8.4442 -8.4442 1.3874 1.3874 2.0791 2.0791 2.2768 2.2768 3.0678 3.0678 3.3670 3.3670 3.5314 3.5314 3.6534 3.6534 3.7440 3.7440 7.3676 7.3676 9.4580 9.4580 9.4707 9.4707 9.6520 9.6520 9.9067 9.9067 k = 0.2048-0.5040-0.9189 ( 3853 PWs) bands (ev): -41.8343 -41.8343 -41.8148 -41.8148 -20.8667 -20.8667 -20.8175 -20.8175 -20.4000 -20.4000 -20.3465 -20.3465 -20.2921 -20.2921 -20.2471 -20.2471 -8.5386 -8.5386 -8.4327 -8.4327 1.4155 1.4155 2.0616 2.0616 2.2894 2.2894 3.0782 3.0782 3.3287 3.3287 3.5033 3.5033 3.6279 3.6279 3.6978 3.6978 7.3388 7.3388 9.4703 9.4703 9.4831 9.4831 9.6665 9.6665 9.9264 9.9264 k = 0.2103-0.5176-0.9437 ( 3849 PWs) bands (ev): -41.8333 -41.8333 -41.8147 -41.8147 -20.8670 -20.8670 -20.8205 -20.8205 -20.4008 -20.4008 -20.3485 -20.3485 -20.2946 -20.2946 -20.2491 -20.2491 -8.5228 -8.5228 -8.4216 -8.4216 1.4408 1.4408 2.0449 2.0449 2.3072 2.3072 3.0869 3.0869 3.2898 3.2898 3.4760 3.4760 3.6025 3.6025 3.6540 3.6540 7.3119 7.3119 9.4814 9.4814 9.4957 9.4957 9.6825 9.6825 9.9474 9.9474 k = 0.2159-0.5312-0.9685 ( 3845 PWs) bands (ev): -41.8324 -41.8324 -41.8146 -41.8146 -20.8674 -20.8674 -20.8234 -20.8234 -20.4017 -20.4017 -20.3504 -20.3504 -20.2970 -20.2970 -20.2510 -20.2510 -8.5075 -8.5075 -8.4110 -8.4110 1.4635 1.4635 2.0294 2.0294 2.3297 2.3297 3.0926 3.0926 3.2504 3.2504 3.4496 3.4496 3.5767 3.5767 3.6138 3.6138 7.2868 7.2868 9.4913 9.4913 9.5089 9.5089 9.6997 9.6997 9.9697 9.9697 k = 0.2214-0.5449-0.9934 ( 3851 PWs) bands (ev): -41.8315 -41.8315 -41.8146 -41.8146 -20.8676 -20.8676 -20.8262 -20.8262 -20.4026 -20.4026 -20.3521 -20.3521 -20.2994 -20.2994 -20.2530 -20.2530 -8.4927 -8.4927 -8.4009 -8.4009 1.4840 1.4840 2.0153 2.0153 2.3564 2.3564 3.0942 3.0942 3.2108 3.2108 3.4244 3.4244 3.5499 3.5499 3.5787 3.5787 7.2637 7.2637 9.5002 9.5002 9.5225 9.5225 9.7182 9.7182 9.9932 9.9932 k = 0.2269-0.5585-1.0182 ( 3849 PWs) bands (ev): -41.8306 -41.8306 -41.8145 -41.8145 -20.8679 -20.8679 -20.8289 -20.8289 -20.4035 -20.4035 -20.3535 -20.3535 -20.3017 -20.3017 -20.2549 -20.2549 -8.4783 -8.4783 -8.3912 -8.3912 1.5028 1.5028 2.0029 2.0029 2.3867 2.3867 3.0901 3.0901 3.1713 3.1713 3.4004 3.4004 3.5221 3.5221 3.5497 3.5497 7.2423 7.2423 9.5087 9.5087 9.5365 9.5365 9.7378 9.7378 10.0179 10.0179 k = 0.2325-0.5721-1.0430 ( 3849 PWs) bands (ev): -41.8297 -41.8297 -41.8145 -41.8145 -20.8680 -20.8680 -20.8315 -20.8315 -20.4045 -20.4045 -20.3547 -20.3547 -20.3040 -20.3040 -20.2569 -20.2569 -8.4645 -8.4645 -8.3822 -8.3822 1.5205 1.5205 1.9923 1.9923 2.4197 2.4197 3.0787 3.0787 3.1327 3.1327 3.3775 3.3775 3.4958 3.4958 3.5254 3.5254 7.2226 7.2226 9.5170 9.5170 9.5506 9.5506 9.7586 9.7586 10.0437 10.0437 k = 0.2380-0.5857-1.0679 ( 3849 PWs) bands (ev): -41.8289 -41.8289 -41.8145 -41.8145 -20.8681 -20.8681 -20.8340 -20.8340 -20.4054 -20.4054 -20.3557 -20.3557 -20.3062 -20.3062 -20.2588 -20.2588 -8.4513 -8.4513 -8.3736 -8.3736 1.5375 1.5375 1.9837 1.9837 2.4547 2.4547 3.0580 3.0580 3.0967 3.0967 3.3555 3.3555 3.4737 3.4737 3.5040 3.5040 7.2048 7.2048 9.5255 9.5255 9.5649 9.5649 9.7804 9.7804 10.0706 10.0706 k = 0.2435-0.5993-1.0927 ( 3849 PWs) bands (ev): -41.8280 -41.8280 -41.8146 -41.8146 -20.8682 -20.8682 -20.8364 -20.8364 -20.4065 -20.4065 -20.3564 -20.3564 -20.3083 -20.3083 -20.2607 -20.2607 -8.4386 -8.4386 -8.3657 -8.3657 1.5544 1.5544 1.9771 1.9771 2.4908 2.4908 3.0276 3.0276 3.0639 3.0639 3.3340 3.3340 3.4567 3.4567 3.4847 3.4847 7.1886 7.1886 9.5343 9.5343 9.5793 9.5793 9.8032 9.8032 10.0983 10.0983 k = 0.2491-0.6130-1.1175 ( 3841 PWs) bands (ev): -41.8272 -41.8272 -41.8146 -41.8146 -20.8681 -20.8681 -20.8386 -20.8386 -20.4075 -20.4075 -20.3569 -20.3569 -20.3103 -20.3103 -20.2625 -20.2625 -8.4266 -8.4266 -8.3584 -8.3584 1.5717 1.5717 1.9727 1.9727 2.5273 2.5273 2.9915 2.9915 3.0317 3.0317 3.3128 3.3128 3.4443 3.4443 3.4675 3.4675 7.1740 7.1740 9.5437 9.5437 9.5937 9.5937 9.8271 9.8271 10.1268 10.1268 k = 0.2546-0.6266-1.1424 ( 3849 PWs) bands (ev): -41.8264 -41.8264 -41.8147 -41.8147 -20.8681 -20.8681 -20.8407 -20.8407 -20.4086 -20.4086 -20.3572 -20.3572 -20.3123 -20.3123 -20.2644 -20.2644 -8.4152 -8.4152 -8.3517 -8.3517 1.5897 1.5897 1.9704 1.9704 2.5628 2.5628 2.9535 2.9535 2.9976 2.9976 3.2922 3.2922 3.4345 3.4345 3.4532 3.4532 7.1611 7.1611 9.5539 9.5539 9.6081 9.6081 9.8519 9.8519 10.1558 10.1558 k = 0.2601-0.6402-1.1672 ( 3847 PWs) bands (ev): -41.8257 -41.8257 -41.8148 -41.8148 -20.8679 -20.8679 -20.8426 -20.8426 -20.4096 -20.4096 -20.3573 -20.3573 -20.3143 -20.3143 -20.2661 -20.2661 -8.4044 -8.4044 -8.3456 -8.3456 1.6087 1.6087 1.9702 1.9702 2.5958 2.5958 2.9163 2.9163 2.9617 2.9617 3.2724 3.2724 3.4244 3.4244 3.4436 3.4436 7.1498 7.1498 9.5649 9.5649 9.6225 9.6225 9.8776 9.8776 10.1853 10.1853 k = 0.2657-0.6538-1.1920 ( 3846 PWs) bands (ev): -41.8249 -41.8249 -41.8150 -41.8150 -20.8677 -20.8677 -20.8444 -20.8444 -20.4107 -20.4107 -20.3572 -20.3572 -20.3162 -20.3162 -20.2678 -20.2678 -8.3943 -8.3943 -8.3401 -8.3401 1.6289 1.6289 1.9719 1.9719 2.6241 2.6241 2.8815 2.8815 2.9254 2.9254 3.2535 3.2535 3.4127 3.4127 3.4387 3.4387 7.1399 7.1399 9.5769 9.5769 9.6367 9.6367 9.9042 9.9042 10.2150 10.2150 k = 0.2712-0.6675-1.2169 ( 3840 PWs) bands (ev): -41.8242 -41.8242 -41.8151 -41.8151 -20.8674 -20.8674 -20.8461 -20.8461 -20.4117 -20.4117 -20.3569 -20.3569 -20.3180 -20.3180 -20.2694 -20.2694 -8.3849 -8.3849 -8.3353 -8.3353 1.6507 1.6507 1.9756 1.9756 2.6434 2.6434 2.8501 2.8501 2.8924 2.8924 3.2357 3.2357 3.4008 3.4008 3.4362 3.4362 7.1315 7.1315 9.5900 9.5900 9.6508 9.6508 9.9316 9.9316 10.2448 10.2448 k = 0.2767-0.6811-1.2417 ( 3840 PWs) bands (ev): -41.8236 -41.8236 -41.8153 -41.8153 -20.8671 -20.8671 -20.8476 -20.8476 -20.4127 -20.4127 -20.3564 -20.3564 -20.3198 -20.3198 -20.2709 -20.2709 -8.3762 -8.3762 -8.3312 -8.3312 1.6741 1.6741 1.9808 1.9808 2.6486 2.6486 2.8192 2.8192 2.8717 2.8717 3.2192 3.2192 3.3896 3.3896 3.4345 3.4345 7.1245 7.1245 9.6040 9.6040 9.6645 9.6645 9.9597 9.9597 10.2743 10.2743 k = 0.2823-0.6947-1.2665 ( 3838 PWs) bands (ev): -41.8229 -41.8229 -41.8155 -41.8155 -20.8667 -20.8667 -20.8491 -20.8491 -20.4136 -20.4136 -20.3558 -20.3558 -20.3216 -20.3216 -20.2723 -20.2723 -8.3681 -8.3681 -8.3277 -8.3277 1.6991 1.6991 1.9875 1.9875 2.6373 2.6373 2.7844 2.7844 2.8706 2.8706 3.2038 3.2038 3.3794 3.3794 3.4329 3.4329 7.1188 7.1188 9.6191 9.6191 9.6778 9.6778 9.9884 9.9884 10.3033 10.3033 k = 0.2878-0.7083-1.2914 ( 3844 PWs) bands (ev): -41.8223 -41.8223 -41.8157 -41.8157 -20.8664 -20.8664 -20.8504 -20.8504 -20.4145 -20.4145 -20.3551 -20.3551 -20.3233 -20.3233 -20.2736 -20.2736 -8.3608 -8.3608 -8.3248 -8.3248 1.7260 1.7260 1.9951 1.9951 2.6130 2.6130 2.7474 2.7474 2.8844 2.8844 3.1897 3.1897 3.3703 3.3703 3.4307 3.4307 7.1143 7.1143 9.6349 9.6349 9.6904 9.6904 10.0175 10.0175 10.3316 10.3316 k = 0.2934-0.7219-1.3162 ( 3836 PWs) bands (ev): -41.8217 -41.8217 -41.8160 -41.8160 -20.8659 -20.8659 -20.8515 -20.8515 -20.4152 -20.4152 -20.3542 -20.3542 -20.3250 -20.3250 -20.2748 -20.2748 -8.3541 -8.3541 -8.3226 -8.3226 1.7545 1.7545 2.0031 2.0031 2.5813 2.5813 2.7108 2.7108 2.9060 2.9060 3.1768 3.1768 3.3623 3.3623 3.4278 3.4278 7.1110 7.1110 9.6515 9.6515 9.7023 9.7023 10.0468 10.0468 10.3588 10.3588 k = 0.2989-0.7356-1.3410 ( 3838 PWs) bands (ev): -41.8211 -41.8211 -41.8162 -41.8162 -20.8655 -20.8655 -20.8526 -20.8526 -20.4159 -20.4159 -20.3532 -20.3532 -20.3267 -20.3267 -20.2758 -20.2758 -8.3481 -8.3481 -8.3209 -8.3209 1.7846 1.7846 2.0109 2.0109 2.5460 2.5460 2.6762 2.6762 2.9307 2.9307 3.1652 3.1652 3.3555 3.3555 3.4241 3.4241 7.1087 7.1087 9.6684 9.6684 9.7131 9.7131 10.0760 10.0760 10.3845 10.3845 k = 0.3044-0.7492-1.3659 ( 3832 PWs) bands (ev): -41.8206 -41.8206 -41.8165 -41.8165 -20.8651 -20.8651 -20.8534 -20.8534 -20.4165 -20.4165 -20.3521 -20.3521 -20.3282 -20.3282 -20.2767 -20.2767 -8.3428 -8.3428 -8.3198 -8.3198 1.8161 1.8161 2.0176 2.0176 2.5093 2.5093 2.6449 2.6449 2.9562 2.9562 3.1548 3.1548 3.3499 3.3499 3.4193 3.4193 7.1073 7.1073 9.6853 9.6853 9.7227 9.7227 10.1045 10.1045 10.4084 10.4084 k = 0.3100-0.7628-1.3907 ( 3830 PWs) bands (ev): -41.8201 -41.8201 -41.8168 -41.8168 -20.8647 -20.8647 -20.8542 -20.8542 -20.4170 -20.4170 -20.3511 -20.3511 -20.3297 -20.3297 -20.2775 -20.2775 -8.3381 -8.3381 -8.3194 -8.3194 1.8486 1.8486 2.0223 2.0223 2.4727 2.4727 2.6181 2.6181 2.9811 2.9811 3.1456 3.1456 3.3455 3.3455 3.4136 3.4136 7.1067 7.1067 9.7015 9.7015 9.7309 9.7309 10.1319 10.1319 10.4301 10.4301 k = 0.3155-0.7764-1.4156 ( 3836 PWs) bands (ev): -41.8196 -41.8196 -41.8172 -41.8172 -20.8644 -20.8644 -20.8548 -20.8548 -20.4175 -20.4175 -20.3501 -20.3501 -20.3311 -20.3311 -20.2781 -20.2781 -8.3340 -8.3340 -8.3194 -8.3194 1.8816 1.8816 2.0237 2.0237 2.4372 2.4372 2.5970 2.5970 3.0047 3.0047 3.1376 3.1376 3.3421 3.3421 3.4068 3.4068 7.1068 7.1068 9.7161 9.7161 9.7375 9.7375 10.1571 10.1571 10.4491 10.4491 k = 0.3210-0.7900-1.4404 ( 3822 PWs) bands (ev): -41.8192 -41.8192 -41.8175 -41.8175 -20.8641 -20.8641 -20.8552 -20.8552 -20.4177 -20.4177 -20.3491 -20.3491 -20.3322 -20.3322 -20.2785 -20.2785 -8.3306 -8.3306 -8.3199 -8.3199 1.9143 1.9143 2.0211 2.0211 2.4039 2.4039 2.5827 2.5827 3.0267 3.0267 3.1307 3.1307 3.3400 3.3400 3.3993 3.3993 7.1076 7.1076 9.7277 9.7277 9.7426 9.7426 10.1789 10.1789 10.4652 10.4652 k = 0.3266-0.8037-1.4652 ( 3824 PWs) bands (ev): -41.8188 -41.8188 -41.8178 -41.8178 -20.8639 -20.8639 -20.8555 -20.8555 -20.4179 -20.4179 -20.3485 -20.3485 -20.3330 -20.3330 -20.2788 -20.2788 -8.3279 -8.3279 -8.3209 -8.3209 1.9449 1.9449 2.0141 2.0141 2.3742 2.3742 2.5762 2.5762 3.0468 3.0468 3.1250 3.1250 3.3387 3.3387 3.3909 3.3909 7.1086 7.1086 9.7346 9.7346 9.7464 9.7464 10.1962 10.1962 10.4784 10.4785 k = 0.3321-0.8173-1.4901 ( 3816 PWs) bands (ev): -41.8184 -41.8184 -41.8182 -41.8182 -20.8638 -20.8638 -20.8556 -20.8556 -20.4180 -20.4180 -20.3481 -20.3481 -20.3333 -20.3333 -20.2789 -20.2789 -8.3262 -8.3262 -8.3219 -8.3219 1.9688 1.9688 2.0052 2.0052 2.3500 2.3500 2.5777 2.5777 3.0648 3.0648 3.1205 3.1205 3.3384 3.3384 3.3819 3.3819 7.1100 7.1100 9.7362 9.7362 9.7478 9.7478 10.2083 10.2083 10.4889 10.4889 k = 0.3376-0.8309-1.5149 ( 3818 PWs) bands (ev): -41.8186 -41.8186 -41.8180 -41.8180 -20.8638 -20.8638 -20.8555 -20.8555 -20.4179 -20.4179 -20.3483 -20.3483 -20.3332 -20.3332 -20.2788 -20.2788 -8.3262 -8.3262 -8.3222 -8.3222 1.9694 1.9694 2.0082 2.0082 2.3341 2.3341 2.5870 2.5870 3.0803 3.0803 3.1175 3.1175 3.3388 3.3388 3.3725 3.3725 7.1115 7.1115 9.7330 9.7330 9.7444 9.7444 10.2164 10.2164 10.4971 10.4972 k = 0.6624-0.7332-1.4570 ( 3818 PWs) bands (ev): -41.8186 -41.8186 -41.8180 -41.8180 -20.8638 -20.8638 -20.8555 -20.8555 -20.4179 -20.4179 -20.3483 -20.3483 -20.3332 -20.3332 -20.2788 -20.2788 -8.3262 -8.3262 -8.3222 -8.3222 1.9694 1.9694 2.0082 2.0082 2.3341 2.3341 2.5870 2.5870 3.0803 3.0803 3.1175 3.1175 3.3388 3.3388 3.3725 3.3725 7.1115 7.1115 9.7330 9.7330 9.7444 9.7444 10.2164 10.2164 10.4972 10.4980 k = 0.6570-0.7055-1.4570 ( 3822 PWs) bands (ev): -41.8190 -41.8190 -41.8177 -41.8177 -20.8640 -20.8640 -20.8554 -20.8554 -20.4178 -20.4178 -20.3488 -20.3488 -20.3325 -20.3325 -20.2786 -20.2786 -8.3281 -8.3281 -8.3215 -8.3215 1.9501 1.9501 2.0178 2.0178 2.3295 2.3295 2.6030 2.6030 3.0923 3.0923 3.1166 3.1166 3.3393 3.3393 3.3636 3.3636 7.1129 7.1129 9.7235 9.7235 9.7369 9.7369 10.2230 10.2230 10.5038 10.5039 k = 0.6515-0.6778-1.4570 ( 3828 PWs) bands (ev): -41.8193 -41.8193 -41.8174 -41.8174 -20.8642 -20.8642 -20.8551 -20.8551 -20.4176 -20.4176 -20.3498 -20.3498 -20.3315 -20.3315 -20.2783 -20.2783 -8.3306 -8.3306 -8.3209 -8.3209 1.9241 1.9241 2.0195 2.0195 2.3378 2.3378 2.6248 2.6248 3.0997 3.0997 3.1194 3.1194 3.3385 3.3385 3.3564 3.3564 7.1143 7.1143 9.7043 9.7043 9.7284 9.7284 10.2315 10.2315 10.5098 10.5098 k = 0.6461-0.6501-1.4570 ( 3832 PWs) bands (ev): -41.8197 -41.8197 -41.8171 -41.8171 -20.8644 -20.8644 -20.8548 -20.8548 -20.4173 -20.4173 -20.3510 -20.3510 -20.3301 -20.3301 -20.2778 -20.2778 -8.3337 -8.3337 -8.3206 -8.3206 1.8946 1.8946 2.0113 2.0113 2.3588 2.3588 2.6514 2.6514 3.1026 3.1026 3.1259 3.1259 3.3336 3.3336 3.3540 3.3540 7.1154 7.1154 9.6756 9.6756 9.7193 9.7193 10.2440 10.2440 10.5157 10.5157 k = 0.6407-0.6224-1.4570 ( 3828 PWs) bands (ev): -41.8201 -41.8201 -41.8168 -41.8168 -20.8647 -20.8647 -20.8545 -20.8545 -20.4169 -20.4169 -20.3523 -20.3523 -20.3285 -20.3285 -20.2771 -20.2771 -8.3370 -8.3370 -8.3206 -8.3206 1.8629 1.8629 1.9951 1.9951 2.3899 2.3899 2.6819 2.6819 3.1038 3.1038 3.1335 3.1335 3.3253 3.3253 3.3558 3.3558 7.1163 7.1163 9.6393 9.6393 9.7092 9.7092 10.2612 10.2612 10.5220 10.5220 k = 0.6353-0.5947-1.4570 ( 3830 PWs) bands (ev): -41.8205 -41.8205 -41.8166 -41.8166 -20.8650 -20.8650 -20.8541 -20.8541 -20.4163 -20.4163 -20.3538 -20.3538 -20.3268 -20.3268 -20.2763 -20.2763 -8.3406 -8.3406 -8.3210 -8.3210 1.8296 1.8296 1.9736 1.9736 2.4283 2.4283 2.7151 2.7151 3.1048 3.1048 3.1406 3.1406 3.3159 3.3159 3.3594 3.3594 7.1168 7.1168 9.5970 9.5970 9.6981 9.6981 10.2829 10.2829 10.5289 10.5289 k = 0.6299-0.5670-1.4570 ( 3830 PWs) bands (ev): -41.8209 -41.8209 -41.8164 -41.8164 -20.8653 -20.8653 -20.8537 -20.8537 -20.4158 -20.4158 -20.3554 -20.3554 -20.3250 -20.3250 -20.2754 -20.2754 -8.3445 -8.3445 -8.3217 -8.3217 1.7954 1.7954 1.9489 1.9489 2.4716 2.4716 2.7500 2.7500 3.1063 3.1063 3.1469 3.1469 3.3067 3.3067 3.3640 3.3640 7.1168 7.1168 9.5503 9.5503 9.6863 9.6863 10.3085 10.3085 10.5365 10.5365 k = 0.6245-0.5393-1.4570 ( 3828 PWs) bands (ev): -41.8213 -41.8213 -41.8162 -41.8162 -20.8657 -20.8657 -20.8533 -20.8533 -20.4151 -20.4151 -20.3569 -20.3569 -20.3231 -20.3231 -20.2743 -20.2743 -8.3485 -8.3485 -8.3227 -8.3227 1.7608 1.7608 1.9225 1.9225 2.5182 2.5182 2.7858 2.7858 3.1085 3.1085 3.1526 3.1526 3.2982 3.2982 3.3692 3.3692 7.1163 7.1163 9.5006 9.5006 9.6741 9.6741 10.3372 10.3372 10.5450 10.5450 k = 0.6191-0.5116-1.4570 ( 3834 PWs) bands (ev): -41.8217 -41.8217 -41.8160 -41.8160 -20.8661 -20.8661 -20.8529 -20.8529 -20.4144 -20.4144 -20.3585 -20.3585 -20.3212 -20.3212 -20.2731 -20.2731 -8.3528 -8.3528 -8.3240 -8.3240 1.7262 1.7262 1.8952 1.8952 2.5670 2.5670 2.8211 2.8211 3.1114 3.1114 3.1578 3.1578 3.2910 3.2910 3.3748 3.3748 7.1153 7.1153 9.4488 9.4488 9.6616 9.6616 10.3682 10.3682 10.5542 10.5542 k = 0.6137-0.4839-1.4570 ( 3820 PWs) bands (ev): -41.8221 -41.8221 -41.8158 -41.8158 -20.8664 -20.8664 -20.8525 -20.8525 -20.4136 -20.4136 -20.3601 -20.3601 -20.3193 -20.3193 -20.2718 -20.2718 -8.3571 -8.3571 -8.3254 -8.3254 1.6919 1.6919 1.8677 1.8677 2.6170 2.6170 2.8549 2.8549 3.1152 3.1152 3.1630 3.1630 3.2858 3.2858 3.3810 3.3810 7.1139 7.1139 9.3958 9.3958 9.6491 9.6491 10.4010 10.4010 10.5642 10.5642 k = 0.6082-0.4562-1.4570 ( 3816 PWs) bands (ev): -41.8225 -41.8225 -41.8157 -41.8157 -20.8668 -20.8668 -20.8522 -20.8522 -20.4128 -20.4128 -20.3616 -20.3616 -20.3174 -20.3174 -20.2703 -20.2703 -8.3615 -8.3615 -8.3271 -8.3271 1.6581 1.6581 1.8404 1.8404 2.6675 2.6675 2.8857 2.8857 3.1197 3.1197 3.1685 3.1685 3.2835 3.2835 3.3874 3.3874 7.1119 7.1119 9.3423 9.3423 9.6367 9.6367 10.4351 10.4351 10.5750 10.5751 k = 0.6028-0.4285-1.4570 ( 3814 PWs) bands (ev): -41.8229 -41.8229 -41.8155 -41.8155 -20.8671 -20.8671 -20.8518 -20.8518 -20.4120 -20.4120 -20.3631 -20.3631 -20.3155 -20.3155 -20.2688 -20.2688 -8.3660 -8.3660 -8.3289 -8.3289 1.6250 1.6250 1.8137 1.8137 2.7180 2.7180 2.9122 2.9122 3.1244 3.1244 3.1744 3.1744 3.2853 3.2853 3.3943 3.3943 7.1094 7.1094 9.2887 9.2887 9.6247 9.6247 10.4701 10.4701 10.5867 10.5867 k = 0.5974-0.4008-1.4570 ( 3816 PWs) bands (ev): -41.8233 -41.8233 -41.8154 -41.8154 -20.8675 -20.8675 -20.8516 -20.8516 -20.4111 -20.4111 -20.3646 -20.3646 -20.3137 -20.3137 -20.2672 -20.2672 -8.3705 -8.3705 -8.3309 -8.3309 1.5929 1.5929 1.7876 1.7876 2.7677 2.7677 2.9338 2.9338 3.1289 3.1289 3.1805 3.1805 3.2930 3.2930 3.4015 3.4015 7.1064 7.1064 9.2355 9.2355 9.6130 9.6130 10.5055 10.5055 10.5993 10.5993 k = 0.5920-0.3731-1.4570 ( 3822 PWs) bands (ev): -41.8236 -41.8236 -41.8153 -41.8153 -20.8679 -20.8679 -20.8513 -20.8513 -20.4103 -20.4103 -20.3661 -20.3661 -20.3119 -20.3119 -20.2656 -20.2656 -8.3749 -8.3749 -8.3329 -8.3329 1.5619 1.5619 1.7624 1.7624 2.8158 2.8158 2.9501 2.9501 3.1329 3.1329 3.1859 3.1859 3.3080 3.3080 3.4090 3.4090 7.1029 7.1029 9.1830 9.1830 9.6017 9.6017 10.5410 10.5410 10.6128 10.6128 k = 0.5866-0.3454-1.4570 ( 3826 PWs) bands (ev): -41.8240 -41.8240 -41.8152 -41.8152 -20.8683 -20.8683 -20.8511 -20.8511 -20.4094 -20.4094 -20.3674 -20.3674 -20.3102 -20.3102 -20.2639 -20.2639 -8.3793 -8.3793 -8.3350 -8.3350 1.5320 1.5320 1.7383 1.7383 2.8613 2.8613 2.9620 2.9620 3.1364 3.1364 3.1900 3.1900 3.3304 3.3304 3.4170 3.4170 7.0991 7.0991 9.1315 9.1315 9.5909 9.5909 10.5765 10.5765 10.6274 10.6274 k = 0.5812-0.3178-1.4570 ( 3816 PWs) bands (ev): -41.8243 -41.8243 -41.8151 -41.8151 -20.8686 -20.8686 -20.8509 -20.8509 -20.4085 -20.4085 -20.3687 -20.3687 -20.3086 -20.3086 -20.2621 -20.2621 -8.3836 -8.3836 -8.3372 -8.3372 1.5035 1.5035 1.7153 1.7153 2.9023 2.9023 2.9717 2.9717 3.1399 3.1399 3.1928 3.1928 3.3590 3.3590 3.4254 3.4254 7.0951 7.0951 9.0814 9.0814 9.5807 9.5807 10.6115 10.6115 10.6431 10.6431 k = 0.5758-0.2901-1.4570 ( 3814 PWs) bands (ev): -41.8246 -41.8246 -41.8150 -41.8150 -20.8690 -20.8690 -20.8507 -20.8507 -20.4077 -20.4077 -20.3700 -20.3700 -20.3070 -20.3070 -20.2604 -20.2604 -8.3878 -8.3878 -8.3393 -8.3393 1.4764 1.4764 1.6934 1.6934 2.9337 2.9337 2.9837 2.9837 3.1443 3.1443 3.1948 3.1948 3.3920 3.3920 3.4344 3.4344 7.0908 7.0908 9.0329 9.0329 9.5709 9.5709 10.6456 10.6456 10.6605 10.6605 k = 0.5704-0.2624-1.4570 ( 3818 PWs) bands (ev): -41.8250 -41.8250 -41.8150 -41.8150 -20.8693 -20.8693 -20.8505 -20.8505 -20.4069 -20.4069 -20.3711 -20.3711 -20.3056 -20.3056 -20.2587 -20.2587 -8.3918 -8.3918 -8.3415 -8.3415 1.4508 1.4508 1.6728 1.6728 2.9495 2.9495 3.0038 3.0038 3.1506 3.1506 3.1965 3.1965 3.4273 3.4273 3.4442 3.4442 7.0863 7.0863 8.9862 8.9862 9.5617 9.5617 10.6744 10.6744 10.6836 10.6836 k = 0.5649-0.2347-1.4570 ( 3812 PWs) bands (ev): -41.8252 -41.8252 -41.8149 -41.8149 -20.8697 -20.8697 -20.8504 -20.8504 -20.4061 -20.4061 -20.3722 -20.3722 -20.3042 -20.3042 -20.2570 -20.2570 -8.3956 -8.3956 -8.3435 -8.3435 1.4268 1.4268 1.6536 1.6536 2.9538 2.9538 3.0269 3.0269 3.1602 3.1602 3.1985 3.1985 3.4526 3.4526 3.4657 3.4657 7.0818 7.0818 8.9416 8.9416 9.5531 9.5531 10.6949 10.6949 10.7152 10.7152 k = 0.5595-0.2070-1.4570 ( 3808 PWs) bands (ev): -41.8255 -41.8255 -41.8149 -41.8149 -20.8700 -20.8700 -20.8503 -20.8503 -20.4054 -20.4054 -20.3732 -20.3732 -20.3029 -20.3029 -20.2554 -20.2554 -8.3993 -8.3993 -8.3455 -8.3455 1.4045 1.4045 1.6357 1.6357 2.9535 2.9535 3.0455 3.0455 3.1731 3.1731 3.2014 3.2014 3.4638 3.4638 3.5020 3.5020 7.0772 7.0772 8.8994 8.8994 9.5450 9.5450 10.7150 10.7150 10.7474 10.7474 k = 0.5541-0.1793-1.4570 ( 3818 PWs) bands (ev): -41.8258 -41.8258 -41.8148 -41.8148 -20.8703 -20.8703 -20.8502 -20.8502 -20.4047 -20.4047 -20.3742 -20.3742 -20.3017 -20.3017 -20.2538 -20.2538 -8.4027 -8.4027 -8.3475 -8.3475 1.3839 1.3839 1.6192 1.6192 2.9512 2.9512 3.0578 3.0578 3.1866 3.1866 3.2078 3.2078 3.4752 3.4752 3.5379 3.5379 7.0727 7.0727 8.8597 8.8597 9.5375 9.5375 10.7357 10.7357 10.7787 10.7787 k = 0.5487-0.1516-1.4570 ( 3818 PWs) bands (ev): -41.8260 -41.8260 -41.8148 -41.8148 -20.8706 -20.8706 -20.8501 -20.8501 -20.4041 -20.4041 -20.3750 -20.3750 -20.3006 -20.3006 -20.2524 -20.2524 -8.4058 -8.4058 -8.3493 -8.3493 1.3651 1.3651 1.6041 1.6041 2.9480 2.9480 3.0649 3.0649 3.1945 3.1945 3.2218 3.2218 3.4870 3.4870 3.5723 3.5723 7.0684 7.0684 8.8229 8.8229 9.5305 9.5305 10.7571 10.7571 10.8089 10.8089 k = 0.5433-0.1239-1.4570 ( 3820 PWs) bands (ev): -41.8262 -41.8262 -41.8148 -41.8148 -20.8708 -20.8708 -20.8501 -20.8501 -20.4035 -20.4035 -20.3758 -20.3758 -20.2996 -20.2996 -20.2510 -20.2510 -8.4087 -8.4087 -8.3509 -8.3509 1.3482 1.3482 1.5906 1.5906 2.9445 2.9445 3.0685 3.0685 3.1980 3.1980 3.2399 3.2399 3.4992 3.4992 3.6045 3.6045 7.0643 7.0643 8.7892 8.7892 9.5243 9.5243 10.7789 10.7789 10.8377 10.8377 k = 0.5379-0.0962-1.4570 ( 3822 PWs) bands (ev): -41.8264 -41.8264 -41.8148 -41.8148 -20.8711 -20.8711 -20.8500 -20.8500 -20.4030 -20.4030 -20.3764 -20.3764 -20.2987 -20.2987 -20.2498 -20.2498 -8.4113 -8.4113 -8.3525 -8.3525 1.3331 1.3331 1.5786 1.5786 2.9408 2.9408 3.0700 3.0700 3.2003 3.2003 3.2577 3.2577 3.5116 3.5116 3.6342 3.6342 7.0605 7.0605 8.7588 8.7588 9.5186 9.5186 10.8006 10.8006 10.8648 10.8648 k = 0.5325-0.0685-1.4570 ( 3822 PWs) bands (ev): -41.8266 -41.8266 -41.8147 -41.8147 -20.8713 -20.8713 -20.8500 -20.8500 -20.4025 -20.4025 -20.3770 -20.3770 -20.2980 -20.2980 -20.2487 -20.2487 -8.4136 -8.4136 -8.3538 -8.3538 1.3200 1.3200 1.5681 1.5681 2.9373 2.9373 3.0703 3.0703 3.2020 3.2020 3.2736 3.2736 3.5237 3.5237 3.6607 3.6607 7.0571 7.0571 8.7319 8.7319 9.5136 9.5136 10.8220 10.8220 10.8900 10.8900 k = 0.5271-0.0408-1.4570 ( 3824 PWs) bands (ev): -41.8267 -41.8267 -41.8147 -41.8147 -20.8715 -20.8715 -20.8500 -20.8500 -20.4022 -20.4022 -20.3775 -20.3775 -20.2973 -20.2973 -20.2477 -20.2477 -8.4156 -8.4156 -8.3550 -8.3550 1.3088 1.3088 1.5593 1.5593 2.9342 2.9342 3.0701 3.0701 3.2035 3.2035 3.2870 3.2870 3.5350 3.5350 3.6838 3.6838 7.0541 7.0541 8.7088 8.7088 9.5094 9.5094 10.8423 10.8423 10.9126 10.9126 k = 0.5216-0.0131-1.4570 ( 3828 PWs) bands (ev): -41.8268 -41.8268 -41.8147 -41.8147 -20.8717 -20.8717 -20.8500 -20.8500 -20.4019 -20.4019 -20.3779 -20.3779 -20.2968 -20.2968 -20.2469 -20.2469 -8.4172 -8.4172 -8.3559 -8.3559 1.2996 1.2996 1.5520 1.5520 2.9314 2.9314 3.0695 3.0695 3.2046 3.2046 3.2978 3.2978 3.5451 3.5451 3.7031 3.7031 7.0516 7.0516 8.6896 8.6896 9.5058 9.5058 10.8610 10.8610 10.9323 10.9323 k = 0.5162 0.0146-1.4570 ( 3832 PWs) bands (ev): -41.8269 -41.8269 -41.8147 -41.8147 -20.8718 -20.8718 -20.8500 -20.8500 -20.4016 -20.4016 -20.3782 -20.3782 -20.2964 -20.2964 -20.2463 -20.2463 -8.4184 -8.4184 -8.3567 -8.3567 1.2924 1.2924 1.5463 1.5463 2.9292 2.9292 3.0688 3.0688 3.2055 3.2055 3.3060 3.3060 3.5535 3.5535 3.7184 3.7184 7.0497 7.0497 8.6745 8.6745 9.5030 9.5030 10.8770 10.8770 10.9485 10.9485 k = 0.5108 0.0423-1.4570 ( 3832 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4014 -20.4014 -20.3784 -20.3784 -20.2961 -20.2961 -20.2459 -20.2459 -8.4193 -8.4193 -8.3572 -8.3572 1.2873 1.2873 1.5422 1.5422 2.9276 2.9276 3.0683 3.0683 3.2062 3.2062 3.3118 3.3118 3.5598 3.5598 3.7295 3.7295 7.0482 7.0482 8.6636 8.6636 9.5011 9.5011 10.8896 10.8896 10.9605 10.9605 k = 0.5054 0.0700-1.4570 ( 3828 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2959 -20.2959 -20.2456 -20.2456 -8.4199 -8.4199 -8.3576 -8.3576 1.2842 1.2842 1.5398 1.5398 2.9266 2.9266 3.0679 3.0679 3.2066 3.2066 3.3152 3.3152 3.5637 3.5637 3.7362 3.7362 7.0473 7.0473 8.6571 8.6571 9.4999 9.4999 10.8977 10.8977 10.9680 10.9680 k = 0.5000 0.0977-1.4570 ( 3838 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8500 -20.8500 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4201 -8.4201 -8.3577 -8.3577 1.2832 1.2832 1.5389 1.5389 2.9263 2.9263 3.0678 3.0678 3.2068 3.2068 3.3163 3.3163 3.5650 3.5650 3.7385 3.7385 7.0470 7.0470 8.6548 8.6548 9.4994 9.4994 10.9004 10.9004 10.9705 10.9705 k = 0.5000 0.0977-1.4570 ( 3838 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8500 -20.8500 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4201 -8.4201 -8.3577 -8.3577 1.2832 1.2832 1.5389 1.5389 2.9263 2.9263 3.0678 3.0678 3.2068 3.2068 3.3163 3.3163 3.5650 3.5650 3.7385 3.7385 7.0470 7.0470 8.6548 8.6548 9.4994 9.4994 10.9004 10.9004 10.9705 10.9705 k = 0.5232 0.1022-1.4488 ( 3834 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4201 -8.4201 -8.3577 -8.3577 1.2827 1.2827 1.5398 1.5398 2.9257 2.9257 3.0658 3.0658 3.2082 3.2082 3.3173 3.3173 3.5652 3.5652 3.7384 3.7384 7.0466 7.0466 8.6547 8.6547 9.4996 9.4996 10.9003 10.9003 10.9705 10.9705 k = 0.5464 0.1068-1.4405 ( 3828 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4201 -8.4201 -8.3577 -8.3577 1.2812 1.2812 1.5422 1.5422 2.9241 2.9241 3.0602 3.0602 3.2121 3.2121 3.3202 3.3202 3.5655 3.5655 3.7382 3.7382 7.0456 7.0456 8.6543 8.6543 9.5001 9.5001 10.9000 10.9000 10.9704 10.9705 k = 0.5696 0.1113-1.4323 ( 3828 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3785 -20.3785 -20.2958 -20.2958 -20.2455 -20.2455 -8.4202 -8.4202 -8.3578 -8.3578 1.2788 1.2788 1.5462 1.5462 2.9212 2.9212 3.0519 3.0519 3.2178 3.2178 3.3251 3.3251 3.5659 3.5659 3.7379 3.7379 7.0438 7.0438 8.6537 8.6537 9.5010 9.5010 10.8995 10.8995 10.9704 10.9704 k = 0.5928 0.1158-1.4240 ( 3830 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8720 -20.8720 -20.8498 -20.8498 -20.4013 -20.4013 -20.3785 -20.3785 -20.2958 -20.2958 -20.2454 -20.2454 -8.4203 -8.4203 -8.3580 -8.3580 1.2757 1.2757 1.5516 1.5516 2.9171 2.9171 3.0418 3.0418 3.2242 3.2242 3.3319 3.3319 3.5666 3.5666 3.7374 3.7374 7.0414 7.0414 8.6528 8.6528 9.5021 9.5021 10.8988 10.8988 10.9703 10.9703 k = 0.6160 0.1204-1.4157 ( 3828 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8498 -20.8498 -20.4013 -20.4013 -20.3784 -20.3784 -20.2958 -20.2958 -20.2454 -20.2454 -8.4205 -8.4205 -8.3581 -8.3581 1.2720 1.2720 1.5582 1.5582 2.9115 2.9115 3.0310 3.0310 3.2308 3.2308 3.3406 3.3406 3.5675 3.5675 3.7369 3.7369 7.0384 7.0384 8.6517 8.6517 9.5035 9.5035 10.8978 10.8978 10.9701 10.9701 k = 0.6392 0.1249-1.4075 ( 3828 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8497 -20.8497 -20.4013 -20.4013 -20.3784 -20.3784 -20.2958 -20.2958 -20.2454 -20.2454 -8.4207 -8.4207 -8.3584 -8.3584 1.2678 1.2678 1.5658 1.5658 2.9043 2.9043 3.0201 3.0201 3.2371 3.2371 3.3509 3.3509 3.5685 3.5685 3.7362 3.7362 7.0349 7.0349 8.6505 8.6505 9.5052 9.5052 10.8967 10.8967 10.9700 10.9700 k = 0.6624 0.1294-1.3992 ( 3823 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8496 -20.8496 -20.4013 -20.4013 -20.3783 -20.3783 -20.2958 -20.2958 -20.2454 -20.2454 -8.4209 -8.4209 -8.3586 -8.3586 1.2634 1.2634 1.5741 1.5741 2.8953 2.8953 3.0100 3.0100 3.2429 3.2429 3.3627 3.3627 3.5697 3.5697 3.7354 3.7354 7.0309 7.0309 8.6490 8.6490 9.5071 9.5071 10.8954 10.8954 10.9697 10.9697 k = 0.6624 0.1294-1.3992 ( 3823 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8496 -20.8496 -20.4013 -20.4013 -20.3783 -20.3783 -20.2958 -20.2958 -20.2454 -20.2454 -8.4209 -8.4209 -8.3586 -8.3586 1.2634 1.2634 1.5741 1.5741 2.8953 2.8953 3.0100 3.0100 3.2429 3.2429 3.3627 3.3627 3.5697 3.5697 3.7354 3.7354 7.0309 7.0309 8.6490 8.6490 9.5071 9.5071 10.8954 10.8954 10.9697 10.9697 k = 0.6592 0.1288-1.3706 ( 3819 PWs) bands (ev): -41.8273 -41.8273 -41.8147 -41.8147 -20.8719 -20.8719 -20.8490 -20.8490 -20.4014 -20.4014 -20.3777 -20.3777 -20.2956 -20.2956 -20.2452 -20.2452 -8.4235 -8.4235 -8.3596 -8.3596 1.2631 1.2631 1.5797 1.5797 2.8731 2.8731 3.0393 3.0393 3.2500 3.2500 3.3475 3.3475 3.5708 3.5708 3.7373 3.7373 7.0379 7.0379 8.6526 8.6526 9.5045 9.5045 10.8847 10.8847 10.9676 10.9677 k = 0.6560 0.1282-1.3421 ( 3823 PWs) bands (ev): -41.8275 -41.8275 -41.8147 -41.8147 -20.8720 -20.8720 -20.8481 -20.8481 -20.4015 -20.4015 -20.3769 -20.3769 -20.2955 -20.2955 -20.2449 -20.2449 -8.4272 -8.4272 -8.3614 -8.3614 1.2634 1.2634 1.5884 1.5884 2.8488 2.8488 3.0664 3.0664 3.2411 3.2411 3.3520 3.3520 3.5728 3.5728 3.7400 3.7400 7.0474 7.0474 8.6578 8.6578 9.5010 9.5010 10.8694 10.8694 10.9610 10.9618 k = 0.6528 0.1276-1.3135 ( 3832 PWs) bands (ev): -41.8278 -41.8278 -41.8146 -41.8146 -20.8720 -20.8720 -20.8469 -20.8469 -20.4016 -20.4016 -20.3758 -20.3758 -20.2952 -20.2952 -20.2446 -20.2446 -8.4321 -8.4321 -8.3640 -8.3640 1.2642 1.2642 1.6002 1.6002 2.8232 2.8232 3.0900 3.0900 3.2198 3.2198 3.3735 3.3735 3.5758 3.5758 3.7434 3.7434 7.0593 7.0593 8.6647 8.6647 9.4967 9.4967 10.8499 10.8499 10.9280 10.9281 k = 0.6496 0.1269-1.2849 ( 3834 PWs) bands (ev): -41.8282 -41.8282 -41.8146 -41.8146 -20.8719 -20.8719 -20.8454 -20.8454 -20.4018 -20.4018 -20.3745 -20.3745 -20.2949 -20.2949 -20.2441 -20.2441 -8.4381 -8.4381 -8.3673 -8.3673 1.2654 1.2654 1.6151 1.6151 2.7966 2.7966 3.1063 3.1063 3.1986 3.1986 3.4032 3.4032 3.5797 3.5797 3.7477 3.7477 7.0734 7.0734 8.6732 8.6732 9.4914 9.4914 10.8269 10.8269 10.8815 10.8815 k = 0.6465 0.1263-1.2563 ( 3838 PWs) bands (ev): -41.8286 -41.8286 -41.8146 -41.8146 -20.8719 -20.8719 -20.8436 -20.8436 -20.4019 -20.4019 -20.3729 -20.3729 -20.2945 -20.2945 -20.2436 -20.2436 -8.4451 -8.4451 -8.3714 -8.3714 1.2669 1.2669 1.6331 1.6331 2.7692 2.7692 3.1047 3.1047 3.1925 3.1925 3.4369 3.4369 3.5846 3.5846 3.7527 3.7527 7.0898 7.0898 8.6832 8.6832 9.4854 9.4854 10.8007 10.8007 10.8308 10.8308 k = 0.6433 0.1257-1.2278 ( 3835 PWs) bands (ev): -41.8291 -41.8291 -41.8146 -41.8146 -20.8717 -20.8717 -20.8416 -20.8416 -20.4019 -20.4019 -20.3711 -20.3711 -20.2941 -20.2941 -20.2430 -20.2430 -8.4531 -8.4531 -8.3763 -8.3763 1.2682 1.2682 1.6541 1.6541 2.7409 2.7409 3.0828 3.0828 3.2060 3.2060 3.4727 3.4727 3.5904 3.5904 3.7585 3.7585 7.1083 7.1083 8.6948 8.6948 9.4784 9.4784 10.7712 10.7712 10.7777 10.7777 k = 0.6401 0.1251-1.1992 ( 3846 PWs) bands (ev): -41.8297 -41.8297 -41.8146 -41.8146 -20.8716 -20.8716 -20.8394 -20.8394 -20.4019 -20.4019 -20.3691 -20.3691 -20.2935 -20.2935 -20.2423 -20.2423 -8.4621 -8.4621 -8.3819 -8.3819 1.2693 1.2693 1.6782 1.6782 2.7119 2.7119 3.0521 3.0521 3.2286 3.2286 3.5095 3.5095 3.5973 3.5973 3.7650 3.7650 7.1288 7.1288 8.7078 8.7078 9.4706 9.4706 10.7214 10.7214 10.7404 10.7404 k = 0.6369 0.1245-1.1706 ( 3846 PWs) bands (ev): -41.8303 -41.8303 -41.8146 -41.8146 -20.8713 -20.8713 -20.8371 -20.8371 -20.4019 -20.4019 -20.3669 -20.3669 -20.2928 -20.2928 -20.2416 -20.2416 -8.4720 -8.4720 -8.3883 -8.3883 1.2700 1.2700 1.7052 1.7052 2.6819 2.6819 3.0194 3.0194 3.2550 3.2550 3.5465 3.5465 3.6056 3.6056 3.7723 3.7723 7.1514 7.1514 8.7223 8.7223 9.4619 9.4619 10.6645 10.6645 10.7064 10.7064 k = 0.6337 0.1238-1.1421 ( 3848 PWs) bands (ev): -41.8310 -41.8310 -41.8146 -41.8146 -20.8710 -20.8710 -20.8345 -20.8345 -20.4018 -20.4018 -20.3646 -20.3646 -20.2921 -20.2921 -20.2407 -20.2407 -8.4827 -8.4827 -8.3955 -8.3955 1.2699 1.2699 1.7351 1.7351 2.6507 2.6507 2.9870 2.9870 3.2834 3.2834 3.5821 3.5821 3.6166 3.6166 3.7803 3.7803 7.1760 7.1760 8.7380 8.7380 9.4524 9.4524 10.6067 10.6067 10.6706 10.6706 k = 0.6305 0.1232-1.1135 ( 3848 PWs) bands (ev): -41.8317 -41.8317 -41.8146 -41.8146 -20.8706 -20.8706 -20.8318 -20.8318 -20.4016 -20.4016 -20.3621 -20.3621 -20.2912 -20.2912 -20.2399 -20.2399 -8.4943 -8.4943 -8.4034 -8.4034 1.2688 1.2688 1.7678 1.7678 2.6183 2.6183 2.9564 2.9564 3.3134 3.3134 3.6096 3.6096 3.6365 3.6365 3.7891 3.7891 7.2025 7.2025 8.7550 8.7550 9.4420 9.4420 10.5482 10.5482 10.6330 10.6330 k = 0.6273 0.1226-1.0849 ( 3848 PWs) bands (ev): -41.8324 -41.8324 -41.8147 -41.8147 -20.8702 -20.8702 -20.8289 -20.8289 -20.4013 -20.4013 -20.3595 -20.3595 -20.2901 -20.2901 -20.2390 -20.2390 -8.5065 -8.5065 -8.4119 -8.4119 1.2664 1.2664 1.8032 1.8032 2.5844 2.5844 2.9285 2.9285 3.3447 3.3447 3.6250 3.6250 3.6694 3.6694 3.7987 3.7987 7.2307 7.2307 8.7732 8.7732 9.4308 9.4308 10.4895 10.4895 10.5940 10.5940 k = 0.6242 0.1220-1.0564 ( 3854 PWs) bands (ev): -41.8332 -41.8332 -41.8147 -41.8147 -20.8697 -20.8697 -20.8259 -20.8259 -20.4010 -20.4010 -20.3567 -20.3567 -20.2890 -20.2890 -20.2380 -20.2380 -8.5195 -8.5195 -8.4212 -8.4212 1.2624 1.2624 1.8413 1.8413 2.5488 2.5488 2.9041 2.9041 3.3771 3.3771 3.6371 3.6371 3.7061 3.7061 3.8093 3.8093 7.2608 7.2608 8.7925 8.7925 9.4187 9.4188 10.4308 10.4308 10.5536 10.5536 k = 0.6210 0.1213-1.0278 ( 3856 PWs) bands (ev): -41.8341 -41.8341 -41.8148 -41.8148 -20.8691 -20.8691 -20.8228 -20.8228 -20.4006 -20.4006 -20.3539 -20.3539 -20.2877 -20.2877 -20.2370 -20.2370 -8.5330 -8.5330 -8.4311 -8.4311 1.2566 1.2566 1.8819 1.8819 2.5114 2.5114 2.8837 2.8837 3.4106 3.4106 3.6489 3.6489 3.7430 3.7430 3.8213 3.8213 7.2926 7.2926 8.8128 8.8128 9.4059 9.4059 10.3723 10.3723 10.5123 10.5123 k = 0.6178 0.1207-0.9992 ( 3858 PWs) bands (ev): -41.8349 -41.8349 -41.8149 -41.8149 -20.8686 -20.8686 -20.8195 -20.8195 -20.4001 -20.4001 -20.3509 -20.3509 -20.2862 -20.2862 -20.2360 -20.2360 -8.5471 -8.5471 -8.4416 -8.4416 1.2487 1.2487 1.9249 1.9249 2.4724 2.4724 2.8679 2.8679 3.4451 3.4451 3.6612 3.6612 3.7784 3.7784 3.8356 3.8356 7.3261 7.3261 8.8340 8.8340 9.3923 9.3923 10.3143 10.3143 10.4702 10.4702 k = 0.6146 0.1201-0.9707 ( 3858 PWs) bands (ev): -41.8358 -41.8358 -41.8151 -41.8151 -20.8679 -20.8679 -20.8162 -20.8162 -20.3996 -20.3996 -20.3478 -20.3478 -20.2846 -20.2846 -20.2349 -20.2349 -8.5617 -8.5617 -8.4526 -8.4526 1.2386 1.2386 1.9702 1.9702 2.4318 2.4318 2.8570 2.8570 3.4803 3.4803 3.6740 3.6740 3.8096 3.8096 3.8548 3.8548 7.3613 7.3613 8.8561 8.8561 9.3781 9.3781 10.2569 10.2569 10.4275 10.4275 k = 0.6114 0.1195-0.9421 ( 3855 PWs) bands (ev): -41.8367 -41.8367 -41.8152 -41.8152 -20.8673 -20.8673 -20.8128 -20.8128 -20.3990 -20.3990 -20.3446 -20.3446 -20.2829 -20.2829 -20.2339 -20.2339 -8.5768 -8.5768 -8.4642 -8.4642 1.2260 1.2260 2.0175 2.0175 2.3900 2.3900 2.8511 2.8511 3.5163 3.5163 3.6875 3.6875 3.8331 3.8331 3.8821 3.8821 7.3981 7.3981 8.8788 8.8788 9.3631 9.3631 10.2003 10.2003 10.3844 10.3844 k = 0.6082 0.1189-0.9135 ( 3857 PWs) bands (ev): -41.8376 -41.8376 -41.8154 -41.8154 -20.8666 -20.8666 -20.8093 -20.8093 -20.3983 -20.3983 -20.3414 -20.3414 -20.2810 -20.2810 -20.2328 -20.2328 -8.5922 -8.5922 -8.4762 -8.4762 1.2110 1.2110 2.0667 2.0667 2.3473 2.3473 2.8503 2.8503 3.5528 3.5528 3.7016 3.7016 3.8506 3.8506 3.9160 3.9160 7.4365 7.4365 8.9023 8.9023 9.3475 9.3475 10.1447 10.1447 10.3412 10.3412 k = 0.6051 0.1182-0.8849 ( 3855 PWs) bands (ev): -41.8385 -41.8385 -41.8156 -41.8156 -20.8659 -20.8659 -20.8058 -20.8058 -20.3976 -20.3976 -20.3381 -20.3381 -20.2789 -20.2789 -20.2317 -20.2317 -8.6080 -8.6080 -8.4887 -8.4887 1.1934 1.1934 2.1169 2.1169 2.3046 2.3046 2.8544 2.8544 3.5896 3.5896 3.7164 3.7164 3.8655 3.8655 3.9526 3.9526 7.4765 7.4765 8.9263 8.9263 9.3315 9.3315 10.0902 10.0902 10.2978 10.2978 k = 0.6019 0.1176-0.8564 ( 3855 PWs) bands (ev): -41.8395 -41.8395 -41.8158 -41.8158 -20.8653 -20.8653 -20.8023 -20.8023 -20.3969 -20.3969 -20.3347 -20.3347 -20.2767 -20.2767 -20.2306 -20.2306 -8.6240 -8.6240 -8.5015 -8.5015 1.1733 1.1733 2.1651 2.1651 2.2652 2.2652 2.8635 2.8635 3.6264 3.6264 3.7321 3.7321 3.8796 3.8796 3.9903 3.9903 7.5181 7.5181 8.9508 8.9508 9.3150 9.3150 10.0369 10.0369 10.2547 10.2547 k = 0.5987 0.1170-0.8278 ( 3849 PWs) bands (ev): -41.8404 -41.8404 -41.8160 -41.8160 -20.8646 -20.8646 -20.7987 -20.7987 -20.3961 -20.3961 -20.3312 -20.3312 -20.2743 -20.2743 -20.2294 -20.2294 -8.6402 -8.6402 -8.5147 -8.5147 1.1509 1.1509 2.1861 2.1861 2.2545 2.2545 2.8772 2.8772 3.6627 3.6627 3.7489 3.7489 3.8934 3.8934 4.0282 4.0282 7.5613 7.5613 8.9756 8.9756 9.2981 9.2981 9.9851 9.9851 10.2118 10.2118 k = 0.5955 0.1164-0.7992 ( 3853 PWs) bands (ev): -41.8414 -41.8414 -41.8162 -41.8162 -20.8639 -20.8639 -20.7951 -20.7951 -20.3952 -20.3952 -20.3278 -20.3278 -20.2718 -20.2718 -20.2283 -20.2283 -8.6566 -8.6566 -8.5281 -8.5281 1.1261 1.1261 2.1545 2.1545 2.2978 2.2978 2.8955 2.8955 3.6978 3.6978 3.7673 3.7673 3.9072 3.9072 4.0661 4.0661 7.6059 7.6059 9.0006 9.0006 9.2810 9.2810 9.9348 9.9348 10.1694 10.1694 k = 0.5923 0.1157-0.7707 ( 3865 PWs) bands (ev): -41.8424 -41.8424 -41.8165 -41.8165 -20.8633 -20.8633 -20.7916 -20.7916 -20.3944 -20.3944 -20.3243 -20.3243 -20.2692 -20.2692 -20.2272 -20.2272 -8.6731 -8.6731 -8.5417 -8.5417 1.0994 1.0994 2.1116 2.1116 2.3540 2.3540 2.9179 2.9179 3.7306 3.7306 3.7881 3.7881 3.9211 3.9211 4.1037 4.1037 7.6520 7.6520 9.0258 9.0258 9.2638 9.2638 9.8862 9.8862 10.1275 10.1275 k = 0.5891 0.1151-0.7421 ( 3861 PWs) bands (ev): -41.8433 -41.8433 -41.8167 -41.8167 -20.8627 -20.8627 -20.7880 -20.7880 -20.3934 -20.3934 -20.3207 -20.3207 -20.2664 -20.2664 -20.2261 -20.2261 -8.6896 -8.6896 -8.5555 -8.5555 1.0709 1.0709 2.0670 2.0670 2.4136 2.4136 2.9444 2.9444 3.7595 3.7595 3.8127 3.8127 3.9352 3.9352 4.1409 4.1409 7.6998 7.6998 9.0510 9.0510 9.2465 9.2465 9.8394 9.8394 10.0863 10.0863 k = 0.5860 0.1145-0.7135 ( 3863 PWs) bands (ev): -41.8443 -41.8443 -41.8170 -41.8170 -20.8621 -20.8621 -20.7845 -20.7845 -20.3925 -20.3925 -20.3171 -20.3171 -20.2636 -20.2636 -20.2249 -20.2249 -8.7061 -8.7061 -8.5694 -8.5694 1.0408 1.0408 2.0221 2.0221 2.4752 2.4752 2.9745 2.9745 3.7840 3.7840 3.8413 3.8413 3.9496 3.9496 4.1775 4.1775 7.7488 7.7488 9.0761 9.0761 9.2293 9.2293 9.7946 9.7946 10.0459 10.0459 k = 0.5828 0.1139-0.6850 ( 3863 PWs) bands (ev): -41.8452 -41.8452 -41.8173 -41.8173 -20.8615 -20.8615 -20.7810 -20.7810 -20.3915 -20.3915 -20.3135 -20.3135 -20.2606 -20.2606 -20.2238 -20.2238 -8.7225 -8.7225 -8.5834 -8.5834 1.0095 1.0095 1.9774 1.9774 2.5384 2.5384 3.0080 3.0080 3.8051 3.8051 3.8724 3.8724 3.9644 3.9644 4.2132 4.2132 7.7993 7.7993 9.1010 9.1010 9.2124 9.2124 9.7518 9.7518 10.0064 10.0064 k = 0.5796 0.1133-0.6564 ( 3855 PWs) bands (ev): -41.8462 -41.8462 -41.8175 -41.8175 -20.8609 -20.8609 -20.7776 -20.7776 -20.3905 -20.3905 -20.3099 -20.3099 -20.2576 -20.2576 -20.2226 -20.2226 -8.7388 -8.7388 -8.5973 -8.5973 0.9772 0.9772 1.9332 1.9332 2.6030 2.6030 3.0445 3.0445 3.8243 3.8243 3.9041 3.9041 3.9798 3.9798 4.2480 4.2480 7.8512 7.8512 9.1254 9.1254 9.1959 9.1959 9.7112 9.7112 9.9679 9.9679 k = 0.5764 0.1126-0.6278 ( 3853 PWs) bands (ev): -41.8471 -41.8471 -41.8178 -41.8178 -20.8604 -20.8604 -20.7742 -20.7742 -20.3895 -20.3895 -20.3062 -20.3062 -20.2546 -20.2546 -20.2214 -20.2214 -8.7549 -8.7549 -8.6112 -8.6112 0.9442 0.9442 1.8895 1.8895 2.6686 2.6686 3.0838 3.0838 3.8424 3.8424 3.9346 3.9346 3.9965 3.9965 4.2816 4.2816 7.9044 7.9044 9.1487 9.1487 9.1805 9.1805 9.6728 9.6728 9.9305 9.9305 k = 0.5732 0.1120-0.5993 ( 3858 PWs) bands (ev): -41.8481 -41.8481 -41.8181 -41.8181 -20.8599 -20.8599 -20.7709 -20.7709 -20.3886 -20.3886 -20.3026 -20.3026 -20.2516 -20.2516 -20.2202 -20.2202 -8.7707 -8.7707 -8.6250 -8.6250 0.9107 0.9107 1.8467 1.8467 2.7353 2.7353 3.1255 3.1255 3.8599 3.8599 3.9623 3.9623 4.0153 4.0153 4.3138 4.3138 7.9588 7.9588 9.1601 9.1601 9.1767 9.1767 9.6368 9.6368 9.8942 9.8942 k = 0.5700 0.1114-0.5707 ( 3856 PWs) bands (ev): -41.8490 -41.8490 -41.8184 -41.8184 -20.8595 -20.8595 -20.7677 -20.7677 -20.3876 -20.3876 -20.2990 -20.2990 -20.2486 -20.2486 -20.2190 -20.2190 -8.7863 -8.7863 -8.6387 -8.6387 0.8770 0.8770 1.8049 1.8049 2.8028 2.8028 3.1694 3.1694 3.8770 3.8770 3.9858 3.9858 4.0372 4.0372 4.3444 4.3444 8.0142 8.0142 9.1473 9.1473 9.1969 9.1969 9.6032 9.6032 9.8591 9.8591 k = 0.5669 0.1108-0.5421 ( 3856 PWs) bands (ev): -41.8498 -41.8498 -41.8187 -41.8187 -20.8591 -20.8591 -20.7645 -20.7645 -20.3866 -20.3866 -20.2954 -20.2954 -20.2457 -20.2457 -20.2177 -20.2177 -8.8015 -8.8015 -8.6521 -8.6521 0.8434 0.8434 1.7641 1.7641 2.8711 2.8711 3.2151 3.2151 3.8938 3.8938 4.0050 4.0050 4.0618 4.0618 4.3731 4.3731 8.0706 8.0706 9.1333 9.1333 9.2180 9.2180 9.5722 9.5722 9.8253 9.8253 k = 0.5637 0.1101-0.5135 ( 3858 PWs) bands (ev): -41.8507 -41.8507 -41.8190 -41.8190 -20.8588 -20.8588 -20.7615 -20.7615 -20.3856 -20.3856 -20.2918 -20.2918 -20.2429 -20.2429 -20.2163 -20.2163 -8.8164 -8.8164 -8.6653 -8.6653 0.8101 0.8101 1.7244 1.7244 2.9398 2.9398 3.2623 3.2623 3.9102 3.9102 4.0210 4.0210 4.0877 4.0877 4.3998 4.3998 8.1280 8.1280 9.1199 9.1199 9.2381 9.2381 9.5438 9.5438 9.7928 9.7928 k = 0.5605 0.1095-0.4850 ( 3860 PWs) bands (ev): -41.8515 -41.8515 -41.8193 -41.8193 -20.8585 -20.8585 -20.7586 -20.7586 -20.3847 -20.3847 -20.2883 -20.2883 -20.2402 -20.2402 -20.2149 -20.2149 -8.8308 -8.8308 -8.6782 -8.6782 0.7772 0.7772 1.6861 1.6861 3.0090 3.0090 3.3109 3.3109 3.9264 3.9264 4.0351 4.0351 4.1136 4.1136 4.4241 4.4241 8.1860 8.1860 9.1073 9.1073 9.2568 9.2568 9.5181 9.5181 9.7616 9.7616 k = 0.5573 0.1089-0.4564 ( 3860 PWs) bands (ev): -41.8523 -41.8523 -41.8196 -41.8196 -20.8582 -20.8582 -20.7558 -20.7558 -20.3837 -20.3837 -20.2848 -20.2848 -20.2378 -20.2378 -20.2133 -20.2133 -8.8447 -8.8447 -8.6907 -8.6907 0.7450 0.7450 1.6491 1.6491 3.0785 3.0785 3.3604 3.3604 3.9422 3.9422 4.0479 4.0479 4.1385 4.1385 4.4459 4.4459 8.2447 8.2447 9.0957 9.0957 9.2736 9.2736 9.4952 9.4952 9.7319 9.7319 k = 0.5541 0.1083-0.4278 ( 3860 PWs) bands (ev): -41.8531 -41.8531 -41.8199 -41.8199 -20.8580 -20.8580 -20.7531 -20.7531 -20.3828 -20.3828 -20.2814 -20.2814 -20.2356 -20.2356 -20.2116 -20.2116 -8.8582 -8.8582 -8.7028 -8.7028 0.7137 0.7137 1.6136 1.6136 3.1481 3.1481 3.4107 3.4107 3.9576 3.9576 4.0597 4.0597 4.1619 4.1619 4.4649 4.4649 8.3037 8.3037 9.0850 9.0850 9.2884 9.2884 9.4751 9.4751 9.7035 9.7035 k = 0.5509 0.1077-0.3993 ( 3871 PWs) bands (ev): -41.8539 -41.8539 -41.8202 -41.8202 -20.8578 -20.8578 -20.7506 -20.7506 -20.3820 -20.3820 -20.2780 -20.2780 -20.2336 -20.2336 -20.2099 -20.2099 -8.8711 -8.8711 -8.7145 -8.7145 0.6834 0.6834 1.5796 1.5796 3.2176 3.2176 3.4615 3.4615 3.9726 3.9726 4.0706 4.0706 4.1834 4.1834 4.4809 4.4809 8.3630 8.3630 9.0753 9.0753 9.3006 9.3006 9.4581 9.4581 9.6765 9.6765 k = 0.5478 0.1070-0.3707 ( 3869 PWs) bands (ev): -41.8546 -41.8546 -41.8205 -41.8205 -20.8576 -20.8576 -20.7481 -20.7481 -20.3811 -20.3811 -20.2747 -20.2747 -20.2319 -20.2319 -20.2080 -20.2080 -8.8834 -8.8834 -8.7257 -8.7257 0.6543 0.6543 1.5473 1.5473 3.2869 3.2869 3.5125 3.5125 3.9871 3.9871 4.0808 4.0808 4.2028 4.2028 4.4936 4.4936 8.4222 8.4222 9.0668 9.0668 9.3100 9.3100 9.4444 9.4444 9.6511 9.6511 k = 0.5446 0.1064-0.3421 ( 3869 PWs) bands (ev): -41.8553 -41.8553 -41.8207 -41.8207 -20.8574 -20.8574 -20.7458 -20.7458 -20.3803 -20.3803 -20.2715 -20.2715 -20.2305 -20.2305 -20.2059 -20.2059 -8.8950 -8.8950 -8.7363 -8.7363 0.6265 0.6265 1.5168 1.5168 3.3559 3.3559 3.5635 3.5635 4.0012 4.0012 4.0902 4.0902 4.2199 4.2199 4.5030 4.5030 8.4810 8.4810 9.0592 9.0592 9.3159 9.3159 9.4344 9.4344 9.6271 9.6271 k = 0.5414 0.1058-0.3136 ( 3869 PWs) bands (ev): -41.8559 -41.8559 -41.8210 -41.8210 -20.8573 -20.8573 -20.7437 -20.7437 -20.3795 -20.3795 -20.2683 -20.2683 -20.2294 -20.2294 -20.2039 -20.2039 -8.9060 -8.9060 -8.7464 -8.7464 0.6001 0.6001 1.4880 1.4880 3.4242 3.4242 3.6143 3.6143 4.0147 4.0147 4.0989 4.0989 4.2345 4.2345 4.5088 4.5088 8.5393 8.5393 9.0528 9.0528 9.3182 9.3182 9.4280 9.4280 9.6045 9.6045 k = 0.5382 0.1052-0.2850 ( 3873 PWs) bands (ev): -41.8565 -41.8565 -41.8212 -41.8212 -20.8573 -20.8573 -20.7417 -20.7417 -20.3788 -20.3788 -20.2653 -20.2653 -20.2285 -20.2285 -20.2018 -20.2018 -8.9164 -8.9164 -8.7559 -8.7559 0.5753 0.5753 1.4610 1.4610 3.4917 3.4917 3.6647 3.6647 4.0276 4.0276 4.1069 4.1069 4.2465 4.2465 4.5109 4.5109 8.5966 8.5966 9.0473 9.0473 9.3171 9.3171 9.4251 9.4251 9.5835 9.5835 k = 0.5350 0.1045-0.2564 ( 3866 PWs) bands (ev): -41.8571 -41.8571 -41.8214 -41.8214 -20.8572 -20.8572 -20.7398 -20.7398 -20.3781 -20.3781 -20.2624 -20.2624 -20.2278 -20.2278 -20.1997 -20.1997 -8.9260 -8.9260 -8.7648 -8.7648 0.5521 0.5521 1.4360 1.4360 3.5582 3.5582 3.7143 3.7143 4.0398 4.0398 4.1142 4.1142 4.2558 4.2558 4.5092 4.5092 8.6526 8.6526 9.0428 9.0428 9.3131 9.3131 9.4251 9.4251 9.5639 9.5639 k = 0.5318 0.1039-0.2278 ( 3857 PWs) bands (ev): -41.8576 -41.8576 -41.8216 -41.8216 -20.8571 -20.8571 -20.7381 -20.7381 -20.3775 -20.3775 -20.2596 -20.2596 -20.2273 -20.2273 -20.1977 -20.1977 -8.9348 -8.9348 -8.7730 -8.7730 0.5307 0.5307 1.4130 1.4130 3.6234 3.6234 3.7631 3.7631 4.0514 4.0514 4.1207 4.1207 4.2623 4.2623 4.5037 4.5037 8.7070 8.7070 9.0393 9.0393 9.3072 9.3072 9.4270 9.4270 9.5459 9.5459 k = 0.5287 0.1033-0.1993 ( 3855 PWs) bands (ev): -41.8581 -41.8581 -41.8218 -41.8218 -20.8571 -20.8571 -20.7365 -20.7365 -20.3769 -20.3769 -20.2569 -20.2569 -20.2270 -20.2270 -20.1957 -20.1957 -8.9429 -8.9429 -8.7805 -8.7805 0.5110 0.5110 1.3920 1.3920 3.6868 3.6868 3.8109 3.8109 4.0623 4.0623 4.1265 4.1265 4.2659 4.2659 4.4942 4.4942 8.7591 8.7591 9.0365 9.0365 9.3000 9.3000 9.4303 9.4303 9.5294 9.5294 k = 0.5255 0.1027-0.1707 ( 3863 PWs) bands (ev): -41.8585 -41.8585 -41.8220 -41.8220 -20.8571 -20.8571 -20.7351 -20.7351 -20.3764 -20.3764 -20.2545 -20.2545 -20.2269 -20.2269 -20.1940 -20.1940 -8.9502 -8.9502 -8.7873 -8.7873 0.4933 0.4933 1.3730 1.3730 3.7482 3.7482 3.8575 3.8575 4.0723 4.0723 4.1317 4.1317 4.2667 4.2667 4.4809 4.4809 8.8085 8.8085 9.0345 9.0345 9.2922 9.2922 9.4341 9.4341 9.5145 9.5145 k = 0.5223 0.1021-0.1421 ( 3857 PWs) bands (ev): -41.8589 -41.8589 -41.8222 -41.8222 -20.8570 -20.8570 -20.7339 -20.7339 -20.3759 -20.3759 -20.2522 -20.2522 -20.2269 -20.2269 -20.1923 -20.1923 -8.9567 -8.9567 -8.7934 -8.7934 0.4775 0.4775 1.3562 1.3562 3.8071 3.8071 3.9030 3.9030 4.0815 4.0815 4.1364 4.1364 4.2646 4.2646 4.4638 4.4638 8.8546 8.8546 9.0331 9.0331 9.2841 9.2841 9.4382 9.4382 9.5012 9.5012 k = 0.5191 0.1014-0.1136 ( 3852 PWs) bands (ev): -41.8592 -41.8592 -41.8223 -41.8223 -20.8570 -20.8570 -20.7328 -20.7328 -20.3755 -20.3755 -20.2500 -20.2500 -20.2270 -20.2270 -20.1909 -20.1909 -8.9623 -8.9623 -8.7987 -8.7987 0.4637 0.4637 1.3416 1.3416 3.8625 3.8625 3.9472 3.9472 4.0899 4.0899 4.1406 4.1406 4.2597 4.2597 4.4430 4.4430 8.8970 8.8970 9.0323 9.0323 9.2761 9.2761 9.4423 9.4423 9.4895 9.4895 k = 0.5159 0.1008-0.0850 ( 3838 PWs) bands (ev): -41.8595 -41.8595 -41.8224 -41.8224 -20.8570 -20.8570 -20.7319 -20.7319 -20.3751 -20.3751 -20.2481 -20.2481 -20.2271 -20.2271 -20.1896 -20.1896 -8.9672 -8.9672 -8.8032 -8.8032 0.4519 0.4519 1.3292 1.3292 3.9138 3.9138 3.9902 3.9902 4.0975 4.0975 4.1447 4.1447 4.2522 4.2522 4.4188 4.4188 8.9348 8.9348 9.0319 9.0319 9.2684 9.2684 9.4462 9.4462 9.4795 9.4795 k = 0.5127 0.1002-0.0564 ( 3841 PWs) bands (ev): -41.8597 -41.8597 -41.8225 -41.8225 -20.8570 -20.8570 -20.7311 -20.7311 -20.3748 -20.3748 -20.2465 -20.2465 -20.2274 -20.2274 -20.1886 -20.1886 -8.9711 -8.9711 -8.8069 -8.8069 0.4423 0.4423 1.3190 1.3190 3.9595 3.9595 4.0306 4.0306 4.1049 4.1049 4.1491 4.1491 4.2423 4.2423 4.3915 4.3915 8.9674 8.9674 9.0319 9.0319 9.2612 9.2612 9.4496 9.4496 9.4712 9.4712 k = 0.5096 0.0996-0.0279 ( 3834 PWs) bands (ev): -41.8599 -41.8599 -41.8226 -41.8226 -20.8569 -20.8569 -20.7305 -20.7305 -20.3746 -20.3746 -20.2451 -20.2451 -20.2277 -20.2277 -20.1877 -20.1877 -8.9742 -8.9742 -8.8098 -8.8098 0.4347 0.4347 1.3110 1.3110 3.9990 3.9990 4.0643 4.0643 4.1154 4.1154 4.1545 4.1545 4.2306 4.2306 4.3618 4.3618 8.9939 8.9939 9.0322 9.0322 9.2549 9.2549 9.4524 9.4524 9.4647 9.4647 k = 0.5064 0.0989 0.0007 ( 3836 PWs) bands (ev): -41.8600 -41.8600 -41.8226 -41.8226 -20.8569 -20.8569 -20.7301 -20.7301 -20.3744 -20.3744 -20.2441 -20.2441 -20.2279 -20.2279 -20.1871 -20.1871 -8.9764 -8.9764 -8.8118 -8.8118 0.4293 0.4293 1.3053 1.3053 4.0313 4.0313 4.0812 4.0812 4.1351 4.1351 4.1630 4.1630 4.2181 4.2181 4.3311 4.3311 9.0131 9.0131 9.0331 9.0331 9.2498 9.2498 9.4544 9.4544 9.4600 9.4600 k = 0.5032 0.0983 0.0293 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7299 -20.7299 -20.3743 -20.3743 -20.2434 -20.2434 -20.2281 -20.2281 -20.1867 -20.1867 -8.9777 -8.9777 -8.8131 -8.8131 0.4260 0.4260 1.3019 1.3019 4.0559 4.0559 4.0822 4.0822 4.1533 4.1533 4.1783 4.1783 4.2074 4.2074 4.3032 4.3032 9.0235 9.0235 9.0353 9.0353 9.2465 9.2465 9.4556 9.4556 9.4573 9.4573 k = 0.5000 0.0977 0.0578 ( 3836 PWs) bands (ev): -41.8601 -41.8601 -41.8227 -41.8227 -20.8570 -20.8570 -20.7298 -20.7298 -20.3743 -20.3743 -20.2432 -20.2432 -20.2282 -20.2282 -20.1866 -20.1866 -8.9782 -8.9782 -8.8135 -8.8135 0.4250 0.4250 1.3007 1.3007 4.0700 4.0700 4.0761 4.0761 4.1592 4.1592 4.1882 4.1882 4.2038 4.2038 4.2899 4.2899 9.0260 9.0260 9.0370 9.0370 9.2453 9.2453 9.4557 9.4557 9.4567 9.4567 k = 0.5000-1.2305-0.7285 ( 3826 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4176 -8.4176 -8.3603 -8.3603 1.2251 1.2251 1.6586 1.6586 2.7994 2.7994 2.8941 2.8941 3.2405 3.2405 3.5552 3.5552 3.5839 3.5839 3.7221 3.7221 6.9593 6.9593 8.6236 8.6236 9.5394 9.5394 10.9038 10.9038 10.9704 10.9705 k = 0.5271-1.2224-0.7237 ( 3830 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4176 -8.4176 -8.3603 -8.3603 1.2254 1.2254 1.6578 1.6578 2.8009 2.8009 2.8945 2.8945 3.2405 3.2405 3.5535 3.5535 3.5838 3.5838 3.7222 3.7222 6.9601 6.9601 8.6238 8.6238 9.5391 9.5391 10.9037 10.9037 10.9704 10.9704 k = 0.5541-1.2142-0.7189 ( 3832 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4177 -8.4177 -8.3602 -8.3602 1.2263 1.2263 1.6552 1.6552 2.8052 2.8052 2.8957 2.8957 3.2406 3.2406 3.5485 3.5485 3.5835 3.5835 3.7225 3.7225 6.9622 6.9622 8.6246 8.6246 9.5380 9.5380 10.9035 10.9035 10.9704 10.9704 k = 0.5812-1.2061-0.7141 ( 3840 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8720 -20.8720 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4179 -8.4179 -8.3601 -8.3601 1.2278 1.2278 1.6511 1.6511 2.8122 2.8122 2.8978 2.8978 3.2408 3.2408 3.5403 3.5403 3.5829 3.5829 3.7230 3.7230 6.9658 6.9658 8.6258 8.6258 9.5364 9.5364 10.9031 10.9031 10.9704 10.9704 k = 0.6082-1.1979-0.7092 ( 3839 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8720 -20.8720 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4181 -8.4181 -8.3600 -8.3600 1.2300 1.2300 1.6455 1.6455 2.8216 2.8216 2.9010 2.9010 3.2410 3.2410 3.5292 3.5292 3.5819 3.5819 3.7238 3.7238 6.9707 6.9707 8.6275 8.6275 9.5341 9.5341 10.9026 10.9026 10.9704 10.9704 k = 0.6353-1.1898-0.7044 ( 3836 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8720 -20.8720 -20.8499 -20.8499 -20.4013 -20.4013 -20.3786 -20.3786 -20.2958 -20.2958 -20.2455 -20.2455 -8.4184 -8.4184 -8.3598 -8.3598 1.2327 1.2327 1.6387 1.6387 2.8328 2.8328 2.9056 2.9056 3.2413 3.2413 3.5151 3.5151 3.5807 3.5807 3.7248 3.7248 6.9768 6.9768 8.6296 8.6296 9.5314 9.5314 10.9020 10.9020 10.9703 10.9703 k = 0.6624-1.1817-0.6996 ( 3828 PWs) bands (ev): -41.8270 -41.8270 -41.8147 -41.8147 -20.8719 -20.8719 -20.8499 -20.8499 -20.4013 -20.4013 -20.3785 -20.3785 -20.2958 -20.2958 -20.2454 -20.2454 -8.4187 -8.4187 -8.3596 -8.3596 1.2359 1.2359 1.6307 1.6307 2.8450 2.8450 2.9120 2.9120 3.2419 3.2419 3.4983 3.4983 3.5792 3.5792 3.7261 3.7261 6.9837 6.9837 8.6320 8.6320 9.5283 9.5283 10.9012 10.9012 10.9703 10.9703 k = 0.6894-1.1735-0.6948 ( 3825 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8498 -20.8498 -20.4013 -20.4013 -20.3785 -20.3785 -20.2958 -20.2958 -20.2454 -20.2454 -8.4190 -8.4190 -8.3594 -8.3594 1.2397 1.2397 1.6219 1.6219 2.8571 2.8571 2.9211 2.9211 3.2424 3.2424 3.4791 3.4791 3.5776 3.5776 3.7275 3.7275 6.9914 6.9914 8.6346 8.6346 9.5248 9.5248 10.9004 10.9004 10.9702 10.9702 k = 0.7165-1.1654-0.6900 ( 3819 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8498 -20.8498 -20.4013 -20.4013 -20.3784 -20.3784 -20.2958 -20.2958 -20.2454 -20.2454 -8.4194 -8.4194 -8.3592 -8.3592 1.2439 1.2439 1.6125 1.6125 2.8680 2.8680 2.9335 2.9335 3.2431 3.2431 3.4577 3.4577 3.5759 3.5759 3.7291 3.7291 6.9994 6.9994 8.6375 8.6375 9.5212 9.5212 10.8995 10.8995 10.9701 10.9702 k = 0.7436-1.1572-0.6851 ( 3824 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8497 -20.8497 -20.4013 -20.4013 -20.3784 -20.3784 -20.2958 -20.2958 -20.2454 -20.2454 -8.4198 -8.4198 -8.3590 -8.3590 1.2485 1.2485 1.6028 1.6028 2.8770 2.8770 2.9493 2.9493 3.2437 3.2437 3.4345 3.4345 3.5742 3.5742 3.7307 3.7307 7.0076 7.0076 8.6404 8.6404 9.5175 9.5175 10.8985 10.8985 10.9701 10.9701 k = 0.7706-1.1491-0.6803 ( 3822 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8497 -20.8497 -20.4013 -20.4013 -20.3784 -20.3784 -20.2958 -20.2958 -20.2454 -20.2454 -8.4202 -8.4202 -8.3588 -8.3588 1.2533 1.2533 1.5929 1.5929 2.8843 2.8843 2.9680 2.9680 3.2442 3.2442 3.4103 3.4103 3.5725 3.5725 3.7323 3.7323 7.0158 7.0158 8.6434 8.6434 9.5138 9.5138 10.8975 10.8975 10.9700 10.9700 k = 0.7977-1.1409-0.6755 ( 3826 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8497 -20.8497 -20.4013 -20.4013 -20.3784 -20.3784 -20.2958 -20.2958 -20.2454 -20.2454 -8.4206 -8.4206 -8.3587 -8.3587 1.2583 1.2583 1.5833 1.5833 2.8903 2.8903 2.9886 2.9886 3.2442 3.2442 3.3859 3.3859 3.5710 3.5710 3.7339 3.7339 7.0236 7.0236 8.6463 8.6463 9.5103 9.5103 10.8965 10.8965 10.9699 10.9699 k = 0.8247-1.1328-0.6707 ( 3823 PWs) bands (ev): -41.8271 -41.8271 -41.8147 -41.8147 -20.8719 -20.8719 -20.8496 -20.8496 -20.4013 -20.4013 -20.3783 -20.3783 -20.2958 -20.2958 -20.2454 -20.2454 -8.4209 -8.4209 -8.3586 -8.3586 1.2634 1.2634 1.5741 1.5741 2.8953 2.8953 3.0100 3.0100 3.2429 3.2429 3.3627 3.3627 3.5697 3.5697 3.7354 3.7354 7.0309 7.0309 8.6490 8.6490 9.5071 9.5071 10.8954 10.8954 10.9697 10.9697 Writing output data file ScHCl.save init_run : 0.58s CPU 0.76s WALL ( 1 calls) electrons : 572.92s CPU 577.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 572.92s CPU 577.32s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.03s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 332 calls) cegterg : 533.88s CPU 537.05s WALL ( 841 calls) Called by sum_band: Called by *egterg: h_psi : 461.84s CPU 464.56s WALL ( 14341 calls) s_psi : 7.10s CPU 7.00s WALL ( 14341 calls) g_psi : 0.27s CPU 0.28s WALL ( 13168 calls) cdiaghg : 77.37s CPU 78.22s WALL ( 13500 calls) cegterg:over : 8.10s CPU 8.12s WALL ( 13168 calls) cegterg:upda : 8.73s CPU 8.51s WALL ( 13168 calls) cegterg:last : 2.73s CPU 2.90s WALL ( 1841 calls) cdiaghg:chol : 4.54s CPU 4.63s WALL ( 13500 calls) cdiaghg:inve : 2.84s CPU 2.80s WALL ( 13500 calls) cdiaghg:para : 4.56s CPU 4.35s WALL ( 27000 calls) Called by h_psi: h_psi:vloc : 443.99s CPU 446.58s WALL ( 14341 calls) h_psi:vnl : 17.63s CPU 17.71s WALL ( 14341 calls) add_vuspsi : 8.81s CPU 8.72s WALL ( 14341 calls) General routines calbec : 8.78s CPU 8.95s WALL ( 14341 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 390.47s CPU 392.23s WALL ( 1026892 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.17s WALL ( 664 calls) Parallel routines fft_scatter : 70.42s CPU 70.68s WALL ( 1026915 calls) PWSCF : 9m47.91s CPU 10m22.79s WALL This run was terminated on: 17:33:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=